A0A087Y1L3_POEFO Loading...

TBC1 domain family, member 19

AlphaFold DB , UniProt , Accession A0A087Y1L3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 525 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
1M49.3Very low69.5Low168 Ų16896.8 Ų96.883%0.82853%0.532SS*.  0142.20-86.2175.3-8300106.5E6M1-E6 HydrophobicContact CB-CG 4.15Å; M1-E6 WeakPolarHBondContact CB-OE1 3.44Å
2D56.3Low70.6Confident123 Ų12393.6 Ų93.666%0.65853%0.528SS*.  trans-71.2133.1-179.3-165.514.4000109.3G4 T5 E6D2-G4 PolarHBondContact O-N 3.35Å; D2-G4 VanDerWaalsContact O-N 3.09Å; D2-T5 WeakPolarHBondContact O-CB 3.42Å; D2-T5 PolarHBondContact O-N 3.46Å; D2-E6 PolarHBondContact O-N 3.39Å
3E57.6Low71.4Confident166 Ų16693.8 Ų93.878%0.77652%0.522SS*.Hα-helixtrans-54.6-34.1-173.7-76.2-176.7163.100112T5 E6 L7E3-T5 VanDerWaalsContact C-N 3.3Å; E3-T5 PolarHBondContact O-N 3.01Å; E3-E6 PolarHBondContact O-N 2.64Å; E3-L7 PolarHBondContact O-N 3.1Å
4G67.9Low72.4Confident41 Ų4187.9 Ų87.942%0.42349%0.489SS..Hα-helixtrans-66.4-27.7176.300000114.4D2 S8D2-G4 PolarHBondContact O-N 3.35Å; D2-G4 VanDerWaalsContact O-N 3.09Å; G4-S8 WeakPolarHBondContact O-CB 3.22Å; G4-S8 PolarHBondContact O-N 2.84Å; G4-S8 PolarHBondContact O-OG 3.03Å
5T68.4Low73.4Confident73 Ų7386.4 Ų86.445%0.44848%0.482SS..Hα-helixtrans-77.5-40.8178.4-54.40000111D2 E3 S8 L9D2-T5 WeakPolarHBondContact O-CB 3.42Å; D2-T5 PolarHBondContact O-N 3.46Å; E3-T5 VanDerWaalsContact C-N 3.3Å; E3-T5 PolarHBondContact O-N 3.01Å; T5-S8 PolarHBondContact O-N 3.08Å; T5-L9 HydrophobicContact CG2-CD1 4.4Å; T5-L9 WeakPolarHBondContact O-CG 3.1Å; T5-L9 PolarHBondContact O-N 3.19Å; T5-L9 VanDerWaalsContact O-N 3.1Å
6E69.6Low74.1Confident72 Ų7290 Ų9034%0.33649%0.494SS..Hα-helixtrans-64.6-44.2176.7-70.4-176.4-17900111.7M1 D2 E3 S8 L9 S10M1-E6 HydrophobicContact CB-CG 4.15Å; M1-E6 WeakPolarHBondContact CB-OE1 3.44Å; D2-E6 PolarHBondContact O-N 3.39Å; E3-E6 PolarHBondContact O-N 2.64Å; E6-S8 VanDerWaalsContact C-N 3.33Å; E6-S8 PolarHBondContact O-N 3.33Å; E6-L9 PolarHBondContact O-N 3.3Å; E6-S10 PolarHBondContact O-N 2.83Å; E6-S10 PolarHBondContact O-OG 2.83Å
7L76.4Confident74.6Confident112 Ų11288.8 Ų88.859%0.58648%0.481SS*.Hα-helixtrans-60.7-42.8176.4-177.664.7000112E3 L9 S10 I11E3-L7 PolarHBondContact O-N 3.1Å; L7-L9 PolarHBondContact O-N 3.25Å; L7-S10 PolarHBondContact O-N 3.3Å; L7-I11 HydrophobicContact CD1-CD1 4.32Å; L7-I11 HydrophobicContact CG-CD1 4Å; L7-I11 VanDerWaalsContact O-CG1 3.28Å; L7-I11 WeakPolarHBondContact O-CG1 3.32Å; L7-I11 PolarHBondContact O-N 2.93Å
8S79.6Confident75.3Confident76 Ų7684.9 Ų84.953%0.53146%0.46SS..Hα-helixtrans-63.1-40.1178.9-64.30000112.4G4 T5 E6 A12G4-S8 WeakPolarHBondContact O-CB 3.22Å; G4-S8 PolarHBondContact O-N 2.84Å; G4-S8 PolarHBondContact O-OG 3.03Å; T5-S8 PolarHBondContact O-N 3.08Å; E6-S8 VanDerWaalsContact C-N 3.33Å; E6-S8 PolarHBondContact O-N 3.33Å; S8-A12 WeakPolarHBondContact O-CB 3.36Å; S8-A12 PolarHBondContact O-N 2.97Å
9L77.6Confident75.8Confident111 Ų11187.4 Ų87.458%0.58147%0.465SS*.Hα-helixtrans-65.5-44.7175.7-72.5169000111.7T5 E6 L7 I11 A12 H13T5-L9 HydrophobicContact CG2-CD1 4.4Å; T5-L9 WeakPolarHBondContact O-CG 3.1Å; T5-L9 PolarHBondContact O-N 3.19Å; T5-L9 VanDerWaalsContact O-N 3.1Å; E6-L9 PolarHBondContact O-N 3.3Å; L7-L9 PolarHBondContact O-N 3.25Å; L9-I11 PolarHBondContact O-N 3.3Å; L9-A12 PolarHBondContact O-N 3.1Å; L9-H13 PolarHBondContact O-N 3.19Å
10S76.9Confident76Confident32 Ų3286.7 Ų86.722%0.22448%0.48CS..Hα-helixtrans-61.1-43.8176.9-63.10000111.7E6 L7 H13 I14E6-S10 PolarHBondContact O-N 2.83Å; E6-S10 PolarHBondContact O-OG 2.83Å; L7-S10 PolarHBondContact O-N 3.3Å; S10-H13 PolarHBondContact O-N 3.21Å; S10-I14 VanDerWaalsContact O-CG1 3.31Å; S10-I14 WeakPolarHBondContact O-CG1 3.21Å; S10-I14 PolarHBondContact O-N 3Å
11I84.5Confident76.3Confident91 Ų9184.1 Ų84.147%0.46747%0.468SS..Hα-helixtrans-60.3-47.8175-69.1167.7000110.7L7 L9 H13 I14 V15L7-I11 HydrophobicContact CD1-CD1 4.32Å; L7-I11 HydrophobicContact CG-CD1 4Å; L7-I11 VanDerWaalsContact O-CG1 3.28Å; L7-I11 WeakPolarHBondContact O-CG1 3.32Å; L7-I11 PolarHBondContact O-N 2.93Å; L9-I11 PolarHBondContact O-N 3.3Å; I11-H13 VanDerWaalsContact C-N 3.29Å; I11-H13 PolarHBondContact O-N 3.46Å; I11-I14 PolarHBondContact O-N 3.43Å; I11-V15 HydrophobicContact CG2-CG2 4.25Å; I11-V15 WeakPolarHBondContact O-CB 3.32Å; I11-V15 VanDerWaalsContact O-CG2 3.29Å; I11-V15 WeakPolarHBondContact O-CG2 3.48Å; I11-V15 PolarHBondContact O-N 3.31Å
12A83.3Confident77.9Confident58 Ų5880.8 Ų80.848%0.47945%0.45SS..Hα-helixtrans-58.9-41.7179.500000111.9S8 L9 V15 Q16S8-A12 WeakPolarHBondContact O-CB 3.36Å; S8-A12 PolarHBondContact O-N 2.97Å; L9-A12 PolarHBondContact O-N 3.1Å; A12-V15 PolarHBondContact O-N 3.32Å; A12-Q16 WeakPolarHBondContact O-CB 3.36Å; A12-Q16 PolarHBondContact O-N 3.26Å
13H81.1Confident79.4Confident96 Ų9676.3 Ų76.344%0.44443%0.426SS..Hα-helixtrans-64.5-45.9177.5-164.1106.2000112.3L9 S10 I11 V15 Q16 R17L9-H13 PolarHBondContact O-N 3.19Å; S10-H13 PolarHBondContact O-N 3.21Å; I11-H13 VanDerWaalsContact C-N 3.29Å; I11-H13 PolarHBondContact O-N 3.46Å; H13-V15 PolarHBondContact O-N 2.81Å; H13-Q16 PolarHBondContact O-N 3.26Å; H13-R17 PolarHBondContact O-N 3.39Å
14I85.6Confident80.9Confident12 Ų1272 Ų726%0.06241%0.406CS..Hα-helixtrans-60.8-47.3177.1-66167.7000110.1S10 I11 Q16 R17 L18 I66 E69 L70S10-I14 VanDerWaalsContact O-CG1 3.31Å; S10-I14 WeakPolarHBondContact O-CG1 3.21Å; S10-I14 PolarHBondContact O-N 3Å; I11-I14 PolarHBondContact O-N 3.43Å; I14-Q16 VanDerWaalsContact C-N 3.29Å; I14-Q16 PolarHBondContact O-N 3.18Å; I14-R17 PolarHBondContact O-N 3.39Å; I14-L18 HydrophobicContact CG2-CD1 3.71Å; I14-L18 HydrophobicContact CG2-CG 4.16Å; I14-L18 WeakPolarHBondContact O-CB 3.34Å; I14-L18 WeakPolarHBondContact O-CG 3.36Å; I14-L18 PolarHBondContact O-N 2.85Å; I14-I66 HydrophobicContact CD1-CG2 4.48Å; I14-I66 HydrophobicContact CG2-CG1 4.15Å; I14-I66 HydrophobicContact CG2-CG2 4.44Å; I14-E69 HydrophobicContact CG1-CB 4.4Å; I14-E69 HydrophobicContact CG2-CB 4.28Å; I14-L70 HydrophobicContact CD1-CD2 3.69Å; I14-L70 HydrophobicContact CD1-CG 4.16Å
15V87.1Confident81.8Confident65 Ų6573.2 Ų73.239%0.39441%0.408SS..Hα-helixtrans-59.7-41.8178.91700000110.9I11 A12 H13 L18 K19I11-V15 HydrophobicContact CG2-CG2 4.25Å; I11-V15 WeakPolarHBondContact O-CB 3.32Å; I11-V15 VanDerWaalsContact O-CG2 3.29Å; I11-V15 WeakPolarHBondContact O-CG2 3.48Å; I11-V15 PolarHBondContact O-N 3.31Å; A12-V15 PolarHBondContact O-N 3.32Å; H13-V15 PolarHBondContact O-N 2.81Å; V15-L18 PolarHBondContact O-N 3.1Å; V15-K19 HydrophobicContact CG1-CD 4.1Å; V15-K19 HydrophobicContact CG1-CG 4.31Å; V15-K19 WeakPolarHBondContact O-CB 3.41Å; V15-K19 VanDerWaalsContact O-CG 3.27Å; V15-K19 WeakPolarHBondContact O-CG 3.38Å; V15-K19 PolarHBondContact O-N 3.29Å
16Q85.1Confident82.8Confident144 Ų14471.8 Ų71.867%0.67340%0.396SS*.Hα-helixtrans-62.3-44.4177.3-174.6177.2-0.500112.1A12 H13 I14A12-Q16 WeakPolarHBondContact O-CB 3.36Å; A12-Q16 PolarHBondContact O-N 3.26Å; H13-Q16 PolarHBondContact O-N 3.26Å; I14-Q16 VanDerWaalsContact C-N 3.29Å; I14-Q16 PolarHBondContact O-N 3.18Å
17R82.7Confident83.8Confident69 Ų6969.7 Ų69.726%0.2639%0.387SS..Hα-helixtrans-64.3-44.4176.7-73.2-175.5571206.9111.9H13 I14 K19 G20 E69 E330H13-R17 PolarHBondContact O-N 3.39Å; I14-R17 PolarHBondContact O-N 3.39Å; R17-K19 PolarHBondContact O-N 3.39Å; R17-G20 PolarHBondContact O-N 3.09Å; R17-E69 WeakPolarHBondContact CD-OE2 3.36Å; R17-E69 IonicContact CZ-OE2 2.67Å; R17-E69 IonicContact NE-OE1 3.97Å; R17-E69 IonicContact NE-OE2 3.57Å; R17-E69 PolarHBondContact NE-OE2 3.27Å; R17-E69 IonicContact NH2-OE1 2.88Å; R17-E69 PolarHBondContact NH2-OE1 3.35Å; R17-E69 IonicContact NH2-OE2 3.09Å; R17-E69 PolarHBondContact NH2-OE2 3.44Å; R17-E330 IonicContact CZ-OE1 3.78Å; R17-E330 IonicContact NH1-OE1 3.19Å; R17-E330 IonicContact NH2-OE1 3.81Å; R17-E330 PolarHBondContact NH2-OE1 3.14Å
18L86.6Confident84.4Confident20 Ų2068.4 Ų68.411%0.10538%0.378CS..Hα-helixtrans-68.1-35.1179.6-68.8178.9000112.7I14 V15 G20 S21 H24 L62 A65 I66 E69I14-L18 HydrophobicContact CG2-CD1 3.71Å; I14-L18 HydrophobicContact CG2-CG 4.16Å; I14-L18 WeakPolarHBondContact O-CB 3.34Å; I14-L18 WeakPolarHBondContact O-CG 3.36Å; I14-L18 PolarHBondContact O-N 2.85Å; V15-L18 PolarHBondContact O-N 3.1Å; L18-G20 PolarHBondContact O-N 3.01Å; L18-S21 VanDerWaalsContact O-CB 3.24Å; L18-S21 WeakPolarHBondContact O-CB 3.47Å; L18-S21 PolarHBondContact O-N 3.26Å; L18-S21 PolarHBondContact O-OG 3.47Å; L18-H24 WeakPolarHBondContact O-CB 3.24Å; L18-L62 HydrophobicContact CD1-CD1 3.88Å; L18-A65 HydrophobicContact CD2-CB 3.96Å; L18-I66 HydrophobicContact CD1-CG1 3.73Å; L18-E69 HydrophobicContact CD2-CG 4.18Å
19K85.7Confident85Confident131 Ų13173.1 Ų73.157%0.5738%0.384SS*.Hα-helixtrans-57.8-32.5177.4-84.4177.3176.9-177.70113.6V15 R17 S21 H24V15-K19 HydrophobicContact CG1-CD 4.1Å; V15-K19 HydrophobicContact CG1-CG 4.31Å; V15-K19 WeakPolarHBondContact O-CB 3.41Å; V15-K19 VanDerWaalsContact O-CG 3.27Å; V15-K19 WeakPolarHBondContact O-CG 3.38Å; V15-K19 PolarHBondContact O-N 3.29Å; R17-K19 PolarHBondContact O-N 3.39Å; K19-S21 VanDerWaalsContact C-N 3.31Å; K19-H24 PolarHBondContact O-CD2 3.41Å
20G78.4Confident85.6Confident73 Ų7370.6 Ų70.675%0.75337%0.369SS*.THydrogen-bonded Turntrans-84.2-3175.400000114.3R17 L18R17-G20 PolarHBondContact O-N 3.09Å; L18-G20 PolarHBondContact O-N 3.01Å
21S83.2Confident86.1Confident34 Ų3470.2 Ų70.224%0.23837%0.368CS..SBendtrans-87154.3-173.777.90000112.4L18 K19 L23 H24 S25L18-S21 VanDerWaalsContact O-CB 3.24Å; L18-S21 WeakPolarHBondContact O-CB 3.47Å; L18-S21 PolarHBondContact O-N 3.26Å; L18-S21 PolarHBondContact O-OG 3.47Å; K19-S21 VanDerWaalsContact C-N 3.31Å; S21-L23 PolarHBondContact O-N 2.96Å; S21-L23 PolarHBondContact OG-N 2.84Å; S21-H24 WeakPolarHBondContact O-CB 3.43Å; S21-H24 PolarHBondContact O-N 3.34Å; S21-H24 PolarHBondContact OG-N 2.94Å; S21-S25 PolarHBondContact O-N 2.87Å
22H82.8Confident86.3Confident97 Ų9771 Ų7145%0.44937%0.368SS..Hα-helixtrans-58.3-31.5171.8179.3-106000112.8H24 S25 Q26 Q271H22-H24 VanDerWaalsContact C-N 3.28Å; H22-H24 PolarHBondContact O-N 3.45Å; H22-S25 PolarHBondContact O-N 3.16Å; H22-Q26 VanDerWaalsContact CE1-CD 3.4Å; H22-Q26 PolarHBondContact CE1-NE2 2.67Å; H22-Q26 WeakPolarHBondContact O-CG 3.38Å; H22-Q26 PolarHBondContact O-N 3.47Å; H22-Q271 PolarHBondContact CE1-NE2 3.5Å; H22-Q271 VanDerWaalsContact CE1-NE2 3.25Å; H22-Q271 PolarHBondContact NE2-NE2 3.31Å
23L86.8Confident86.5Confident29 Ų2971.9 Ų71.915%0.15237%0.365CS..Hα-helixtrans-60.9-39.2175.7177.663000111.4S21 Q26 I27 W58 K61 A65S21-L23 PolarHBondContact O-N 2.96Å; S21-L23 PolarHBondContact OG-N 2.84Å; L23-Q26 PolarHBondContact O-N 3.5Å; L23-I27 HydrophobicContact CD1-CD1 4Å; L23-I27 HydrophobicContact CD1-CG1 4.17Å; L23-I27 HydrophobicContact CD2-CD1 4.48Å; L23-I27 HydrophobicContact CG-CD1 3.85Å; L23-I27 HydrophobicContact CG-CG1 4.42Å; L23-I27 VanDerWaalsContact O-CG1 3.3Å; L23-I27 WeakPolarHBondContact O-CG1 3.24Å; L23-I27 PolarHBondContact O-N 3.01Å; L23-W58 HydrophobicContact CD1-CE3 4.22Å; L23-W58 HydrophobicContact CD1-CZ3 4Å; L23-K61 HydrophobicContact CD1-CB 4.25Å; L23-A65 HydrophobicContact CD2-CB 3.3Å
24H88.9Confident86.8Confident77 Ų7767.3 Ų67.336%0.35634%0.344SS..Hα-helixtrans-62.8-46.4176.2-179.866.9000111.5L18 K19 S21 H22 Q26 I27 E28L18-H24 WeakPolarHBondContact O-CB 3.24Å; K19-H24 PolarHBondContact O-CD2 3.41Å; S21-H24 WeakPolarHBondContact O-CB 3.43Å; S21-H24 PolarHBondContact O-N 3.34Å; S21-H24 PolarHBondContact OG-N 2.94Å; H22-H24 VanDerWaalsContact C-N 3.28Å; H22-H24 PolarHBondContact O-N 3.45Å; H24-Q26 VanDerWaalsContact C-N 3.29Å; H24-Q26 PolarHBondContact O-N 2.95Å; H24-I27 PolarHBondContact O-N 3.34Å; H24-E28 WeakPolarHBondContact O-CB 3.46Å; H24-E28 PolarHBondContact O-N 3.38Å
25S88.2Confident86.8Confident66 Ų6671.1 Ų71.146%0.46236%0.363SS..Hα-helixtrans-60.3-37.7175.3-48.80000112.4S21 H22 R29S21-S25 PolarHBondContact O-N 2.87Å; H22-S25 PolarHBondContact O-N 3.16Å; S25-R29 WeakPolarHBondContact O-CB 3.48Å; S25-R29 PolarHBondContact O-N 3.43Å
26Q89.3Confident86.6Confident42 Ų4275.7 Ų75.720%0.19638%0.38CS..Hα-helixtrans-66.9-46.2176.2-74.6-176.7-29.700112.1H22 L23 H24 E28 R29 Q30 W58H22-Q26 VanDerWaalsContact CE1-CD 3.4Å; H22-Q26 PolarHBondContact CE1-NE2 2.67Å; H22-Q26 WeakPolarHBondContact O-CG 3.38Å; H22-Q26 PolarHBondContact O-N 3.47Å; L23-Q26 PolarHBondContact O-N 3.5Å; H24-Q26 VanDerWaalsContact C-N 3.29Å; H24-Q26 PolarHBondContact O-N 2.95Å; Q26-E28 VanDerWaalsContact C-N 3.32Å; Q26-E28 PolarHBondContact O-N 2.88Å; Q26-R29 PolarHBondContact O-N 2.87Å; Q26-Q30 WeakPolarHBondContact O-CB 3.45Å; Q26-Q30 VanDerWaalsContact O-CG 3.27Å; Q26-Q30 WeakPolarHBondContact O-CG 3.27Å; Q26-Q30 PolarHBondContact O-N 2.98Å; Q26-W58 HydrophobicContact CB-CH2 3.78Å; Q26-W58 HydrophobicContact CB-CZ3 3.75Å; Q26-W58 HydrophobicContact CG-CH2 4.48Å
27I90.3Very high86.5Confident29 Ų2974.8 Ų74.815%0.14937%0.371CS..Hα-helixtrans-61.7-43.9176.6-69.1169.2000109.9L23 H24 R29 Q30 A31 L53 W58 L62L23-I27 HydrophobicContact CD1-CD1 4Å; L23-I27 HydrophobicContact CD1-CG1 4.17Å; L23-I27 HydrophobicContact CD2-CD1 4.48Å; L23-I27 HydrophobicContact CG-CD1 3.85Å; L23-I27 HydrophobicContact CG-CG1 4.42Å; L23-I27 VanDerWaalsContact O-CG1 3.3Å; L23-I27 WeakPolarHBondContact O-CG1 3.24Å; L23-I27 PolarHBondContact O-N 3.01Å; H24-I27 PolarHBondContact O-N 3.34Å; I27-R29 PolarHBondContact O-N 3.4Å; I27-Q30 PolarHBondContact O-N 2.93Å; I27-A31 VanDerWaalsContact O-CB 3.31Å; I27-A31 WeakPolarHBondContact O-CB 3.4Å; I27-A31 PolarHBondContact O-N 3.31Å; I27-L53 HydrophobicContact CG2-CD1 4.06Å; I27-L53 HydrophobicContact CG2-CD2 4.36Å; I27-W58 HydrophobicContact CG1-CD2 4.34Å; I27-W58 HydrophobicContact CG1-CE3 3.68Å; I27-W58 HydrophobicContact CG1-CZ3 4.32Å; I27-L62 HydrophobicContact CD1-CB 4.3Å; I27-L62 HydrophobicContact CD1-CD1 4.33Å
28E89.9Confident86.4Confident84 Ų8477.2 Ų77.239%0.39340%0.395SS..Hα-helixtrans-61.2-45.3177.4-169.9-167.4170.600111.5H24 Q26 Q30 A31 K32H24-E28 WeakPolarHBondContact O-CB 3.46Å; H24-E28 PolarHBondContact O-N 3.38Å; Q26-E28 VanDerWaalsContact C-N 3.32Å; Q26-E28 PolarHBondContact O-N 2.88Å; E28-Q30 VanDerWaalsContact C-N 3.34Å; E28-Q30 PolarHBondContact O-N 3.02Å; E28-A31 PolarHBondContact O-N 3.44Å; E28-K32 WeakPolarHBondContact O-CG 3.48Å; E28-K32 PolarHBondContact O-N 2.93Å; E28-K32 VanDerWaalsContact OE1-CE 3.24Å; E28-K32 WeakPolarHBondContact OE1-CE 3.31Å; E28-K32 IonicContact OE1-NZ 2.88Å; E28-K32 PolarHBondContact OE1-NZ 2.76Å
29R90.3Very high86.1Confident176 Ų17682.6 Ų82.666%0.66442%0.42SS*.Hα-helixtrans-59.4-45.6176.7-175.5175.8-178.1164.62.4111.4S25 Q26 I27 K32 D33S25-R29 WeakPolarHBondContact O-CB 3.48Å; S25-R29 PolarHBondContact O-N 3.43Å; Q26-R29 PolarHBondContact O-N 2.87Å; I27-R29 PolarHBondContact O-N 3.4Å; R29-K32 WeakPolarHBondContact O-CB 3.33Å; R29-K32 PolarHBondContact O-N 3.02Å; R29-K32 VanDerWaalsContact O-N 3.16Å; R29-D33 PolarHBondContact O-N 2.97Å
30Q90.1Very high85.9Confident58 Ų5877.7 Ų77.727%0.27140%0.4SS..Hα-helixtrans-69.9-34.7-179.6-69.2-73.3-56.300112.8Q26 I27 E28 K32 D33 C34 L53 W58Q26-Q30 WeakPolarHBondContact O-CB 3.45Å; Q26-Q30 VanDerWaalsContact O-CG 3.27Å; Q26-Q30 WeakPolarHBondContact O-CG 3.27Å; Q26-Q30 PolarHBondContact O-N 2.98Å; I27-Q30 PolarHBondContact O-N 2.93Å; E28-Q30 VanDerWaalsContact C-N 3.34Å; E28-Q30 PolarHBondContact O-N 3.02Å; Q30-K32 VanDerWaalsContact C-N 3.3Å; Q30-D33 PolarHBondContact NE2-OD2 3.19Å; Q30-D33 PolarHBondContact O-N 2.92Å; Q30-C34 PolarHBondContact O-N 2.93Å; Q30-L53 HydrophobicContact CB-CD2 4.41Å; Q30-W58 HydrophobicContact CB-CZ2 4.44Å; Q30-W58 HydrophobicContact CG-CH2 4.33Å; Q30-W58 HydrophobicContact CG-CZ2 3.49Å; Q30-W58 VanDerWaalsContact CG-CZ2 3.49Å
31A88.8Confident86.2Confident23 Ų2379.7 Ų79.719%0.1939%0.39CS..Hα-helixtrans-63.9-35.4170.600000111.7I27 E28 C34 L35 V49 L53I27-A31 VanDerWaalsContact O-CB 3.31Å; I27-A31 WeakPolarHBondContact O-CB 3.4Å; I27-A31 PolarHBondContact O-N 3.31Å; E28-A31 PolarHBondContact O-N 3.44Å; A31-C34 PolarHBondContact O-SG 3.35Å; A31-L35 WeakPolarHBondContact O-CG 3.4Å; A31-V49 HydrophobicContact CB-CG1 3.97Å; A31-L53 HydrophobicContact CB-CD1 4.47Å
32K88.8Confident86.1Confident108 Ų10885.8 Ų85.847%0.4742%0.419SS..Hα-helixtrans-71.7-42.1172.9-71.4173.8-175.3169.20112.2E28 R29 Q30 C34 L35 H36E28-K32 WeakPolarHBondContact O-CG 3.48Å; E28-K32 PolarHBondContact O-N 2.93Å; E28-K32 VanDerWaalsContact OE1-CE 3.24Å; E28-K32 WeakPolarHBondContact OE1-CE 3.31Å; E28-K32 IonicContact OE1-NZ 2.88Å; E28-K32 PolarHBondContact OE1-NZ 2.76Å; R29-K32 WeakPolarHBondContact O-CB 3.33Å; R29-K32 PolarHBondContact O-N 3.02Å; R29-K32 VanDerWaalsContact O-N 3.16Å; Q30-K32 VanDerWaalsContact C-N 3.3Å; K32-C34 PolarHBondContact O-N 2.96Å; K32-L35 WeakPolarHBondContact O-CB 3.5Å; K32-L35 PolarHBondContact O-N 3.36Å; K32-H36 PolarHBondContact O-ND1 3.32Å
33D86.6Confident86.3Confident76 Ų7690.1 Ų90.141%0.40644%0.439SS..Hα-helixtrans-60.9-37.3179.3-67.1-21.5000110.8R29 Q30 L35 H36R29-D33 PolarHBondContact O-N 2.97Å; Q30-D33 PolarHBondContact NE2-OD2 3.19Å; Q30-D33 PolarHBondContact O-N 2.92Å; D33-L35 VanDerWaalsContact C-N 3.27Å; D33-L35 PolarHBondContact O-N 3.01Å; D33-H36 PolarHBondContact O-N 3.36Å; D33-H36 PolarHBondContact O-ND1 3.28Å
34C86.9Confident86.4Confident1 Ų190.2 Ų90.21%0.00744%0.442CS..Hα-helixtrans-68-22.6-179.581.50000114.1Q30 A31 K32 H36 R37 I40 F52Q30-C34 PolarHBondContact O-N 2.93Å; A31-C34 PolarHBondContact O-SG 3.35Å; K32-C34 PolarHBondContact O-N 2.96Å; C34-H36 PolarHBondContact O-N 3.28Å; C34-H36 VanDerWaalsContact O-N 3.1Å; C34-R37 VanDerWaalsContact O-CB 3.24Å; C34-R37 WeakPolarHBondContact O-CB 3.44Å; C34-R37 WeakPolarHBondContact O-CG 3.37Å; C34-R37 PolarHBondContact O-N 3.48Å; C34-I40 HydrophobicContact CB-CD1 3.73Å; C34-I40 WeakPolarHBondContact O-CD1 3.25Å; C34-I40 WeakPolarHBondContact SG-CD1 3.28Å; C34-F52 HydrophobicContact CB-CD1 3.33Å; C34-F52 HydrophobicContact CB-CD2 4.14Å; C34-F52 HydrophobicContact CB-CE1 3.4Å; C34-F52 VanDerWaalsContact CB-CE1 3.4Å; C34-F52 HydrophobicContact CB-CE2 4.21Å; C34-F52 HydrophobicContact CB-CG 3.72Å; C34-F52 HydrophobicContact CB-CZ 3.85Å
35L85.6Confident86.3Confident91 Ų9189.6 Ų89.648%0.47644%0.441SS..THydrogen-bonded Turntrans-61.6-19.9176.9-59179.6000113.5A31 K32 D33 R37 L45 V49A31-L35 WeakPolarHBondContact O-CG 3.4Å; K32-L35 WeakPolarHBondContact O-CB 3.5Å; K32-L35 PolarHBondContact O-N 3.36Å; D33-L35 VanDerWaalsContact C-N 3.27Å; D33-L35 PolarHBondContact O-N 3.01Å; L35-R37 VanDerWaalsContact C-N 3.25Å; L35-L45 HydrophobicContact CD2-CD1 3.48Å; L35-L45 VanDerWaalsContact CD2-CD1 3.48Å; L35-V49 HydrophobicContact CD2-CG2 4.12Å
36H83.5Confident86.3Confident162 Ų16294.2 Ų94.275%0.7545%0.453SS*.THydrogen-bonded Turntrans-84.4-1.3178.1-5685.5000112.6K32 D33 C34K32-H36 PolarHBondContact O-ND1 3.32Å; D33-H36 PolarHBondContact O-N 3.36Å; D33-H36 PolarHBondContact O-ND1 3.28Å; C34-H36 PolarHBondContact O-N 3.28Å; C34-H36 VanDerWaalsContact O-N 3.1Å
37R83.3Confident86.4Confident125 Ų12597.5 Ų97.547%0.47247%0.468SS..SBendtrans-88.5138.3-177.7-65.8-169.5177.8-150.70.6111.4C34 L35 E39 I40 F52C34-R37 VanDerWaalsContact O-CB 3.24Å; C34-R37 WeakPolarHBondContact O-CB 3.44Å; C34-R37 WeakPolarHBondContact O-CG 3.37Å; C34-R37 PolarHBondContact O-N 3.48Å; L35-R37 VanDerWaalsContact C-N 3.25Å; R37-E39 WeakPolarHBondContact CB-OE2 3.49Å; R37-E39 PolarHBondContact O-N 3.49Å; R37-I40 PolarHBondContact O-N 2.88Å; R37-F52 VanDerWaalsContact CZ-CE2 3.4Å
38P79.6Confident86.3Confident119 Ų11998 Ų9877%0.77347%0.471SS*.THydrogen-bonded Turntrans-68-17-176.328.6-34.4000113.2I40P38-I40 VanDerWaalsContact C-N 3.33Å
39E80.4Confident86.2Confident133 Ų13395.1 Ų95.162%0.62146%0.459SS*.THydrogen-bonded Turntrans-79.4-11.2179.1-53.186.1-165.200114R37R37-E39 WeakPolarHBondContact CB-OE2 3.49Å; R37-E39 PolarHBondContact O-N 3.49Å
40I83.3Confident86.1Confident29 Ų2995.6 Ų95.615%0.14946%0.461CS..  trans-94.4117.6-179.4-58.8-158.5000109.8C34 R37 P38 L45 D48 V49C34-I40 HydrophobicContact CB-CD1 3.73Å; C34-I40 WeakPolarHBondContact O-CD1 3.25Å; C34-I40 WeakPolarHBondContact SG-CD1 3.28Å; R37-I40 PolarHBondContact O-N 2.88Å; P38-I40 VanDerWaalsContact C-N 3.33Å; I40-L45 HydrophobicContact CG2-CD1 3.58Å; I40-D48 HydrophobicContact CB-CB 4.35Å; I40-D48 HydrophobicContact CG1-CB 4.25Å; I40-D48 HydrophobicContact CG2-CB 3.95Å; I40-V49 HydrophobicContact CD1-CG2 4.21Å
41Q83.4Confident86.1Confident115 Ų11596 Ų9654%0.53747%0.47SS..  trans-96.4147.1178.7-54.2-175.57.400110.6E43 S44 L45 D48Q41-E43 PolarHBondContact O-N 3.21Å; Q41-S44 CarbonylContact O-C 3.54Å; Q41-S44 PolarHBondContact O-N 3.04Å; Q41-L45 VanDerWaalsContact O-CA 3.22Å; Q41-L45 WeakPolarHBondContact O-CA 3.29Å; Q41-L45 PolarHBondContact O-N 2.91Å; Q41-D48 PolarHBondContact N-OD2 3.36Å
42L81.9Confident86.2Confident162 Ų16296 Ų9685%0.84847%0.466SS*.SBendtrans-63.6-31.2176.5-79.7159.5000112.3
43E86.8Confident86.2Confident187 Ų18792.3 Ų92.387%0.87445%0.451SS*.THydrogen-bonded Turntrans-73.7-32.2-177.1-62.1176-169.100112.7Q41Q41-E43 PolarHBondContact O-N 3.21Å
44S87.8Confident86.3Confident31 Ų3194.4 Ų94.422%0.21746%0.457CS..THydrogen-bonded Turntrans-113.422.3178.347.60000112.9Q41 K46 E47 D48Q41-S44 CarbonylContact O-C 3.54Å; Q41-S44 PolarHBondContact O-N 3.04Å; S44-K46 VanDerWaalsContact C-N 3.28Å; S44-K46 PolarHBondContact O-N 3.23Å; S44-K46 VanDerWaalsContact O-N 3.1Å; S44-E47 PolarHBondContact O-N 3.5Å; S44-D48 WeakPolarHBondContact O-CB 3.31Å; S44-D48 VanDerWaalsContact O-CG 3.28Å; S44-D48 PolarHBondContact O-N 2.9Å; S44-D48 VanDerWaalsContact OG-CG 3.28Å; S44-D48 PolarHBondContact OG-OD1 3.43Å; S44-D48 PolarHBondContact OG-OD2 3.41Å
45L87.5Confident86.3Confident65 Ų6599.7 Ų99.734%0.3449%0.489SS..Hα-helixtrans-50.7-44.7-168.5179.962.5000113.6L35 I40 Q41 V49L35-L45 HydrophobicContact CD2-CD1 3.48Å; L35-L45 VanDerWaalsContact CD2-CD1 3.48Å; I40-L45 HydrophobicContact CG2-CD1 3.58Å; Q41-L45 VanDerWaalsContact O-CA 3.22Å; Q41-L45 WeakPolarHBondContact O-CA 3.29Å; Q41-L45 PolarHBondContact O-N 2.91Å; L45-V49 HydrophobicContact CD1-CG2 3.99Å; L45-V49 HydrophobicContact CG-CG2 4.5Å; L45-V49 WeakPolarHBondContact O-CB 3.24Å; L45-V49 WeakPolarHBondContact O-CG2 3.16Å; L45-V49 PolarHBondContact O-N 3.05Å
46K88.5Confident86.4Confident162 Ų16297.8 Ų97.870%0.70448%0.484SS*.Hα-helixtrans-66.3-45.6-177.9178.4-172.3177.3-170.70111.2S44 R50S44-K46 VanDerWaalsContact C-N 3.28Å; S44-K46 PolarHBondContact O-N 3.23Å; S44-K46 VanDerWaalsContact O-N 3.1Å; K46-R50 WeakPolarHBondContact O-CB 3.47Å; K46-R50 PolarHBondContact O-N 3.14Å; K46-R50 VanDerWaalsContact O-N 3.08Å
47E90.2Very high86.6Confident111 Ų11191.6 Ų91.652%0.51946%0.463SS..Hα-helixtrans-68.1-43-179.7-70.665-14600110.9S44 R50 S51S44-E47 PolarHBondContact O-N 3.5Å; E47-R50 PolarHBondContact O-N 2.63Å; E47-S51 WeakPolarHBondContact O-CB 3.37Å; E47-S51 PolarHBondContact O-N 3.44Å
48D88.4Confident86.9Confident39 Ų3986.8 Ų86.821%0.20945%0.445CS..Hα-helixtrans-65.8-46.4179.7-68.4-15.9000111.5I40 Q41 S44 R50 S51 F52I40-D48 HydrophobicContact CB-CB 4.35Å; I40-D48 HydrophobicContact CG1-CB 4.25Å; I40-D48 HydrophobicContact CG2-CB 3.95Å; Q41-D48 PolarHBondContact N-OD2 3.36Å; S44-D48 WeakPolarHBondContact O-CB 3.31Å; S44-D48 VanDerWaalsContact O-CG 3.28Å; S44-D48 PolarHBondContact O-N 2.9Å; S44-D48 VanDerWaalsContact OG-CG 3.28Å; S44-D48 PolarHBondContact OG-OD1 3.43Å; S44-D48 PolarHBondContact OG-OD2 3.41Å; D48-R50 VanDerWaalsContact C-N 3.32Å; D48-R50 PolarHBondContact O-N 3.25Å; D48-S51 PolarHBondContact O-N 3.27Å; D48-F52 WeakPolarHBondContact O-CB 3.47Å; D48-F52 PolarHBondContact O-N 2.86Å
49V88.6Confident87.3Confident25 Ų2584.3 Ų84.315%0.15242%0.423CS..Hα-helixtrans-61.8-41.2174.7172.70000110.7A31 L35 I40 L45 F52 L53A31-V49 HydrophobicContact CB-CG1 3.97Å; L35-V49 HydrophobicContact CD2-CG2 4.12Å; I40-V49 HydrophobicContact CD1-CG2 4.21Å; L45-V49 HydrophobicContact CD1-CG2 3.99Å; L45-V49 HydrophobicContact CG-CG2 4.5Å; L45-V49 WeakPolarHBondContact O-CB 3.24Å; L45-V49 WeakPolarHBondContact O-CG2 3.16Å; L45-V49 PolarHBondContact O-N 3.05Å; V49-F52 PolarHBondContact O-N 2.99Å; V49-L53 HydrophobicContact CG1-CD1 4.13Å; V49-L53 HydrophobicContact CG1-CG 4.46Å; V49-L53 WeakPolarHBondContact O-CG 3.35Å; V49-L53 PolarHBondContact O-N 3.25Å
50R89.2Confident87.8Confident185 Ų18580.6 Ų80.670%0.69841%0.405SS*.Hα-helixtrans-64.5-44177.1-173.5179.6-177.8-179.91.2111.7K46 E47 D48 F52 L53 K54K46-R50 WeakPolarHBondContact O-CB 3.47Å; K46-R50 PolarHBondContact O-N 3.14Å; K46-R50 VanDerWaalsContact O-N 3.08Å; E47-R50 PolarHBondContact O-N 2.63Å; D48-R50 VanDerWaalsContact C-N 3.32Å; D48-R50 PolarHBondContact O-N 3.25Å; R50-F52 VanDerWaalsContact C-N 3.35Å; R50-L53 PolarHBondContact O-N 3.33Å; R50-K54 WeakPolarHBondContact O-CB 3.39Å; R50-K54 PolarHBondContact O-N 3.4Å
51S89.5Confident88.1Confident67 Ų6783.4 Ų83.447%0.46942%0.416SS..Hα-helixtrans-63-41.9176.4-173.20000111.5E47 D48 K54 T55E47-S51 WeakPolarHBondContact O-CB 3.37Å; E47-S51 PolarHBondContact O-N 3.44Å; D48-S51 PolarHBondContact O-N 3.27Å; S51-K54 WeakPolarHBondContact O-CB 3.41Å; S51-K54 PolarHBondContact O-N 3.24Å; S51-T55 WeakPolarHBondContact O-CG2 3.43Å; S51-T55 PolarHBondContact O-N 2.91Å; S51-T55 PolarHBondContact O-OG1 3.29Å
52F89.6Confident88.4Confident23 Ų2381 Ų8110%0.10141%0.407CS..Hα-helixtrans-60-52.1174.3171.6-98.8000111.7C34 R37 D48 V49 R50 K54 T55 S56C34-F52 HydrophobicContact CB-CD1 3.33Å; C34-F52 HydrophobicContact CB-CD2 4.14Å; C34-F52 HydrophobicContact CB-CE1 3.4Å; C34-F52 VanDerWaalsContact CB-CE1 3.4Å; C34-F52 HydrophobicContact CB-CE2 4.21Å; C34-F52 HydrophobicContact CB-CG 3.72Å; C34-F52 HydrophobicContact CB-CZ 3.85Å; R37-F52 VanDerWaalsContact CZ-CE2 3.4Å; D48-F52 WeakPolarHBondContact O-CB 3.47Å; D48-F52 PolarHBondContact O-N 2.86Å; V49-F52 PolarHBondContact O-N 2.99Å; R50-F52 VanDerWaalsContact C-N 3.35Å; F52-K54 PolarHBondContact O-N 3.27Å; F52-T55 WeakPolarHBondContact CA-OG1 3.3Å; F52-T55 PolarHBondContact O-N 3.26Å; F52-T55 PolarHBondContact O-OG1 3.47Å; F52-S56 WeakPolarHBondContact O-CB 3.27Å; F52-S56 PolarHBondContact O-N 3.36Å; F52-S56 PolarHBondContact O-OG 2.61Å
53L89.7Confident88.9Confident30 Ų3077.1 Ų77.116%0.15738%0.384CS..Hα-helixtrans-61.2-32.7179.3-71.2174.5000112.3I27 Q30 A31 V49 R50 S56 W58 E59I27-L53 HydrophobicContact CG2-CD1 4.06Å; I27-L53 HydrophobicContact CG2-CD2 4.36Å; Q30-L53 HydrophobicContact CB-CD2 4.41Å; A31-L53 HydrophobicContact CB-CD1 4.47Å; V49-L53 HydrophobicContact CG1-CD1 4.13Å; V49-L53 HydrophobicContact CG1-CG 4.46Å; V49-L53 WeakPolarHBondContact O-CG 3.35Å; V49-L53 PolarHBondContact O-N 3.25Å; R50-L53 PolarHBondContact O-N 3.33Å; L53-S56 WeakPolarHBondContact CA-OG 3.49Å; L53-S56 PolarHBondContact O-OG 3.22Å; L53-W58 HydrophobicContact CB-CB 4.27Å; L53-W58 HydrophobicContact CD2-CB 3.98Å; L53-W58 HydrophobicContact CD2-CG 4Å; L53-W58 WeakPolarHBondContact O-CB 3.44Å; L53-W58 PolarHBondContact O-N 2.91Å; L53-E59 PolarHBondContact O-N 3.07Å
54K88.8Confident89.1Confident121 Ų12168.8 Ų68.853%0.52635%0.346SS..Hα-helixtrans-67.1-52.8174.5177.8158.5-173.11700112.2R50 S51 F52 S56 G57 E59R50-K54 WeakPolarHBondContact O-CB 3.39Å; R50-K54 PolarHBondContact O-N 3.4Å; S51-K54 WeakPolarHBondContact O-CB 3.41Å; S51-K54 PolarHBondContact O-N 3.24Å; F52-K54 PolarHBondContact O-N 3.27Å; K54-S56 VanDerWaalsContact C-N 3.31Å; K54-S56 PolarHBondContact O-N 3.22Å; K54-G57 PolarHBondContact O-N 3.41Å; K54-E59 HydrophobicContact CB-CB 4.42Å; K54-E59 VanDerWaalsContact CD-OE2 3.25Å; K54-E59 WeakPolarHBondContact CD-OE2 3.25Å; K54-E59 WeakPolarHBondContact CE-OE2 3.23Å; K54-E59 VanDerWaalsContact CG-OE2 3.23Å; K54-E59 WeakPolarHBondContact CG-OE2 3.12Å; K54-E59 IonicContact NZ-OE2 3.82Å
55T87.4Confident89.2Confident112 Ų11267.8 Ų67.869%0.68734%0.339SS*.Hα-helixtrans-68.7-27.2-178.350.20000113.5S51 F52 G57S51-T55 WeakPolarHBondContact O-CG2 3.43Å; S51-T55 PolarHBondContact O-N 2.91Å; S51-T55 PolarHBondContact O-OG1 3.29Å; F52-T55 WeakPolarHBondContact CA-OG1 3.3Å; F52-T55 PolarHBondContact O-N 3.26Å; F52-T55 PolarHBondContact O-OG1 3.47Å; T55-G57 VanDerWaalsContact C-N 3.31Å
56S86.6Confident89.3Confident51 Ų5167.5 Ų67.536%0.35734%0.338SS..THydrogen-bonded Turntrans-853175.854.20000114.4F52 L53 K54 W58F52-S56 WeakPolarHBondContact O-CB 3.27Å; F52-S56 PolarHBondContact O-N 3.36Å; F52-S56 PolarHBondContact O-OG 2.61Å; L53-S56 WeakPolarHBondContact CA-OG 3.49Å; L53-S56 PolarHBondContact O-OG 3.22Å; K54-S56 VanDerWaalsContact C-N 3.31Å; K54-S56 PolarHBondContact O-N 3.22Å; S56-W58 PolarHBondContact O-N 3.02Å; S56-W58 VanDerWaalsContact OG-CD1 3.27Å
57G87.3Confident89.2Confident31 Ų3161.8 Ų61.832%0.3231%0.312SS..THydrogen-bonded Turntrans82.33.4174.600000115.5K54 T55 E59 K60 K61K54-G57 PolarHBondContact O-N 3.41Å; T55-G57 VanDerWaalsContact C-N 3.31Å; G57-E59 VanDerWaalsContact C-N 3.3Å; G57-E59 PolarHBondContact O-N 3.36Å; G57-K60 PolarHBondContact O-N 2.84Å; G57-K61 PolarHBondContact O-N 3.3Å
58W90Very high89Confident25 Ų2559.6 Ų59.610%0.09530%0.299CS..Hα-helixtrans-67.9-29.7175.4-71105.2000112.7L23 Q26 I27 Q30 L53 S56 K60 K61 L62L23-W58 HydrophobicContact CD1-CE3 4.22Å; L23-W58 HydrophobicContact CD1-CZ3 4Å; Q26-W58 HydrophobicContact CB-CH2 3.78Å; Q26-W58 HydrophobicContact CB-CZ3 3.75Å; Q26-W58 HydrophobicContact CG-CH2 4.48Å; I27-W58 HydrophobicContact CG1-CD2 4.34Å; I27-W58 HydrophobicContact CG1-CE3 3.68Å; I27-W58 HydrophobicContact CG1-CZ3 4.32Å; Q30-W58 HydrophobicContact CB-CZ2 4.44Å; Q30-W58 HydrophobicContact CG-CH2 4.33Å; Q30-W58 HydrophobicContact CG-CZ2 3.49Å; Q30-W58 VanDerWaalsContact CG-CZ2 3.49Å; L53-W58 HydrophobicContact CB-CB 4.27Å; L53-W58 HydrophobicContact CD2-CB 3.98Å; L53-W58 HydrophobicContact CD2-CG 4Å; L53-W58 WeakPolarHBondContact O-CB 3.44Å; L53-W58 PolarHBondContact O-N 2.91Å; S56-W58 PolarHBondContact O-N 3.02Å; S56-W58 VanDerWaalsContact OG-CD1 3.27Å; W58-K60 VanDerWaalsContact C-N 3.3Å; W58-K60 PolarHBondContact O-N 3.24Å; W58-K61 HydrophobicContact CD2-CD 4.37Å; W58-K61 HydrophobicContact CE3-CD 3.72Å; W58-K61 HydrophobicContact CH2-CD 4.37Å; W58-K61 HydrophobicContact CZ3-CD 3.74Å; W58-K61 PolarHBondContact O-N 3.48Å; W58-L62 WeakPolarHBondContact O-CB 3.37Å; W58-L62 PolarHBondContact O-N 3.08Å
59E89.3Confident88.8Confident67 Ų6758.6 Ų58.631%0.31329%0.293SS..Hα-helixtrans-57.4-45171.6-177178.2-126.400111L53 K54 G57 L62 Q63L53-E59 PolarHBondContact O-N 3.07Å; K54-E59 HydrophobicContact CB-CB 4.42Å; K54-E59 VanDerWaalsContact CD-OE2 3.25Å; K54-E59 WeakPolarHBondContact CD-OE2 3.25Å; K54-E59 WeakPolarHBondContact CE-OE2 3.23Å; K54-E59 VanDerWaalsContact CG-OE2 3.23Å; K54-E59 WeakPolarHBondContact CG-OE2 3.12Å; K54-E59 IonicContact NZ-OE2 3.82Å; G57-E59 VanDerWaalsContact C-N 3.3Å; G57-E59 PolarHBondContact O-N 3.36Å; E59-L62 PolarHBondContact O-N 3.41Å; E59-Q63 VanDerWaalsContact O-CG 3.3Å; E59-Q63 WeakPolarHBondContact O-CG 3.35Å; E59-Q63 PolarHBondContact O-N 3.03Å
60K89.6Confident88.5Confident54 Ų5461.8 Ų61.824%0.23531%0.309CS..Hα-helixtrans-65.9-42.9179.2-174.163.268.2-172.30112G57 W58 L62 Q63 N64 Q238 D239G57-K60 PolarHBondContact O-N 2.84Å; W58-K60 VanDerWaalsContact C-N 3.3Å; W58-K60 PolarHBondContact O-N 3.24Å; K60-L62 VanDerWaalsContact C-N 3.3Å; K60-L62 PolarHBondContact O-N 2.95Å; K60-Q63 VanDerWaalsContact NZ-OE1 3.17Å; K60-Q63 WeakPolarHBondContact O-CB 3.33Å; K60-Q63 PolarHBondContact O-N 3.33Å; K60-N64 PolarHBondContact O-N 3.48Å; K60-Q238 HydrophobicContact CG-CB 4.45Å; K60-Q238 WeakPolarHBondContact CG-O 3.35Å; K60-D239 HydrophobicContact CD-CB 4.31Å; K60-D239 IonicContact NZ-OD2 3.52Å; K60-D239 PolarHBondContact NZ-OD2 2.63Å
61K89.9Confident87.8Confident88 Ų8855.4 Ų55.438%0.38329%0.287SS..Hα-helixtrans-59.7-41.2174.4-69.4-178.1-179.3176.90112.2L23 G57 W58 N64 A65L23-K61 HydrophobicContact CD1-CB 4.25Å; G57-K61 PolarHBondContact O-N 3.3Å; W58-K61 HydrophobicContact CD2-CD 4.37Å; W58-K61 HydrophobicContact CE3-CD 3.72Å; W58-K61 HydrophobicContact CH2-CD 4.37Å; W58-K61 HydrophobicContact CZ3-CD 3.74Å; W58-K61 PolarHBondContact O-N 3.48Å; K61-N64 PolarHBondContact O-N 3.45Å; K61-A65 WeakPolarHBondContact O-CB 3.47Å; K61-A65 PolarHBondContact O-N 3.25Å
62L91.1Very high87Confident65 Ų6553 Ų5334%0.3427%0.268SS..Hα-helixtrans-66.4-43.4175.8-179.161.2000111.6L18 I27 W58 E59 K60 N64 A65 I66L18-L62 HydrophobicContact CD1-CD1 3.88Å; I27-L62 HydrophobicContact CD1-CB 4.3Å; I27-L62 HydrophobicContact CD1-CD1 4.33Å; W58-L62 WeakPolarHBondContact O-CB 3.37Å; W58-L62 PolarHBondContact O-N 3.08Å; E59-L62 PolarHBondContact O-N 3.41Å; K60-L62 VanDerWaalsContact C-N 3.3Å; K60-L62 PolarHBondContact O-N 2.95Å; L62-N64 VanDerWaalsContact C-N 3.34Å; L62-N64 PolarHBondContact O-N 3.41Å; L62-A65 PolarHBondContact O-N 2.94Å; L62-I66 HydrophobicContact CD1-CD1 4.23Å; L62-I66 HydrophobicContact CD1-CG1 4.32Å; L62-I66 HydrophobicContact CG-CD1 3.95Å; L62-I66 HydrophobicContact CG-CG1 4.47Å; L62-I66 VanDerWaalsContact O-CG1 3.32Å; L62-I66 WeakPolarHBondContact O-CG1 3.36Å; L62-I66 PolarHBondContact O-N 3.2Å
63Q91.4Very high85.8Confident81 Ų8154.4 Ų54.438%0.37928%0.275SS..Hα-helixtrans-56.2-47.5174.3-74.9171.8-6.600111.4E59 K60 A65 I66 Y67E59-Q63 VanDerWaalsContact O-CG 3.3Å; E59-Q63 WeakPolarHBondContact O-CG 3.35Å; E59-Q63 PolarHBondContact O-N 3.03Å; K60-Q63 VanDerWaalsContact NZ-OE1 3.17Å; K60-Q63 WeakPolarHBondContact O-CB 3.33Å; K60-Q63 PolarHBondContact O-N 3.33Å; Q63-A65 VanDerWaalsContact C-N 3.32Å; Q63-A65 PolarHBondContact O-N 2.84Å; Q63-I66 PolarHBondContact O-N 3.04Å; Q63-Y67 VanDerWaalsContact O-CB 3.29Å; Q63-Y67 WeakPolarHBondContact O-CB 3.42Å; Q63-Y67 PolarHBondContact O-N 3.23Å
64N91.6Very high84.5Confident12 Ų1256 Ų566%0.06428%0.283CS..Hα-helixtrans-64.6-35.6178.2-66.5-10.7000112.6K60 K61 L62 R68 Q238 S240 N265K60-N64 PolarHBondContact O-N 3.48Å; K61-N64 PolarHBondContact O-N 3.45Å; L62-N64 VanDerWaalsContact C-N 3.34Å; L62-N64 PolarHBondContact O-N 3.41Å; N64-R68 WeakPolarHBondContact O-CB 3.42Å; N64-R68 PolarHBondContact O-N 3.4Å; N64-Q238 PolarHBondContact ND2-O 3.04Å; N64-S240 WeakPolarHBondContact CB-OG 3.25Å; N64-S240 PolarHBondContact OD1-N 2.96Å; N64-S240 VanDerWaalsContact OD1-N 3.16Å; N64-S240 PolarHBondContact OD1-OG 2.93Å; N64-N265 PolarHBondContact O-ND2 3.05Å
65A89.1Confident83Confident10 Ų1055 Ų558%0.08329%0.289CS..Hα-helixtrans-68.9-43.3175.100000112.1L18 L23 K61 L62 Q63 Y67 R68 E69L18-A65 HydrophobicContact CD2-CB 3.96Å; L23-A65 HydrophobicContact CD2-CB 3.3Å; K61-A65 WeakPolarHBondContact O-CB 3.47Å; K61-A65 PolarHBondContact O-N 3.25Å; L62-A65 PolarHBondContact O-N 2.94Å; Q63-A65 VanDerWaalsContact C-N 3.32Å; Q63-A65 PolarHBondContact O-N 2.84Å; A65-Y67 VanDerWaalsContact C-N 3.31Å; A65-Y67 PolarHBondContact O-N 3.3Å; A65-R68 WeakPolarHBondContact O-CB 2.97Å; A65-R68 PolarHBondContact O-N 2.87Å; A65-E69 WeakPolarHBondContact O-CG 3.42Å; A65-E69 PolarHBondContact O-N 3.41Å
66I89.6Confident81.5Confident59 Ų5954.3 Ų54.330%0.30329%0.287SS..Hα-helixtrans-59.8-45.9173.2-68.8167.2000110.1I14 L18 L62 Q63 R68 E69 L70I14-I66 HydrophobicContact CD1-CG2 4.48Å; I14-I66 HydrophobicContact CG2-CG1 4.15Å; I14-I66 HydrophobicContact CG2-CG2 4.44Å; L18-I66 HydrophobicContact CD1-CG1 3.73Å; L62-I66 HydrophobicContact CD1-CD1 4.23Å; L62-I66 HydrophobicContact CD1-CG1 4.32Å; L62-I66 HydrophobicContact CG-CD1 3.95Å; L62-I66 HydrophobicContact CG-CG1 4.47Å; L62-I66 VanDerWaalsContact O-CG1 3.32Å; L62-I66 WeakPolarHBondContact O-CG1 3.36Å; L62-I66 PolarHBondContact O-N 3.2Å; Q63-I66 PolarHBondContact O-N 3.04Å; I66-R68 VanDerWaalsContact C-N 3.33Å; I66-R68 PolarHBondContact O-N 3.45Å; I66-E69 PolarHBondContact O-N 2.94Å; I66-E69 VanDerWaalsContact O-N 3.08Å; I66-L70 HydrophobicContact CG2-CD1 4.2Å; I66-L70 HydrophobicContact CG2-CG 4.46Å; I66-L70 WeakPolarHBondContact O-CG 3.47Å; I66-L70 PolarHBondContact O-N 3.48Å
67Y87.4Confident80.2Confident42 Ų4254.7 Ų54.717%0.16529%0.29CS..Hα-helixtrans-59.6-42.4178.7-176.3-105.1000112.3Q63 A65 E69 L70 H71 A241 Q244Q63-Y67 VanDerWaalsContact O-CB 3.29Å; Q63-Y67 WeakPolarHBondContact O-CB 3.42Å; Q63-Y67 PolarHBondContact O-N 3.23Å; A65-Y67 VanDerWaalsContact C-N 3.31Å; A65-Y67 PolarHBondContact O-N 3.3Å; Y67-E69 PolarHBondContact O-N 2.86Å; Y67-L70 PolarHBondContact O-N 3.26Å; Y67-H71 AromaticContact CD1-CD2 3.92Å; Y67-H71 AromaticContact CE1-CD2 3.64Å; Y67-H71 AromaticContact CE1-NE2 3.31Å; Y67-H71 VanDerWaalsContact CE1-NE2 3.31Å; Y67-H71 WeakPolarHBondContact CE1-NE2 3.42Å; Y67-H71 AromaticContact CE2-NE2 3.55Å; Y67-H71 AromaticContact CZ-CD2 3.83Å; Y67-H71 AromaticContact CZ-NE2 3.06Å; Y67-H71 PolarHBondContact O-CD2 2.94Å; Y67-H71 VanDerWaalsContact O-CD2 3.22Å; Y67-H71 PolarHBondContact O-N 3.47Å; Y67-H71 PolarHBondContact OH-NE2 3.19Å; Y67-A241 HydrophobicContact CD2-CB 3.98Å; Y67-A241 HydrophobicContact CE1-CB 4.42Å; Y67-A241 HydrophobicContact CE2-CB 3.67Å; Y67-A241 HydrophobicContact CG-CB 4.46Å; Y67-Q244 WeakPolarHBondContact OH-CB 3.35Å; Y67-Q244 PolarHBondContact OH-OE1 3.17Å
68R85.4Confident78.9Confident64 Ų6458.8 Ų58.824%0.24230%0.3CS..Hα-helixtrans-58-47171.1171.3-176.6-174.9-173.39.3112N64 A65 I66 L70 H71 I72 N265 E391N64-R68 WeakPolarHBondContact O-CB 3.42Å; N64-R68 PolarHBondContact O-N 3.4Å; A65-R68 WeakPolarHBondContact O-CB 2.97Å; A65-R68 PolarHBondContact O-N 2.87Å; I66-R68 VanDerWaalsContact C-N 3.33Å; I66-R68 PolarHBondContact O-N 3.45Å; R68-L70 VanDerWaalsContact C-N 3.31Å; R68-L70 PolarHBondContact O-N 2.99Å; R68-H71 PolarHBondContact O-N 2.73Å; R68-I72 HydrophobicContact CG-CD1 3.77Å; R68-I72 WeakPolarHBondContact O-CG1 3.32Å; R68-I72 PolarHBondContact O-N 2.93Å; R68-N265 HydrophobicContact CB-CB 4.39Å; R68-E391 IonicContact CZ-OE1 3.54Å; R68-E391 IonicContact CZ-OE2 3.12Å; R68-E391 IonicContact NE-OE2 3.71Å; R68-E391 IonicContact NH2-OE1 2.83Å; R68-E391 PolarHBondContact NH2-OE1 2.83Å; R68-E391 IonicContact NH2-OE2 3.94Å; R68-E391 PolarHBondContact NH2-OE2 3Å; R68-E391 VanDerWaalsContact NH2-OE2 3.15Å
69E83.5Confident77.7Confident19 Ų1963.3 Ų63.39%0.08933%0.333CS..Hα-helixtrans-64.4-37.1-177.6-71.3-63.1153.900111.8I14 R17 L18 A65 I66 Y67 H71 I72 Q73I14-E69 HydrophobicContact CG1-CB 4.4Å; I14-E69 HydrophobicContact CG2-CB 4.28Å; R17-E69 WeakPolarHBondContact CD-OE2 3.36Å; R17-E69 IonicContact CZ-OE2 2.67Å; R17-E69 IonicContact NE-OE1 3.97Å; R17-E69 IonicContact NE-OE2 3.57Å; R17-E69 PolarHBondContact NE-OE2 3.27Å; R17-E69 IonicContact NH2-OE1 2.88Å; R17-E69 PolarHBondContact NH2-OE1 3.35Å; R17-E69 IonicContact NH2-OE2 3.09Å; R17-E69 PolarHBondContact NH2-OE2 3.44Å; L18-E69 HydrophobicContact CD2-CG 4.18Å; A65-E69 WeakPolarHBondContact O-CG 3.42Å; A65-E69 PolarHBondContact O-N 3.41Å; I66-E69 PolarHBondContact O-N 2.94Å; I66-E69 VanDerWaalsContact O-N 3.08Å; Y67-E69 PolarHBondContact O-N 2.86Å; E69-H71 PolarHBondContact O-N 3.29Å; E69-I72 PolarHBondContact O-N 3.23Å; E69-I72 VanDerWaalsContact O-N 3.16Å; E69-Q73 WeakPolarHBondContact O-CG 3.29Å; E69-Q73 PolarHBondContact O-N 3.23Å; E69-Q73 VanDerWaalsContact O-N 3.13Å
70L82.8Confident76.7Confident92 Ų9265.5 Ų65.548%0.48235%0.351SS..Hα-helixtrans-58.9-35.1174.6-71.9170000112.7I14 I66 Y67 R68I14-L70 HydrophobicContact CD1-CD2 3.69Å; I14-L70 HydrophobicContact CD1-CG 4.16Å; I66-L70 HydrophobicContact CG2-CD1 4.2Å; I66-L70 HydrophobicContact CG2-CG 4.46Å; I66-L70 WeakPolarHBondContact O-CG 3.47Å; I66-L70 PolarHBondContact O-N 3.48Å; Y67-L70 PolarHBondContact O-N 3.26Å; R68-L70 VanDerWaalsContact C-N 3.31Å; R68-L70 PolarHBondContact O-N 2.99Å
71H75.3Confident75.8Confident51 Ų5164.4 Ų64.424%0.23635%0.352CS..Hα-helixtrans-78.7-19.6179-73.6-53.5000114.3Y67 R68 E69 D471Y67-H71 AromaticContact CD1-CD2 3.92Å; Y67-H71 AromaticContact CE1-CD2 3.64Å; Y67-H71 AromaticContact CE1-NE2 3.31Å; Y67-H71 VanDerWaalsContact CE1-NE2 3.31Å; Y67-H71 WeakPolarHBondContact CE1-NE2 3.42Å; Y67-H71 AromaticContact CE2-NE2 3.55Å; Y67-H71 AromaticContact CZ-CD2 3.83Å; Y67-H71 AromaticContact CZ-NE2 3.06Å; Y67-H71 PolarHBondContact O-CD2 2.94Å; Y67-H71 VanDerWaalsContact O-CD2 3.22Å; Y67-H71 PolarHBondContact O-N 3.47Å; Y67-H71 PolarHBondContact OH-NE2 3.19Å; R68-H71 PolarHBondContact O-N 2.73Å; E69-H71 PolarHBondContact O-N 3.29Å; H71-D471 IonicContact CE1-OD2 3.66Å; H71-D471 IonicContact CG-OD2 3.56Å; H71-D471 IonicContact ND1-OD2 3Å; H71-D471 PolarHBondContact ND1-OD2 3.18Å; H71-D471 VanDerWaalsContact ND1-OD2 3.09Å
72I70.9Confident75.2Confident16 Ų1663.5 Ų63.58%0.08236%0.355CS..Hα-helixtrans-96.3-13.1-179.4-62.6171.3000111.2R68 E69 Y334R68-I72 HydrophobicContact CG-CD1 3.77Å; R68-I72 WeakPolarHBondContact O-CG1 3.32Å; R68-I72 PolarHBondContact O-N 2.93Å; E69-I72 PolarHBondContact O-N 3.23Å; E69-I72 VanDerWaalsContact O-N 3.16Å; I72-Y334 HydrophobicContact CG2-CD1 3.91Å; I72-Y334 HydrophobicContact CG2-CE1 3.41Å; I72-Y334 VanDerWaalsContact CG2-CE1 3.41Å
73Q65.3Low74.4Confident53 Ų5367.1 Ų67.125%0.24837%0.374CS..PPolyproline II helixtrans-68.1134.5-176.9-85.8-174.5-3.400113.2E69E69-Q73 WeakPolarHBondContact O-CG 3.29Å; E69-Q73 PolarHBondContact O-N 3.23Å; E69-Q73 VanDerWaalsContact O-N 3.13Å
74L61.6Low73.7Confident62 Ų6269.1 Ų69.133%0.32538%0.383SS..PPolyproline II helixtrans-68147.9163.6-72.8166.7000109.1L86L74-L86 HydrophobicContact CD1-CB 4.1Å; L74-L86 WeakPolarHBondContact CD2-O 3.47Å
75P58.7Low73.2Confident100 Ų10072.5 Ų72.565%0.64940%0.398SS*.PPolyproline II helixtrans-51.3143.4172.6-23.231.7000111S77P75-S77 PolarHBondContact O-N 2.91Å
76P56.3Low72.6Confident98 Ų9874.2 Ų74.264%0.63641%0.406SS*.PPolyproline II helixtrans-54.4130.6173.721.5-30.4000109.2
77S57.6Low72.3Confident60 Ų6073.7 Ų73.742%0.4240%0.401SS..  trans-127.1157.1-172.448.80000109.6P75 L86P75-S77 PolarHBondContact O-N 2.91Å; S77-L86 WeakPolarHBondContact OG-CD2 3.33Å
78H60.9Low72.5Confident117 Ų11771.8 Ų71.854%0.54239%0.394SS..  trans-59.2133.4179.8-166.7-86.9000109.8T80 A81H78-T80 PolarHBondContact CE1-OG1 2.93Å; H78-T80 PolarHBondContact ND1-N 2.98Å; H78-T80 PolarHBondContact ND1-OG1 3.38Å; H78-T80 PolarHBondContact O-N 3.2Å; H78-A81 VanDerWaalsContact O-CB 3.25Å; H78-A81 WeakPolarHBondContact O-CB 3.49Å; H78-A81 PolarHBondContact O-N 3.41Å
79P64.1Low72.7Confident119 Ų11972.5 Ų72.577%0.77341%0.407SS*.THydrogen-bonded Turntrans-56.4-22-173.3-27.934.9000115.4
80T68.6Low73.1Confident113 Ų11374.2 Ų74.269%0.69342%0.417SS*.THydrogen-bonded Turntrans-96.92.2179.262.80000113.9H78 P82H78-T80 PolarHBondContact CE1-OG1 2.93Å; H78-T80 PolarHBondContact ND1-N 2.98Å; H78-T80 PolarHBondContact ND1-OG1 3.38Å; H78-T80 PolarHBondContact O-N 3.2Å; T80-P82 WeakPolarHBondContact O-CD 3.3Å
81A70.1Confident73.5Confident31 Ų3172.8 Ų72.826%0.25642%0.418SS..SBendtrans-67.8129.2178.600000110.3H78 L86H78-A81 VanDerWaalsContact O-CB 3.25Å; H78-A81 WeakPolarHBondContact O-CB 3.49Å; H78-A81 PolarHBondContact O-N 3.41Å; A81-L86 HydrophobicContact CB-CD2 3.89Å
82P78.1Confident74.3Confident69 Ų6971.7 Ų71.745%0.44841%0.412SS..  trans-51.9142.7171.6-2732.3000112T80 E84 H85 L86T80-P82 WeakPolarHBondContact O-CD 3.3Å; P82-E84 PolarHBondContact O-N 3.07Å; P82-H85 WeakPolarHBondContact CD-ND1 3.42Å; P82-H85 WeakPolarHBondContact O-CA 3.46Å; P82-H85 WeakPolarHBondContact O-CB 3.29Å; P82-H85 PolarHBondContact O-N 3.16Å; P82-L86 PolarHBondContact O-N 3.43Å
83L75.1Confident75.5Confident141 Ų14171 Ų7174%0.73841%0.408SS*.Hα-helixtrans-52.4-34.6178.6-70.3173000112.8H85 L86 K87L83-H85 VanDerWaalsContact C-N 3.31Å; L83-H85 PolarHBondContact O-N 3.38Å; L83-L86 HydrophobicContact CD2-CD1 4.03Å; L83-L86 WeakPolarHBondContact O-CB 3.24Å; L83-L86 PolarHBondContact O-N 3.24Å; L83-L86 VanDerWaalsContact O-N 3.16Å; L83-K87 PolarHBondContact O-N 3.14Å
84E76.7Confident76.9Confident123 Ų12370.9 Ų70.958%0.57541%0.406SS*.Hα-helixtrans-64.7-33.2176.4-61.2-175.9-179.600113.3P82 L86 K87 E88 R94P82-E84 PolarHBondContact O-N 3.07Å; E84-L86 VanDerWaalsContact C-N 3.26Å; E84-K87 PolarHBondContact O-N 3.02Å; E84-E88 PolarHBondContact O-N 3.18Å; E84-E88 VanDerWaalsContact O-N 3.07Å; E84-R94 IonicContact OE2-NH1 3.67Å; E84-R94 PolarHBondContact OE2-NH1 2.69Å
85H81.1Confident78.4Confident83 Ų8375.8 Ų75.838%0.38442%0.424SS..Hα-helixtrans-71.8-24.8175.3-65.4173.4000112P82 L83 R94P82-H85 WeakPolarHBondContact CD-ND1 3.42Å; P82-H85 WeakPolarHBondContact O-CA 3.46Å; P82-H85 WeakPolarHBondContact O-CB 3.29Å; P82-H85 PolarHBondContact O-N 3.16Å; L83-H85 VanDerWaalsContact C-N 3.31Å; L83-H85 PolarHBondContact O-N 3.38Å; H85-R94 PolarHBondContact CD2-NH1 3.35Å; H85-R94 PolarHBondContact CD2-NH2 3.19Å; H85-R94 PolarHBondContact NE2-NH2 3.02Å
86L76.4Confident80.2Confident46 Ų4671.9 Ų71.924%0.24140%0.401CS..Hα-helixtrans-72-37.8174.2-51.5-172.1000111.4L74 S77 A81 P82 L83 E84L74-L86 HydrophobicContact CD1-CB 4.1Å; L74-L86 WeakPolarHBondContact CD2-O 3.47Å; S77-L86 WeakPolarHBondContact OG-CD2 3.33Å; A81-L86 HydrophobicContact CB-CD2 3.89Å; P82-L86 PolarHBondContact O-N 3.43Å; L83-L86 HydrophobicContact CD2-CD1 4.03Å; L83-L86 WeakPolarHBondContact O-CB 3.24Å; L83-L86 PolarHBondContact O-N 3.24Å; L83-L86 VanDerWaalsContact O-N 3.16Å; E84-L86 VanDerWaalsContact C-N 3.26Å
87K83.3Confident82.2Confident48 Ų4867.5 Ų67.521%0.20937%0.372CS..Hα-helixtrans-71.2-46.3177.7-67.8178.961.4170.60112.3L83 E84 F332 K333 N335 A337 T338L83-K87 PolarHBondContact O-N 3.14Å; E84-K87 PolarHBondContact O-N 3.02Å; K87-F332 WeakPolarHBondContact CE-O 3.33Å; K87-F332 PolarHBondContact NZ-O 3.16Å; K87-F332 VanDerWaalsContact NZ-O 3.08Å; K87-K333 WeakPolarHBondContact CG-O 3.41Å; K87-N335 WeakPolarHBondContact CE-O 3.28Å; K87-A337 WeakPolarHBondContact CE-O 3.4Å; K87-A337 PolarHBondContact NZ-O 2.95Å; K87-T338 PolarHBondContact NZ-OG1 3.05Å
88E90.9Very high84Confident2 Ų267.1 Ų67.11%0.00937%0.372CS..  trans-152.8111.2-179.8172.353.7-121.800110.2E84 L90 M93 R94 S336 S404 S405E84-E88 PolarHBondContact O-N 3.18Å; E84-E88 VanDerWaalsContact O-N 3.07Å; E88-L90 VanDerWaalsContact C-N 3.33Å; E88-L90 PolarHBondContact O-N 2.74Å; E88-L90 VanDerWaalsContact OE1-CB 3.24Å; E88-L90 WeakPolarHBondContact OE1-CB 3.36Å; E88-L90 PolarHBondContact OE1-N 3.33Å; E88-M93 HydrophobicContact CG-CB 3.79Å; E88-R94 HydrophobicContact CB-CG 3.6Å; E88-R94 HydrophobicContact CG-CG 3.58Å; E88-R94 WeakPolarHBondContact O-CD 3.28Å; E88-R94 PolarHBondContact O-NE 2.97Å; E88-S336 WeakPolarHBondContact CB-OG 3.4Å; E88-S404 WeakPolarHBondContact OE2-CA 3.5Å; E88-S404 WeakPolarHBondContact OE2-CB 3.45Å; E88-S405 WeakPolarHBondContact OE1-CB 3.46Å; E88-S405 PolarHBondContact OE1-OG 3.13Å; E88-S405 PolarHBondContact OE2-N 3.16Å
89P89.1Confident85.7Confident80 Ų8065.4 Ų65.452%0.51937%0.373SS..SBendtrans-68.5-30.6-176.126.1-33.8000112.7A91P89-A91 PolarHBondContact O-N 3.41Å
90L91.6Very high87.2Confident54 Ų5460 Ų6028%0.28334%0.337SS..  trans-86.7113.5-174.4-53.8-178.4000111.3E88 Y92 M93 R94 L188E88-L90 VanDerWaalsContact C-N 3.33Å; E88-L90 PolarHBondContact O-N 2.74Å; E88-L90 VanDerWaalsContact OE1-CB 3.24Å; E88-L90 WeakPolarHBondContact OE1-CB 3.36Å; E88-L90 PolarHBondContact OE1-N 3.33Å; L90-Y92 VanDerWaalsContact C-N 3.3Å; L90-Y92 HydrophobicContact CB-CD1 4.09Å; L90-Y92 HydrophobicContact CB-CE1 3.76Å; L90-Y92 HydrophobicContact CD1-CE1 3.85Å; L90-Y92 WeakPolarHBondContact CD1-OH 3.45Å; L90-Y92 HydrophobicContact CD2-CE1 4.45Å; L90-Y92 HydrophobicContact CG-CE1 4.23Å; L90-Y92 PolarHBondContact O-N 3.41Å; L90-M93 HydrophobicContact CB-CB 4.11Å; L90-M93 HydrophobicContact CB-CG 3.81Å; L90-M93 HydrophobicContact CD1-CG 4.13Å; L90-M93 WeakPolarHBondContact O-CB 3.43Å; L90-M93 PolarHBondContact O-N 3.3Å; L90-M93 VanDerWaalsContact O-N 3.08Å; L90-R94 PolarHBondContact O-N 3.22Å; L90-R94 VanDerWaalsContact O-N 3.09Å; L90-L188 HydrophobicContact CD1-CD2 3.69Å
91A91.8Very high88.5Confident62 Ų6256.7 Ų56.751%0.51231%0.314SS..Hα-helixtrans-58.8-36.8-177.400000113.8P89 M93 R94 K95P89-A91 PolarHBondContact O-N 3.41Å; A91-M93 VanDerWaalsContact C-N 3.34Å; A91-R94 PolarHBondContact O-N 3.49Å; A91-K95 PolarHBondContact O-N 3.2Å
92Y93.1Very high89.7Confident29 Ų2962.9 Ų62.911%0.11434%0.335CS..Hα-helixtrans-69.4-32178.272.5-90.3000112.3L90 A96 N166 V186L90-Y92 VanDerWaalsContact C-N 3.3Å; L90-Y92 HydrophobicContact CB-CD1 4.09Å; L90-Y92 HydrophobicContact CB-CE1 3.76Å; L90-Y92 HydrophobicContact CD1-CE1 3.85Å; L90-Y92 WeakPolarHBondContact CD1-OH 3.45Å; L90-Y92 HydrophobicContact CD2-CE1 4.45Å; L90-Y92 HydrophobicContact CG-CE1 4.23Å; L90-Y92 PolarHBondContact O-N 3.41Å; Y92-A96 WeakPolarHBondContact O-CB 2.82Å; Y92-A96 PolarHBondContact O-N 2.95Å; Y92-N166 HydrophobicContact CD1-CB 4.27Å; Y92-N166 HydrophobicContact CE1-CB 3.93Å; Y92-N166 HydrophobicContact CE2-CB 4.29Å; Y92-V186 HydrophobicContact CE2-CG1 4.21Å
93M95.1Very high90.6Very high0 Ų065.7 Ų65.70%034%0.337CS..Hα-helixtrans-67.5-46.8172.5-66.5-59.2-16300110.7E88 L90 A91 K95 A96 Q97 L164 V186 L188 I403 V411E88-M93 HydrophobicContact CG-CB 3.79Å; L90-M93 HydrophobicContact CB-CB 4.11Å; L90-M93 HydrophobicContact CB-CG 3.81Å; L90-M93 HydrophobicContact CD1-CG 4.13Å; L90-M93 WeakPolarHBondContact O-CB 3.43Å; L90-M93 PolarHBondContact O-N 3.3Å; L90-M93 VanDerWaalsContact O-N 3.08Å; A91-M93 VanDerWaalsContact C-N 3.34Å; M93-K95 VanDerWaalsContact C-N 3.32Å; M93-K95 PolarHBondContact O-N 3.49Å; M93-A96 PolarHBondContact O-N 3.16Å; M93-Q97 WeakPolarHBondContact O-CB 3.39Å; M93-Q97 PolarHBondContact O-N 3.46Å; M93-L164 HydrophobicContact SD-CD1 4.14Å; M93-L164 HydrophobicContact SD-CD2 4.36Å; M93-V186 HydrophobicContact CE-CB 4.42Å; M93-V186 HydrophobicContact CE-CG1 4.37Å; M93-V186 HydrophobicContact CE-CG2 4.26Å; M93-L188 HydrophobicContact CE-CD1 3.85Å; M93-L188 HydrophobicContact CE-CD2 4.16Å; M93-L188 HydrophobicContact CE-CG 4.24Å; M93-I403 HydrophobicContact SD-CG2 3.87Å; M93-V411 HydrophobicContact CE-CG1 3.99Å
94R93.9Very high91.6Very high51 Ų5159.8 Ų59.819%0.19231%0.306CS..Hα-helixtrans-55-47174.1-76.2-172.5-74.7155.7-2.5112.2E84 H85 E88 L90 A91 A96 Q97 A98E84-R94 IonicContact OE2-NH1 3.67Å; E84-R94 PolarHBondContact OE2-NH1 2.69Å; H85-R94 PolarHBondContact CD2-NH1 3.35Å; H85-R94 PolarHBondContact CD2-NH2 3.19Å; H85-R94 PolarHBondContact NE2-NH2 3.02Å; E88-R94 HydrophobicContact CB-CG 3.6Å; E88-R94 HydrophobicContact CG-CG 3.58Å; E88-R94 WeakPolarHBondContact O-CD 3.28Å; E88-R94 PolarHBondContact O-NE 2.97Å; L90-R94 PolarHBondContact O-N 3.22Å; L90-R94 VanDerWaalsContact O-N 3.09Å; A91-R94 PolarHBondContact O-N 3.49Å; R94-A96 PolarHBondContact O-N 3.33Å; R94-Q97 PolarHBondContact O-N 2.75Å; R94-A98 WeakPolarHBondContact O-CB 3.36Å; R94-A98 PolarHBondContact O-N 3.21Å
95K94.6Very high92.4Very high165 Ų16555.8 Ų55.872%0.71729%0.288SS*.Hα-helixtrans-61.8-43.3178.9-175.5178177.6-178.90111.8A91 M93 S99A91-K95 PolarHBondContact O-N 3.2Å; M93-K95 VanDerWaalsContact C-N 3.32Å; M93-K95 PolarHBondContact O-N 3.49Å; K95-S99 WeakPolarHBondContact O-CB 3.32Å; K95-S99 PolarHBondContact O-N 3.42Å
96A96.6Very high93Very high18 Ų1859.5 Ų59.515%0.14930%0.303CS..Hα-helixtrans-66.1-43.4177.900000112.2Y92 M93 R94 S99 W100 L164 I403Y92-A96 WeakPolarHBondContact O-CB 2.82Å; Y92-A96 PolarHBondContact O-N 2.95Å; M93-A96 PolarHBondContact O-N 3.16Å; R94-A96 PolarHBondContact O-N 3.33Å; A96-S99 PolarHBondContact O-N 3.34Å; A96-W100 WeakPolarHBondContact O-CB 3.44Å; A96-W100 PolarHBondContact O-N 3.4Å; A96-L164 HydrophobicContact CB-CD2 3.2Å; A96-I403 HydrophobicContact CB-CD1 4.18Å; A96-I403 HydrophobicContact CB-CG2 4.35Å
97Q96.7Very high93.8Very high7 Ų759 Ų593%0.03330%0.303CS..Hα-helixtrans-58.6-50174.9-179.255.332.900111.5M93 R94 S99 W100 E101 A337 I403M93-Q97 WeakPolarHBondContact O-CB 3.39Å; M93-Q97 PolarHBondContact O-N 3.46Å; R94-Q97 PolarHBondContact O-N 2.75Å; Q97-S99 VanDerWaalsContact C-N 3.32Å; Q97-S99 PolarHBondContact O-N 3.24Å; Q97-W100 WeakPolarHBondContact O-CB 3.42Å; Q97-W100 PolarHBondContact O-N 3.32Å; Q97-W100 VanDerWaalsContact O-N 3.13Å; Q97-E101 PolarHBondContact NE2-OE1 3.14Å; Q97-E101 WeakPolarHBondContact O-CG 3.42Å; Q97-E101 PolarHBondContact O-N 3.25Å; Q97-A337 HydrophobicContact CG-CB 4.29Å; Q97-I403 HydrophobicContact CB-CB 4.15Å
98A95.7Very high94.4Very high52 Ų5256.7 Ų56.743%0.4329%0.293SS..Hα-helixtrans-62.2-38.517800000112.5R94 W100 K102R94-A98 WeakPolarHBondContact O-CB 3.36Å; R94-A98 PolarHBondContact O-N 3.21Å; A98-W100 VanDerWaalsContact C-N 3.33Å; A98-K102 WeakPolarHBondContact O-CB 3.44Å; A98-K102 PolarHBondContact O-N 3.04Å
99S96.8Very high94.4Very high80 Ų8059.3 Ų59.356%0.55931%0.308SS*.Hα-helixtrans-64.4-39.8174.7-175.80000111.8K95 A96 Q97 K102 R103K95-S99 WeakPolarHBondContact O-CB 3.32Å; K95-S99 PolarHBondContact O-N 3.42Å; A96-S99 PolarHBondContact O-N 3.34Å; Q97-S99 VanDerWaalsContact C-N 3.32Å; Q97-S99 PolarHBondContact O-N 3.24Å; S99-K102 PolarHBondContact O-N 3.25Å; S99-R103 PolarHBondContact O-N 3.45Å; S99-R103 VanDerWaalsContact O-N 3.15Å
100W97.1Very high94.6Very high6 Ų658.4 Ų58.42%0.02330%0.303CS..Hα-helixtrans-65.9-46.5177.5177.9-130.4000112A96 Q97 A98 K102 R103 I104 Y152 D156 F157 V160 I403A96-W100 WeakPolarHBondContact O-CB 3.44Å; A96-W100 PolarHBondContact O-N 3.4Å; Q97-W100 WeakPolarHBondContact O-CB 3.42Å; Q97-W100 PolarHBondContact O-N 3.32Å; Q97-W100 VanDerWaalsContact O-N 3.13Å; A98-W100 VanDerWaalsContact C-N 3.33Å; W100-K102 VanDerWaalsContact C-N 3.32Å; W100-K102 PolarHBondContact O-N 2.99Å; W100-R103 HydrophobicContact CE3-CB 4.23Å; W100-R103 HydrophobicContact CE3-CG 4.47Å; W100-R103 HydrophobicContact CZ3-CG 4.31Å; W100-R103 WeakPolarHBondContact O-CB 3.39Å; W100-R103 PolarHBondContact O-N 3.39Å; W100-I104 HydrophobicContact CD2-CD1 4.06Å; W100-I104 HydrophobicContact CD2-CG1 4.15Å; W100-I104 HydrophobicContact CE3-CG1 4.45Å; W100-I104 HydrophobicContact CG-CD1 4.31Å; W100-I104 HydrophobicContact CH2-CG1 4.33Å; W100-I104 HydrophobicContact CZ2-CD1 3.89Å; W100-I104 HydrophobicContact CZ2-CG1 3.99Å; W100-I104 WeakPolarHBondContact O-CG1 3.24Å; W100-I104 PolarHBondContact O-N 2.76Å; W100-Y152 AromaticContact CH2-CD2 3.93Å; W100-Y152 HydrophobicContact CH2-CD2 3.93Å; W100-Y152 AromaticContact CH2-CG 3.9Å; W100-Y152 HydrophobicContact CH2-CG 3.9Å; W100-Y152 HydrophobicContact CZ2-CD1 4.27Å; W100-Y152 AromaticContact CZ2-CD2 3.45Å; W100-Y152 HydrophobicContact CZ2-CD2 3.45Å; W100-Y152 VanDerWaalsContact CZ2-CD2 3.45Å; W100-Y152 AromaticContact CZ2-CE2 3.74Å; W100-Y152 HydrophobicContact CZ2-CE2 3.74Å; W100-Y152 AromaticContact CZ2-CG 3.71Å; W100-Y152 HydrophobicContact CZ2-CG 3.71Å; W100-D156 HydrophobicContact CH2-CB 4.27Å; W100-F157 AromaticContact CD1-CD2 3.92Å; W100-F157 AromaticContact CD1-CE2 3.67Å; W100-F157 HydrophobicContact CD2-CD2 4.14Å; W100-F157 AromaticContact CE2-CD2 3.44Å; W100-F157 VanDerWaalsContact CE2-CD2 3.44Å; W100-F157 HydrophobicContact CG-CD2 4.39Å; W100-F157 HydrophobicContact CG-CE2 4.37Å; W100-F157 HydrophobicContact CH2-CB 4.36Å; W100-F157 HydrophobicContact CZ2-CB 3.88Å; W100-F157 AromaticContact CZ2-CD2 3.71Å; W100-F157 HydrophobicContact CZ2-CD2 3.71Å; W100-F157 HydrophobicContact CZ2-CG 4.13Å; W100-F157 AromaticContact NE1-CD2 3.28Å; W100-F157 VanDerWaalsContact NE1-CD2 3.28Å; W100-F157 AromaticContact NE1-CE2 3.41Å; W100-V160 HydrophobicContact CB-CG1 4.41Å; W100-V160 HydrophobicContact CD2-CG2 4.22Å; W100-V160 HydrophobicContact CE3-CG2 3.59Å; W100-V160 HydrophobicContact CZ3-CG2 3.81Å; W100-I403 HydrophobicContact CB-CD1 4.11Å; W100-I403 HydrophobicContact CG-CD1 4.47Å
101E95.4Very high94.7Very high43 Ų4356 Ų5620%0.20129%0.29CS..Hα-helixtrans-56.9-44.7174.8-72.1166.6177.500112.1Q97 R103 I104 L105 A337 T338Q97-E101 PolarHBondContact NE2-OE1 3.14Å; Q97-E101 WeakPolarHBondContact O-CG 3.42Å; Q97-E101 PolarHBondContact O-N 3.25Å; E101-R103 VanDerWaalsContact C-N 3.27Å; E101-R103 PolarHBondContact O-N 3.46Å; E101-I104 PolarHBondContact O-N 3.26Å; E101-L105 WeakPolarHBondContact O-CB 3.38Å; E101-L105 PolarHBondContact O-N 3.09Å; E101-A337 WeakPolarHBondContact OE1-CA 3.41Å; E101-A337 WeakPolarHBondContact OE1-CB 3.33Å; E101-T338 PolarHBondContact OE1-N 3.34Å
102K95.1Very high94.8Very high161 Ų16154 Ų5470%0.727%0.272SS*.Hα-helixtrans-60.1-37.8176.3-172.6175.4-178.7175.70111.9A98 S99 W100 K106A98-K102 WeakPolarHBondContact O-CB 3.44Å; A98-K102 PolarHBondContact O-N 3.04Å; S99-K102 PolarHBondContact O-N 3.25Å; W100-K102 VanDerWaalsContact C-N 3.32Å; W100-K102 PolarHBondContact O-N 2.99Å; K102-K106 VanDerWaalsContact O-CB 3.29Å; K102-K106 WeakPolarHBondContact O-CB 3.16Å; K102-K106 PolarHBondContact O-N 3.08Å
103R96.1Very high94.7Very high129 Ų12958.1 Ų58.149%0.48730%0.301SS..Hα-helixtrans-67.9-44.2176.5-177.3173.9172.4-163.9-1.6111.6S99 W100 E101 K106 S107S99-R103 PolarHBondContact O-N 3.45Å; S99-R103 VanDerWaalsContact O-N 3.15Å; W100-R103 HydrophobicContact CE3-CB 4.23Å; W100-R103 HydrophobicContact CE3-CG 4.47Å; W100-R103 HydrophobicContact CZ3-CG 4.31Å; W100-R103 WeakPolarHBondContact O-CB 3.39Å; W100-R103 PolarHBondContact O-N 3.39Å; E101-R103 VanDerWaalsContact C-N 3.27Å; E101-R103 PolarHBondContact O-N 3.46Å; R103-K106 PolarHBondContact O-N 2.97Å; R103-S107 WeakPolarHBondContact O-CB 3.33Å; R103-S107 PolarHBondContact O-N 2.87Å
104I95.8Very high94.6Very high16 Ų1662.9 Ų62.98%0.08232%0.323CS..Hα-helixtrans-59.9-49.9175.7-65.6172.2000110W100 E101 K106 S107 L108 V151 Y152 I363W100-I104 HydrophobicContact CD2-CD1 4.06Å; W100-I104 HydrophobicContact CD2-CG1 4.15Å; W100-I104 HydrophobicContact CE3-CG1 4.45Å; W100-I104 HydrophobicContact CG-CD1 4.31Å; W100-I104 HydrophobicContact CH2-CG1 4.33Å; W100-I104 HydrophobicContact CZ2-CD1 3.89Å; W100-I104 HydrophobicContact CZ2-CG1 3.99Å; W100-I104 WeakPolarHBondContact O-CG1 3.24Å; W100-I104 PolarHBondContact O-N 2.76Å; E101-I104 PolarHBondContact O-N 3.26Å; I104-K106 VanDerWaalsContact C-N 3.34Å; I104-K106 PolarHBondContact O-N 3.12Å; I104-S107 WeakPolarHBondContact O-CB 3.04Å; I104-S107 PolarHBondContact O-N 3.21Å; I104-S107 VanDerWaalsContact O-N 3.14Å; I104-L108 PolarHBondContact O-N 3.04Å; I104-V151 HydrophobicContact CG2-CG1 3.73Å; I104-Y152 HydrophobicContact CD1-CD1 4.03Å; I104-Y152 HydrophobicContact CD1-CE1 3.64Å; I104-Y152 HydrophobicContact CG1-CD1 3.9Å; I104-Y152 HydrophobicContact CG1-CE1 4.02Å; I104-Y152 HydrophobicContact CG2-CD1 4.36Å; I104-Y152 HydrophobicContact CG2-CE1 4.3Å; I104-I363 HydrophobicContact CG2-CB 4Å; I104-I363 HydrophobicContact CG2-CD1 3.53Å; I104-I363 HydrophobicContact CG2-CG1 4.36Å; I104-I363 HydrophobicContact CG2-CG2 3.84Å
105L93.8Very high94.6Very high39 Ų3961.4 Ų61.420%0.20432%0.319CS..Hα-helixtrans-63-40.1-179.1-174.463.3000111.9E101 S107 L108 N109 P340 K341E101-L105 WeakPolarHBondContact O-CB 3.38Å; E101-L105 PolarHBondContact O-N 3.09Å; L105-S107 VanDerWaalsContact C-N 3.35Å; L105-S107 PolarHBondContact O-N 3.23Å; L105-L108 PolarHBondContact O-N 2.76Å; L105-N109 WeakPolarHBondContact O-CB 3.18Å; L105-N109 PolarHBondContact O-N 2.76Å; L105-N109 PolarHBondContact O-ND2 3.08Å; L105-P340 HydrophobicContact CD1-CB 4.39Å; L105-K341 WeakPolarHBondContact CD2-O 3.45Å
106K93.6Very high94.4Very high161 Ų16156.7 Ų56.770%0.732%0.317SS*.Hα-helixtrans-61-43.4173.7-174.6-179.4179.1-176.80111.6K102 R103 I104 S110K102-K106 VanDerWaalsContact O-CB 3.29Å; K102-K106 WeakPolarHBondContact O-CB 3.16Å; K102-K106 PolarHBondContact O-N 3.08Å; R103-K106 PolarHBondContact O-N 2.97Å; I104-K106 VanDerWaalsContact C-N 3.34Å; I104-K106 PolarHBondContact O-N 3.12Å; K106-S110 VanDerWaalsContact O-CB 3.23Å; K106-S110 WeakPolarHBondContact O-CB 3.34Å; K106-S110 PolarHBondContact O-N 3.04Å
107S94.4Very high94.2Very high35 Ų3557.7 Ų57.725%0.24532%0.322CS..Hα-helixtrans-61.4-46177.6-176.30000111.4R103 I104 L105 S110 M111 V151R103-S107 WeakPolarHBondContact O-CB 3.33Å; R103-S107 PolarHBondContact O-N 2.87Å; I104-S107 WeakPolarHBondContact O-CB 3.04Å; I104-S107 PolarHBondContact O-N 3.21Å; I104-S107 VanDerWaalsContact O-N 3.14Å; L105-S107 VanDerWaalsContact C-N 3.35Å; L105-S107 PolarHBondContact O-N 3.23Å; S107-S110 PolarHBondContact O-N 3.22Å; S107-M111 WeakPolarHBondContact O-CB 2.78Å; S107-M111 PolarHBondContact O-N 3.19Å; S107-V151 PolarHBondContact OG-O 3.3Å; S107-V151 VanDerWaalsContact OG-O 3.1Å
108L94.4Very high93.9Very high0 Ų060.4 Ų60.40%034%0.339CS..Hα-helixtrans-61.5-48.4177.3-172.271.6000112.7I104 L105 M111 S112 L119 V151 L289 V290 L293 Y357 I363I104-L108 PolarHBondContact O-N 3.04Å; L105-L108 PolarHBondContact O-N 2.76Å; L108-M111 WeakPolarHBondContact O-CB 3.46Å; L108-M111 PolarHBondContact O-N 3Å; L108-S112 PolarHBondContact O-N 2.78Å; L108-L119 HydrophobicContact CD2-CD2 4.39Å; L108-L119 HydrophobicContact CG-CD2 4.2Å; L108-V151 HydrophobicContact CD1-CG2 4.01Å; L108-L289 HydrophobicContact CD1-CD2 3.66Å; L108-V290 HydrophobicContact CD1-CG1 4.48Å; L108-L293 HydrophobicContact CD1-CD1 4.04Å; L108-Y357 HydrophobicContact CD2-CD1 3.95Å; L108-Y357 HydrophobicContact CD2-CE1 3.84Å; L108-I363 HydrophobicContact CD2-CD1 3.83Å; L108-I363 HydrophobicContact CD2-CG1 4.25Å
109N92.4Very high93.8Very high58 Ų5859.1 Ų59.131%0.3133%0.325SS..Hα-helixtrans-67.3-36.9179.2-72-25.8000112.2L105 M111 S112 T113L105-N109 WeakPolarHBondContact O-CB 3.18Å; L105-N109 PolarHBondContact O-N 2.76Å; L105-N109 PolarHBondContact O-ND2 3.08Å; N109-M111 VanDerWaalsContact C-N 3.33Å; N109-S112 PolarHBondContact O-N 3.18Å; N109-T113 PolarHBondContact O-N 3.26Å; N109-T113 PolarHBondContact O-OG1 3.4Å
110S92.6Very high93.6Very high61 Ų6158 Ų5843%0.42732%0.321SS..Hα-helixtrans-61.3-43.8173.2-172.10000110.9K106 S107 T113 E114K106-S110 VanDerWaalsContact O-CB 3.23Å; K106-S110 WeakPolarHBondContact O-CB 3.34Å; K106-S110 PolarHBondContact O-N 3.04Å; S107-S110 PolarHBondContact O-N 3.22Å; S110-T113 PolarHBondContact O-N 2.67Å; S110-E114 VanDerWaalsContact O-CB 3.26Å; S110-E114 WeakPolarHBondContact O-CB 3.39Å; S110-E114 PolarHBondContact O-N 3.15Å
111M94Very high93.5Very high2 Ų262 Ų621%0.0134%0.336CS..Hα-helixtrans-64.4-43.9177-172.5-169.8-53.900111.9S107 L108 N109 T113 E114 L115 F148 R149 V151 L289 L293S107-M111 WeakPolarHBondContact O-CB 2.78Å; S107-M111 PolarHBondContact O-N 3.19Å; L108-M111 WeakPolarHBondContact O-CB 3.46Å; L108-M111 PolarHBondContact O-N 3Å; N109-M111 VanDerWaalsContact C-N 3.33Å; M111-T113 VanDerWaalsContact C-N 3.28Å; M111-T113 PolarHBondContact O-N 3.25Å; M111-E114 PolarHBondContact O-N 3.15Å; M111-L115 HydrophobicContact CG-CD1 3.72Å; M111-L115 HydrophobicContact CG-CG 4.23Å; M111-L115 WeakPolarHBondContact O-CB 3.25Å; M111-L115 WeakPolarHBondContact O-CG 3.44Å; M111-L115 PolarHBondContact O-N 2.79Å; M111-L115 HydrophobicContact SD-CD1 4.44Å; M111-F148 HydrophobicContact SD-CD1 4.03Å; M111-R149 HydrophobicContact CE-CG 4.16Å; M111-R149 WeakPolarHBondContact CE-O 3.37Å; M111-V151 HydrophobicContact CE-CG2 4.07Å; M111-L289 HydrophobicContact SD-CD2 4.2Å; M111-L293 HydrophobicContact CE-CD2 4.01Å; M111-L293 HydrophobicContact SD-CD2 3.85Å
112S92.8Very high93.5Very high20 Ų2067.3 Ų67.314%0.1436%0.358CS..Hα-helixtrans-55.5-44.8174.5178.20000111.6L108 N109 G116 V117L108-S112 PolarHBondContact O-N 2.78Å; N109-S112 PolarHBondContact O-N 3.18Å; S112-G116 WeakPolarHBondContact O-CA 3.04Å; S112-G116 PolarHBondContact O-N 3.22Å; S112-V117 WeakPolarHBondContact CA-O 3.26Å; S112-V117 WeakPolarHBondContact CB-O 3.22Å; S112-V117 PolarHBondContact O-N 3.3Å; S112-V117 VanDerWaalsContact O-N 3.07Å; S112-V117 PolarHBondContact OG-O 2.85Å
113T92.4Very high93.5Very high117 Ų11760.6 Ų60.672%0.71833%0.329SS*.Hα-helixtrans-69.9-46.3179.8-51.70000112.1N109 S110 M111 L115 G116N109-T113 PolarHBondContact O-N 3.26Å; N109-T113 PolarHBondContact O-OG1 3.4Å; S110-T113 PolarHBondContact O-N 2.67Å; M111-T113 VanDerWaalsContact C-N 3.28Å; M111-T113 PolarHBondContact O-N 3.25Å; T113-L115 PolarHBondContact O-N 2.96Å; T113-G116 PolarHBondContact O-N 3.34Å
114E93.6Very high93.6Very high100 Ų10057.5 Ų57.547%0.46733%0.325SS..Hα-helixtrans-63.7-37.7-179.2-178.3-175.3154.200112.6S110 M111 R149S110-E114 VanDerWaalsContact O-CB 3.26Å; S110-E114 WeakPolarHBondContact O-CB 3.39Å; S110-E114 PolarHBondContact O-N 3.15Å; M111-E114 PolarHBondContact O-N 3.15Å; E114-R149 IonicContact OE1-CZ 3.69Å; E114-R149 IonicContact OE1-NH1 3.49Å; E114-R149 PolarHBondContact OE1-NH1 3.02Å; E114-R149 IonicContact OE1-NH2 3.4Å; E114-R149 IonicContact OE2-CZ 3.15Å; E114-R149 IonicContact OE2-NH1 3.69Å; E114-R149 PolarHBondContact OE2-NH1 3.29Å; E114-R149 IonicContact OE2-NH2 3.34Å; E114-R149 PolarHBondContact OE2-NH2 3.39Å
115L92.7Very high93.6Very high20 Ų2058.9 Ų58.911%0.10534%0.344CS..Hα-helixtrans-89.2-12.4-179.4-58.9-176.1000113.1M111 T113 V117 R147 F148M111-L115 HydrophobicContact CG-CD1 3.72Å; M111-L115 HydrophobicContact CG-CG 4.23Å; M111-L115 WeakPolarHBondContact O-CB 3.25Å; M111-L115 WeakPolarHBondContact O-CG 3.44Å; M111-L115 PolarHBondContact O-N 2.79Å; M111-L115 HydrophobicContact SD-CD1 4.44Å; T113-L115 PolarHBondContact O-N 2.96Å; L115-V117 HydrophobicContact CB-CB 4.39Å; L115-V117 HydrophobicContact CB-CG2 3.87Å; L115-V117 PolarHBondContact O-N 3.32Å; L115-R147 HydrophobicContact CD2-CB 3.7Å; L115-F148 HydrophobicContact CD1-CD1 3.75Å; L115-F148 HydrophobicContact CD1-CD2 4.34Å; L115-F148 HydrophobicContact CD1-CE1 3.61Å; L115-F148 HydrophobicContact CD1-CE2 4.23Å; L115-F148 HydrophobicContact CD1-CG 4.13Å; L115-F148 HydrophobicContact CD1-CZ 3.88Å
116G90.9Very high93.7Very high65 Ų6560.7 Ų60.767%0.6736%0.364SS*.THydrogen-bonded Turntrans65.324.7-172.700000113S112 T113S112-G116 WeakPolarHBondContact O-CA 3.04Å; S112-G116 PolarHBondContact O-N 3.22Å; T113-G116 PolarHBondContact O-N 3.34Å
117V91.3Very high93.8Very high40 Ų4056 Ų5624%0.24234%0.344CS..  trans-103.4121.8-176.8178.70000108.7S112 L115 F148S112-V117 WeakPolarHBondContact CA-O 3.26Å; S112-V117 WeakPolarHBondContact CB-O 3.22Å; S112-V117 PolarHBondContact O-N 3.3Å; S112-V117 VanDerWaalsContact O-N 3.07Å; S112-V117 PolarHBondContact OG-O 2.85Å; L115-V117 HydrophobicContact CB-CB 4.39Å; L115-V117 HydrophobicContact CB-CG2 3.87Å; L115-V117 PolarHBondContact O-N 3.32Å; V117-F148 HydrophobicContact CG2-CZ 4.32Å
118P91.8Very high93.9Very high63 Ų6356.4 Ų56.441%0.40934%0.342SS..  trans-67.5151.1178.129.5-35.4000111.1A120 R121P118-A120 VanDerWaalsContact C-N 3.27Å; P118-A120 PolarHBondContact O-N 3.39Å; P118-R121 HydrophobicContact CG-CB 4.03Å; P118-R121 HydrophobicContact CG-CG 4.32Å
119L92.3Very high94Very high26 Ų2663.4 Ų63.414%0.13637%0.373CS..SBendtrans-59.3-39.7176.6-66.3176.3000112.1L108 L288 L289 S342 Y357L108-L119 HydrophobicContact CD2-CD2 4.39Å; L108-L119 HydrophobicContact CG-CD2 4.2Å; L119-L288 CarbonylContact O-C 3.58Å; L119-L288 VanDerWaalsContact O-CA 3.31Å; L119-L288 WeakPolarHBondContact O-CA 3.41Å; L119-L289 HydrophobicContact CD2-CB 4.45Å; L119-L289 HydrophobicContact CD2-CD1 4.11Å; L119-L289 PolarHBondContact O-N 2.88Å; L119-S342 WeakPolarHBondContact CD1-OG 3.23Å; L119-Y357 HydrophobicContact CB-CD2 4.25Å; L119-Y357 HydrophobicContact CB-CE1 4.18Å; L119-Y357 HydrophobicContact CB-CE2 3.83Å; L119-Y357 HydrophobicContact CD1-CD1 4.47Å; L119-Y357 HydrophobicContact CD2-CD1 4.35Å; L119-Y357 HydrophobicContact CD2-CE1 3.87Å; L119-Y357 HydrophobicContact CG-CE1 4.47Å; L119-Y357 WeakPolarHBondContact O-CE2 3.13Å; L119-Y357 PolarHBondContact O-OH 3.41Å
120A93.5Very high94.1Very high56 Ų5665.4 Ų65.446%0.46338%0.38SS..EExtended strand (participates in β ladder)trans-142.5138.4174.500000110.2P118 N287 L288 Y357P118-A120 VanDerWaalsContact C-N 3.27Å; P118-A120 PolarHBondContact O-N 3.39Å; A120-N287 CarbonylContact C-O 3.38Å; A120-N287 WeakPolarHBondContact CA-O 3.33Å; A120-L288 HydrophobicContact CB-CD2 3.62Å; A120-Y357 HydrophobicContact CB-CE2 4.41Å
121R94.3Very high94.2Very high91 Ų9163.3 Ų63.334%0.34336%0.364SS..EExtended strand (participates in β ladder)trans-140.6149.7168.167.9174.9-177.7104.92.6110.7P118 E127 H286 N287P118-R121 HydrophobicContact CG-CB 4.03Å; P118-R121 HydrophobicContact CG-CG 4.32Å; R121-E127 IonicContact CZ-OE1 2.66Å; R121-E127 IonicContact CZ-OE2 2.72Å; R121-E127 IonicContact NH1-OE1 3.24Å; R121-E127 PolarHBondContact NH1-OE1 3.42Å; R121-E127 IonicContact NH1-OE2 3.21Å; R121-E127 IonicContact NH2-OE1 2.94Å; R121-E127 PolarHBondContact NH2-OE1 2.93Å; R121-E127 IonicContact NH2-OE2 3.96Å; R121-E127 PolarHBondContact NH2-OE2 3.5Å; R121-H286 WeakPolarHBondContact O-CA 3.14Å; R121-N287 HydrophobicContact CG-CB 3.98Å; R121-N287 PolarHBondContact N-O 2.86Å; R121-N287 PolarHBondContact NH2-ND2 3.39Å; R121-N287 PolarHBondContact O-N 3.37Å
122K95.6Very high94.3Very high153 Ų15367 Ų6767%0.66538%0.383SS*.EExtended strand (participates in β ladder)trans-69.5132.1167.6-169.5173.4-177175.60109.1
123R96.1Very high94.4Very high21 Ų2172.4 Ų72.48%0.07941%0.411CS..PPolyproline II helixtrans-72.2138175.2-75.6-164.5-168.372.4-0.5110.6E127 Q128 V283 I284 Q285 H286 N287 D291R123-E127 HydrophobicContact CB-CB 4.21Å; R123-E127 HydrophobicContact CG-CB 4.48Å; R123-Q128 HydrophobicContact CB-CG 3.83Å; R123-Q128 PolarHBondContact O-NE2 3.37Å; R123-V283 VanDerWaalsContact CZ-O 3.26Å; R123-V283 PolarHBondContact NH1-O 3.02Å; R123-I284 WeakPolarHBondContact CD-O 3.36Å; R123-I284 PolarHBondContact NH1-O 3.14Å; R123-I284 VanDerWaalsContact NH1-O 3.08Å; R123-Q285 PolarHBondContact N-O 2.95Å; R123-H286 PolarHBondContact NH1-O 3.25Å; R123-N287 HydrophobicContact CG-CB 3.77Å; R123-N287 VanDerWaalsContact CZ-CA 3.45Å; R123-N287 VanDerWaalsContact NH1-N 3.18Å; R123-D291 IonicContact NH2-OD2 3.19Å; R123-D291 PolarHBondContact NH2-OD2 2.95Å
124P96.8Very high94.5Very high63 Ų6369.5 Ų69.541%0.40939%0.388SS..PPolyproline II helixtrans-56.4154166.1-2332.9000112.1A126 E127 Q128P124-A126 PolarHBondContact O-N 3.09Å; P124-E127 VanDerWaalsContact CD-CD 3.48Å; P124-E127 VanDerWaalsContact CD-OE1 3.3Å; P124-E127 WeakPolarHBondContact CD-OE1 3.39Å; P124-E127 HydrophobicContact CG-CG 4.41Å; P124-E127 PolarHBondContact O-N 3.1Å; P124-Q128 WeakPolarHBondContact O-CG 3.32Å; P124-Q128 PolarHBondContact O-N 3.34Å
125G96.8Very high94.6Very high46 Ų4665.1 Ų65.147%0.47437%0.367SS..Hα-helixtrans-60.3-28.2-17800000114.4K129G125-K129 WeakPolarHBondContact O-CG 3.45Å; G125-K129 PolarHBondContact O-N 2.92Å; G125-K129 VanDerWaalsContact O-N 3.13Å
126A96.3Very high94.7Very high76 Ų7669.4 Ų69.463%0.62839%0.39SS*.Hα-helixtrans-67.5-50.4174.600000111.8P124 Q128 K129 E130P124-A126 PolarHBondContact O-N 3.09Å; A126-Q128 VanDerWaalsContact C-N 3.27Å; A126-Q128 PolarHBondContact O-N 2.93Å; A126-K129 PolarHBondContact O-N 3.2Å; A126-E130 PolarHBondContact O-N 2.72Å
127E94.8Very high94.9Very high62 Ų6272 Ų7229%0.2939%0.385SS..Hα-helixtrans-59.5-38175.9-66.4-178.3-145.900111.3R121 R123 P124 E130 L131R121-E127 IonicContact CZ-OE1 2.66Å; R121-E127 IonicContact CZ-OE2 2.72Å; R121-E127 IonicContact NH1-OE1 3.24Å; R121-E127 PolarHBondContact NH1-OE1 3.42Å; R121-E127 IonicContact NH1-OE2 3.21Å; R121-E127 IonicContact NH2-OE1 2.94Å; R121-E127 PolarHBondContact NH2-OE1 2.93Å; R121-E127 IonicContact NH2-OE2 3.96Å; R121-E127 PolarHBondContact NH2-OE2 3.5Å; R123-E127 HydrophobicContact CB-CB 4.21Å; R123-E127 HydrophobicContact CG-CB 4.48Å; P124-E127 VanDerWaalsContact CD-CD 3.48Å; P124-E127 VanDerWaalsContact CD-OE1 3.3Å; P124-E127 WeakPolarHBondContact CD-OE1 3.39Å; P124-E127 HydrophobicContact CG-CG 4.41Å; P124-E127 PolarHBondContact O-N 3.1Å; E127-E130 PolarHBondContact O-N 3.12Å; E127-L131 WeakPolarHBondContact O-CB 3.2Å; E127-L131 PolarHBondContact O-N 3.11Å
128Q96.9Very high94.9Very high44 Ų4470.1 Ų70.121%0.20637%0.373CS..Hα-helixtrans-62.9-45.7176.1-68.3-176.73600112.1R123 P124 A126 L131 I132 I284R123-Q128 HydrophobicContact CB-CG 3.83Å; R123-Q128 PolarHBondContact O-NE2 3.37Å; P124-Q128 WeakPolarHBondContact O-CG 3.32Å; P124-Q128 PolarHBondContact O-N 3.34Å; A126-Q128 VanDerWaalsContact C-N 3.27Å; A126-Q128 PolarHBondContact O-N 2.93Å; Q128-L131 PolarHBondContact O-N 3.47Å; Q128-I132 WeakPolarHBondContact O-CD1 3.29Å; Q128-I132 WeakPolarHBondContact O-CG1 3.42Å; Q128-I132 PolarHBondContact O-N 2.89Å; Q128-I284 HydrophobicContact CB-CG2 3.86Å; Q128-I284 HydrophobicContact CG-CG2 4.05Å
129K96.5Very high94.6Very high148 Ų14867.7 Ų67.764%0.64336%0.36SS*.Hα-helixtrans-63.6-41.7178.4-74.8177.9-179.1-175.30111.8G125 A126 I132 N133G125-K129 WeakPolarHBondContact O-CG 3.45Å; G125-K129 PolarHBondContact O-N 2.92Å; G125-K129 VanDerWaalsContact O-N 3.13Å; A126-K129 PolarHBondContact O-N 3.2Å; K129-I132 PolarHBondContact O-N 3.31Å; K129-N133 VanDerWaalsContact O-CG 3.23Å; K129-N133 PolarHBondContact O-N 3.14Å; K129-N133 VanDerWaalsContact O-N 3.11Å; K129-N133 PolarHBondContact O-ND2 2.88Å
130E94.3Very high94.3Very high99 Ų9971.1 Ų71.146%0.46338%0.382SS..Hα-helixtrans-60.8-49.5176.6-176.5176.7-174.600111.4A126 E127 I132 N133 K134A126-E130 PolarHBondContact O-N 2.72Å; E127-E130 PolarHBondContact O-N 3.12Å; E130-I132 VanDerWaalsContact C-N 3.32Å; E130-I132 PolarHBondContact O-N 3.31Å; E130-N133 PolarHBondContact O-N 2.63Å; E130-N133 VanDerWaalsContact O-N 3.15Å; E130-K134 HydrophobicContact CG-CD 3.99Å; E130-K134 WeakPolarHBondContact O-CB 3.35Å; E130-K134 PolarHBondContact O-N 3.05Å; E130-K134 IonicContact OE1-NZ 3.32Å; E130-K134 PolarHBondContact OE1-NZ 3.07Å
131L94.4Very high93.6Very high17 Ų1770.5 Ų70.59%0.08937%0.371CS..Hα-helixtrans-66-33.2-179.8-17657000112.9E127 Q128 W135 M138E127-L131 WeakPolarHBondContact O-CB 3.2Å; E127-L131 PolarHBondContact O-N 3.11Å; Q128-L131 PolarHBondContact O-N 3.47Å; L131-W135 HydrophobicContact CD1-CE3 4.43Å; L131-W135 HydrophobicContact CG-CE3 4.47Å; L131-W135 WeakPolarHBondContact O-CA 3.43Å; L131-W135 PolarHBondContact O-N 2.86Å; L131-M138 HydrophobicContact CD1-CG 4.17Å; L131-M138 HydrophobicContact CD1-SD 3.78Å
132I96.3Very high92.5Very high79 Ų7974.7 Ų74.741%0.40539%0.394SS..Hα-helixtrans-61.2-48.1172.1-73.8162.8000110.3Q128 K129 E130 K134 W135 I284Q128-I132 WeakPolarHBondContact O-CD1 3.29Å; Q128-I132 WeakPolarHBondContact O-CG1 3.42Å; Q128-I132 PolarHBondContact O-N 2.89Å; K129-I132 PolarHBondContact O-N 3.31Å; E130-I132 VanDerWaalsContact C-N 3.32Å; E130-I132 PolarHBondContact O-N 3.31Å; I132-K134 VanDerWaalsContact C-N 3.34Å; I132-K134 PolarHBondContact O-N 2.97Å; I132-W135 PolarHBondContact O-N 2.98Å; I132-I284 HydrophobicContact CD1-CG2 4.01Å; I132-I284 HydrophobicContact CG1-CD1 3.71Å; I132-I284 HydrophobicContact CG1-CG1 4.13Å; I132-I284 HydrophobicContact CG1-CG2 3.88Å
133N95.2Very high91.6Very high134 Ų13469.6 Ų69.672%0.71738%0.377SS*.Hα-helixtrans-67.3-36.3-177.4-67.7-12.8000111.9K129 E130K129-N133 VanDerWaalsContact O-CG 3.23Å; K129-N133 PolarHBondContact O-N 3.14Å; K129-N133 VanDerWaalsContact O-N 3.11Å; K129-N133 PolarHBondContact O-ND2 2.88Å; E130-N133 PolarHBondContact O-N 2.63Å; E130-N133 VanDerWaalsContact O-N 3.15Å
134K94.8Very high90.9Very high57 Ų5771.9 Ų71.925%0.24841%0.408CS..THydrogen-bonded Turntrans-94.68-177.8-65.5-177.9174.6178.20114.4E130 I132 N136 E137 M138 D141E130-K134 HydrophobicContact CG-CD 3.99Å; E130-K134 WeakPolarHBondContact O-CB 3.35Å; E130-K134 PolarHBondContact O-N 3.05Å; E130-K134 IonicContact OE1-NZ 3.32Å; E130-K134 PolarHBondContact OE1-NZ 3.07Å; I132-K134 VanDerWaalsContact C-N 3.34Å; I132-K134 PolarHBondContact O-N 2.97Å; K134-N136 PolarHBondContact O-N 2.61Å; K134-E137 CarbonylContact O-C 3.38Å; K134-E137 PolarHBondContact O-N 2.67Å; K134-M138 WeakPolarHBondContact O-CG 3.23Å; K134-M138 PolarHBondContact O-N 2.85Å; K134-D141 IonicContact NZ-OD1 2.79Å; K134-D141 PolarHBondContact NZ-OD1 3.48Å; K134-D141 IonicContact NZ-OD2 2.9Å
135W95.8Very high90.5Very high7 Ų769.3 Ų69.33%0.02739%0.39CS..THydrogen-bonded Turntrans-55.1-30.8-172.1-178.1-96.9000114.2L131 I132 M138 R280 V283 Q317L131-W135 HydrophobicContact CD1-CE3 4.43Å; L131-W135 HydrophobicContact CG-CE3 4.47Å; L131-W135 WeakPolarHBondContact O-CA 3.43Å; L131-W135 PolarHBondContact O-N 2.86Å; I132-W135 PolarHBondContact O-N 2.98Å; W135-M138 HydrophobicContact CD2-CE 4.13Å; W135-M138 HydrophobicContact CE3-CE 4.01Å; W135-M138 HydrophobicContact CE3-SD 4.19Å; W135-M138 HydrophobicContact CH2-CE 4.38Å; W135-M138 HydrophobicContact CZ2-CE 4.49Å; W135-M138 HydrophobicContact CZ3-CE 4.15Å; W135-M138 HydrophobicContact CZ3-SD 4.34Å; W135-M138 VanDerWaalsContact O-CE 3.27Å; W135-M138 WeakPolarHBondContact O-CE 3.31Å; W135-R280 HydrophobicContact CD2-CG 4.09Å; W135-R280 HydrophobicContact CE3-CG 4.26Å; W135-R280 HydrophobicContact CH2-CB 4.23Å; W135-R280 HydrophobicContact CH2-CG 3.77Å; W135-R280 HydrophobicContact CZ2-CB 4.06Å; W135-R280 HydrophobicContact CZ2-CG 3.57Å; W135-R280 HydrophobicContact CZ3-CG 4.1Å; W135-V283 HydrophobicContact CH2-CB 4.05Å; W135-V283 HydrophobicContact CH2-CG1 3.95Å; W135-V283 HydrophobicContact CH2-CG2 4.37Å; W135-V283 HydrophobicContact CZ3-CB 4.04Å; W135-V283 HydrophobicContact CZ3-CG1 3.65Å; W135-Q317 HydrophobicContact CZ2-CB 4.25Å; W135-Q317 HydrophobicContact CZ2-CG 3.99Å; W135-Q317 PolarHBondContact O-NE2 3.45Å
136N95Very high90.1Very high111 Ų11174.5 Ų74.559%0.59441%0.407SS*.THydrogen-bonded Turntrans-95.81.2179-62.8-31.3000113.8K134 Q317K134-N136 PolarHBondContact O-N 2.61Å; N136-Q317 PolarHBondContact OD1-NE2 2.98Å
137E93.4Very high89.8Confident119 Ų11978.6 Ų78.656%0.55641%0.406SS*.  trans-136.824.6-174.3-61.5177.7-174.700111.2K134 G139 T140 D313K134-E137 CarbonylContact O-C 3.38Å; K134-E137 PolarHBondContact O-N 2.67Å; E137-G139 PolarHBondContact O-N 3.03Å; E137-G139 VanDerWaalsContact O-N 3.16Å; E137-T140 HydrophobicContact CB-CG2 4.38Å; E137-T140 WeakPolarHBondContact O-CB 3.49Å; E137-T140 PolarHBondContact O-N 3.35Å; E137-T140 VanDerWaalsContact O-N 3.07Å; E137-T140 PolarHBondContact O-OG1 2.87Å; E137-D313 VanDerWaalsContact CA-OD1 3.28Å; E137-D313 WeakPolarHBondContact CA-OD1 3.04Å
138M92.4Very high89.7Confident0 Ų076.7 Ų76.70%040%0.397CS..G310 helixtrans-59.7-23.4179.8-71.9-171.7-7900113.1L131 K134 W135 T140 D141 D313 Y316 Q317 L320L131-M138 HydrophobicContact CD1-CG 4.17Å; L131-M138 HydrophobicContact CD1-SD 3.78Å; K134-M138 WeakPolarHBondContact O-CG 3.23Å; K134-M138 PolarHBondContact O-N 2.85Å; W135-M138 HydrophobicContact CD2-CE 4.13Å; W135-M138 HydrophobicContact CE3-CE 4.01Å; W135-M138 HydrophobicContact CE3-SD 4.19Å; W135-M138 HydrophobicContact CH2-CE 4.38Å; W135-M138 HydrophobicContact CZ2-CE 4.49Å; W135-M138 HydrophobicContact CZ3-CE 4.15Å; W135-M138 HydrophobicContact CZ3-SD 4.34Å; W135-M138 VanDerWaalsContact O-CE 3.27Å; W135-M138 WeakPolarHBondContact O-CE 3.31Å; M138-T140 PolarHBondContact O-N 3.4Å; M138-D141 PolarHBondContact O-N 3.03Å; M138-D313 PolarHBondContact N-OD1 2.9Å; M138-Y316 HydrophobicContact CB-CD2 3.69Å; M138-Y316 HydrophobicContact CB-CE2 4.45Å; M138-Y316 HydrophobicContact CB-CG 4.46Å; M138-Q317 HydrophobicContact CE-CG 3.63Å; M138-L320 HydrophobicContact SD-CD1 4.11Å
139G85.7Confident89.5Confident12 Ų1279.9 Ų79.912%0.12441%0.407CS..G310 helixtrans-66.5-22.1175.700000114.3E137 D141 K299 E312 D313E137-G139 PolarHBondContact O-N 3.03Å; E137-G139 VanDerWaalsContact O-N 3.16Å; G139-D141 VanDerWaalsContact C-N 3.3Å; G139-K299 PolarHBondContact O-NZ 3.43Å; G139-E312 VanDerWaalsContact CA-CD 3.41Å; G139-E312 WeakPolarHBondContact CA-OE1 3.13Å; G139-D313 PolarHBondContact N-OD1 2.98Å
140T84.8Confident89.3Confident98 Ų9875.3 Ų75.360%0.60139%0.393SS*.G310 helixtrans-76.8-17.8176.668.40000113E137 M138E137-T140 HydrophobicContact CB-CG2 4.38Å; E137-T140 WeakPolarHBondContact O-CB 3.49Å; E137-T140 PolarHBondContact O-N 3.35Å; E137-T140 VanDerWaalsContact O-N 3.07Å; E137-T140 PolarHBondContact O-OG1 2.87Å; M138-T140 PolarHBondContact O-N 3.4Å
141D79Confident89.3Confident43 Ų4371.1 Ų71.123%0.2337%0.374CS..  trans-76.1132.8177.4-71.5-33.7000110.1K134 M138 G139 P143K134-D141 IonicContact NZ-OD1 2.79Å; K134-D141 PolarHBondContact NZ-OD1 3.48Å; K134-D141 IonicContact NZ-OD2 2.9Å; M138-D141 PolarHBondContact O-N 3.03Å; G139-D141 VanDerWaalsContact C-N 3.3Å; D141-P143 WeakPolarHBondContact O-CD 3.42Å
142E71.4Confident89.3Confident179 Ų17971.1 Ų71.184%0.83637%0.373SS*.  trans-104.982.9168.5-71.1-160.2163.100110.3
143P76.6Confident89.3Confident46 Ų4668.6 Ų68.630%0.29936%0.364SS..  trans-62.6147.1173.621.5-28.1000110.5D141 L145 Y295D141-P143 WeakPolarHBondContact O-CD 3.42Å; P143-L145 HydrophobicContact CB-CD2 3.99Å; P143-L145 HydrophobicContact CB-CG 3.92Å; P143-L145 HydrophobicContact CG-CD1 3.78Å; P143-L145 HydrophobicContact CG-CD2 4.05Å; P143-L145 HydrophobicContact CG-CG 3.74Å; P143-L145 WeakPolarHBondContact O-CG 3.27Å; P143-L145 PolarHBondContact O-N 2.96Å; P143-Y295 HydrophobicContact CG-CD1 4.39Å; P143-Y295 HydrophobicContact CG-CG 4.34Å
144G82.5Confident89.3Confident70 Ų7062.8 Ų62.872%0.72233%0.334SS*.  trans-68.973.3176.400000112.7
145L88.6Confident89.4Confident9 Ų967.2 Ų67.25%0.04735%0.353CS..  trans-93.36.5-170.3-60.5174.6000114.6P143 R147 F148 N292 K296P143-L145 HydrophobicContact CB-CD2 3.99Å; P143-L145 HydrophobicContact CB-CG 3.92Å; P143-L145 HydrophobicContact CG-CD1 3.78Å; P143-L145 HydrophobicContact CG-CD2 4.05Å; P143-L145 HydrophobicContact CG-CG 3.74Å; P143-L145 WeakPolarHBondContact O-CG 3.27Å; P143-L145 PolarHBondContact O-N 2.96Å; L145-R147 PolarHBondContact O-N 3.46Å; L145-F148 HydrophobicContact CD2-CD2 4.25Å; L145-F148 PolarHBondContact O-N 2.88Å; L145-F148 VanDerWaalsContact O-N 3.08Å; L145-N292 HydrophobicContact CD2-CB 4.15Å; L145-K296 HydrophobicContact CB-CD 3.78Å; L145-K296 HydrophobicContact CD1-CB 4.19Å; L145-K296 HydrophobicContact CD1-CD 4.28Å; L145-K296 PolarHBondContact O-NZ 2.89Å
146N87.7Confident89.4Confident155 Ų15569.8 Ų69.883%0.82937%0.367SS*.THydrogen-bonded Turntrans-62.9-27.8-174-66.8-18.7000113.2
147R89.9Confident89.6Confident161 Ų16164.6 Ų64.661%0.60834%0.339SS*.THydrogen-bonded Turntrans-86-12.9178.7-60179.564-169.6-2.4113.5L115 L145L115-R147 HydrophobicContact CD2-CB 3.7Å; L145-R147 PolarHBondContact O-N 3.46Å
148F92.6Very high89.8Confident22 Ų2259.1 Ų59.110%0.09631%0.314CS..  trans-88.2122.7180-71.9-91.5000110.2M111 L115 V117 L145 N292 L293M111-F148 HydrophobicContact SD-CD1 4.03Å; L115-F148 HydrophobicContact CD1-CD1 3.75Å; L115-F148 HydrophobicContact CD1-CD2 4.34Å; L115-F148 HydrophobicContact CD1-CE1 3.61Å; L115-F148 HydrophobicContact CD1-CE2 4.23Å; L115-F148 HydrophobicContact CD1-CG 4.13Å; L115-F148 HydrophobicContact CD1-CZ 3.88Å; V117-F148 HydrophobicContact CG2-CZ 4.32Å; L145-F148 HydrophobicContact CD2-CD2 4.25Å; L145-F148 PolarHBondContact O-N 2.88Å; L145-F148 VanDerWaalsContact O-N 3.08Å; F148-N292 HydrophobicContact CD1-CB 3.68Å; F148-N292 HydrophobicContact CD2-CB 4.2Å; F148-N292 HydrophobicContact CE1-CB 3.44Å; F148-N292 VanDerWaalsContact CE1-CB 3.44Å; F148-N292 HydrophobicContact CE2-CB 3.98Å; F148-N292 HydrophobicContact CG-CB 4.05Å; F148-N292 HydrophobicContact CZ-CB 3.6Å; F148-L293 HydrophobicContact CD1-CD2 4.49Å
149R92.2Very high90Very high112 Ų11262.5 Ų62.542%0.42333%0.33SS..  trans-108.1151.217260.5-174.5179.4-111.5-2.9109.8M111 E114M111-R149 HydrophobicContact CE-CG 4.16Å; M111-R149 WeakPolarHBondContact CE-O 3.37Å; E114-R149 IonicContact OE1-CZ 3.69Å; E114-R149 IonicContact OE1-NH1 3.49Å; E114-R149 PolarHBondContact OE1-NH1 3.02Å; E114-R149 IonicContact OE1-NH2 3.4Å; E114-R149 IonicContact OE2-CZ 3.15Å; E114-R149 IonicContact OE2-NH1 3.69Å; E114-R149 PolarHBondContact OE2-NH1 3.29Å; E114-R149 IonicContact OE2-NH2 3.34Å; E114-R149 PolarHBondContact OE2-NH2 3.39Å
150P92.8Very high90.6Very high52 Ų5262.9 Ų62.934%0.33833%0.329SS..  trans-55.7146171.4-23.433.5000111.4Y152 H366P150-Y152 VanDerWaalsContact C-N 3.29Å; P150-Y152 PolarHBondContact O-N 2.99Å; P150-H366 HydrophobicContact CB-CB 3.84Å; P150-H366 HydrophobicContact CG-CB 3.94Å
151V93.5Very high91.2Very high11 Ų1158.2 Ų58.27%0.06730%0.301CS..SBendtrans-66.1-38.3178179.80000110.7I104 S107 L108 M111 L293 I363I104-V151 HydrophobicContact CG2-CG1 3.73Å; S107-V151 PolarHBondContact OG-O 3.3Å; S107-V151 VanDerWaalsContact OG-O 3.1Å; L108-V151 HydrophobicContact CD1-CG2 4.01Å; M111-V151 HydrophobicContact CE-CG2 4.07Å; V151-L293 HydrophobicContact CG2-CD1 3.41Å; V151-L293 VanDerWaalsContact CG2-CD1 3.41Å; V151-L293 HydrophobicContact CG2-CD2 4.32Å; V151-I363 HydrophobicContact CB-CG2 4.2Å; V151-I363 HydrophobicContact CG1-CG2 4.14Å; V151-I363 HydrophobicContact CG2-CG2 3.98Å
152Y95.8Very high92Very high16 Ų1657.4 Ų57.46%0.06330%0.296CS..  trans-157.3158.2170.166.8-81.9000110.4W100 I104 P150 F157 F365 H366W100-Y152 AromaticContact CH2-CD2 3.93Å; W100-Y152 HydrophobicContact CH2-CD2 3.93Å; W100-Y152 AromaticContact CH2-CG 3.9Å; W100-Y152 HydrophobicContact CH2-CG 3.9Å; W100-Y152 HydrophobicContact CZ2-CD1 4.27Å; W100-Y152 AromaticContact CZ2-CD2 3.45Å; W100-Y152 HydrophobicContact CZ2-CD2 3.45Å; W100-Y152 VanDerWaalsContact CZ2-CD2 3.45Å; W100-Y152 AromaticContact CZ2-CE2 3.74Å; W100-Y152 HydrophobicContact CZ2-CE2 3.74Å; W100-Y152 AromaticContact CZ2-CG 3.71Å; W100-Y152 HydrophobicContact CZ2-CG 3.71Å; I104-Y152 HydrophobicContact CD1-CD1 4.03Å; I104-Y152 HydrophobicContact CD1-CE1 3.64Å; I104-Y152 HydrophobicContact CG1-CD1 3.9Å; I104-Y152 HydrophobicContact CG1-CE1 4.02Å; I104-Y152 HydrophobicContact CG2-CD1 4.36Å; I104-Y152 HydrophobicContact CG2-CE1 4.3Å; P150-Y152 VanDerWaalsContact C-N 3.29Å; P150-Y152 PolarHBondContact O-N 2.99Å; Y152-F157 HydrophobicContact CD2-CB 4.45Å; Y152-F365 HydrophobicContact CD1-CB 4.24Å; Y152-F365 HydrophobicContact CD2-CB 3.83Å; Y152-F365 HydrophobicContact CE1-CB 3.77Å; Y152-F365 HydrophobicContact CE2-CB 3.34Å; Y152-F365 HydrophobicContact CE2-CG 4.11Å; Y152-F365 HydrophobicContact CG-CB 4.28Å; Y152-H366 PolarHBondContact O-N 2.79Å; Y152-H366 VanDerWaalsContact O-N 3.11Å
153A95.4Very high93.1Very high27 Ų2752.5 Ų52.522%0.22328%0.282CS..  trans-111.7164.8171.600000111K155 D156 F157 H366A153-K155 PolarHBondContact O-N 2.92Å; A153-K155 VanDerWaalsContact O-N 3.16Å; A153-D156 PolarHBondContact N-OD2 3.44Å; A153-D156 WeakPolarHBondContact O-CB 3.34Å; A153-D156 PolarHBondContact O-N 3.2Å; A153-F157 PolarHBondContact O-N 3.31Å; A153-H366 HydrophobicContact CB-CB 4.33Å
154P96Very high93.9Very high12 Ų1250.6 Ų50.68%0.07827%0.269CS..Hα-helixtrans-52.4-37.5175.4-29.336.3000113.2D156 F157 L158 F365 F444 V448P154-D156 VanDerWaalsContact C-N 3.34Å; P154-D156 PolarHBondContact O-N 3.08Å; P154-F157 PolarHBondContact O-N 2.99Å; P154-L158 PolarHBondContact O-N 3.31Å; P154-F365 HydrophobicContact CG-CD2 4.34Å; P154-F365 HydrophobicContact CG-CE2 4.43Å; P154-F444 HydrophobicContact CB-CD1 4.03Å; P154-F444 HydrophobicContact CB-CE1 4.01Å; P154-F444 WeakPolarHBondContact O-CE1 3.48Å; P154-V448 HydrophobicContact CG-CG1 4.38Å
155K96.1Very high94.2Very high150 Ų15053.7 Ų53.765%0.65226%0.259SS*.Hα-helixtrans-59-42.5177.1-172.7178.1178.6179.30112.6A153 F157 L158 E159A153-K155 PolarHBondContact O-N 2.92Å; A153-K155 VanDerWaalsContact O-N 3.16Å; K155-F157 VanDerWaalsContact C-N 3.29Å; K155-F157 PolarHBondContact O-N 3.16Å; K155-L158 PolarHBondContact O-N 3.38Å; K155-E159 PolarHBondContact O-N 3.05Å
156D96.7Very high94.2Very high61 Ų6154.9 Ų54.933%0.32627%0.265SS..Hα-helixtrans-63.4-39178.5-59.3-57.5000111.7W100 A153 P154W100-D156 HydrophobicContact CH2-CB 4.27Å; A153-D156 PolarHBondContact N-OD2 3.44Å; A153-D156 WeakPolarHBondContact O-CB 3.34Å; A153-D156 PolarHBondContact O-N 3.2Å; P154-D156 VanDerWaalsContact C-N 3.34Å; P154-D156 PolarHBondContact O-N 3.08Å
157F97.8Very high94.1Very high1 Ų152.3 Ų52.30%0.00426%0.257CS..Hα-helixtrans-70.5-39.9179.2-175.8-133.9000111.6W100 Y152 A153 P154 K155 E159 V160 L161 H401 I403 I410 F444W100-F157 AromaticContact CD1-CD2 3.92Å; W100-F157 AromaticContact CD1-CE2 3.67Å; W100-F157 HydrophobicContact CD2-CD2 4.14Å; W100-F157 AromaticContact CE2-CD2 3.44Å; W100-F157 VanDerWaalsContact CE2-CD2 3.44Å; W100-F157 HydrophobicContact CG-CD2 4.39Å; W100-F157 HydrophobicContact CG-CE2 4.37Å; W100-F157 HydrophobicContact CH2-CB 4.36Å; W100-F157 HydrophobicContact CZ2-CB 3.88Å; W100-F157 AromaticContact CZ2-CD2 3.71Å; W100-F157 HydrophobicContact CZ2-CD2 3.71Å; W100-F157 HydrophobicContact CZ2-CG 4.13Å; W100-F157 AromaticContact NE1-CD2 3.28Å; W100-F157 VanDerWaalsContact NE1-CD2 3.28Å; W100-F157 AromaticContact NE1-CE2 3.41Å; Y152-F157 HydrophobicContact CD2-CB 4.45Å; A153-F157 PolarHBondContact O-N 3.31Å; P154-F157 PolarHBondContact O-N 2.99Å; K155-F157 VanDerWaalsContact C-N 3.29Å; K155-F157 PolarHBondContact O-N 3.16Å; F157-E159 VanDerWaalsContact C-N 3.31Å; F157-E159 PolarHBondContact O-N 2.99Å; F157-V160 WeakPolarHBondContact O-CA 3.34Å; F157-V160 WeakPolarHBondContact O-CB 3.37Å; F157-V160 PolarHBondContact O-N 3.18Å; F157-L161 HydrophobicContact CD2-CD2 4.48Å; F157-L161 HydrophobicContact CE1-CD1 4.32Å; F157-L161 HydrophobicContact CE1-CD2 4.43Å; F157-L161 HydrophobicContact CE2-CD2 3.9Å; F157-L161 HydrophobicContact CZ-CD2 3.86Å; F157-L161 HydrophobicContact CZ-CG 4.46Å; F157-L161 PolarHBondContact O-N 3.36Å; F157-L161 VanDerWaalsContact O-N 3.13Å; F157-H401 HydrophobicContact CE1-CB 4.47Å; F157-I403 HydrophobicContact CE2-CD1 4.1Å; F157-I403 HydrophobicContact CE2-CG1 3.69Å; F157-I403 HydrophobicContact CZ-CG1 3.98Å; F157-I410 HydrophobicContact CE1-CG1 4.46Å; F157-I410 HydrophobicContact CE1-CG2 3.84Å; F157-I410 HydrophobicContact CZ-CG2 4.02Å; F157-F444 HydrophobicContact CD1-CE1 4.26Å; F157-F444 AromaticContact CD1-CZ 3.73Å; F157-F444 HydrophobicContact CD1-CZ 3.73Å; F157-F444 HydrophobicContact CE1-CZ 4.31Å; F157-F444 HydrophobicContact CG-CZ 4.49Å
158L98.2Very high93.7Very high4 Ų452 Ų522%0.02127%0.268CS..Hα-helixtrans-56.7-43.9174.3178.558.5000111.7P154 K155 V160 L161 I162 L440 R441 F444P154-L158 PolarHBondContact O-N 3.31Å; K155-L158 PolarHBondContact O-N 3.38Å; L158-V160 PolarHBondContact O-N 3.04Å; L158-L161 WeakPolarHBondContact O-CA 3.36Å; L158-L161 WeakPolarHBondContact O-CB 3.21Å; L158-L161 PolarHBondContact O-N 2.86Å; L158-I162 HydrophobicContact CD1-CD1 4.14Å; L158-I162 HydrophobicContact CD1-CG1 4.04Å; L158-I162 HydrophobicContact CD2-CD1 4.37Å; L158-I162 HydrophobicContact CG-CD1 3.8Å; L158-I162 HydrophobicContact CG-CG1 4.18Å; L158-I162 VanDerWaalsContact O-CG1 3.29Å; L158-I162 WeakPolarHBondContact O-CG1 3.22Å; L158-I162 PolarHBondContact O-N 2.93Å; L158-L440 HydrophobicContact CD1-CD2 3.94Å; L158-L440 HydrophobicContact CD1-CG 4.15Å; L158-R441 HydrophobicContact CD2-CB 4.49Å; L158-R441 HydrophobicContact CD2-CG 4.12Å; L158-F444 HydrophobicContact CB-CD1 3.7Å; L158-F444 HydrophobicContact CB-CD2 4.37Å; L158-F444 HydrophobicContact CB-CE1 3.71Å; L158-F444 HydrophobicContact CB-CE2 4.37Å; L158-F444 HydrophobicContact CB-CG 4.03Å; L158-F444 HydrophobicContact CB-CZ 4.03Å; L158-F444 HydrophobicContact CD1-CB 4.44Å; L158-F444 HydrophobicContact CD1-CD2 3.7Å; L158-F444 HydrophobicContact CD1-CE2 3.97Å; L158-F444 HydrophobicContact CD1-CG 3.97Å; L158-F444 HydrophobicContact CD1-CZ 4.47Å; L158-F444 HydrophobicContact CD2-CB 3.93Å; L158-F444 HydrophobicContact CD2-CD1 4.33Å; L158-F444 HydrophobicContact CD2-CG 4.04Å; L158-F444 HydrophobicContact CG-CD1 4.38Å; L158-F444 HydrophobicContact CG-CD2 4.42Å; L158-F444 HydrophobicContact CG-CG 4.22Å
159E97.6Very high93Very high72 Ų7255.5 Ų55.534%0.33628%0.284SS..Hα-helixtrans-59.2-33.1177.4-62.2-52.5146.100112.3K155 F157 S163 R441K155-E159 PolarHBondContact O-N 3.05Å; F157-E159 VanDerWaalsContact C-N 3.31Å; F157-E159 PolarHBondContact O-N 2.99Å; E159-S163 PolarHBondContact O-N 3.13Å; E159-S163 VanDerWaalsContact O-N 3.15Å; E159-R441 IonicContact OE1-CZ 2.99Å; E159-R441 VanDerWaalsContact OE1-CZ 3.24Å; E159-R441 IonicContact OE1-NH1 3.92Å; E159-R441 PolarHBondContact OE1-NH1 2.79Å; E159-R441 IonicContact OE1-NH2 3.19Å; E159-R441 PolarHBondContact OE1-NH2 2.99Å; E159-R441 IonicContact OE2-NH2 3.38Å; E159-R441 PolarHBondContact OE2-NH2 3.14Å
160V97.2Very high91.4Very high19 Ų1957.3 Ų57.312%0.11530%0.302CS..Hα-helixtrans-66.5-43.7173.5-178.10000110.6W100 F157 L158 I162 S163 L164 I403W100-V160 HydrophobicContact CB-CG1 4.41Å; W100-V160 HydrophobicContact CD2-CG2 4.22Å; W100-V160 HydrophobicContact CE3-CG2 3.59Å; W100-V160 HydrophobicContact CZ3-CG2 3.81Å; F157-V160 WeakPolarHBondContact O-CA 3.34Å; F157-V160 WeakPolarHBondContact O-CB 3.37Å; F157-V160 PolarHBondContact O-N 3.18Å; L158-V160 PolarHBondContact O-N 3.04Å; V160-I162 PolarHBondContact O-N 3.47Å; V160-S163 PolarHBondContact O-N 2.93Å; V160-S163 VanDerWaalsContact O-N 3.14Å; V160-S163 PolarHBondContact O-OG 2.78Å; V160-L164 PolarHBondContact O-N 3.43Å; V160-I403 HydrophobicContact CG1-CD1 3.67Å
161L97.4Very high89.6Confident1 Ų158.4 Ų58.41%0.00531%0.311CS..Hα-helixtrans-64.4-40.9178.6-54.4-167.9000112.1F157 L158 S163 L164 I184 I403 I410 V411 F444F157-L161 HydrophobicContact CD2-CD2 4.48Å; F157-L161 HydrophobicContact CE1-CD1 4.32Å; F157-L161 HydrophobicContact CE1-CD2 4.43Å; F157-L161 HydrophobicContact CE2-CD2 3.9Å; F157-L161 HydrophobicContact CZ-CD2 3.86Å; F157-L161 HydrophobicContact CZ-CG 4.46Å; F157-L161 PolarHBondContact O-N 3.36Å; F157-L161 VanDerWaalsContact O-N 3.13Å; L158-L161 WeakPolarHBondContact O-CA 3.36Å; L158-L161 WeakPolarHBondContact O-CB 3.21Å; L158-L161 PolarHBondContact O-N 2.86Å; L161-S163 PolarHBondContact O-N 3.38Å; L161-L164 HydrophobicContact CB-CD1 4.41Å; L161-L164 HydrophobicContact CD2-CD1 4.1Å; L161-L164 VanDerWaalsContact O-CB 3.28Å; L161-L164 WeakPolarHBondContact O-CB 3.45Å; L161-L164 WeakPolarHBondContact O-CG 3.32Å; L161-L164 PolarHBondContact O-N 2.93Å; L161-L164 VanDerWaalsContact O-N 3.12Å; L161-I184 HydrophobicContact CB-CD1 3.78Å; L161-I403 HydrophobicContact CD2-CD1 4.13Å; L161-I403 HydrophobicContact CD2-CG1 3.78Å; L161-I410 HydrophobicContact CD1-CG1 4.14Å; L161-I410 HydrophobicContact CD1-CG2 4.06Å; L161-V411 HydrophobicContact CD2-CG2 4.03Å; L161-F444 HydrophobicContact CD1-CE2 3.65Å; L161-F444 HydrophobicContact CD1-CZ 3.93Å
162I95.9Very high87.3Confident25 Ų2561.3 Ų61.313%0.12833%0.331CS..Hα-helixtrans-61.4-31.5175.7-63.6173000110.9L158 V160 L164 R165 L183 I184L158-I162 HydrophobicContact CD1-CD1 4.14Å; L158-I162 HydrophobicContact CD1-CG1 4.04Å; L158-I162 HydrophobicContact CD2-CD1 4.37Å; L158-I162 HydrophobicContact CG-CD1 3.8Å; L158-I162 HydrophobicContact CG-CG1 4.18Å; L158-I162 VanDerWaalsContact O-CG1 3.29Å; L158-I162 WeakPolarHBondContact O-CG1 3.22Å; L158-I162 PolarHBondContact O-N 2.93Å; V160-I162 PolarHBondContact O-N 3.47Å; I162-L164 VanDerWaalsContact C-N 3.3Å; I162-L164 PolarHBondContact O-N 3.42Å; I162-R165 PolarHBondContact O-NH1 3.19Å; I162-L183 HydrophobicContact CD1-CB 4.34Å; I162-L183 HydrophobicContact CD1-CD1 3.85Å; I162-L183 HydrophobicContact CG1-CB 4.03Å; I162-L183 HydrophobicContact CG1-CD1 4.41Å; I162-I184 HydrophobicContact CG1-CD1 4.47Å
163S94.6Very high85Confident77 Ų7769.2 Ų69.254%0.53837%0.369SS..THydrogen-bonded Turntrans-79.2-7.717978.30000114.4E159 V160 L161 R165E159-S163 PolarHBondContact O-N 3.13Å; E159-S163 VanDerWaalsContact O-N 3.15Å; V160-S163 PolarHBondContact O-N 2.93Å; V160-S163 VanDerWaalsContact O-N 3.14Å; V160-S163 PolarHBondContact O-OG 2.78Å; L161-S163 PolarHBondContact O-N 3.38Å; S163-R165 PolarHBondContact O-N 2.94Å
164L93.7Very high82.4Confident6 Ų673.6 Ų73.63%0.03139%0.388CS..  trans-64128.7-179.5-68.7172.3000111.1M93 A96 V160 L161 I162 V186 I403 V411M93-L164 HydrophobicContact SD-CD1 4.14Å; M93-L164 HydrophobicContact SD-CD2 4.36Å; A96-L164 HydrophobicContact CB-CD2 3.2Å; V160-L164 PolarHBondContact O-N 3.43Å; L161-L164 HydrophobicContact CB-CD1 4.41Å; L161-L164 HydrophobicContact CD2-CD1 4.1Å; L161-L164 VanDerWaalsContact O-CB 3.28Å; L161-L164 WeakPolarHBondContact O-CB 3.45Å; L161-L164 WeakPolarHBondContact O-CG 3.32Å; L161-L164 PolarHBondContact O-N 2.93Å; L161-L164 VanDerWaalsContact O-N 3.12Å; I162-L164 VanDerWaalsContact C-N 3.3Å; I162-L164 PolarHBondContact O-N 3.42Å; L164-V186 HydrophobicContact CB-CG1 3.84Å; L164-I403 HydrophobicContact CD1-CG2 3.99Å; L164-I403 HydrophobicContact CD2-CG2 4.12Å; L164-V411 HydrophobicContact CD1-CG1 4.16Å; L164-V411 HydrophobicContact CD1-CG2 4.05Å
165R88.6Confident79.9Confident134 Ų13480.1 Ų80.151%0.50643%0.428SS..  trans-133.7135.9175.9-62.9-66.3178.3-89.1-1.4109.1I162 S163 P167I162-R165 PolarHBondContact O-NH1 3.19Å; S163-R165 PolarHBondContact O-N 2.94Å; R165-P167 WeakPolarHBondContact O-CD 3.44Å
166N88.1Confident77.5Confident34 Ų3477.9 Ų77.918%0.18243%0.431CS..  trans-87.5116.7169.4179.7-10000108.3Y92 N168 H169 P187Y92-N166 HydrophobicContact CD1-CB 4.27Å; Y92-N166 HydrophobicContact CE1-CB 3.93Å; Y92-N166 HydrophobicContact CE2-CB 4.29Å; N166-N168 PolarHBondContact O-N 2.78Å; N166-N168 VanDerWaalsContact O-N 3.16Å; N166-N168 PolarHBondContact OD1-N 2.78Å; N166-H169 HydrophobicContact CB-CB 3.86Å; N166-H169 PolarHBondContact O-N 3.05Å; N166-H169 VanDerWaalsContact O-N 3.14Å; N166-P187 HydrophobicContact CB-CG 4.27Å; N166-P187 WeakPolarHBondContact ND2-CG 3.44Å
167P86.1Confident75.1Confident102 Ų10279 Ų7966%0.66245%0.449SS*.THydrogen-bonded Turntrans-61.1-22.5-178.9-23.333.9000114.8R165R165-P167 WeakPolarHBondContact O-CD 3.44Å
168N82.6Confident72.7Confident154 Ų15489.6 Ų89.682%0.82449%0.489SS*.THydrogen-bonded Turntrans-99.18.2-177.4-60-26.6000112.5N166N166-N168 PolarHBondContact O-N 2.78Å; N166-N168 VanDerWaalsContact O-N 3.16Å; N166-N168 PolarHBondContact OD1-N 2.78Å
169H77.3Confident70.5Confident95 Ų9592.2 Ų92.244%0.4451%0.507SS..SBendtrans-117.3102.6178.7-175.8-80.9000108.4N166 S171 P187N166-H169 HydrophobicContact CB-CB 3.86Å; N166-H169 PolarHBondContact O-N 3.05Å; N166-H169 VanDerWaalsContact O-N 3.14Å; H169-S171 PolarHBondContact O-N 2.67Å; H169-P187 HydrophobicContact CB-CG 4.24Å
170D59Low68.9Low150 Ų15093.3 Ų93.380%0.80251%0.512SS*.  trans-65.7103.3172.1-73.2-29.6000108.4C172D170-C172 PolarHBondContact O-N 3.38Å
171S55.1Low68.3Low75 Ų7597.2 Ų97.252%0.52453%0.525SS..  trans-71.773.915956.20000107.2H169 E173H169-S171 PolarHBondContact O-N 2.67Å; S171-E173 PolarHBondContact O-N 3.48Å
172C45.1Very low67.9Low73 Ų7397.6 Ų97.649%0.49353%0.529SS..  trans-57.4126.8174.5-1740000108.3D170 D174D170-C172 PolarHBondContact O-N 3.38Å; C172-D174 PolarHBondContact O-N 3.32Å
173E45.8Very low67.8Low181 Ų18197.7 Ų97.785%0.84653%0.529SS*.  trans-68.620.8177.9-63.9-168.1151.200113.5S171 V175S171-E173 PolarHBondContact O-N 3.48Å; E173-V175 PolarHBondContact O-N 2.7Å
174D41.8Very low67.8Low120 Ų12094.2 Ų94.264%0.64251%0.505SS*.  trans-77.199.3172.4-82.7-25.6000109.3C172 S176C172-D174 PolarHBondContact O-N 3.32Å; D174-S176 PolarHBondContact O-N 3.19Å
175V44.3Very low67.6Low149 Ų14996.3 Ų96.390%0.90351%0.514SS*.  trans-54.1-4.5-178.2178.30000114.1E173E173-V175 PolarHBondContact O-N 2.7Å
176S44.1Very low67.7Low102 Ų10290.3 Ų90.371%0.71349%0.493SS*.SBendtrans-98106.9-179.479.90000113D174D174-S176 PolarHBondContact O-N 3.19Å
177A46.6Very low67.7Low85 Ų8591.7 Ų91.770%0.70250%0.504SS*.SBendtrans79.2101.8154.800000118
178R47.9Very low68Low224 Ų22488 Ų8885%0.84548%0.478SS*.SBendtrans102.8115.3154.4-55.2169.2-179.9-171.3-0.3114.4H180R178-H180 PolarHBondContact O-ND1 3.42Å
179S52.8Low68.3Low59 Ų5986 Ų8641%0.41347%0.467SS..SBendtrans96.46.4160.7-157.50000121.4Q185S179-Q185 PolarHBondContact O-NE2 3.44Å; S179-Q185 PolarHBondContact O-OE1 3.02Å
180H63.6Low69.1Low95 Ų9582.7 Ų82.744%0.4445%0.453SS..  trans-101.47.9-168.3-67.851.5000115.7R178R178-H180 PolarHBondContact O-ND1 3.42Å
181W83.8Confident70.9Confident101 Ų10180 Ų8038%0.38343%0.431SS..SBendtrans-92.7-25.4-175.8-61.6-2.8000113.1P426 F429 Y430W181-P426 HydrophobicContact CZ3-CB 4.39Å; W181-F429 HydrophobicContact CB-CD1 3.96Å; W181-F429 HydrophobicContact CB-CE1 3.64Å; W181-F429 HydrophobicContact CE3-CD1 4.36Å; W181-F429 VanDerWaalsContact O-CE1 3.28Å; W181-F429 WeakPolarHBondContact O-CE1 3.41Å; W181-Y430 HydrophobicContact CH2-CD2 4.37Å; W181-Y430 HydrophobicContact CZ2-CD2 4.35Å
182G89.9Confident72.6Confident8 Ų880 Ų808%0.08243%0.425CS..SBendtrans-74.3159175.300000113.3Q185 E418G182-Q185 PolarHBondContact O-NE2 3.22Å; G182-E418 WeakPolarHBondContact CA-OE1 3.39Å; G182-E418 WeakPolarHBondContact CA-OE2 3.3Å
183L94Very high74.9Confident28 Ų2876.9 Ų76.915%0.14740%0.404CS..SBendtrans-82.1-28.2176-63.3178000112.3I162 E418 Q438 L440 R441I162-L183 HydrophobicContact CD1-CB 4.34Å; I162-L183 HydrophobicContact CD1-CD1 3.85Å; I162-L183 HydrophobicContact CG1-CB 4.03Å; I162-L183 HydrophobicContact CG1-CD1 4.41Å; L183-E418 VanDerWaalsContact N-CD 3.34Å; L183-E418 PolarHBondContact N-OE1 3.48Å; L183-E418 PolarHBondContact N-OE2 2.87Å; L183-Q438 HydrophobicContact CD1-CB 4Å; L183-Q438 HydrophobicContact CD1-CG 4.38Å; L183-Q438 HydrophobicContact CD2-CG 4.14Å; L183-Q438 HydrophobicContact CG-CB 4.49Å; L183-Q438 HydrophobicContact CG-CG 4.47Å; L183-L440 HydrophobicContact CB-CD2 4.23Å; L183-L440 HydrophobicContact CD1-CB 4.29Å; L183-R441 HydrophobicContact CD1-CG 3.77Å
184I93.6Very high77.2Confident3 Ų372.1 Ų72.12%0.01539%0.388CS..  trans-90.6111.9179.3-58.3-54.6000109.3L161 I162 V186 V411 C414 L415 E418 L440L161-I184 HydrophobicContact CB-CD1 3.78Å; I162-I184 HydrophobicContact CG1-CD1 4.47Å; I184-V186 HydrophobicContact CG2-CG2 3.76Å; I184-V411 HydrophobicContact CG2-CG1 4.23Å; I184-C414 HydrophobicContact CG1-CB 3.72Å; I184-L415 HydrophobicContact CG2-CB 4.24Å; I184-L415 HydrophobicContact CG2-CD1 4.41Å; I184-E418 PolarHBondContact N-OE2 2.73Å; I184-E418 VanDerWaalsContact N-OE2 3.09Å; I184-L440 HydrophobicContact CD1-CD2 4.08Å; I184-L440 HydrophobicContact CG1-CD2 3.58Å
185Q89.3Confident79.8Confident50 Ų5070.3 Ų70.323%0.23438%0.376CS..  trans-115.960.9-173.8-64.9-65.3-27.600110.3S179 G182S179-Q185 PolarHBondContact O-NE2 3.44Å; S179-Q185 PolarHBondContact O-OE1 3.02Å; G182-Q185 PolarHBondContact O-NE2 3.22Å
186V90.3Very high82.2Confident9 Ų963.2 Ų63.26%0.05533%0.333CS..  trans-124.6139.6176.5-62.70000111Y92 M93 L164 I184 L188 V411Y92-V186 HydrophobicContact CE2-CG1 4.21Å; M93-V186 HydrophobicContact CE-CB 4.42Å; M93-V186 HydrophobicContact CE-CG1 4.37Å; M93-V186 HydrophobicContact CE-CG2 4.26Å; L164-V186 HydrophobicContact CB-CG1 3.84Å; I184-V186 HydrophobicContact CG2-CG2 3.76Å; V186-L188 HydrophobicContact CB-CG 4.48Å; V186-L188 HydrophobicContact CG2-CD1 3.85Å; V186-L188 HydrophobicContact CG2-CG 3.82Å; V186-L188 PolarHBondContact O-N 3.15Å; V186-V411 HydrophobicContact CG2-CG1 3.77Å
187P89.6Confident84.7Confident63 Ų6361.7 Ų61.741%0.40931%0.312SS..  trans-83.865.7-177.835.2-36.5000111N166 H169N166-P187 HydrophobicContact CB-CG 4.27Å; N166-P187 WeakPolarHBondContact ND2-CG 3.44Å; H169-P187 HydrophobicContact CB-CG 4.24Å
188L91.7Very high87.1Confident23 Ų2364.7 Ų64.712%0.1231%0.311CS..  trans-92.6142.5171.9-64.5178.3000109.9L90 M93 V186 V411 L415L90-L188 HydrophobicContact CD1-CD2 3.69Å; M93-L188 HydrophobicContact CE-CD1 3.85Å; M93-L188 HydrophobicContact CE-CD2 4.16Å; M93-L188 HydrophobicContact CE-CG 4.24Å; V186-L188 HydrophobicContact CB-CG 4.48Å; V186-L188 HydrophobicContact CG2-CD1 3.85Å; V186-L188 HydrophobicContact CG2-CG 3.82Å; V186-L188 PolarHBondContact O-N 3.15Å; L188-V411 HydrophobicContact CD1-CB 4.3Å; L188-V411 HydrophobicContact CD1-CG1 3.8Å; L188-L415 HydrophobicContact CB-CD2 4Å
189N89.9Confident89.3Confident113 Ų11355.3 Ų55.360%0.60428%0.282SS*.  trans-72.9130.1170.2-167.822.8000108.6F407N189-F407 HydrophobicContact CB-CE1 4.02Å; N189-F407 HydrophobicContact CB-CZ 4.44Å; N189-F407 VanDerWaalsContact O-CD1 3.25Å; N189-F407 WeakPolarHBondContact O-CD1 3.31Å; N189-F407 WeakPolarHBondContact O-CE1 3.47Å
190I94.1Very high91.4Very high26 Ų2652.7 Ų52.713%0.13326%0.263CS..  trans-133.4149177.350.5158.2000108.3D192 L415 Q416 R419I190-D192 PolarHBondContact O-N 3.39Å; I190-L415 HydrophobicContact CD1-CD2 4.38Å; I190-L415 HydrophobicContact CD1-CG 3.92Å; I190-L415 HydrophobicContact CG1-CD2 4.39Å; I190-L415 HydrophobicContact CG1-CG 4.46Å; I190-L415 HydrophobicContact CG2-CB 4.35Å; I190-L415 HydrophobicContact CG2-CD2 3.99Å; I190-L415 HydrophobicContact CG2-CG 4.29Å; I190-Q416 HydrophobicContact CB-CB 4.47Å; I190-Q416 HydrophobicContact CD1-CB 4.35Å; I190-Q416 HydrophobicContact CG2-CB 4.44Å; I190-R419 HydrophobicContact CD1-CB 3.46Å; I190-R419 VanDerWaalsContact CD1-CB 3.46Å; I190-R419 HydrophobicContact CD1-CG 3.72Å
191R95.1Very high92.9Very high94 Ų9451.7 Ų51.736%0.35526%0.263SS..  trans-68.1129.1179.2-67.1-179.1-179.4155.3-7.2110.5Q195 L196 E474R191-Q195 VanDerWaalsContact CA-OE1 3.28Å; R191-Q195 HydrophobicContact CB-CB 3.84Å; R191-Q195 HydrophobicContact CG-CB 4.07Å; R191-L196 HydrophobicContact CB-CD2 4Å; R191-L196 HydrophobicContact CB-CG 3.84Å; R191-E474 WeakPolarHBondContact CD-OE1 3.45Å; R191-E474 IonicContact CZ-OE2 3.55Å; R191-E474 IonicContact NE-OE2 3.48Å; R191-E474 IonicContact NH1-OE2 3.06Å; R191-E474 PolarHBondContact NH1-OE2 2.77Å
192D91.6Very high93.5Very high75 Ų7548.2 Ų48.240%0.40125%0.251SS..  trans-76.7179.3166.168.212.7000111.1I190 P194 Q195 L196I190-D192 PolarHBondContact O-N 3.39Å; D192-P194 VanDerWaalsContact OD1-CD 3.31Å; D192-P194 WeakPolarHBondContact OD1-CD 3.49Å; D192-Q195 PolarHBondContact O-N 3.44Å; D192-Q195 VanDerWaalsContact OD1-CB 3.29Å; D192-Q195 WeakPolarHBondContact OD1-CB 3.02Å; D192-Q195 WeakPolarHBondContact OD1-CG 3.38Å; D192-Q195 PolarHBondContact OD1-N 3.34Å; D192-Q195 PolarHBondContact OD1-OE1 3.05Å; D192-L196 WeakPolarHBondContact O-CB 3.36Å; D192-L196 VanDerWaalsContact O-CG 3.26Å; D192-L196 WeakPolarHBondContact O-CG 3.46Å; D192-L196 PolarHBondContact O-N 2.89Å
193I92.7Very high93.7Very high7 Ų747.9 Ų47.94%0.03625%0.248CC..Hα-helixtrans-63.3-47.6-177.8-70.1-79.8000112.9Q195 L196 R197 L420 H424 F519 L520 I525I193-Q195 VanDerWaalsContact C-N 3.25Å; I193-Q195 PolarHBondContact O-N 2.97Å; I193-L196 HydrophobicContact CD1-CD1 4.34Å; I193-L196 CarbonylContact O-C 3.6Å; I193-L196 PolarHBondContact O-N 3.29Å; I193-L196 VanDerWaalsContact O-N 3.1Å; I193-R197 HydrophobicContact CG2-CG 4.04Å; I193-R197 WeakPolarHBondContact O-CG 3.42Å; I193-R197 PolarHBondContact O-N 3.46Å; I193-L420 HydrophobicContact CD1-CD2 3.41Å; I193-L420 VanDerWaalsContact CD1-CD2 3.41Å; I193-L420 HydrophobicContact CG1-CD2 3.71Å; I193-H424 WeakPolarHBondContact CD1-NE2 3.37Å; I193-H424 VanDerWaalsContact CG1-NE2 3.29Å; I193-H424 WeakPolarHBondContact CG1-NE2 3.34Å; I193-F519 HydrophobicContact CD1-CE1 4.15Å; I193-L520 HydrophobicContact CD1-CD2 3.75Å; I193-I525 HydrophobicContact CB-CD1 3.43Å; I193-I525 VanDerWaalsContact CB-CD1 3.43Å; I193-I525 HydrophobicContact CD1-CD1 4.34Å; I193-I525 HydrophobicContact CG1-CD1 3.47Å; I193-I525 VanDerWaalsContact CG1-CD1 3.47Å; I193-I525 HydrophobicContact CG2-CD1 3.38Å
194P94.2Very high93.6Very high81 Ų8149.4 Ų49.453%0.52626%0.256SS..Hα-helixtrans-51.9-44.7174.1-29.134.6000113D192 R197 Q198D192-P194 VanDerWaalsContact OD1-CD 3.31Å; D192-P194 WeakPolarHBondContact OD1-CD 3.49Å; P194-R197 PolarHBondContact O-N 3.43Å; P194-Q198 PolarHBondContact O-N 3.16Å; P194-Q198 VanDerWaalsContact O-N 3.08Å
195Q96Very high93.4Very high81 Ų8153.8 Ų53.838%0.37928%0.279SS..Hα-helixtrans-67-38.4176.8-69.5170-28.500112.4R191 D192 I193 Q198 A199R191-Q195 VanDerWaalsContact CA-OE1 3.28Å; R191-Q195 HydrophobicContact CB-CB 3.84Å; R191-Q195 HydrophobicContact CG-CB 4.07Å; D192-Q195 PolarHBondContact O-N 3.44Å; D192-Q195 VanDerWaalsContact OD1-CB 3.29Å; D192-Q195 WeakPolarHBondContact OD1-CB 3.02Å; D192-Q195 WeakPolarHBondContact OD1-CG 3.38Å; D192-Q195 PolarHBondContact OD1-N 3.34Å; D192-Q195 PolarHBondContact OD1-OE1 3.05Å; I193-Q195 VanDerWaalsContact C-N 3.25Å; I193-Q195 PolarHBondContact O-N 2.97Å; Q195-Q198 PolarHBondContact O-N 3.11Å; Q195-A199 WeakPolarHBondContact O-CB 3.42Å; Q195-A199 PolarHBondContact O-N 3.35Å
196L96.4Very high93.3Very high0 Ų056.2 Ų56.20%030%0.302CS..Hα-helixtrans-66.7-40.1174.6-74.2167.4000112.1R191 D192 I193 Q198 A199 Y200 L420 V478 L520R191-L196 HydrophobicContact CB-CD2 4Å; R191-L196 HydrophobicContact CB-CG 3.84Å; D192-L196 WeakPolarHBondContact O-CB 3.36Å; D192-L196 VanDerWaalsContact O-CG 3.26Å; D192-L196 WeakPolarHBondContact O-CG 3.46Å; D192-L196 PolarHBondContact O-N 2.89Å; I193-L196 HydrophobicContact CD1-CD1 4.34Å; I193-L196 CarbonylContact O-C 3.6Å; I193-L196 PolarHBondContact O-N 3.29Å; I193-L196 VanDerWaalsContact O-N 3.1Å; L196-Q198 VanDerWaalsContact C-N 3.26Å; L196-Q198 PolarHBondContact O-N 3.29Å; L196-A199 PolarHBondContact O-N 3.03Å; L196-A199 VanDerWaalsContact O-N 3.16Å; L196-Y200 HydrophobicContact CB-CD2 4.47Å; L196-Y200 HydrophobicContact CD2-CD2 4.07Å; L196-Y200 HydrophobicContact CD2-CE2 3.71Å; L196-Y200 WeakPolarHBondContact O-CB 3.43Å; L196-Y200 VanDerWaalsContact O-CD2 3.31Å; L196-Y200 WeakPolarHBondContact O-CD2 3.43Å; L196-Y200 PolarHBondContact O-N 3.22Å; L196-L420 HydrophobicContact CD1-CD1 4.25Å; L196-L420 HydrophobicContact CD1-CD2 3.87Å; L196-V478 HydrophobicContact CD1-CG2 4.09Å; L196-V478 HydrophobicContact CD2-CG2 4.2Å; L196-L520 HydrophobicContact CB-CD2 4.09Å; L196-L520 HydrophobicContact CD1-CD2 4.44Å
197R95.9Very high93.1Very high70 Ų7057.6 Ų57.626%0.26431%0.311SS..Hα-helixtrans-59.9-39.2173.8-73.6172.5176.41691.1111.3I193 P194 Y200 T201 L520 F521 T523I193-R197 HydrophobicContact CG2-CG 4.04Å; I193-R197 WeakPolarHBondContact O-CG 3.42Å; I193-R197 PolarHBondContact O-N 3.46Å; P194-R197 PolarHBondContact O-N 3.43Å; R197-Y200 CarbonylContact O-C 3.56Å; R197-T201 WeakPolarHBondContact O-CA 3.36Å; R197-T201 WeakPolarHBondContact O-CG2 3.38Å; R197-T201 PolarHBondContact O-N 3.43Å; R197-L520 PolarHBondContact NE-O 3.33Å; R197-L520 PolarHBondContact NH2-O 3.27Å; R197-F521 HydrophobicContact CB-CE1 3.85Å; R197-F521 HydrophobicContact CB-CZ 4.36Å; R197-F521 HydrophobicContact CG-CD1 4.07Å; R197-F521 HydrophobicContact CG-CE1 3.81Å; R197-F521 HydrophobicContact CG-CZ 4.35Å; R197-T523 PolarHBondContact NH2-O 3.1Å
198Q96.1Very high92.9Very high149 Ų14955.4 Ų55.470%0.69630%0.3SS*.Hα-helixtrans-70.8-38174.7-171.5-178.89.700112.3P194 Q195 L196 Y200 T201P194-Q198 PolarHBondContact O-N 3.16Å; P194-Q198 VanDerWaalsContact O-N 3.08Å; Q195-Q198 PolarHBondContact O-N 3.11Å; L196-Q198 VanDerWaalsContact C-N 3.26Å; L196-Q198 PolarHBondContact O-N 3.29Å; Q198-Y200 VanDerWaalsContact C-N 3.34Å; Q198-T201 WeakPolarHBondContact O-CG2 3.38Å
199A95.8Very high92.8Very high27 Ų2754.3 Ų54.322%0.22329%0.294CS..Hα-helixtrans-71-30.8178.600000112.8Q195 L196 Y470Q195-A199 WeakPolarHBondContact O-CB 3.42Å; Q195-A199 PolarHBondContact O-N 3.35Å; L196-A199 PolarHBondContact O-N 3.03Å; L196-A199 VanDerWaalsContact O-N 3.16Å; A199-Y470 VanDerWaalsContact O-CD1 3.29Å; A199-Y470 WeakPolarHBondContact O-CD1 3.33Å; A199-Y470 WeakPolarHBondContact O-CE1 3.46Å
200Y96.7Very high92.6Very high3 Ų349.1 Ų49.11%0.01227%0.267CS..THydrogen-bonded Turntrans-11436.1-175.9-66.5-70.1000112.7L196 R197 Q198 E202 L203 Y470 E474 V475 L520 F521L196-Y200 HydrophobicContact CB-CD2 4.47Å; L196-Y200 HydrophobicContact CD2-CD2 4.07Å; L196-Y200 HydrophobicContact CD2-CE2 3.71Å; L196-Y200 WeakPolarHBondContact O-CB 3.43Å; L196-Y200 VanDerWaalsContact O-CD2 3.31Å; L196-Y200 WeakPolarHBondContact O-CD2 3.43Å; L196-Y200 PolarHBondContact O-N 3.22Å; R197-Y200 CarbonylContact O-C 3.56Å; Q198-Y200 VanDerWaalsContact C-N 3.34Å; Y200-E202 PolarHBondContact O-N 2.96Å; Y200-E202 VanDerWaalsContact O-N 3.12Å; Y200-L203 HydrophobicContact CD1-CD1 4.05Å; Y200-L203 HydrophobicContact CG-CD1 4.3Å; Y200-L203 WeakPolarHBondContact O-CB 3.44Å; Y200-L203 PolarHBondContact O-N 3.37Å; Y200-Y470 AromaticContact CD1-CD1 3.79Å; Y200-Y470 HydrophobicContact CD1-CD1 3.79Å; Y200-Y470 AromaticContact CD1-CD2 3.65Å; Y200-Y470 HydrophobicContact CD1-CD2 3.65Å; Y200-Y470 AromaticContact CD1-CE1 3.79Å; Y200-Y470 HydrophobicContact CD1-CE1 3.79Å; Y200-Y470 AromaticContact CD1-CE2 3.65Å; Y200-Y470 HydrophobicContact CD1-CE2 3.65Å; Y200-Y470 AromaticContact CD1-CG 3.72Å; Y200-Y470 HydrophobicContact CD1-CG 3.72Å; Y200-Y470 AromaticContact CD1-CZ 3.69Å; Y200-Y470 HydrophobicContact CE1-CD1 4.03Å; Y200-Y470 AromaticContact CE1-CD2 3.66Å; Y200-Y470 HydrophobicContact CE1-CD2 3.66Å; Y200-Y470 HydrophobicContact CE1-CE1 4.47Å; Y200-Y470 HydrophobicContact CE1-CE2 4.14Å; Y200-Y470 AromaticContact CE1-CG 3.58Å; Y200-Y470 HydrophobicContact CE1-CG 3.58Å; Y200-E474 HydrophobicContact CE2-CB 4.49Å; Y200-E474 WeakPolarHBondContact OH-CB 3.41Å; Y200-V475 HydrophobicContact CE1-CB 4.13Å; Y200-V475 PolarHBondContact OH-N 3.3Å; Y200-L520 HydrophobicContact CD2-CD1 4.28Å; Y200-L520 HydrophobicContact CG-CD1 4.46Å; Y200-F521 WeakPolarHBondContact O-CZ 3.48Å
201T95.2Very high91.9Very high74 Ų7448.1 Ų48.145%0.45426%0.263SS..G310 helixtrans-52.6-37.2-173.437.10000114.2R197 Q198 L203 N204R197-T201 WeakPolarHBondContact O-CA 3.36Å; R197-T201 WeakPolarHBondContact O-CG2 3.38Å; R197-T201 PolarHBondContact O-N 3.43Å; Q198-T201 WeakPolarHBondContact O-CG2 3.38Å; T201-L203 PolarHBondContact O-N 2.86Å; T201-N204 VanDerWaalsContact O-CB 3.23Å; T201-N204 WeakPolarHBondContact O-CB 3.47Å; T201-N204 PolarHBondContact O-N 3.44Å; T201-N204 VanDerWaalsContact O-N 3.07Å
202E94.9Very high91.3Very high29 Ų2945.7 Ų45.714%0.13626%0.257CS..G310 helixtrans-72.6-12.5-178.6-59.387.2144.100112.2Y200 N204 S207 Q209 Q245 R248 R249 Y470Y200-E202 PolarHBondContact O-N 2.96Å; Y200-E202 VanDerWaalsContact O-N 3.12Å; E202-N204 VanDerWaalsContact C-N 3.27Å; E202-S207 VanDerWaalsContact O-CB 3.28Å; E202-S207 WeakPolarHBondContact O-CB 3.22Å; E202-Q209 PolarHBondContact O-NE2 3.24Å; E202-Q245 PolarHBondContact OE1-NE2 3.42Å; E202-R248 HydrophobicContact CB-CB 4.35Å; E202-R248 HydrophobicContact CG-CB 4.49Å; E202-R248 WeakPolarHBondContact OE1-CD 3.45Å; E202-R248 IonicContact OE1-CZ 3.7Å; E202-R248 IonicContact OE1-NE 2.73Å; E202-R248 IonicContact OE1-NH1 3.3Å; E202-R248 PolarHBondContact OE1-NH1 3.45Å; E202-R249 HydrophobicContact CB-CG 4.11Å; E202-Y470 WeakPolarHBondContact CB-OH 3.38Å; E202-Y470 PolarHBondContact OE2-OH 3.09Å
203L94.5Very high90.5Very high0 Ų045.5 Ų45.50%026%0.256CS..G310 helixtrans-84.16.7169.4-64.8-179.2000112.8Y200 T201 Y470 I513 I516 Q517 F521Y200-L203 HydrophobicContact CD1-CD1 4.05Å; Y200-L203 HydrophobicContact CG-CD1 4.3Å; Y200-L203 WeakPolarHBondContact O-CB 3.44Å; Y200-L203 PolarHBondContact O-N 3.37Å; T201-L203 PolarHBondContact O-N 2.86Å; L203-Y470 HydrophobicContact CD1-CE2 4.47Å; L203-Y470 HydrophobicContact CG-CE2 4.33Å; L203-I513 HydrophobicContact CD2-CG2 4.39Å; L203-I516 HydrophobicContact CD1-CG2 3.73Å; L203-Q517 WeakPolarHBondContact O-CG 3.44Å; L203-Q517 PolarHBondContact O-NE2 2.83Å; L203-F521 HydrophobicContact CB-CE2 3.86Å; L203-F521 WeakPolarHBondContact O-CD2 3.45Å; L203-F521 WeakPolarHBondContact O-CE2 3.2Å
204N92.3Very high89.6Confident61 Ų6147.6 Ų47.633%0.32627%0.267SS..SBendtrans-57146.5171.9-171.7-34.3000111.1T201 E202 S206 S207 Q517 F521T201-N204 VanDerWaalsContact O-CB 3.23Å; T201-N204 WeakPolarHBondContact O-CB 3.47Å; T201-N204 PolarHBondContact O-N 3.44Å; T201-N204 VanDerWaalsContact O-N 3.07Å; E202-N204 VanDerWaalsContact C-N 3.27Å; N204-S206 PolarHBondContact O-N 3.12Å; N204-S206 VanDerWaalsContact O-N 3.14Å; N204-S206 PolarHBondContact OD1-N 3.23Å; N204-S206 PolarHBondContact OD1-OG 2.87Å; N204-S207 PolarHBondContact O-N 3.02Å; N204-Q517 PolarHBondContact O-NE2 3.34Å; N204-Q517 VanDerWaalsContact O-NE2 3.14Å; N204-F521 HydrophobicContact CB-CD1 4.39Å; N204-F521 HydrophobicContact CB-CE1 4.31Å
205L88.9Confident88.3Confident95 Ų9548.6 Ų48.650%0.49727%0.267SS..THydrogen-bonded Turntrans-56.1-23.8175.5-61.3169.7000113.7S207 Q517 F521 A522L205-S207 VanDerWaalsContact C-N 3.33Å; L205-Q517 HydrophobicContact CD2-CB 3.82Å; L205-F521 HydrophobicContact CD1-CB 4.36Å; L205-F521 HydrophobicContact CG-CB 4.18Å; L205-A522 HydrophobicContact CD1-CB 4.15Å
206S87Confident86.5Confident101 Ų10147 Ų4771%0.70627%0.268SS*.THydrogen-bonded Turntrans-82.2-7.6176.562.20000114.3N204N204-S206 PolarHBondContact O-N 3.12Å; N204-S206 VanDerWaalsContact O-N 3.14Å; N204-S206 PolarHBondContact OD1-N 3.23Å; N204-S206 PolarHBondContact OD1-OG 2.87Å
207S85.9Confident84.4Confident37 Ų3755.7 Ų55.726%0.25931%0.308SS..SBendtrans-105.7120.3-175.3-64.60000110.3E202 N204 L205 Q209E202-S207 VanDerWaalsContact O-CB 3.28Å; E202-S207 WeakPolarHBondContact O-CB 3.22Å; N204-S207 PolarHBondContact O-N 3.02Å; L205-S207 VanDerWaalsContact C-N 3.33Å; S207-Q209 PolarHBondContact O-N 3.35Å; S207-Q209 PolarHBondContact O-NE2 2.9Å
208G85.4Confident82.1Confident17 Ų1758.5 Ų58.518%0.17533%0.333CS..  trans-59.1136.3-178.500000112.9D213 R249G208-D213 WeakPolarHBondContact CA-OD2 3.01Å; G208-R249 PolarHBondContact O-NE 3.4Å; G208-R249 PolarHBondContact O-NH2 3.06Å
209Q89.3Confident80Confident0 Ų058.2 Ų58.20%033%0.331CS..  trans-123.3138.1-176.2-64.8-58.3-51.500111.6E202 S207 I212 D213 I513E202-Q209 PolarHBondContact O-NE2 3.24Å; S207-Q209 PolarHBondContact O-N 3.35Å; S207-Q209 PolarHBondContact O-NE2 2.9Å; Q209-I212 HydrophobicContact CB-CB 4.26Å; Q209-I212 HydrophobicContact CB-CD1 4.12Å; Q209-I212 HydrophobicContact CB-CG1 4.17Å; Q209-I212 HydrophobicContact CG-CD1 4.34Å; Q209-I212 PolarHBondContact O-N 2.9Å; Q209-D213 PolarHBondContact N-OD2 3.25Å; Q209-D213 PolarHBondContact O-N 2.66Å; Q209-I513 HydrophobicContact CB-CG2 4.01Å; Q209-I513 HydrophobicContact CG-CG2 3.83Å
210L86Confident77.9Confident4 Ų459.7 Ų59.72%0.02134%0.339CS..THydrogen-bonded Turntrans-71.4138.1158.8-67.9-176.9000110.6D214 F223 Y227 R249 P252 R466L210-D214 HydrophobicContact CD2-CB 4.05Å; L210-F223 HydrophobicContact CD2-CE1 4.38Å; L210-Y227 HydrophobicContact CD1-CD1 3.81Å; L210-Y227 HydrophobicContact CD1-CE1 3.5Å; L210-Y227 HydrophobicContact CD2-CD1 4.23Å; L210-Y227 HydrophobicContact CG-CD1 3.95Å; L210-Y227 HydrophobicContact CG-CE1 3.79Å; L210-R249 PolarHBondContact N-O 3.29Å; L210-P252 HydrophobicContact CD1-CB 4.3Å; L210-P252 HydrophobicContact CD1-CG 3.76Å; L210-P252 VanDerWaalsContact CD1-N 3.26Å; L210-R466 PolarHBondContact O-NH2 3.42Å
211G80Confident75.9Confident6 Ų664.5 Ų64.56%0.06236%0.364CS..THydrogen-bonded Turntrans92.43.3-167.400000114.7D214G211-D214 VanDerWaalsContact C-OD1 3.32Å; G211-D214 VanDerWaalsContact CA-OD1 3.26Å; G211-D214 WeakPolarHBondContact CA-OD1 3.01Å; G211-D214 VanDerWaalsContact N-CG 3.31Å; G211-D214 PolarHBondContact N-OD1 3.02Å; G211-D214 PolarHBondContact N-OD2 3.36Å
212I81.4Confident74.4Confident43 Ų4366.1 Ų66.122%0.22137%0.37CS..THydrogen-bonded Turntrans-139-66.8178.8-55.1-173.8000110Q209 D214 L215 I513 P514Q209-I212 HydrophobicContact CB-CB 4.26Å; Q209-I212 HydrophobicContact CB-CD1 4.12Å; Q209-I212 HydrophobicContact CB-CG1 4.17Å; Q209-I212 HydrophobicContact CG-CD1 4.34Å; Q209-I212 PolarHBondContact O-N 2.9Å; I212-D214 VanDerWaalsContact C-N 3.3Å; I212-D214 PolarHBondContact N-OD1 3.42Å; I212-D214 PolarHBondContact O-N 3.14Å; I212-L215 PolarHBondContact O-N 2.99Å; I212-L215 VanDerWaalsContact O-N 3.13Å; I212-I513 HydrophobicContact CD1-CB 4.08Å; I212-I513 HydrophobicContact CD1-CG2 3.7Å; I212-I513 HydrophobicContact CG1-CB 4.23Å; I212-I513 HydrophobicContact CG1-CG2 4.22Å; I212-P514 HydrophobicContact CD1-CB 4.4Å; I212-P514 HydrophobicContact CD1-CG 3.71Å; I212-P514 HydrophobicContact CG1-CG 3.75Å
213D76.3Confident73.3Confident70 Ų7067.5 Ų67.537%0.37438%0.375SS..THydrogen-bonded Turntrans-80-15.4-170.3-61.2-66.9000112.8G208 Q209 L215 F223G208-D213 WeakPolarHBondContact CA-OD2 3.01Å; Q209-D213 PolarHBondContact N-OD2 3.25Å; Q209-D213 PolarHBondContact O-N 2.66Å; D213-L215 VanDerWaalsContact C-N 3.33Å; D213-F223 HydrophobicContact CB-CD1 3.83Å; D213-F223 HydrophobicContact CB-CE1 4.07Å
214D72.3Confident72.3Confident52 Ų5271 Ų7128%0.27839%0.392SS..THydrogen-bonded Turntrans-77.7-14.7168.157.1-30.9000113.1L210 G211 I212L210-D214 HydrophobicContact CD2-CB 4.05Å; G211-D214 VanDerWaalsContact C-OD1 3.32Å; G211-D214 VanDerWaalsContact CA-OD1 3.26Å; G211-D214 WeakPolarHBondContact CA-OD1 3.01Å; G211-D214 VanDerWaalsContact N-CG 3.31Å; G211-D214 PolarHBondContact N-OD1 3.02Å; G211-D214 PolarHBondContact N-OD2 3.36Å; I212-D214 VanDerWaalsContact C-N 3.3Å; I212-D214 PolarHBondContact N-OD1 3.42Å; I212-D214 PolarHBondContact O-N 3.14Å
215L68.3Low71.7Confident102 Ų10271.7 Ų71.753%0.53440%0.396SS..THydrogen-bonded Turntrans-97.4-17.1179.7-61176000113.3I212 D213I212-L215 PolarHBondContact O-N 2.99Å; I212-L215 VanDerWaalsContact O-N 3.13Å; D213-L215 VanDerWaalsContact C-N 3.33Å
216A57.9Low71.5Confident47 Ų4772 Ų7239%0.38840%0.397SS..  trans-79.5124-175.900000111.3V218A216-V218 PolarHBondContact O-N 2.85Å
217H51.9Low71.6Confident183 Ų18367.7 Ų67.785%0.84737%0.366SS*.SBendtrans-67.224.2176.9-63.4-51000115.1
218V48.6Very low71.8Confident129 Ų12967 Ų6778%0.78236%0.36SS*.SBendtrans-112.897.7-179.5-174.40000108.1A216A216-V218 PolarHBondContact O-N 2.85Å
219H52Low72.2Confident143 Ų14371.3 Ų71.366%0.66238%0.376SS*.  trans4571.4-172.3-100.8-70.7000114.4D221H219-D221 PolarHBondContact O-N 3.32Å
220P50.5Low72.4Confident58 Ų5875.7 Ų75.738%0.37740%0.398SS..Hα-helixtrans-56.2-18.4179.3-2232.9000114.5
221D55.5Low72.8Confident103 Ų10375.5 Ų75.555%0.55140%0.397SS*.Hα-helixtrans-96.6-1.9-163.6-61.7-45.4000115.9H219 N225H219-D221 PolarHBondContact O-N 3.32Å; D221-N225 WeakPolarHBondContact CA-ND2 3.21Å; D221-N225 VanDerWaalsContact O-CB 3.22Å; D221-N225 WeakPolarHBondContact O-CB 3.42Å; D221-N225 PolarHBondContact O-ND2 3.39Å
222L63.4Low73.6Confident108 Ų10879.7 Ų79.757%0.56541%0.414SS*.Hα-helixtrans-100.3-57.3-179.7-72.9169.5000112D226L222-D226 VanDerWaalsContact O-CB 3.24Å; L222-D226 WeakPolarHBondContact O-CB 3.21Å; L222-D226 VanDerWaalsContact O-CG 3.22Å; L222-D226 PolarHBondContact O-N 3.23Å
223F71.6Confident74.3Confident58 Ų5883.9 Ų83.925%0.25443%0.43SS..Hα-helixtrans-64.3-52.8-177.5175.4-112000112.3L210 D213 N225 Y227L210-F223 HydrophobicContact CD2-CE1 4.38Å; D213-F223 HydrophobicContact CB-CD1 3.83Å; D213-F223 HydrophobicContact CB-CE1 4.07Å; F223-N225 PolarHBondContact O-N 3.28Å; F223-Y227 HydrophobicContact CE2-CD2 4.32Å; F223-Y227 HydrophobicContact CE2-CG 4.38Å; F223-Y227 HydrophobicContact CZ-CD2 4.36Å; F223-Y227 HydrophobicContact CZ-CG 4.22Å; F223-Y227 WeakPolarHBondContact O-CB 3.37Å; F223-Y227 PolarHBondContact O-N 2.92Å
224E74.5Confident75.2Confident75 Ų7581.1 Ų81.135%0.3542%0.416SS..Hα-helixtrans-63.6-45.5-177.6-171.5-178.7178.600111.1Y227 V228E224-Y227 PolarHBondContact O-N 3.28Å; E224-V228 HydrophobicContact CG-CG2 4.11Å; E224-V228 VanDerWaalsContact O-CB 3.26Å; E224-V228 WeakPolarHBondContact O-CB 3.27Å; E224-V228 WeakPolarHBondContact O-CG2 3.37Å; E224-V228 PolarHBondContact O-N 2.87Å
225N78.7Confident76.3Confident75 Ų7580 Ų8040%0.40141%0.411SS..Hα-helixtrans-63.8-48.8-179.5-74.5-38.1000111.8D221 F223 Y227 V228 Q229D221-N225 WeakPolarHBondContact CA-ND2 3.21Å; D221-N225 VanDerWaalsContact O-CB 3.22Å; D221-N225 WeakPolarHBondContact O-CB 3.42Å; D221-N225 PolarHBondContact O-ND2 3.39Å; F223-N225 PolarHBondContact O-N 3.28Å; N225-Y227 VanDerWaalsContact C-N 3.32Å; N225-Y227 PolarHBondContact O-N 3.43Å; N225-V228 PolarHBondContact O-N 3.4Å; N225-Q229 WeakPolarHBondContact O-CG 3.19Å; N225-Q229 PolarHBondContact O-N 3.31Å
226D84.1Confident77.6Confident100 Ų10080.8 Ų80.854%0.53542%0.42SS..Hα-helixtrans-61.4-43.1178.2-72.6-16.7000111.1L222 Q229 I230L222-D226 VanDerWaalsContact O-CB 3.24Å; L222-D226 WeakPolarHBondContact O-CB 3.21Å; L222-D226 VanDerWaalsContact O-CG 3.22Å; L222-D226 PolarHBondContact O-N 3.23Å; D226-Q229 PolarHBondContact O-N 3.26Å; D226-I230 WeakPolarHBondContact O-CG1 3.25Å; D226-I230 PolarHBondContact O-N 3.22Å
227Y89.4Confident79.3Confident11 Ų1183 Ų834%0.04342%0.422CS..Hα-helixtrans-64-44.8178.8-168.4-111.3000111.6L210 F223 E224 N225 Q229 I230 G231 Y246 R249 G250 P252L210-Y227 HydrophobicContact CD1-CD1 3.81Å; L210-Y227 HydrophobicContact CD1-CE1 3.5Å; L210-Y227 HydrophobicContact CD2-CD1 4.23Å; L210-Y227 HydrophobicContact CG-CD1 3.95Å; L210-Y227 HydrophobicContact CG-CE1 3.79Å; F223-Y227 HydrophobicContact CE2-CD2 4.32Å; F223-Y227 HydrophobicContact CE2-CG 4.38Å; F223-Y227 HydrophobicContact CZ-CD2 4.36Å; F223-Y227 HydrophobicContact CZ-CG 4.22Å; F223-Y227 WeakPolarHBondContact O-CB 3.37Å; F223-Y227 PolarHBondContact O-N 2.92Å; E224-Y227 PolarHBondContact O-N 3.28Å; N225-Y227 VanDerWaalsContact C-N 3.32Å; N225-Y227 PolarHBondContact O-N 3.43Å; Y227-Q229 VanDerWaalsContact C-N 3.32Å; Y227-Q229 PolarHBondContact O-N 3.37Å; Y227-I230 WeakPolarHBondContact O-CB 3.33Å; Y227-I230 PolarHBondContact O-N 3.47Å; Y227-G231 PolarHBondContact O-N 2.95Å; Y227-Y246 HydrophobicContact CD1-CE2 4.27Å; Y227-Y246 AromaticContact CD1-CZ 3.8Å; Y227-Y246 WeakPolarHBondContact CD1-OH 2.97Å; Y227-Y246 AromaticContact CD2-CE2 3.91Å; Y227-Y246 HydrophobicContact CD2-CE2 3.91Å; Y227-Y246 AromaticContact CE1-CE1 3.8Å; Y227-Y246 HydrophobicContact CE1-CE1 3.8Å; Y227-Y246 AromaticContact CE1-CE2 3.92Å; Y227-Y246 HydrophobicContact CE1-CE2 3.92Å; Y227-Y246 AromaticContact CE1-CZ 3.35Å; Y227-Y246 WeakPolarHBondContact CE1-OH 3.39Å; Y227-Y246 AromaticContact CE2-CD2 4Å; Y227-Y246 HydrophobicContact CE2-CD2 4Å; Y227-Y246 AromaticContact CE2-CE2 3.53Å; Y227-Y246 HydrophobicContact CE2-CE2 3.53Å; Y227-Y246 AromaticContact CE2-CZ 3.88Å; Y227-Y246 HydrophobicContact CG-CE2 4.25Å; Y227-Y246 AromaticContact CZ-CE1 3.79Å; Y227-Y246 AromaticContact CZ-CE2 3.52Å; Y227-Y246 AromaticContact CZ-CZ 3.38Å; Y227-Y246 PolarHBondContact O-OH 3.09Å; Y227-Y246 PolarHBondContact OH-O 3.37Å; Y227-R249 HydrophobicContact CE2-CB 4.29Å; Y227-R249 WeakPolarHBondContact OH-CB 3.42Å; Y227-G250 WeakPolarHBondContact CE1-O 3.15Å; Y227-G250 PolarHBondContact OH-O 3.26Å; Y227-P252 HydrophobicContact CD1-CG 4.33Å; Y227-P252 HydrophobicContact CE1-CG 4.49Å
228V91.4Very high81.3Confident24 Ų2479 Ų7915%0.14540%0.404CS..Hα-helixtrans-60.8-38.8174.6168.40000111.6E224 N225 G231 K232 P252 L255E224-V228 HydrophobicContact CG-CG2 4.11Å; E224-V228 VanDerWaalsContact O-CB 3.26Å; E224-V228 WeakPolarHBondContact O-CB 3.27Å; E224-V228 WeakPolarHBondContact O-CG2 3.37Å; E224-V228 PolarHBondContact O-N 2.87Å; N225-V228 PolarHBondContact O-N 3.4Å; V228-G231 PolarHBondContact O-N 3.09Å; V228-K232 HydrophobicContact CG1-CD 4.32Å; V228-K232 WeakPolarHBondContact O-CG 3.14Å; V228-K232 PolarHBondContact O-N 3.4Å; V228-P252 HydrophobicContact CG2-CB 3.87Å; V228-P252 HydrophobicContact CG2-CG 3.69Å; V228-L255 HydrophobicContact CG1-CD1 4.41Å
229Q92.3Very high83.4Confident106 Ų10674.3 Ų74.350%0.49537%0.374SS..Hα-helixtrans-64.5-40.8175.7-66.2-50.9-34.300111.9N225 D226 Y227 G231 K232 K233N225-Q229 WeakPolarHBondContact O-CG 3.19Å; N225-Q229 PolarHBondContact O-N 3.31Å; D226-Q229 PolarHBondContact O-N 3.26Å; Y227-Q229 VanDerWaalsContact C-N 3.32Å; Y227-Q229 PolarHBondContact O-N 3.37Å; Q229-G231 VanDerWaalsContact C-N 3.35Å; Q229-K232 PolarHBondContact O-N 3.08Å; Q229-K233 PolarHBondContact O-N 2.88Å
230I93.5Very high85.4Confident93 Ų9367.6 Ų67.648%0.47734%0.343SS..Hα-helixtrans-60.8-46.6173.2-64.2165.3000110D226 Y227 K232 K233 V234 Y246D226-I230 WeakPolarHBondContact O-CG1 3.25Å; D226-I230 PolarHBondContact O-N 3.22Å; Y227-I230 WeakPolarHBondContact O-CB 3.33Å; Y227-I230 PolarHBondContact O-N 3.47Å; I230-K232 VanDerWaalsContact C-N 3.34Å; I230-K232 PolarHBondContact O-N 2.91Å; I230-K233 WeakPolarHBondContact O-CB 3.33Å; I230-K233 PolarHBondContact O-N 3.31Å; I230-K233 VanDerWaalsContact O-N 3.13Å; I230-V234 WeakPolarHBondContact O-CG2 3.22Å; I230-V234 PolarHBondContact O-N 3.16Å; I230-Y246 HydrophobicContact CB-CE2 4.18Å; I230-Y246 HydrophobicContact CG2-CD2 3.97Å; I230-Y246 HydrophobicContact CG2-CE2 3.95Å
231G95.4Very high87.4Confident0 Ų066.7 Ų66.70%034%0.341CS..Hα-helixtrans-59.3-42.2177.500000113Y227 V228 Q229 K233 V234 V235Y227-G231 PolarHBondContact O-N 2.95Å; V228-G231 PolarHBondContact O-N 3.09Å; Q229-G231 VanDerWaalsContact C-N 3.35Å; G231-K233 VanDerWaalsContact C-N 3.33Å; G231-K233 PolarHBondContact O-N 3.3Å; G231-V234 PolarHBondContact O-N 3.1Å; G231-V235 WeakPolarHBondContact O-CG2 3.42Å; G231-V235 PolarHBondContact O-N 3.36Å
232K96.1Very high89.3Confident94 Ų9463.4 Ų63.441%0.40933%0.328SS..Hα-helixtrans-59.9-43.4174.4-75.5173.3-177.6170.70111.4V228 Q229 I230 V235 V236 L255V228-K232 HydrophobicContact CG1-CD 4.32Å; V228-K232 WeakPolarHBondContact O-CG 3.14Å; V228-K232 PolarHBondContact O-N 3.4Å; Q229-K232 PolarHBondContact O-N 3.08Å; I230-K232 VanDerWaalsContact C-N 3.34Å; I230-K232 PolarHBondContact O-N 2.91Å; K232-V235 PolarHBondContact O-N 3.27Å; K232-V236 VanDerWaalsContact O-CG2 3.31Å; K232-V236 WeakPolarHBondContact O-CG2 3.25Å; K232-V236 PolarHBondContact O-N 3.48Å; K232-L255 HydrophobicContact CG-CD1 4.13Å; K232-L255 HydrophobicContact CG-CD2 4.11Å
233K96.3Very high90.9Very high131 Ų13158.2 Ų58.257%0.5730%0.301SS*.Hα-helixtrans-60.8-45.6176.9-175.6177.5173.6-179.50111.5Q229 I230 G231 V235 V236 E237Q229-K233 PolarHBondContact O-N 2.88Å; I230-K233 WeakPolarHBondContact O-CB 3.33Å; I230-K233 PolarHBondContact O-N 3.31Å; I230-K233 VanDerWaalsContact O-N 3.13Å; G231-K233 VanDerWaalsContact C-N 3.33Å; G231-K233 PolarHBondContact O-N 3.3Å; K233-V235 VanDerWaalsContact C-N 3.31Å; K233-V235 PolarHBondContact O-N 3.17Å; K233-V236 PolarHBondContact O-N 2.98Å; K233-E237 WeakPolarHBondContact CE-OE1 3.44Å; K233-E237 HydrophobicContact CG-CG 4.4Å; K233-E237 IonicContact NZ-OE1 2.63Å; K233-E237 WeakPolarHBondContact O-CB 3.21Å; K233-E237 WeakPolarHBondContact O-CG 3.23Å; K233-E237 PolarHBondContact O-N 2.99Å
234V95.9Very high92.1Very high12 Ų1256 Ų567%0.07329%0.291CS..Hα-helixtrans-58.1-43.8176.2172.50000111.6I230 G231 E237 Q238 A242 A243 L259I230-V234 WeakPolarHBondContact O-CG2 3.22Å; I230-V234 PolarHBondContact O-N 3.16Å; G231-V234 PolarHBondContact O-N 3.1Å; V234-E237 PolarHBondContact O-N 3.39Å; V234-Q238 PolarHBondContact O-N 2.77Å; V234-Q238 VanDerWaalsContact O-N 3.14Å; V234-A242 HydrophobicContact CG1-CB 4.07Å; V234-A242 HydrophobicContact CG2-CB 4.21Å; V234-A243 HydrophobicContact CG1-CB 3.84Å; V234-L259 HydrophobicContact CG1-CD2 3.99Å
235V95.6Very high93.1Very high27 Ų2756.8 Ų56.816%0.16430%0.295CS..Hα-helixtrans-65.7-41.8177.4173.50000111.7G231 K232 K233 Q238 A258 L259 L262G231-V235 WeakPolarHBondContact O-CG2 3.42Å; G231-V235 PolarHBondContact O-N 3.36Å; K232-V235 PolarHBondContact O-N 3.27Å; K233-V235 VanDerWaalsContact C-N 3.31Å; K233-V235 PolarHBondContact O-N 3.17Å; V235-Q238 PolarHBondContact O-N 3.27Å; V235-Q238 PolarHBondContact O-NE2 3.41Å; V235-A258 HydrophobicContact CG1-CB 4.06Å; V235-A258 HydrophobicContact CG2-CB 4.1Å; V235-L259 HydrophobicContact CG2-CD2 3.85Å; V235-L259 HydrophobicContact CG2-CG 4.06Å; V235-L262 HydrophobicContact CG2-CD1 4.38Å
236V95.2Very high94Very high120 Ų12054.1 Ų54.173%0.72728%0.279SS*.Hα-helixtrans-64.8-41177.4168.70000111.5K232 K233 Q238K232-V236 VanDerWaalsContact O-CG2 3.31Å; K232-V236 WeakPolarHBondContact O-CG2 3.25Å; K232-V236 PolarHBondContact O-N 3.48Å; K233-V236 PolarHBondContact O-N 2.98Å; V236-Q238 PolarHBondContact O-N 3.2Å
237E93.3Very high94.6Very high92 Ų9249.3 Ų49.343%0.4325%0.254SS..Hα-helixtrans-73.4-10.7178.4-71.1179.6178.500113.3K233 V234 D239K233-E237 WeakPolarHBondContact CE-OE1 3.44Å; K233-E237 HydrophobicContact CG-CG 4.4Å; K233-E237 IonicContact NZ-OE1 2.63Å; K233-E237 WeakPolarHBondContact O-CB 3.21Å; K233-E237 WeakPolarHBondContact O-CG 3.23Å; K233-E237 PolarHBondContact O-N 2.99Å; V234-E237 PolarHBondContact O-N 3.39Å; E237-D239 VanDerWaalsContact C-N 3.27Å; E237-D239 PolarHBondContact O-N 3.07Å
238Q93.4Very high95Very high100 Ų10051.5 Ų51.547%0.46726%0.262SS..THydrogen-bonded Turntrans53.742.2179.4-64.2-76.5-58.200112.2K60 N64 V234 V235 V236 L262K60-Q238 HydrophobicContact CG-CB 4.45Å; K60-Q238 WeakPolarHBondContact CG-O 3.35Å; N64-Q238 PolarHBondContact ND2-O 3.04Å; V234-Q238 PolarHBondContact O-N 2.77Å; V234-Q238 VanDerWaalsContact O-N 3.14Å; V235-Q238 PolarHBondContact O-N 3.27Å; V235-Q238 PolarHBondContact O-NE2 3.41Å; V236-Q238 PolarHBondContact O-N 3.2Å; Q238-L262 HydrophobicContact CB-CD2 4.28Å
239D92.6Very high95.1Very high31 Ų3154.1 Ų54.117%0.16627%0.269CS..  trans-101.3109.6-175.2-166.4-49.3000111.8K60 E237 A241 A242 A243K60-D239 HydrophobicContact CD-CB 4.31Å; K60-D239 IonicContact NZ-OD2 3.52Å; K60-D239 PolarHBondContact NZ-OD2 2.63Å; E237-D239 VanDerWaalsContact C-N 3.27Å; E237-D239 PolarHBondContact O-N 3.07Å; D239-A241 PolarHBondContact O-N 3.46Å; D239-A241 PolarHBondContact OD1-N 3.37Å; D239-A242 HydrophobicContact CB-CB 3.87Å; D239-A242 PolarHBondContact OD1-N 3.27Å; D239-A243 VanDerWaalsContact O-CB 3.32Å; D239-A243 WeakPolarHBondContact O-CB 3.44Å; D239-A243 PolarHBondContact O-N 3.16Å
240S94.1Very high95.3Very high1 Ų149 Ų491%0.00725%0.245CC..Hα-helixtrans-65.4-36.9-178.3-66.50000113.2N64 A243 Q244 L262N64-S240 WeakPolarHBondContact CB-OG 3.25Å; N64-S240 PolarHBondContact OD1-N 2.96Å; N64-S240 VanDerWaalsContact OD1-N 3.16Å; N64-S240 PolarHBondContact OD1-OG 2.93Å; S240-A243 PolarHBondContact O-N 3.32Å; S240-Q244 PolarHBondContact O-N 3.13Å; S240-L262 WeakPolarHBondContact CB-O 3.48Å; S240-L262 PolarHBondContact OG-O 2.82Å
241A93.4Very high95.4Very high40 Ų4044.7 Ų44.733%0.33122%0.223SC..Hα-helixtrans-73-42.1-178.300000110.8Y67 D239 A243 Q244 Q245Y67-A241 HydrophobicContact CD2-CB 3.98Å; Y67-A241 HydrophobicContact CE1-CB 4.42Å; Y67-A241 HydrophobicContact CE2-CB 3.67Å; Y67-A241 HydrophobicContact CG-CB 4.46Å; D239-A241 PolarHBondContact O-N 3.46Å; D239-A241 PolarHBondContact OD1-N 3.37Å; A241-A243 VanDerWaalsContact C-N 3.33Å; A241-Q244 PolarHBondContact O-N 3.46Å; A241-Q245 PolarHBondContact O-N 3.36Å
242A95.6Very high95.3Very high33 Ų3345.2 Ų45.227%0.27323%0.226SC..Hα-helixtrans-64-39.5173.500000111.6V234 D239 Q245 Y246V234-A242 HydrophobicContact CG1-CB 4.07Å; V234-A242 HydrophobicContact CG2-CB 4.21Å; D239-A242 HydrophobicContact CB-CB 3.87Å; D239-A242 PolarHBondContact OD1-N 3.27Å; A242-Q245 PolarHBondContact O-N 2.99Å; A242-Y246 WeakPolarHBondContact O-CB 3.37Å; A242-Y246 PolarHBondContact O-N 3Å
243A97.2Very high95.1Very high0 Ų045.8 Ų45.80%024%0.238CC..Hα-helixtrans-60.4-45.1174.900000111.9V234 D239 S240 A241 Y246 S247 L259 L262 I263V234-A243 HydrophobicContact CG1-CB 3.84Å; D239-A243 VanDerWaalsContact O-CB 3.32Å; D239-A243 WeakPolarHBondContact O-CB 3.44Å; D239-A243 PolarHBondContact O-N 3.16Å; S240-A243 PolarHBondContact O-N 3.32Å; A241-A243 VanDerWaalsContact C-N 3.33Å; A243-Y246 PolarHBondContact O-N 3.19Å; A243-S247 PolarHBondContact O-N 3.04Å; A243-S247 PolarHBondContact O-OG 2.98Å; A243-S247 VanDerWaalsContact O-OG 3.09Å; A243-L259 HydrophobicContact CB-CD2 4.01Å; A243-L262 HydrophobicContact CB-CB 3.94Å; A243-L262 HydrophobicContact CB-CD1 4.33Å; A243-I263 HydrophobicContact CB-CD1 4.49Å; A243-I263 HydrophobicContact CB-CG1 3.85Å
244Q96.1Very high95Very high12 Ų1243.2 Ų43.26%0.05625%0.249CC..Hα-helixtrans-61.6-49.1176.9179.6168.692.900111.4Y67 S240 A241 Y246 S247 I263 L468 G469Y67-Q244 WeakPolarHBondContact OH-CB 3.35Å; Y67-Q244 PolarHBondContact OH-OE1 3.17Å; S240-Q244 PolarHBondContact O-N 3.13Å; A241-Q244 PolarHBondContact O-N 3.46Å; Q244-Y246 VanDerWaalsContact C-N 3.3Å; Q244-Y246 PolarHBondContact O-N 2.82Å; Q244-S247 PolarHBondContact O-N 3.23Å; Q244-I263 HydrophobicContact CB-CD1 4.44Å; Q244-I263 HydrophobicContact CB-CG1 4.09Å; Q244-I263 HydrophobicContact CB-CG2 4.4Å; Q244-L468 WeakPolarHBondContact CG-O 3.41Å; Q244-L468 PolarHBondContact NE2-O 2.95Å; Q244-G469 VanDerWaalsContact CG-O 3.22Å; Q244-G469 WeakPolarHBondContact CG-O 3.33Å; Q244-G469 WeakPolarHBondContact O-CA 3.25Å
245Q95.9Very high95Very high91 Ų9143.8 Ų43.843%0.42525%0.252SS..Hα-helixtrans-60.3-41.6178.9-176.859.924.800111.9E202 A241 A242 R248E202-Q245 PolarHBondContact OE1-NE2 3.42Å; A241-Q245 PolarHBondContact O-N 3.36Å; A242-Q245 PolarHBondContact O-N 2.99Å; Q245-R248 WeakPolarHBondContact O-CB 3.34Å; Q245-R248 PolarHBondContact O-N 3.28Å
246Y96.5Very high95.1Very high18 Ų1843.1 Ų43.17%0.07125%0.246CC..Hα-helixtrans-60.6-47176.8179.8-87.3000111.3Y227 I230 A242 A243 Q244 R248 R249 P252 L259Y227-Y246 HydrophobicContact CD1-CE2 4.27Å; Y227-Y246 AromaticContact CD1-CZ 3.8Å; Y227-Y246 WeakPolarHBondContact CD1-OH 2.97Å; Y227-Y246 AromaticContact CD2-CE2 3.91Å; Y227-Y246 HydrophobicContact CD2-CE2 3.91Å; Y227-Y246 AromaticContact CE1-CE1 3.8Å; Y227-Y246 HydrophobicContact CE1-CE1 3.8Å; Y227-Y246 AromaticContact CE1-CE2 3.92Å; Y227-Y246 HydrophobicContact CE1-CE2 3.92Å; Y227-Y246 AromaticContact CE1-CZ 3.35Å; Y227-Y246 WeakPolarHBondContact CE1-OH 3.39Å; Y227-Y246 AromaticContact CE2-CD2 4Å; Y227-Y246 HydrophobicContact CE2-CD2 4Å; Y227-Y246 AromaticContact CE2-CE2 3.53Å; Y227-Y246 HydrophobicContact CE2-CE2 3.53Å; Y227-Y246 AromaticContact CE2-CZ 3.88Å; Y227-Y246 HydrophobicContact CG-CE2 4.25Å; Y227-Y246 AromaticContact CZ-CE1 3.79Å; Y227-Y246 AromaticContact CZ-CE2 3.52Å; Y227-Y246 AromaticContact CZ-CZ 3.38Å; Y227-Y246 PolarHBondContact O-OH 3.09Å; Y227-Y246 PolarHBondContact OH-O 3.37Å; I230-Y246 HydrophobicContact CB-CE2 4.18Å; I230-Y246 HydrophobicContact CG2-CD2 3.97Å; I230-Y246 HydrophobicContact CG2-CE2 3.95Å; A242-Y246 WeakPolarHBondContact O-CB 3.37Å; A242-Y246 PolarHBondContact O-N 3Å; A243-Y246 PolarHBondContact O-N 3.19Å; Q244-Y246 VanDerWaalsContact C-N 3.3Å; Q244-Y246 PolarHBondContact O-N 2.82Å; Y246-R248 PolarHBondContact O-N 2.95Å; Y246-R249 PolarHBondContact O-N 3.38Å; Y246-P252 WeakPolarHBondContact OH-CD 3.31Å; Y246-P252 WeakPolarHBondContact OH-CG 3.29Å; Y246-L259 HydrophobicContact CD1-CD1 3.76Å; Y246-L259 HydrophobicContact CD1-CD2 4.23Å; Y246-L259 HydrophobicContact CE1-CD1 3.59Å
247S97.4Very high95.2Very high0 Ų038.8 Ų38.80%022%0.223CC..Hα-helixtrans-61.2-15.3-177.5-66.40000115.1A243 Q244 R249 G250 C251 I263A243-S247 PolarHBondContact O-N 3.04Å; A243-S247 PolarHBondContact O-OG 2.98Å; A243-S247 VanDerWaalsContact O-OG 3.09Å; Q244-S247 PolarHBondContact O-N 3.23Å; S247-R249 PolarHBondContact O-N 2.91Å; S247-G250 WeakPolarHBondContact O-CA 3.43Å; S247-G250 PolarHBondContact O-N 3.17Å; S247-C251 PolarHBondContact OG-SG 2.9Å; S247-I263 WeakPolarHBondContact OG-CD1 3.44Å
248R96.9Very high95.4Very high57 Ų5736.2 Ų36.222%0.21522%0.217CC..THydrogen-bonded Turntrans-60.3-25.2174.4-66.7-177.9-178.6-179.34.5114.1E202 Q245 Y246 R466 G469 Y470E202-R248 HydrophobicContact CB-CB 4.35Å; E202-R248 HydrophobicContact CG-CB 4.49Å; E202-R248 WeakPolarHBondContact OE1-CD 3.45Å; E202-R248 IonicContact OE1-CZ 3.7Å; E202-R248 IonicContact OE1-NE 2.73Å; E202-R248 IonicContact OE1-NH1 3.3Å; E202-R248 PolarHBondContact OE1-NH1 3.45Å; Q245-R248 WeakPolarHBondContact O-CB 3.34Å; Q245-R248 PolarHBondContact O-N 3.28Å; Y246-R248 PolarHBondContact O-N 2.95Å; R248-R466 WeakPolarHBondContact O-CD 3.49Å; R248-R466 PolarHBondContact O-NE 3.41Å; R248-G469 VanDerWaalsContact CG-C 3.49Å; R248-G469 WeakPolarHBondContact CG-O 3.42Å; R248-G469 PolarHBondContact NE-O 3.05Å; R248-Y470 HydrophobicContact CB-CD2 4.41Å; R248-Y470 HydrophobicContact CB-CE1 4.32Å; R248-Y470 HydrophobicContact CB-CE2 3.82Å; R248-Y470 HydrophobicContact CG-CD1 4.11Å; R248-Y470 HydrophobicContact CG-CD2 4.05Å; R248-Y470 HydrophobicContact CG-CE1 3.96Å; R248-Y470 HydrophobicContact CG-CE2 3.91Å; R248-Y470 HydrophobicContact CG-CG 4.16Å
249R95.1Very high95.6Very high78 Ų7831.5 Ų31.529%0.29420%0.195SC..THydrogen-bonded Turntrans-102.36.7174.7-62.9174.966-172.72.4113E202 G208 L210 Y227 Y246 S247 R466E202-R249 HydrophobicContact CB-CG 4.11Å; G208-R249 PolarHBondContact O-NE 3.4Å; G208-R249 PolarHBondContact O-NH2 3.06Å; L210-R249 PolarHBondContact N-O 3.29Å; Y227-R249 HydrophobicContact CE2-CB 4.29Å; Y227-R249 WeakPolarHBondContact OH-CB 3.42Å; Y246-R249 PolarHBondContact O-N 3.38Å; S247-R249 PolarHBondContact O-N 2.91Å; R249-R466 PolarHBondContact O-NH2 3.13Å; R249-R466 VanDerWaalsContact O-NH2 3.11Å
250G95Very high95.9Very high0 Ų030 Ų300%019%0.187CC..  trans97.9159179.200000113.3Y227 S247 R466Y227-G250 WeakPolarHBondContact CE1-O 3.15Å; Y227-G250 PolarHBondContact OH-O 3.26Å; S247-G250 WeakPolarHBondContact O-CA 3.43Å; S247-G250 PolarHBondContact O-N 3.17Å; G250-R466 VanDerWaalsContact CA-CZ 3.42Å; G250-R466 VanDerWaalsContact N-CZ 3.26Å
251C96.2Very high96Very high1 Ų130.6 Ų30.61%0.00719%0.192CC..  trans-105.7134.8177-60.20000110.6S247 R256 L259 D465S247-C251 PolarHBondContact OG-SG 2.9Å; C251-R256 HydrophobicContact CB-CB 3.82Å; C251-R256 HydrophobicContact CB-CG 3.82Å; C251-R256 PolarHBondContact O-NH2 3.35Å; C251-L259 HydrophobicContact CB-CD1 3.97Å; C251-D465 WeakPolarHBondContact CB-OD1 3.46Å; C251-D465 PolarHBondContact N-OD2 3.04Å; C251-D465 PolarHBondContact SG-OD1 2.96Å
252P94.2Very high96Very high11 Ų1129.4 Ų29.47%0.07118%0.18CC..  trans-61.9146.3167.9-21.131000111.4L210 Y227 V228 Y246 G254 L255 R256L210-P252 HydrophobicContact CD1-CB 4.3Å; L210-P252 HydrophobicContact CD1-CG 3.76Å; L210-P252 VanDerWaalsContact CD1-N 3.26Å; Y227-P252 HydrophobicContact CD1-CG 4.33Å; Y227-P252 HydrophobicContact CE1-CG 4.49Å; V228-P252 HydrophobicContact CG2-CB 3.87Å; V228-P252 HydrophobicContact CG2-CG 3.69Å; Y246-P252 WeakPolarHBondContact OH-CD 3.31Å; Y246-P252 WeakPolarHBondContact OH-CG 3.29Å; P252-G254 VanDerWaalsContact C-N 3.33Å; P252-G254 PolarHBondContact O-N 2.88Å; P252-L255 HydrophobicContact CB-CB 4.49Å; P252-L255 HydrophobicContact CG-CD1 4.23Å; P252-L255 PolarHBondContact O-N 3.3Å; P252-R256 PolarHBondContact O-N 3.05Å
253T92.1Very high96.1Very high106 Ų10627.9 Ų27.965%0.6517%0.168SC*.Hα-helixtrans-56-43.9-175.7-63.80000113.1L255 R256T253-L255 PolarHBondContact O-N 3.49Å; T253-R256 PolarHBondContact OG1-NH1 3.41Å
254G93.4Very high95.9Very high78 Ų7827.9 Ų27.980%0.80417%0.168SC*.Hα-helixtrans-69.9-13.9178.500000115.5P252P252-G254 VanDerWaalsContact C-N 3.33Å; P252-G254 PolarHBondContact O-N 2.88Å
255L96.3Very high95.7Very high24 Ų2429.3 Ų29.313%0.12618%0.176CC..Hα-helixtrans-113.3-16.1-177.7-60.9-178.6000113.4V228 K232 P252 T253 A257 A258 L259V228-L255 HydrophobicContact CG1-CD1 4.41Å; K232-L255 HydrophobicContact CG-CD1 4.13Å; K232-L255 HydrophobicContact CG-CD2 4.11Å; P252-L255 HydrophobicContact CB-CB 4.49Å; P252-L255 HydrophobicContact CG-CD1 4.23Å; P252-L255 PolarHBondContact O-N 3.3Å; T253-L255 PolarHBondContact O-N 3.49Å; L255-A257 PolarHBondContact O-N 3.15Å; L255-A258 PolarHBondContact O-N 3.34Å; L255-A258 VanDerWaalsContact O-N 3.09Å; L255-L259 HydrophobicContact CB-CD1 3.9Å; L255-L259 HydrophobicContact CB-CG 4.38Å; L255-L259 WeakPolarHBondContact O-CG 3.38Å; L255-L259 PolarHBondContact O-N 3.42Å
256R97.6Very high95.4Very high13 Ų1325.3 Ų25.35%0.04916%0.158CC..Hα-helixtrans-53-50.8-171.9-172.5173.3-61.1107.80.8112.9C251 P252 T253 A258 L259 W260 L378 D465C251-R256 HydrophobicContact CB-CB 3.82Å; C251-R256 HydrophobicContact CB-CG 3.82Å; C251-R256 PolarHBondContact O-NH2 3.35Å; P252-R256 PolarHBondContact O-N 3.05Å; T253-R256 PolarHBondContact OG1-NH1 3.41Å; R256-A258 VanDerWaalsContact C-N 3.27Å; R256-A258 PolarHBondContact O-N 2.97Å; R256-L259 PolarHBondContact O-N 3.5Å; R256-W260 HydrophobicContact CG-CD2 4.28Å; R256-W260 HydrophobicContact CG-CG 4.35Å; R256-W260 HydrophobicContact CG-CZ2 4.17Å; R256-W260 WeakPolarHBondContact O-CB 3.46Å; R256-W260 VanDerWaalsContact O-CD1 3.26Å; R256-W260 PolarHBondContact O-N 3.4Å; R256-L378 HydrophobicContact CB-CD2 4.44Å; R256-L378 HydrophobicContact CG-CD1 4.33Å; R256-L378 HydrophobicContact CG-CD2 4.27Å; R256-D465 IonicContact NE-OD1 3.47Å; R256-D465 IonicContact NE-OD2 3.95Å; R256-D465 PolarHBondContact NE-OD2 3.15Å
257A97.5Very high94.9Very high28 Ų2826.8 Ų26.823%0.23117%0.169CC..Hα-helixtrans-58.4-38.3-179.200000112.8L255 A261 L378 Y379L255-A257 PolarHBondContact O-N 3.15Å; A257-A261 VanDerWaalsContact O-CB 3.31Å; A257-A261 WeakPolarHBondContact O-CB 3.49Å; A257-A261 PolarHBondContact O-N 3.32Å; A257-A261 VanDerWaalsContact O-N 3.13Å; A257-L378 HydrophobicContact CB-CB 4.31Å; A257-Y379 WeakPolarHBondContact CA-OH 3.37Å; A257-Y379 HydrophobicContact CB-CD1 4.29Å; A257-Y379 HydrophobicContact CB-CE1 3.68Å; A257-Y379 PolarHBondContact O-OH 3.39Å
258A97.2Very high94.3Very high39 Ų3929 Ų2932%0.32218%0.18SC..Hα-helixtrans-74.7-43.8178.900000112.1V235 L255 R256 A261 L262V235-A258 HydrophobicContact CG1-CB 4.06Å; V235-A258 HydrophobicContact CG2-CB 4.1Å; L255-A258 PolarHBondContact O-N 3.34Å; L255-A258 VanDerWaalsContact O-N 3.09Å; R256-A258 VanDerWaalsContact C-N 3.27Å; R256-A258 PolarHBondContact O-N 2.97Å; A258-A261 PolarHBondContact O-N 2.88Å; A258-L262 WeakPolarHBondContact O-CG 3.42Å; A258-L262 PolarHBondContact O-N 3.48Å
259L97.8Very high93.9Very high0 Ų029.6 Ų29.60%019%0.186CC..Hα-helixtrans-61.6-45.5176.8-70.9166000111.2V234 V235 A243 Y246 C251 L255 R256 A261 L262 I263V234-L259 HydrophobicContact CG1-CD2 3.99Å; V235-L259 HydrophobicContact CG2-CD2 3.85Å; V235-L259 HydrophobicContact CG2-CG 4.06Å; A243-L259 HydrophobicContact CB-CD2 4.01Å; Y246-L259 HydrophobicContact CD1-CD1 3.76Å; Y246-L259 HydrophobicContact CD1-CD2 4.23Å; Y246-L259 HydrophobicContact CE1-CD1 3.59Å; C251-L259 HydrophobicContact CB-CD1 3.97Å; L255-L259 HydrophobicContact CB-CD1 3.9Å; L255-L259 HydrophobicContact CB-CG 4.38Å; L255-L259 WeakPolarHBondContact O-CG 3.38Å; L255-L259 PolarHBondContact O-N 3.42Å; R256-L259 PolarHBondContact O-N 3.5Å; L259-A261 VanDerWaalsContact C-N 3.35Å; L259-A261 PolarHBondContact O-N 3.37Å; L259-L262 WeakPolarHBondContact O-CB 3.42Å; L259-L262 PolarHBondContact O-N 3.12Å; L259-L262 VanDerWaalsContact O-N 3.16Å; L259-I263 VanDerWaalsContact O-CG1 3.32Å; L259-I263 WeakPolarHBondContact O-CG1 3.34Å; L259-I263 PolarHBondContact O-N 2.9Å
260W97.7Very high93.6Very high0 Ų031.7 Ų31.70%020%0.202CC..Hα-helixtrans-63-42.2176.7-74.626.6000111.8R256 L262 I263 L264 L375 L378 L461 W464 D465 L468R256-W260 HydrophobicContact CG-CD2 4.28Å; R256-W260 HydrophobicContact CG-CG 4.35Å; R256-W260 HydrophobicContact CG-CZ2 4.17Å; R256-W260 WeakPolarHBondContact O-CB 3.46Å; R256-W260 VanDerWaalsContact O-CD1 3.26Å; R256-W260 PolarHBondContact O-N 3.4Å; W260-L262 VanDerWaalsContact C-N 3.27Å; W260-L262 PolarHBondContact O-N 2.95Å; W260-I263 PolarHBondContact O-N 3.23Å; W260-L264 VanDerWaalsContact O-CB 3.27Å; W260-L264 WeakPolarHBondContact O-CB 3.4Å; W260-L264 VanDerWaalsContact O-CG 3.31Å; W260-L264 WeakPolarHBondContact O-CG 3.27Å; W260-L264 PolarHBondContact O-N 3.37Å; W260-L375 HydrophobicContact CE3-CD2 4.13Å; W260-L375 HydrophobicContact CZ3-CD2 3.56Å; W260-L378 HydrophobicContact CD2-CD1 4.18Å; W260-L378 HydrophobicContact CE3-CD1 3.7Å; W260-L378 HydrophobicContact CH2-CD1 4.05Å; W260-L378 HydrophobicContact CZ3-CD1 3.64Å; W260-L461 HydrophobicContact CH2-CD2 3.69Å; W260-L461 HydrophobicContact CZ2-CD2 4.32Å; W260-L461 HydrophobicContact CZ3-CD2 4.39Å; W260-W464 HydrophobicContact CH2-CB 3.41Å; W260-W464 VanDerWaalsContact CH2-CB 3.41Å; W260-W464 HydrophobicContact CH2-CD2 4.35Å; W260-W464 AromaticContact CH2-CE3 3.77Å; W260-W464 HydrophobicContact CH2-CE3 3.77Å; W260-W464 HydrophobicContact CH2-CG 4.29Å; W260-W464 HydrophobicContact CZ2-CB 3.72Å; W260-W464 HydrophobicContact CZ3-CB 4.4Å; W260-W464 AromaticContact CZ3-CE3 3.88Å; W260-W464 HydrophobicContact CZ3-CE3 3.88Å; W260-D465 WeakPolarHBondContact CZ2-OD1 3.38Å; W260-D465 PolarHBondContact NE1-OD1 3.04Å; W260-L468 HydrophobicContact CB-CD1 4Å; W260-L468 HydrophobicContact CD2-CD1 3.26Å; W260-L468 VanDerWaalsContact CE2-CD1 3.5Å; W260-L468 HydrophobicContact CE3-CD1 3.78Å; W260-L468 HydrophobicContact CG-CD1 3.35Å; W260-L468 HydrophobicContact CZ2-CD1 4.21Å; W260-L468 HydrophobicContact CZ3-CD1 4.43Å
261A96.1Very high93.3Very high14 Ų1435.8 Ų35.812%0.11622%0.221CC..Hα-helixtrans-59.5-38.6174.900000112A257 A258 L259 N265 S266A257-A261 VanDerWaalsContact O-CB 3.31Å; A257-A261 WeakPolarHBondContact O-CB 3.49Å; A257-A261 PolarHBondContact O-N 3.32Å; A257-A261 VanDerWaalsContact O-N 3.13Å; A258-A261 PolarHBondContact O-N 2.88Å; L259-A261 VanDerWaalsContact C-N 3.35Å; L259-A261 PolarHBondContact O-N 3.37Å; A261-N265 CarbonylContact O-C 3.21Å; A261-N265 WeakPolarHBondContact O-CA 3.39Å; A261-N265 PolarHBondContact O-N 3.35Å; A261-S266 PolarHBondContact O-N 2.95Å
262L95.3Very high93Very high14 Ų1437.4 Ų37.47%0.07323%0.23CC..Hα-helixtrans-66.5-47.4175.1-73.1173000112.5V235 Q238 S240 A243 A258 L259 W260 L264 N265V235-L262 HydrophobicContact CG2-CD1 4.38Å; Q238-L262 HydrophobicContact CB-CD2 4.28Å; S240-L262 WeakPolarHBondContact CB-O 3.48Å; S240-L262 PolarHBondContact OG-O 2.82Å; A243-L262 HydrophobicContact CB-CB 3.94Å; A243-L262 HydrophobicContact CB-CD1 4.33Å; A258-L262 WeakPolarHBondContact O-CG 3.42Å; A258-L262 PolarHBondContact O-N 3.48Å; L259-L262 WeakPolarHBondContact O-CB 3.42Å; L259-L262 PolarHBondContact O-N 3.12Å; L259-L262 VanDerWaalsContact O-N 3.16Å; W260-L262 VanDerWaalsContact C-N 3.27Å; W260-L262 PolarHBondContact O-N 2.95Å; L262-L264 VanDerWaalsContact C-N 3.34Å; L262-L264 PolarHBondContact O-N 2.88Å; L262-N265 PolarHBondContact O-N 3.42Å; L262-N265 VanDerWaalsContact O-N 3.07Å
263I95.9Very high93.1Very high2 Ų240.4 Ų40.41%0.0124%0.244CC..Hα-helixtrans-61.3-45.5179.2-64.4166.1000110.6A243 Q244 S247 L259 W260 N265 R395 L468A243-I263 HydrophobicContact CB-CD1 4.49Å; A243-I263 HydrophobicContact CB-CG1 3.85Å; Q244-I263 HydrophobicContact CB-CD1 4.44Å; Q244-I263 HydrophobicContact CB-CG1 4.09Å; Q244-I263 HydrophobicContact CB-CG2 4.4Å; S247-I263 WeakPolarHBondContact OG-CD1 3.44Å; L259-I263 VanDerWaalsContact O-CG1 3.32Å; L259-I263 WeakPolarHBondContact O-CG1 3.34Å; L259-I263 PolarHBondContact O-N 2.9Å; W260-I263 PolarHBondContact O-N 3.23Å; I263-N265 PolarHBondContact O-N 2.98Å; I263-R395 PolarHBondContact O-NH1 2.88Å; I263-R395 VanDerWaalsContact O-NH1 3.1Å; I263-L468 HydrophobicContact CD1-CB 4.11Å; I263-L468 HydrophobicContact CG2-CB 4.3Å; I263-L468 HydrophobicContact CG2-CD2 4.15Å
264L93.9Very high93.2Very high0 Ų040.5 Ų40.50%024%0.238CC..THydrogen-bonded Turntrans-77.1-5.7179.1-65.2169.4000112.3W260 L262 S266 V388 E391 M392 R395 Y396 L468W260-L264 VanDerWaalsContact O-CB 3.27Å; W260-L264 WeakPolarHBondContact O-CB 3.4Å; W260-L264 VanDerWaalsContact O-CG 3.31Å; W260-L264 WeakPolarHBondContact O-CG 3.27Å; W260-L264 PolarHBondContact O-N 3.37Å; L262-L264 VanDerWaalsContact C-N 3.34Å; L262-L264 PolarHBondContact O-N 2.88Å; L264-S266 PolarHBondContact O-N 2.91Å; L264-S266 VanDerWaalsContact O-N 3.12Å; L264-V388 HydrophobicContact CD1-CG1 3.73Å; L264-E391 HydrophobicContact CB-CB 3.92Å; L264-E391 HydrophobicContact CD2-CB 3.98Å; L264-E391 HydrophobicContact CG-CB 4.38Å; L264-M392 HydrophobicContact CD1-CG 3.72Å; L264-M392 HydrophobicContact CD1-SD 3.92Å; L264-M392 HydrophobicContact CD2-CG 4.38Å; L264-M392 HydrophobicContact CD2-SD 4.15Å; L264-R395 PolarHBondContact O-NH2 2.93Å; L264-Y396 HydrophobicContact CD2-CE2 4.09Å; L264-L468 HydrophobicContact CD1-CD2 4.47Å; L264-L468 HydrophobicContact CD2-CD2 3.76Å; L264-L468 HydrophobicContact CG-CD2 4.08Å
265N91.7Very high93.4Very high42 Ų4239.2 Ų39.223%0.22521%0.211CC..THydrogen-bonded Turntrans47.837.7-172.6-159.2-0.9000111.4N64 R68 A261 L262 I263N64-N265 PolarHBondContact O-ND2 3.05Å; R68-N265 HydrophobicContact CB-CB 4.39Å; A261-N265 CarbonylContact O-C 3.21Å; A261-N265 WeakPolarHBondContact O-CA 3.39Å; A261-N265 PolarHBondContact O-N 3.35Å; L262-N265 PolarHBondContact O-N 3.42Å; L262-N265 VanDerWaalsContact O-N 3.07Å; I263-N265 PolarHBondContact O-N 2.98Å
266S90.7Very high93.5Very high7 Ų738.4 Ų38.45%0.04921%0.206CC..  trans-88.2121.5176.9165.90000107.5A261 L264 K384 S387 V388A261-S266 PolarHBondContact O-N 2.95Å; L264-S266 PolarHBondContact O-N 2.91Å; L264-S266 VanDerWaalsContact O-N 3.12Å; S266-K384 VanDerWaalsContact C-NZ 3.26Å; S266-K384 PolarHBondContact O-NZ 2.65Å; S266-K384 PolarHBondContact OG-NZ 3.5Å; S266-S387 WeakPolarHBondContact OG-CB 3.36Å; S266-S387 PolarHBondContact OG-OG 3.29Å; S266-V388 WeakPolarHBondContact OG-CG2 3.36Å
267T84.1Confident93.5Very high49 Ų4942.1 Ų42.130%0.30122%0.224SC..  trans-102.7171.4170.452.80000110.7D272 S387T267-D272 WeakPolarHBondContact CB-OD2 3.31Å; T267-D272 PolarHBondContact OG1-OD2 3.35Å; T267-S387 PolarHBondContact O-OG 2.96Å
268N86.2Confident93.5Very high45 Ų4546.9 Ų46.924%0.24124%0.242CC..  trans-131.554.5164.6-160.228.1000108.4D272 M273 S383 K384N268-D272 PolarHBondContact N-OD2 3.05Å; N268-M273 WeakPolarHBondContact ND2-CE 3.27Å; N268-S383 PolarHBondContact ND2-OG 3.47Å; N268-S383 PolarHBondContact OD1-OG 3.23Å; N268-K384 HydrophobicContact CB-CB 4.32Å; N268-K384 HydrophobicContact CB-CD 3.72Å
269Q88.6Confident93.6Very high70 Ų7045.6 Ų45.633%0.32723%0.23SC..  trans-75.9169.1175.8-70.3177.11100109.6Q271 D272 M273Q269-Q271 PolarHBondContact O-N 2.89Å; Q269-Q271 VanDerWaalsContact O-N 3.14Å; Q269-D272 PolarHBondContact N-OD2 2.8Å; Q269-D272 WeakPolarHBondContact O-CB 3.42Å; Q269-D272 PolarHBondContact O-N 2.85Å; Q269-M273 PolarHBondContact O-N 2.99Å; Q269-M273 VanDerWaalsContact O-N 3.11Å
270L88.9Confident93.6Very high122 Ų12248.2 Ų48.264%0.63924%0.239SC*.Hα-helixtrans-53.8-37.2179.5-174.766000112.3D272 M273 M274L270-D272 PolarHBondContact O-N 2.83Å; L270-M273 PolarHBondContact O-N 3.05Å; L270-M274 HydrophobicContact CG-SD 4.3Å; L270-M274 WeakPolarHBondContact O-CB 3.39Å; L270-M274 VanDerWaalsContact O-CG 3.27Å; L270-M274 WeakPolarHBondContact O-CG 3.43Å; L270-M274 PolarHBondContact O-N 3.38Å
271Q87.8Confident93.6Very high86 Ų8650 Ų5040%0.40225%0.254SS..Hα-helixtrans-64.1-39.5176-65.393.51.400112.7H22 Q269 M273 M274 H275H22-Q271 PolarHBondContact CE1-NE2 3.5Å; H22-Q271 VanDerWaalsContact CE1-NE2 3.25Å; H22-Q271 PolarHBondContact NE2-NE2 3.31Å; Q269-Q271 PolarHBondContact O-N 2.89Å; Q269-Q271 VanDerWaalsContact O-N 3.14Å; Q271-M273 VanDerWaalsContact C-N 3.35Å; Q271-M274 PolarHBondContact O-N 3.08Å; Q271-H275 WeakPolarHBondContact O-CB 3.45Å; Q271-H275 PolarHBondContact O-N 2.93Å
272D90.4Very high93.7Very high35 Ų3550.2 Ų50.219%0.18726%0.258CS..Hα-helixtrans-65.7-41.8179.2-58.3-48.6000110.5T267 N268 Q269 L270 H275 Y276T267-D272 WeakPolarHBondContact CB-OD2 3.31Å; T267-D272 PolarHBondContact OG1-OD2 3.35Å; N268-D272 PolarHBondContact N-OD2 3.05Å; Q269-D272 PolarHBondContact N-OD2 2.8Å; Q269-D272 WeakPolarHBondContact O-CB 3.42Å; Q269-D272 PolarHBondContact O-N 2.85Å; L270-D272 PolarHBondContact O-N 2.83Å; D272-H275 PolarHBondContact O-N 3.4Å; D272-Y276 PolarHBondContact O-N 3Å
273M95.3Very high93.8Very high75 Ų7549.6 Ų49.637%0.36925%0.254SS..Hα-helixtrans-63.6-43.7174.9-63.8176177.100111.4N268 Q269 L270 Q271 Y276 E277N268-M273 WeakPolarHBondContact ND2-CE 3.27Å; Q269-M273 PolarHBondContact O-N 2.99Å; Q269-M273 VanDerWaalsContact O-N 3.11Å; L270-M273 PolarHBondContact O-N 3.05Å; Q271-M273 VanDerWaalsContact C-N 3.35Å; M273-Y276 PolarHBondContact O-N 3.37Å; M273-E277 WeakPolarHBondContact O-CG 3.37Å; M273-E277 PolarHBondContact O-N 3.4Å
274M95.9Very high93.9Very high107 Ų10750.3 Ų50.353%0.52726%0.258SS..Hα-helixtrans-64.2-40.5176.4-72.9-178.673.400112.2L270 Q271 E277 Q278L270-M274 HydrophobicContact CG-SD 4.3Å; L270-M274 WeakPolarHBondContact O-CB 3.39Å; L270-M274 VanDerWaalsContact O-CG 3.27Å; L270-M274 WeakPolarHBondContact O-CG 3.43Å; L270-M274 PolarHBondContact O-N 3.38Å; Q271-M274 PolarHBondContact O-N 3.08Å; M274-E277 PolarHBondContact O-N 3.05Å; M274-Q278 VanDerWaalsContact O-CG 3.29Å; M274-Q278 WeakPolarHBondContact O-CG 3.19Å; M274-Q278 PolarHBondContact O-N 3.07Å
275H96.1Very high94.1Very high52 Ų5254.4 Ų54.424%0.24128%0.277CS..Hα-helixtrans-60.1-47.1174-178.668.9000110.6Q271 D272 E277 Q278 L279 D325Q271-H275 WeakPolarHBondContact O-CB 3.45Å; Q271-H275 PolarHBondContact O-N 2.93Å; D272-H275 PolarHBondContact O-N 3.4Å; H275-E277 PolarHBondContact O-N 3.37Å; H275-Q278 WeakPolarHBondContact O-CB 3.46Å; H275-Q278 PolarHBondContact O-N 2.9Å; H275-L279 WeakPolarHBondContact O-CG 3.19Å; H275-L279 PolarHBondContact O-N 2.63Å; H275-D325 IonicContact CE1-OD1 3.68Å; H275-D325 PolarHBondContact CE1-OD1 3.03Å; H275-D325 IonicContact CE1-OD2 2.66Å; H275-D325 VanDerWaalsContact NE2-CG 3.3Å; H275-D325 IonicContact NE2-OD1 3.09Å; H275-D325 PolarHBondContact NE2-OD1 2.96Å; H275-D325 IonicContact NE2-OD2 3.4Å; H275-D325 PolarHBondContact NE2-OD2 3.19Å
276Y97.9Very high94.4Very high7 Ų755.9 Ų55.93%0.02728%0.283CS..Hα-helixtrans-59.9-45.4175.8178.4-96.6000112.6D272 M273 Q278 L279 R280 Q317 C321 P382 Y386D272-Y276 PolarHBondContact O-N 3Å; M273-Y276 PolarHBondContact O-N 3.37Å; Y276-Q278 VanDerWaalsContact C-N 3.29Å; Y276-Q278 PolarHBondContact O-N 2.92Å; Y276-L279 WeakPolarHBondContact O-CB 3.29Å; Y276-L279 PolarHBondContact O-N 3.04Å; Y276-L279 VanDerWaalsContact O-N 3.12Å; Y276-R280 PolarHBondContact O-N 2.69Å; Y276-Q317 PolarHBondContact OH-O 3.07Å; Y276-C321 HydrophobicContact CD2-CB 4.47Å; Y276-C321 HydrophobicContact CE2-CB 4.1Å; Y276-P382 HydrophobicContact CE1-CB 4.14Å; Y276-P382 HydrophobicContact CE2-CB 4.42Å; Y276-P382 VanDerWaalsContact OH-CB 3.31Å; Y276-P382 WeakPolarHBondContact OH-CB 3.46Å; Y276-Y386 AromaticContact CD2-CD1 3.9Å; Y276-Y386 HydrophobicContact CD2-CD1 3.9Å; Y276-Y386 AromaticContact CD2-CG 3.81Å; Y276-Y386 HydrophobicContact CD2-CG 3.81Å; Y276-Y386 HydrophobicContact CE2-CG 4.2Å
277E98.1Very high94.6Very high91 Ų9156.7 Ų56.743%0.42529%0.286SS..Hα-helixtrans-64.2-33.2177.1-72-57.6136.100112.5M273 M274 H275 R280 A281M273-E277 WeakPolarHBondContact O-CG 3.37Å; M273-E277 PolarHBondContact O-N 3.4Å; M274-E277 PolarHBondContact O-N 3.05Å; H275-E277 PolarHBondContact O-N 3.37Å; E277-R280 PolarHBondContact O-N 2.83Å; E277-R280 IonicContact OE1-NH1 2.95Å; E277-R280 WeakPolarHBondContact OE2-CD 3.44Å; E277-R280 IonicContact OE2-NH1 3.02Å; E277-R280 PolarHBondContact OE2-NH1 3.46Å; E277-R280 VanDerWaalsContact OE2-NH1 3.09Å; E277-A281 WeakPolarHBondContact O-CB 3.33Å; E277-A281 PolarHBondContact O-N 2.54Å
278Q98.1Very high95.1Very high127 Ų12754.8 Ų54.859%0.59327%0.274SS*.Hα-helixtrans-64.4-42.5171.6-731714.800111.7M274 H275 Y276 A281 G282M274-Q278 VanDerWaalsContact O-CG 3.29Å; M274-Q278 WeakPolarHBondContact O-CG 3.19Å; M274-Q278 PolarHBondContact O-N 3.07Å; H275-Q278 WeakPolarHBondContact O-CB 3.46Å; H275-Q278 PolarHBondContact O-N 2.9Å; Y276-Q278 VanDerWaalsContact C-N 3.29Å; Y276-Q278 PolarHBondContact O-N 2.92Å; Q278-A281 PolarHBondContact O-N 2.96Å; Q278-G282 PolarHBondContact O-N 3Å
279L98.5Very high95.6Very high13 Ų1352.7 Ų52.77%0.06826%0.263CS..Hα-helixtrans-63-45.3175-64173.6000111.1H275 Y276 A281 G282 V283 C321 R324 D325 Y386H275-L279 WeakPolarHBondContact O-CG 3.19Å; H275-L279 PolarHBondContact O-N 2.63Å; Y276-L279 WeakPolarHBondContact O-CB 3.29Å; Y276-L279 PolarHBondContact O-N 3.04Å; Y276-L279 VanDerWaalsContact O-N 3.12Å; L279-A281 VanDerWaalsContact C-N 3.34Å; L279-A281 PolarHBondContact O-N 2.64Å; L279-G282 CarbonylContact O-C 3.52Å; L279-G282 WeakPolarHBondContact O-CA 3.32Å; L279-G282 PolarHBondContact O-N 3.42Å; L279-V283 WeakPolarHBondContact O-CG2 3.2Å; L279-V283 PolarHBondContact O-N 2.93Å; L279-C321 HydrophobicContact CB-CB 3.89Å; L279-C321 HydrophobicContact CD1-CB 4.32Å; L279-R324 HydrophobicContact CD2-CB 3.98Å; L279-D325 HydrophobicContact CD1-CB 3.88Å; L279-D325 HydrophobicContact CD2-CB 3.77Å; L279-D325 HydrophobicContact CG-CB 4.5Å; L279-Y386 HydrophobicContact CD1-CD1 4.46Å; L279-Y386 HydrophobicContact CD1-CE1 3.59Å; L279-Y386 HydrophobicContact CD1-CE2 4.2Å; L279-Y386 VanDerWaalsContact CD1-CZ 3.44Å; L279-Y386 WeakPolarHBondContact CD1-OH 3.42Å
280R98.4Very high96Very high55 Ų5549.4 Ų49.421%0.20825%0.248CC..Hα-helixtrans-57.1-45.3174.1174.5178.5-179.8-1555.5111.7W135 Y276 E277 G282 V283 I284W135-R280 HydrophobicContact CD2-CG 4.09Å; W135-R280 HydrophobicContact CE3-CG 4.26Å; W135-R280 HydrophobicContact CH2-CB 4.23Å; W135-R280 HydrophobicContact CH2-CG 3.77Å; W135-R280 HydrophobicContact CZ2-CB 4.06Å; W135-R280 HydrophobicContact CZ2-CG 3.57Å; W135-R280 HydrophobicContact CZ3-CG 4.1Å; Y276-R280 PolarHBondContact O-N 2.69Å; E277-R280 PolarHBondContact O-N 2.83Å; E277-R280 IonicContact OE1-NH1 2.95Å; E277-R280 WeakPolarHBondContact OE2-CD 3.44Å; E277-R280 IonicContact OE2-NH1 3.02Å; E277-R280 PolarHBondContact OE2-NH1 3.46Å; E277-R280 VanDerWaalsContact OE2-NH1 3.09Å; R280-G282 VanDerWaalsContact C-N 3.27Å; R280-G282 PolarHBondContact O-N 2.93Å; R280-V283 CarbonylContact O-C 3.52Å; R280-V283 WeakPolarHBondContact O-CA 3.45Å; R280-V283 WeakPolarHBondContact O-CB 3.31Å; R280-V283 PolarHBondContact O-N 2.97Å; R280-V283 VanDerWaalsContact O-N 3.09Å; R280-I284 HydrophobicContact CG-CD1 4.04Å; R280-I284 WeakPolarHBondContact O-CG1 3.18Å; R280-I284 PolarHBondContact O-N 2.8Å
281A98.2Very high96.3Very high38 Ų3843.7 Ų43.731%0.31422%0.218SC..Hα-helixtrans-59.8-39.3174.200000111.6E277 Q278 L279 I284 Q285E277-A281 WeakPolarHBondContact O-CB 3.33Å; E277-A281 PolarHBondContact O-N 2.54Å; Q278-A281 PolarHBondContact O-N 2.96Å; L279-A281 VanDerWaalsContact C-N 3.34Å; L279-A281 PolarHBondContact O-N 2.64Å; A281-I284 PolarHBondContact O-N 3.49Å; A281-Q285 WeakPolarHBondContact O-CB 3.44Å; A281-Q285 WeakPolarHBondContact O-CG 3.47Å; A281-Q285 PolarHBondContact O-N 3.05Å
282G98Very high96.7Very high18 Ų1841 Ų4119%0.18621%0.206CC..Hα-helixtrans-61-42.8171.400000113Q278 L279 R280 I284 Q285 H286Q278-G282 PolarHBondContact O-N 3Å; L279-G282 CarbonylContact O-C 3.52Å; L279-G282 WeakPolarHBondContact O-CA 3.32Å; L279-G282 PolarHBondContact O-N 3.42Å; R280-G282 VanDerWaalsContact C-N 3.27Å; R280-G282 PolarHBondContact O-N 2.93Å; G282-I284 VanDerWaalsContact C-N 3.32Å; G282-I284 PolarHBondContact O-N 3.08Å; G282-Q285 PolarHBondContact O-N 3.4Å; G282-H286 PolarHBondContact O-N 2.79Å
283V98.1Very high97Very high0 Ų039.7 Ų39.70%020%0.199CC..Hα-helixtrans-62.5-37.9173.2179.40000110.9R123 W135 L279 R280 L320R123-V283 VanDerWaalsContact CZ-O 3.26Å; R123-V283 PolarHBondContact NH1-O 3.02Å; W135-V283 HydrophobicContact CH2-CB 4.05Å; W135-V283 HydrophobicContact CH2-CG1 3.95Å; W135-V283 HydrophobicContact CH2-CG2 4.37Å; W135-V283 HydrophobicContact CZ3-CB 4.04Å; W135-V283 HydrophobicContact CZ3-CG1 3.65Å; L279-V283 WeakPolarHBondContact O-CG2 3.2Å; L279-V283 PolarHBondContact O-N 2.93Å; R280-V283 CarbonylContact O-C 3.52Å; R280-V283 WeakPolarHBondContact O-CA 3.45Å; R280-V283 WeakPolarHBondContact O-CB 3.31Å; R280-V283 PolarHBondContact O-N 2.97Å; R280-V283 VanDerWaalsContact O-N 3.09Å; V283-L320 HydrophobicContact CB-CB 4.48Å; V283-L320 HydrophobicContact CG1-CB 3.76Å; V283-L320 HydrophobicContact CG1-CD1 3.91Å; V283-L320 HydrophobicContact CG1-CG 4.41Å; V283-L320 HydrophobicContact CG2-CB 3.77Å
284I97.9Very high97.1Very high18 Ų1836.5 Ų36.59%0.09218%0.184CC..Hα-helixtrans-68.5-47.9177.3-68.5157.3000110.4R123 Q128 I132 R280 A281 G282R123-I284 WeakPolarHBondContact CD-O 3.36Å; R123-I284 PolarHBondContact NH1-O 3.14Å; R123-I284 VanDerWaalsContact NH1-O 3.08Å; Q128-I284 HydrophobicContact CB-CG2 3.86Å; Q128-I284 HydrophobicContact CG-CG2 4.05Å; I132-I284 HydrophobicContact CD1-CG2 4.01Å; I132-I284 HydrophobicContact CG1-CD1 3.71Å; I132-I284 HydrophobicContact CG1-CG1 4.13Å; I132-I284 HydrophobicContact CG1-CG2 3.88Å; R280-I284 HydrophobicContact CG-CD1 4.04Å; R280-I284 WeakPolarHBondContact O-CG1 3.18Å; R280-I284 PolarHBondContact O-N 2.8Å; A281-I284 PolarHBondContact O-N 3.49Å; G282-I284 VanDerWaalsContact C-N 3.32Å; G282-I284 PolarHBondContact O-N 3.08Å
285Q97.8Very high97.1Very high85 Ų8532.8 Ų32.840%0.39716%0.164SC..Hα-helixtrans-71.8-34.7-172.5-69.9172.617.400114.1R123 A281 G282R123-Q285 PolarHBondContact N-O 2.95Å; A281-Q285 WeakPolarHBondContact O-CB 3.44Å; A281-Q285 WeakPolarHBondContact O-CG 3.47Å; A281-Q285 PolarHBondContact O-N 3.05Å; G282-Q285 PolarHBondContact O-N 3.4Å
286H96.7Very high97.1Very high74 Ų7432.2 Ų32.234%0.34316%0.161SC..EExtended strand (participates in β ladder)trans-127.2122.9-169.4-61.191.4000112.8R121 R123 G282 R324R121-H286 WeakPolarHBondContact O-CA 3.14Å; R123-H286 PolarHBondContact NH1-O 3.25Å; G282-H286 PolarHBondContact O-N 2.79Å; H286-R324 PolarHBondContact O-NH2 3.15Å
287N95.1Very high97Very high24 Ų2432.3 Ų32.313%0.12816%0.162CC..EExtended strand (participates in β ladder)trans-89122.7173.5-174.57.6000108.8A120 R121 R123 D291A120-N287 CarbonylContact C-O 3.38Å; A120-N287 WeakPolarHBondContact CA-O 3.33Å; R121-N287 HydrophobicContact CG-CB 3.98Å; R121-N287 PolarHBondContact N-O 2.86Å; R121-N287 PolarHBondContact NH2-ND2 3.39Å; R121-N287 PolarHBondContact O-N 3.37Å; R123-N287 HydrophobicContact CG-CB 3.77Å; R123-N287 VanDerWaalsContact CZ-CA 3.45Å; R123-N287 VanDerWaalsContact NH1-N 3.18Å; N287-D291 PolarHBondContact OD1-OD2 2.82Å
288L95.9Very high96.9Very high8 Ų828 Ų284%0.04214%0.142CC..EExtended strand (participates in β ladder)trans-107.8144.3176.3-51.1-179000109L119 A120 V290 D291 Y357 P359L119-L288 CarbonylContact O-C 3.58Å; L119-L288 VanDerWaalsContact O-CA 3.31Å; L119-L288 WeakPolarHBondContact O-CA 3.41Å; A120-L288 HydrophobicContact CB-CD2 3.62Å; L288-V290 HydrophobicContact CB-CG2 3.77Å; L288-V290 HydrophobicContact CD1-CG2 4.16Å; L288-V290 PolarHBondContact O-N 3.1Å; L288-D291 PolarHBondContact N-OD2 3.42Å; L288-D291 VanDerWaalsContact N-OD2 3.08Å; L288-D291 WeakPolarHBondContact O-CB 3.37Å; L288-D291 VanDerWaalsContact O-CG 3.23Å; L288-D291 PolarHBondContact O-N 3.09Å; L288-Y357 HydrophobicContact CB-CE2 4.43Å; L288-Y357 HydrophobicContact CD2-CE2 4.21Å; L288-P359 HydrophobicContact CD1-CG 4.42Å
289L95.5Very high96.7Very high1 Ų124.5 Ų24.51%0.00512%0.124CC..Hα-helixtrans-52.2-40.2172.3-175.4158.2000111.4L108 M111 L119 D291 N292 L293 Y357L108-L289 HydrophobicContact CD1-CD2 3.66Å; M111-L289 HydrophobicContact SD-CD2 4.2Å; L119-L289 HydrophobicContact CD2-CB 4.45Å; L119-L289 HydrophobicContact CD2-CD1 4.11Å; L119-L289 PolarHBondContact O-N 2.88Å; L289-D291 PolarHBondContact O-N 2.86Å; L289-D291 VanDerWaalsContact O-N 3.14Å; L289-N292 WeakPolarHBondContact O-CB 3.38Å; L289-N292 PolarHBondContact O-N 3.33Å; L289-N292 VanDerWaalsContact O-N 3.09Å; L289-N292 PolarHBondContact O-ND2 2.83Å; L289-L293 HydrophobicContact CD2-CD1 4.06Å; L289-L293 HydrophobicContact CD2-CG 4.18Å; L289-Y357 WeakPolarHBondContact CB-OH 3.45Å; L289-Y357 PolarHBondContact N-OH 3.4Å
290V96.7Very high96.4Very high1 Ų127.2 Ų27.21%0.00614%0.139CC..Hα-helixtrans-61.7-17.7177.2-62.30000114.6L108 L288 N292 L293 I294 Y357 P358L108-V290 HydrophobicContact CD1-CG1 4.48Å; L288-V290 HydrophobicContact CB-CG2 3.77Å; L288-V290 HydrophobicContact CD1-CG2 4.16Å; L288-V290 PolarHBondContact O-N 3.1Å; V290-N292 VanDerWaalsContact C-N 3.32Å; V290-N292 PolarHBondContact O-N 2.98Å; V290-L293 HydrophobicContact CG1-CD1 4.19Å; V290-L293 WeakPolarHBondContact O-CB 3.29Å; V290-L293 PolarHBondContact O-N 3.16Å; V290-I294 WeakPolarHBondContact O-CG1 3.35Å; V290-I294 PolarHBondContact O-N 3.08Å; V290-Y357 HydrophobicContact CG1-CE1 4.01Å; V290-Y357 PolarHBondContact N-OH 3.03Å; V290-P358 HydrophobicContact CB-CG 4.05Å; V290-P358 HydrophobicContact CG1-CG 3.45Å; V290-P358 VanDerWaalsContact CG1-CG 3.45Å; V290-P358 HydrophobicContact CG2-CB 3.98Å; V290-P358 HydrophobicContact CG2-CG 3.61Å
291D96.6Very high96.2Very high2 Ų225.2 Ų25.21%0.01113%0.133CC..Hα-helixtrans-61-46172.6-61.1-7.6000109.9R123 N287 L288 L289 L293 I294 Y295 L320 R324R123-D291 IonicContact NH2-OD2 3.19Å; R123-D291 PolarHBondContact NH2-OD2 2.95Å; N287-D291 PolarHBondContact OD1-OD2 2.82Å; L288-D291 PolarHBondContact N-OD2 3.42Å; L288-D291 VanDerWaalsContact N-OD2 3.08Å; L288-D291 WeakPolarHBondContact O-CB 3.37Å; L288-D291 VanDerWaalsContact O-CG 3.23Å; L288-D291 PolarHBondContact O-N 3.09Å; L289-D291 PolarHBondContact O-N 2.86Å; L289-D291 VanDerWaalsContact O-N 3.14Å; D291-L293 PolarHBondContact O-N 3.12Å; D291-I294 WeakPolarHBondContact O-CB 3.43Å; D291-I294 PolarHBondContact O-N 3.34Å; D291-I294 VanDerWaalsContact O-N 3.12Å; D291-Y295 HydrophobicContact CB-CD2 4.44Å; D291-Y295 HydrophobicContact CB-CE2 4.44Å; D291-Y295 WeakPolarHBondContact O-CD2 3.42Å; D291-Y295 PolarHBondContact O-N 2.78Å; D291-L320 HydrophobicContact CB-CD2 3.85Å; D291-R324 IonicContact OD1-CZ 2.93Å; D291-R324 IonicContact OD1-NH1 3.86Å; D291-R324 PolarHBondContact OD1-NH1 3.29Å; D291-R324 IonicContact OD1-NH2 3.82Å; D291-R324 PolarHBondContact OD1-NH2 2.66Å; D291-R324 IonicContact OD2-CZ 2.74Å; D291-R324 IonicContact OD2-NH1 3.25Å; D291-R324 IonicContact OD2-NH2 2.96Å; D291-R324 PolarHBondContact OD2-NH2 3.49Å
292N96.1Very high95.9Very high29 Ų2923.4 Ų23.416%0.15512%0.118CC..Hα-helixtrans-64.7-32.5178.5-57.5-79.8000111.7L145 F148 L289 V290 K296L145-N292 HydrophobicContact CD2-CB 4.15Å; F148-N292 HydrophobicContact CD1-CB 3.68Å; F148-N292 HydrophobicContact CD2-CB 4.2Å; F148-N292 HydrophobicContact CE1-CB 3.44Å; F148-N292 VanDerWaalsContact CE1-CB 3.44Å; F148-N292 HydrophobicContact CE2-CB 3.98Å; F148-N292 HydrophobicContact CG-CB 4.05Å; F148-N292 HydrophobicContact CZ-CB 3.6Å; L289-N292 WeakPolarHBondContact O-CB 3.38Å; L289-N292 PolarHBondContact O-N 3.33Å; L289-N292 VanDerWaalsContact O-N 3.09Å; L289-N292 PolarHBondContact O-ND2 2.83Å; V290-N292 VanDerWaalsContact C-N 3.32Å; V290-N292 PolarHBondContact O-N 2.98Å; N292-K296 VanDerWaalsContact O-CB 3.24Å; N292-K296 WeakPolarHBondContact O-CB 3.32Å; N292-K296 PolarHBondContact O-N 3.39Å
293L96.8Very high95.5Very high9 Ų923.9 Ų23.95%0.04712%0.118CC..Hα-helixtrans-68-40.6174-61.6178.4000111.3L108 M111 F148 V151 L289 V290 D291 K296 D297 P364L108-L293 HydrophobicContact CD1-CD1 4.04Å; M111-L293 HydrophobicContact CE-CD2 4.01Å; M111-L293 HydrophobicContact SD-CD2 3.85Å; F148-L293 HydrophobicContact CD1-CD2 4.49Å; V151-L293 HydrophobicContact CG2-CD1 3.41Å; V151-L293 VanDerWaalsContact CG2-CD1 3.41Å; V151-L293 HydrophobicContact CG2-CD2 4.32Å; L289-L293 HydrophobicContact CD2-CD1 4.06Å; L289-L293 HydrophobicContact CD2-CG 4.18Å; V290-L293 HydrophobicContact CG1-CD1 4.19Å; V290-L293 WeakPolarHBondContact O-CB 3.29Å; V290-L293 PolarHBondContact O-N 3.16Å; D291-L293 PolarHBondContact O-N 3.12Å; L293-K296 PolarHBondContact O-N 3.04Å; L293-D297 VanDerWaalsContact O-CB 3.3Å; L293-D297 WeakPolarHBondContact O-CB 3.43Å; L293-D297 PolarHBondContact O-N 2.97Å; L293-P364 HydrophobicContact CB-CG 3.98Å; L293-P364 HydrophobicContact CD1-CG 4.36Å
294I97.3Very high94.9Very high8 Ų829.4 Ų29.44%0.04115%0.148CC..Hα-helixtrans-64.6-49.9175.3-69.6163.3000110.3V290 D291 K296 D297 V298 Y316 L319 L320 P364V290-I294 WeakPolarHBondContact O-CG1 3.35Å; V290-I294 PolarHBondContact O-N 3.08Å; D291-I294 WeakPolarHBondContact O-CB 3.43Å; D291-I294 PolarHBondContact O-N 3.34Å; D291-I294 VanDerWaalsContact O-N 3.12Å; I294-K296 VanDerWaalsContact C-N 3.31Å; I294-K296 PolarHBondContact O-N 3.04Å; I294-D297 PolarHBondContact O-N 3.47Å; I294-D297 VanDerWaalsContact O-N 3.15Å; I294-V298 WeakPolarHBondContact O-CG2 3.48Å; I294-V298 PolarHBondContact O-N 2.9Å; I294-Y316 HydrophobicContact CG2-CD1 4.22Å; I294-L319 HydrophobicContact CD1-CB 4.24Å; I294-L319 HydrophobicContact CG1-CB 4.44Å; I294-L319 HydrophobicContact CG2-CB 3.63Å; I294-L319 HydrophobicContact CG2-CD1 3.98Å; I294-L319 HydrophobicContact CG2-CG 4.47Å; I294-L320 HydrophobicContact CB-CD2 4.4Å; I294-L320 HydrophobicContact CD1-CD2 4.1Å; I294-L320 HydrophobicContact CG2-CD2 4.28Å; I294-P364 HydrophobicContact CG1-CG 4.25Å
295Y96.3Very high94.6Very high29 Ų2930 Ų3011%0.11415%0.151CC..Hα-helixtrans-54.6-47174.5-78.8-69.9000111.6P143 D291 D297 K299 Y316 L320P143-Y295 HydrophobicContact CG-CD1 4.39Å; P143-Y295 HydrophobicContact CG-CG 4.34Å; D291-Y295 HydrophobicContact CB-CD2 4.44Å; D291-Y295 HydrophobicContact CB-CE2 4.44Å; D291-Y295 WeakPolarHBondContact O-CD2 3.42Å; D291-Y295 PolarHBondContact O-N 2.78Å; Y295-D297 VanDerWaalsContact C-N 3.35Å; Y295-D297 PolarHBondContact O-N 2.88Å; Y295-K299 WeakPolarHBondContact O-CG 3.28Å; Y295-K299 PolarHBondContact O-N 2.86Å; Y295-K299 VanDerWaalsContact O-N 3.12Å; Y295-Y316 AromaticContact CD1-CD1 3.79Å; Y295-Y316 HydrophobicContact CD1-CD1 3.79Å; Y295-Y316 HydrophobicContact CD1-CD2 4.19Å; Y295-Y316 AromaticContact CD1-CE1 3.35Å; Y295-Y316 HydrophobicContact CD1-CE1 3.35Å; Y295-Y316 AromaticContact CD1-CE2 3.73Å; Y295-Y316 HydrophobicContact CD1-CE2 3.73Å; Y295-Y316 HydrophobicContact CD1-CG 4.21Å; Y295-Y316 AromaticContact CD1-CZ 3.32Å; Y295-Y316 AromaticContact CE1-CD1 3.83Å; Y295-Y316 HydrophobicContact CE1-CD1 3.83Å; Y295-Y316 AromaticContact CE1-CD2 3.74Å; Y295-Y316 HydrophobicContact CE1-CD2 3.74Å; Y295-Y316 AromaticContact CE1-CE1 3.83Å; Y295-Y316 HydrophobicContact CE1-CE1 3.83Å; Y295-Y316 AromaticContact CE1-CE2 3.66Å; Y295-Y316 HydrophobicContact CE1-CE2 3.66Å; Y295-Y316 AromaticContact CE1-CG 3.81Å; Y295-Y316 HydrophobicContact CE1-CG 3.81Å; Y295-Y316 AromaticContact CE1-CZ 3.76Å; Y295-Y316 HydrophobicContact CG-CD1 4.49Å; Y295-Y316 HydrophobicContact CG-CE1 4.07Å; Y295-L320 HydrophobicContact CE2-CD1 4.31Å; Y295-L320 HydrophobicContact CE2-CD2 4.44Å
296K95.3Very high94.1Very high39 Ų3932.8 Ų32.817%0.1717%0.168CC..Hα-helixtrans-62.2-43.3177.3-173.672.6-175.4-174.40112L145 N292 L293 I294 L300L145-K296 HydrophobicContact CB-CD 3.78Å; L145-K296 HydrophobicContact CD1-CB 4.19Å; L145-K296 HydrophobicContact CD1-CD 4.28Å; L145-K296 PolarHBondContact O-NZ 2.89Å; N292-K296 VanDerWaalsContact O-CB 3.24Å; N292-K296 WeakPolarHBondContact O-CB 3.32Å; N292-K296 PolarHBondContact O-N 3.39Å; L293-K296 PolarHBondContact O-N 3.04Å; I294-K296 VanDerWaalsContact C-N 3.31Å; I294-K296 PolarHBondContact O-N 3.04Å; K296-L300 HydrophobicContact CD-CD1 4.28Å; K296-L300 HydrophobicContact CD-CG 4.39Å; K296-L300 HydrophobicContact CG-CD1 3.93Å; K296-L300 HydrophobicContact CG-CG 4.35Å; K296-L300 WeakPolarHBondContact O-CB 3.38Å; K296-L300 VanDerWaalsContact O-CG 3.27Å; K296-L300 WeakPolarHBondContact O-CG 3.43Å; K296-L300 PolarHBondContact O-N 3.22Å
297D96.3Very high93.7Very high10 Ų1034.3 Ų34.35%0.05317%0.172CC..Hα-helixtrans-64.7-47.9-177.2-165.252.5000111.5L293 I294 Y295 K299 L300 T301 H366 G367 F368 S369L293-D297 VanDerWaalsContact O-CB 3.3Å; L293-D297 WeakPolarHBondContact O-CB 3.43Å; L293-D297 PolarHBondContact O-N 2.97Å; I294-D297 PolarHBondContact O-N 3.47Å; I294-D297 VanDerWaalsContact O-N 3.15Å; Y295-D297 VanDerWaalsContact C-N 3.35Å; Y295-D297 PolarHBondContact O-N 2.88Å; D297-K299 PolarHBondContact O-N 3.12Å; D297-L300 PolarHBondContact O-N 3.45Å; D297-T301 WeakPolarHBondContact O-CB 3.14Å; D297-T301 WeakPolarHBondContact O-CG2 3.31Å; D297-T301 PolarHBondContact O-N 2.84Å; D297-T301 PolarHBondContact O-OG1 2.99Å; D297-H366 WeakPolarHBondContact OD1-CA 3.48Å; D297-H366 IonicContact OD1-ND1 2.65Å; D297-H366 PolarHBondContact OD1-ND1 2.85Å; D297-G367 PolarHBondContact OD1-N 3.49Å; D297-G367 PolarHBondContact OD2-N 3.39Å; D297-F368 PolarHBondContact OD2-N 3.44Å; D297-S369 PolarHBondContact OD2-N 3.26Å; D297-S369 PolarHBondContact OD2-OG 3.49Å
298V96.3Very high93.7Very high0 Ų033.2 Ų33.20%017%0.166CC..Hα-helixtrans-57.9-49.9177.2173.60000111I294 L300 T301 A302 S303 E312 L315 Y316 L319I294-V298 WeakPolarHBondContact O-CG2 3.48Å; I294-V298 PolarHBondContact O-N 2.9Å; V298-L300 VanDerWaalsContact C-N 3.28Å; V298-L300 PolarHBondContact O-N 3.15Å; V298-T301 CarbonylContact O-C 3.47Å; V298-T301 PolarHBondContact O-N 2.77Å; V298-T301 VanDerWaalsContact O-N 3.09Å; V298-A302 HydrophobicContact CG1-CB 4.5Å; V298-A302 PolarHBondContact O-N 3.23Å; V298-A302 VanDerWaalsContact O-N 3.13Å; V298-S303 PolarHBondContact O-N 2.69Å; V298-S303 PolarHBondContact O-OG 2.89Å; V298-E312 HydrophobicContact CG1-CG 3.87Å; V298-L315 HydrophobicContact CG1-CB 4.34Å; V298-L315 HydrophobicContact CG1-CD1 3.85Å; V298-L315 HydrophobicContact CG2-CB 3.94Å; V298-L315 HydrophobicContact CG2-CD1 4.23Å; V298-Y316 HydrophobicContact CB-CD1 4.49Å; V298-Y316 HydrophobicContact CB-CE1 3.53Å; V298-Y316 HydrophobicContact CG1-CE1 3.78Å; V298-Y316 HydrophobicContact CG2-CD1 4.09Å; V298-Y316 HydrophobicContact CG2-CE1 3.56Å; V298-L319 HydrophobicContact CG2-CD1 4.12Å
299K93.6Very high93.5Very high53 Ų5338.5 Ų38.523%0.2319%0.189CC..Hα-helixtrans-61.3-32.1177.8-70.5-61.6-166.6-169.10113.7G139 Y295 D297 N304 E312G139-K299 PolarHBondContact O-NZ 3.43Å; Y295-K299 WeakPolarHBondContact O-CG 3.28Å; Y295-K299 PolarHBondContact O-N 2.86Å; Y295-K299 VanDerWaalsContact O-N 3.12Å; D297-K299 PolarHBondContact O-N 3.12Å; K299-N304 PolarHBondContact O-ND2 3.27Å; K299-E312 WeakPolarHBondContact CD-OE1 3.39Å; K299-E312 WeakPolarHBondContact CE-OE1 3.15Å; K299-E312 IonicContact NZ-OE1 2.77Å; K299-E312 PolarHBondContact NZ-OE1 2.8Å; K299-E312 IonicContact NZ-OE2 2.79Å; K299-E312 PolarHBondContact NZ-OE2 3.29Å
300L92.7Very high93.5Very high71 Ų7142.4 Ų42.437%0.37221%0.213SC..Hα-helixtrans-82.3-17.5177.8-72.9-179.5000113.5K296 D297 V298 N304K296-L300 HydrophobicContact CD-CD1 4.28Å; K296-L300 HydrophobicContact CD-CG 4.39Å; K296-L300 HydrophobicContact CG-CD1 3.93Å; K296-L300 HydrophobicContact CG-CG 4.35Å; K296-L300 WeakPolarHBondContact O-CB 3.38Å; K296-L300 VanDerWaalsContact O-CG 3.27Å; K296-L300 WeakPolarHBondContact O-CG 3.43Å; K296-L300 PolarHBondContact O-N 3.22Å; D297-L300 PolarHBondContact O-N 3.45Å; V298-L300 VanDerWaalsContact C-N 3.28Å; V298-L300 PolarHBondContact O-N 3.15Å; L300-N304 PolarHBondContact O-ND2 2.72Å
301T94Very high93.4Very high13 Ų1343.8 Ų43.88%0.0822%0.219CC..THydrogen-bonded Turntrans-120.9-90.4-17156.90000110.7D297 V298 S303 N304 D305 S369D297-T301 WeakPolarHBondContact O-CB 3.14Å; D297-T301 WeakPolarHBondContact O-CG2 3.31Å; D297-T301 PolarHBondContact O-N 2.84Å; D297-T301 PolarHBondContact O-OG1 2.99Å; V298-T301 CarbonylContact O-C 3.47Å; V298-T301 PolarHBondContact O-N 2.77Å; V298-T301 VanDerWaalsContact O-N 3.09Å; T301-S303 VanDerWaalsContact C-N 3.28Å; T301-S303 PolarHBondContact O-N 3.06Å; T301-N304 CarbonylContact O-C 3.51Å; T301-N304 PolarHBondContact O-N 3.29Å; T301-D305 PolarHBondContact O-N 3.14Å; T301-S369 PolarHBondContact OG1-OG 3.02Å
302A91.5Very high93.4Very high0 Ų044.6 Ų44.60%022%0.223CC..G310 helixtrans-56.2-37.4-174.400000113.5V298 N304 D305 Y308 F309 L315 M370V298-A302 HydrophobicContact CG1-CB 4.5Å; V298-A302 PolarHBondContact O-N 3.23Å; V298-A302 VanDerWaalsContact O-N 3.13Å; A302-N304 PolarHBondContact O-N 3.14Å; A302-D305 WeakPolarHBondContact O-CB 3.47Å; A302-D305 PolarHBondContact O-N 3.07Å; A302-D305 VanDerWaalsContact O-N 3.17Å; A302-Y308 CarbonylContact O-C 3.54Å; A302-F309 VanDerWaalsContact O-CA 3.29Å; A302-F309 WeakPolarHBondContact O-CA 3.49Å; A302-F309 PolarHBondContact O-N 3.28Å; A302-F309 VanDerWaalsContact O-N 3.11Å; A302-L315 HydrophobicContact CB-CD1 3.27Å; A302-M370 HydrophobicContact CB-SD 4.43Å
303S88.5Confident93.4Very high28 Ų2845.1 Ų45.120%0.19623%0.225CC..G310 helixtrans-68.4-20.1177.6-54.90000113.7V298 T301 E312V298-S303 PolarHBondContact O-N 2.69Å; V298-S303 PolarHBondContact O-OG 2.89Å; T301-S303 VanDerWaalsContact C-N 3.28Å; T301-S303 PolarHBondContact O-N 3.06Å; S303-E312 PolarHBondContact OG-OE2 2.66Å
304N86Confident93.4Very high116 Ų11647.3 Ų47.362%0.6224%0.235SC*.G310 helixtrans-101.47.7175.9-60.2-41.6000112.4K299 L300 T301 A302K299-N304 PolarHBondContact O-ND2 3.27Å; L300-N304 PolarHBondContact O-ND2 2.72Å; T301-N304 CarbonylContact O-C 3.51Å; T301-N304 PolarHBondContact O-N 3.29Å; A302-N304 PolarHBondContact O-N 3.14Å
305D91.6Very high93.4Very high29 Ų2947 Ų4716%0.15523%0.233CC..SBendtrans-100.4132.3-178.9-173-70.7000109.9T301 A302 Y307 Y308 F309T301-D305 PolarHBondContact O-N 3.14Å; A302-D305 WeakPolarHBondContact O-CB 3.47Å; A302-D305 PolarHBondContact O-N 3.07Å; A302-D305 VanDerWaalsContact O-N 3.17Å; D305-Y307 PolarHBondContact O-N 2.95Å; D305-Y307 VanDerWaalsContact O-N 3.12Å; D305-Y307 WeakPolarHBondContact OD1-CB 3.49Å; D305-Y307 PolarHBondContact OD1-N 2.92Å; D305-Y308 HydrophobicContact CB-CD2 4.01Å; D305-Y308 PolarHBondContact O-N 3.11Å; D305-Y308 VanDerWaalsContact OD1-CD2 3.29Å; D305-Y308 WeakPolarHBondContact OD1-CD2 3.37Å; D305-Y308 PolarHBondContact OD1-N 3.06Å; D305-F309 PolarHBondContact O-N 2.87Å
306D86.7Confident93.5Very high144 Ų14445.6 Ų45.677%0.7723%0.227SC*.THydrogen-bonded Turntrans-60.2-24.7-175.8-65.2-28.6000113.3
307Y89.2Confident93.7Very high106 Ų10643.9 Ų43.942%0.41622%0.22SC..THydrogen-bonded Turntrans-98.5-34-179.6-60.5-75.3000113.2D305D305-Y307 PolarHBondContact O-N 2.95Å; D305-Y307 VanDerWaalsContact O-N 3.12Å; D305-Y307 WeakPolarHBondContact OD1-CB 3.49Å; D305-Y307 PolarHBondContact OD1-N 2.92Å
308Y94.4Very high93.8Very high1 Ų143.4 Ų43.40%0.00422%0.217CC..THydrogen-bonded Turntrans-102.6-7.2-166.4-55.3-53.9000115.4A302 D305 V310 F311 M370 A373 P374 F377 T457A302-Y308 CarbonylContact O-C 3.54Å; D305-Y308 HydrophobicContact CB-CD2 4.01Å; D305-Y308 PolarHBondContact O-N 3.11Å; D305-Y308 VanDerWaalsContact OD1-CD2 3.29Å; D305-Y308 WeakPolarHBondContact OD1-CD2 3.37Å; D305-Y308 PolarHBondContact OD1-N 3.06Å; Y308-V310 PolarHBondContact O-N 2.81Å; Y308-F311 HydrophobicContact CD1-CD2 4.25Å; Y308-F311 HydrophobicContact CD1-CE2 4.46Å; Y308-F311 PolarHBondContact O-N 3.27Å; Y308-M370 HydrophobicContact CD2-CE 3.59Å; Y308-M370 HydrophobicContact CE2-CE 3.59Å; Y308-A373 HydrophobicContact CD1-CB 3.75Å; Y308-A373 HydrophobicContact CD2-CB 3.93Å; Y308-A373 HydrophobicContact CE1-CB 4.19Å; Y308-A373 HydrophobicContact CE2-CB 4.38Å; Y308-A373 HydrophobicContact CG-CB 3.61Å; Y308-P374 HydrophobicContact CE1-CB 4.44Å; Y308-P374 HydrophobicContact CE1-CG 4.29Å; Y308-F377 HydrophobicContact CD1-CD2 4.41Å; Y308-F377 AromaticContact CD1-CE2 3.74Å; Y308-F377 HydrophobicContact CD1-CE2 3.74Å; Y308-F377 HydrophobicContact CE1-CD2 4.08Å; Y308-F377 AromaticContact CE1-CE2 3.59Å; Y308-F377 HydrophobicContact CE1-CE2 3.59Å; Y308-T457 PolarHBondContact OH-OG1 3.21Å
309F92.8Very high93.9Very high119 Ų11943.6 Ų43.652%0.52222%0.218SC..G310 helixtrans-55.7-27.6-176.575.4-86.9000113.8A302 D305 F311A302-F309 VanDerWaalsContact O-CA 3.29Å; A302-F309 WeakPolarHBondContact O-CA 3.49Å; A302-F309 PolarHBondContact O-N 3.28Å; A302-F309 VanDerWaalsContact O-N 3.11Å; D305-F309 PolarHBondContact O-N 2.87Å; F309-F311 VanDerWaalsContact C-N 3.28Å; F309-F311 PolarHBondContact O-N 2.9Å
310V94.3Very high94.1Very high83 Ų8341.1 Ų41.150%0.50321%0.207SC..G310 helixtrans-73.4-13179.2-61.10000114.5Y308Y308-V310 PolarHBondContact O-N 2.81Å
311F96.4Very high94.4Very high30 Ų3037.7 Ų37.713%0.13219%0.19CC..G310 helixtrans-103.414.1-173.2-59.8-59000114.2Y308 F309 D313 F314 L315 C376 F377Y308-F311 HydrophobicContact CD1-CD2 4.25Å; Y308-F311 HydrophobicContact CD1-CE2 4.46Å; Y308-F311 PolarHBondContact O-N 3.27Å; F309-F311 VanDerWaalsContact C-N 3.28Å; F309-F311 PolarHBondContact O-N 2.9Å; F311-D313 VanDerWaalsContact C-N 3.29Å; F311-D313 PolarHBondContact O-N 2.78Å; F311-F314 HydrophobicContact CB-CB 4.47Å; F311-F314 WeakPolarHBondContact O-CB 3.04Å; F311-F314 PolarHBondContact O-N 3.09Å; F311-F314 VanDerWaalsContact O-N 3.08Å; F311-L315 WeakPolarHBondContact O-CG 3.46Å; F311-L315 PolarHBondContact O-N 3.26Å; F311-C376 HydrophobicContact CB-CB 3.88Å; F311-C376 HydrophobicContact CD1-CB 3.42Å; F311-C376 VanDerWaalsContact CD1-CB 3.42Å; F311-C376 HydrophobicContact CD2-CB 3.75Å; F311-C376 HydrophobicContact CE1-CB 3.79Å; F311-C376 HydrophobicContact CE2-CB 4.12Å; F311-C376 HydrophobicContact CG-CB 3.39Å; F311-C376 HydrophobicContact CZ-CB 4.13Å; F311-F377 HydrophobicContact CD2-CE2 4.41Å; F311-F377 HydrophobicContact CE2-CD1 4.16Å; F311-F377 AromaticContact CE2-CD2 3.72Å; F311-F377 HydrophobicContact CE2-CD2 3.72Å; F311-F377 AromaticContact CE2-CE1 3.87Å; F311-F377 HydrophobicContact CE2-CE1 3.87Å; F311-F377 AromaticContact CE2-CE2 3.43Å; F311-F377 HydrophobicContact CE2-CE2 3.43Å; F311-F377 VanDerWaalsContact CE2-CE2 3.43Å; F311-F377 HydrophobicContact CE2-CG 4.1Å; F311-F377 AromaticContact CE2-CZ 3.51Å; F311-F377 HydrophobicContact CE2-CZ 3.51Å; F311-F377 AromaticContact CZ-CD1 3.84Å; F311-F377 HydrophobicContact CZ-CD1 3.84Å; F311-F377 HydrophobicContact CZ-CD2 4.12Å; F311-F377 AromaticContact CZ-CE1 3.79Å; F311-F377 HydrophobicContact CZ-CE1 3.79Å; F311-F377 HydrophobicContact CZ-CE2 4.11Å; F311-F377 HydrophobicContact CZ-CG 4.02Å; F311-F377 AromaticContact CZ-CZ 3.95Å; F311-F377 HydrophobicContact CZ-CZ 3.95Å
312E95.3Very high94.6Very high20 Ų2037.3 Ų37.39%0.09319%0.187CC..Hα-helixtrans-52.8-46-175.2-179.4164.3177.200112.9G139 V298 K299 S303 F314 L315 Y316G139-E312 VanDerWaalsContact CA-CD 3.41Å; G139-E312 WeakPolarHBondContact CA-OE1 3.13Å; V298-E312 HydrophobicContact CG1-CG 3.87Å; K299-E312 WeakPolarHBondContact CD-OE1 3.39Å; K299-E312 WeakPolarHBondContact CE-OE1 3.15Å; K299-E312 IonicContact NZ-OE1 2.77Å; K299-E312 PolarHBondContact NZ-OE1 2.8Å; K299-E312 IonicContact NZ-OE2 2.79Å; K299-E312 PolarHBondContact NZ-OE2 3.29Å; S303-E312 PolarHBondContact OG-OE2 2.66Å; E312-F314 PolarHBondContact O-N 3.32Å; E312-L315 WeakPolarHBondContact O-CB 3.46Å; E312-L315 PolarHBondContact O-N 3.26Å; E312-Y316 HydrophobicContact CG-CD2 4.04Å; E312-Y316 HydrophobicContact CG-CE2 3.3Å; E312-Y316 VanDerWaalsContact O-CD2 3.31Å; E312-Y316 WeakPolarHBondContact O-CD2 3.23Å; E312-Y316 PolarHBondContact O-N 3.39Å; E312-Y316 VanDerWaalsContact O-N 3.16Å; E312-Y316 WeakPolarHBondContact OE1-CE2 3.48Å; E312-Y316 VanDerWaalsContact OE1-CZ 3.24Å; E312-Y316 PolarHBondContact OE1-OH 3.43Å
313D96Very high95Very high40 Ų4037.5 Ų37.521%0.21419%0.188CC..Hα-helixtrans-60.6-45.5177.7-63.6-54.5000112.4E137 M138 G139 F311 L315 Y316 Q317E137-D313 VanDerWaalsContact CA-OD1 3.28Å; E137-D313 WeakPolarHBondContact CA-OD1 3.04Å; M138-D313 PolarHBondContact N-OD1 2.9Å; G139-D313 PolarHBondContact N-OD1 2.98Å; F311-D313 VanDerWaalsContact C-N 3.29Å; F311-D313 PolarHBondContact O-N 2.78Å; D313-L315 VanDerWaalsContact C-N 3.31Å; D313-L315 PolarHBondContact O-N 3.5Å; D313-Y316 PolarHBondContact O-N 2.95Å; D313-Q317 WeakPolarHBondContact O-CB 3.42Å; D313-Q317 WeakPolarHBondContact O-CG 3.41Å; D313-Q317 PolarHBondContact O-N 2.98Å
314F97.4Very high95.4Very high55 Ų5537.2 Ų37.224%0.24118%0.183CC..Hα-helixtrans-61.8-40.2178.6-84.5-108.7000111.6F311 E312 Y316 Q317 V318 N380 P382 L385F311-F314 HydrophobicContact CB-CB 4.47Å; F311-F314 WeakPolarHBondContact O-CB 3.04Å; F311-F314 PolarHBondContact O-N 3.09Å; F311-F314 VanDerWaalsContact O-N 3.08Å; E312-F314 PolarHBondContact O-N 3.32Å; F314-Y316 VanDerWaalsContact C-N 3.35Å; F314-Y316 PolarHBondContact O-N 2.8Å; F314-Q317 PolarHBondContact O-N 2.87Å; F314-V318 WeakPolarHBondContact O-CB 3.39Å; F314-V318 VanDerWaalsContact O-CG2 3.28Å; F314-V318 WeakPolarHBondContact O-CG2 3.41Å; F314-V318 PolarHBondContact O-N 2.97Å; F314-N380 WeakPolarHBondContact CE1-O 3.41Å; F314-N380 VanDerWaalsContact CZ-O 3.3Å; F314-N380 WeakPolarHBondContact CZ-O 3.47Å; F314-P382 HydrophobicContact CE1-CG 4.37Å; F314-L385 HydrophobicContact CB-CD2 4.29Å; F314-L385 HydrophobicContact CD1-CD2 3.69Å
315L98Very high96Very high0 Ų031.8 Ų31.80%015%0.154CC..Hα-helixtrans-61.5-43.9177.3-66.6175.1000111.2V298 A302 F311 E312 D313 V318 L319 V372 A373V298-L315 HydrophobicContact CG1-CB 4.34Å; V298-L315 HydrophobicContact CG1-CD1 3.85Å; V298-L315 HydrophobicContact CG2-CB 3.94Å; V298-L315 HydrophobicContact CG2-CD1 4.23Å; A302-L315 HydrophobicContact CB-CD1 3.27Å; F311-L315 WeakPolarHBondContact O-CG 3.46Å; F311-L315 PolarHBondContact O-N 3.26Å; E312-L315 WeakPolarHBondContact O-CB 3.46Å; E312-L315 PolarHBondContact O-N 3.26Å; D313-L315 VanDerWaalsContact C-N 3.31Å; D313-L315 PolarHBondContact O-N 3.5Å; L315-V318 PolarHBondContact O-N 2.92Å; L315-L319 HydrophobicContact CB-CD1 4.35Å; L315-L319 WeakPolarHBondContact O-CB 3.27Å; L315-L319 WeakPolarHBondContact O-CD1 3.47Å; L315-L319 WeakPolarHBondContact O-CG 3.42Å; L315-L319 PolarHBondContact O-N 3.41Å; L315-V372 HydrophobicContact CD2-CB 3.63Å; L315-V372 HydrophobicContact CD2-CG1 3.76Å; L315-A373 HydrophobicContact CD2-CB 4.06Å
316Y97.9Very high96.2Very high0 Ų034.7 Ų34.70%017%0.173CC..Hα-helixtrans-66.5-45.6176.4-62.4-38.2000112.7M138 I294 Y295 V298 E312 D313 F314 V318 L319 L320M138-Y316 HydrophobicContact CB-CD2 3.69Å; M138-Y316 HydrophobicContact CB-CE2 4.45Å; M138-Y316 HydrophobicContact CB-CG 4.46Å; I294-Y316 HydrophobicContact CG2-CD1 4.22Å; Y295-Y316 AromaticContact CD1-CD1 3.79Å; Y295-Y316 HydrophobicContact CD1-CD1 3.79Å; Y295-Y316 HydrophobicContact CD1-CD2 4.19Å; Y295-Y316 AromaticContact CD1-CE1 3.35Å; Y295-Y316 HydrophobicContact CD1-CE1 3.35Å; Y295-Y316 AromaticContact CD1-CE2 3.73Å; Y295-Y316 HydrophobicContact CD1-CE2 3.73Å; Y295-Y316 HydrophobicContact CD1-CG 4.21Å; Y295-Y316 AromaticContact CD1-CZ 3.32Å; Y295-Y316 AromaticContact CE1-CD1 3.83Å; Y295-Y316 HydrophobicContact CE1-CD1 3.83Å; Y295-Y316 AromaticContact CE1-CD2 3.74Å; Y295-Y316 HydrophobicContact CE1-CD2 3.74Å; Y295-Y316 AromaticContact CE1-CE1 3.83Å; Y295-Y316 HydrophobicContact CE1-CE1 3.83Å; Y295-Y316 AromaticContact CE1-CE2 3.66Å; Y295-Y316 HydrophobicContact CE1-CE2 3.66Å; Y295-Y316 AromaticContact CE1-CG 3.81Å; Y295-Y316 HydrophobicContact CE1-CG 3.81Å; Y295-Y316 AromaticContact CE1-CZ 3.76Å; Y295-Y316 HydrophobicContact CG-CD1 4.49Å; Y295-Y316 HydrophobicContact CG-CE1 4.07Å; V298-Y316 HydrophobicContact CB-CD1 4.49Å; V298-Y316 HydrophobicContact CB-CE1 3.53Å; V298-Y316 HydrophobicContact CG1-CE1 3.78Å; V298-Y316 HydrophobicContact CG2-CD1 4.09Å; V298-Y316 HydrophobicContact CG2-CE1 3.56Å; E312-Y316 HydrophobicContact CG-CD2 4.04Å; E312-Y316 HydrophobicContact CG-CE2 3.3Å; E312-Y316 VanDerWaalsContact O-CD2 3.31Å; E312-Y316 WeakPolarHBondContact O-CD2 3.23Å; E312-Y316 PolarHBondContact O-N 3.39Å; E312-Y316 VanDerWaalsContact O-N 3.16Å; E312-Y316 WeakPolarHBondContact OE1-CE2 3.48Å; E312-Y316 VanDerWaalsContact OE1-CZ 3.24Å; E312-Y316 PolarHBondContact OE1-OH 3.43Å; D313-Y316 PolarHBondContact O-N 2.95Å; F314-Y316 VanDerWaalsContact C-N 3.35Å; F314-Y316 PolarHBondContact O-N 2.8Å; Y316-V318 PolarHBondContact O-N 3.34Å; Y316-L319 PolarHBondContact O-N 3.39Å; Y316-L320 WeakPolarHBondContact O-CB 3.43Å; Y316-L320 WeakPolarHBondContact O-CG 3.42Å; Y316-L320 PolarHBondContact O-N 2.9Å
317Q98.2Very high96.6Very high4 Ų430 Ų302%0.01915%0.154CC..Hα-helixtrans-56.4-37.4178.6-73.7-179.5-6.100112.3W135 N136 M138 Y276 D313 F314 C321 P382W135-Q317 HydrophobicContact CZ2-CB 4.25Å; W135-Q317 HydrophobicContact CZ2-CG 3.99Å; W135-Q317 PolarHBondContact O-NE2 3.45Å; N136-Q317 PolarHBondContact OD1-NE2 2.98Å; M138-Q317 HydrophobicContact CE-CG 3.63Å; Y276-Q317 PolarHBondContact OH-O 3.07Å; D313-Q317 WeakPolarHBondContact O-CB 3.42Å; D313-Q317 WeakPolarHBondContact O-CG 3.41Å; D313-Q317 PolarHBondContact O-N 2.98Å; F314-Q317 PolarHBondContact O-N 2.87Å; Q317-C321 WeakPolarHBondContact O-CB 3.22Å; Q317-C321 PolarHBondContact O-SG 3.02Å; Q317-P382 HydrophobicContact CB-CB 4.45Å
318V98.6Very high96.9Very high0 Ų025 Ų250%013%0.134CC..Hα-helixtrans-82.7-52.7179.1173.90000112.1F314 L315 Y316 C321 F322 V372 L385 Y386 F389F314-V318 WeakPolarHBondContact O-CB 3.39Å; F314-V318 VanDerWaalsContact O-CG2 3.28Å; F314-V318 WeakPolarHBondContact O-CG2 3.41Å; F314-V318 PolarHBondContact O-N 2.97Å; L315-V318 PolarHBondContact O-N 2.92Å; Y316-V318 PolarHBondContact O-N 3.34Å; V318-C321 PolarHBondContact O-N 3.4Å; V318-F322 VanDerWaalsContact O-CB 3.27Å; V318-F322 WeakPolarHBondContact O-CB 3.26Å; V318-F322 PolarHBondContact O-N 3.37Å; V318-V372 HydrophobicContact CB-CG1 4.06Å; V318-V372 HydrophobicContact CG1-CG1 3.83Å; V318-V372 HydrophobicContact CG1-CG2 3.98Å; V318-V372 HydrophobicContact CG2-CG1 4.28Å; V318-L385 HydrophobicContact CG2-CB 4.27Å; V318-L385 HydrophobicContact CG2-CD2 3.54Å; V318-L385 HydrophobicContact CG2-CG 3.64Å; V318-Y386 HydrophobicContact CG1-CD2 4.29Å; V318-F389 HydrophobicContact CG1-CB 4.17Å; V318-F389 HydrophobicContact CG1-CD1 3.54Å; V318-F389 HydrophobicContact CG1-CE1 4.26Å; V318-F389 HydrophobicContact CG1-CG 4.07Å
319L98.6Very high97Very high3 Ų327.2 Ų27.22%0.01615%0.146CC..Hα-helixtrans-71.4-37.2-170.7-67170.2000112.4I294 V298 L315 Y316 F322 S323 F368 V372 F389I294-L319 HydrophobicContact CD1-CB 4.24Å; I294-L319 HydrophobicContact CG1-CB 4.44Å; I294-L319 HydrophobicContact CG2-CB 3.63Å; I294-L319 HydrophobicContact CG2-CD1 3.98Å; I294-L319 HydrophobicContact CG2-CG 4.47Å; V298-L319 HydrophobicContact CG2-CD1 4.12Å; L315-L319 HydrophobicContact CB-CD1 4.35Å; L315-L319 WeakPolarHBondContact O-CB 3.27Å; L315-L319 WeakPolarHBondContact O-CD1 3.47Å; L315-L319 WeakPolarHBondContact O-CG 3.42Å; L315-L319 PolarHBondContact O-N 3.41Å; Y316-L319 PolarHBondContact O-N 3.39Å; L319-F322 PolarHBondContact O-N 3.14Å; L319-S323 PolarHBondContact O-N 3.06Å; L319-F368 HydrophobicContact CD2-CD1 3.77Å; L319-F368 HydrophobicContact CD2-CE1 3.67Å; L319-V372 HydrophobicContact CD2-CG2 3.56Å; L319-V372 HydrophobicContact CG-CG2 4.06Å; L319-F389 HydrophobicContact CD2-CE1 4.09Å; L319-F389 HydrophobicContact CD2-CZ 4.12Å
320L98.4Very high96.8Very high1 Ų124.7 Ų24.71%0.00514%0.136CC..Hα-helixtrans-64.9-48.1175-63.2175000109.8M138 V283 D291 I294 Y295 Y316 F322 S323 R324M138-L320 HydrophobicContact SD-CD1 4.11Å; V283-L320 HydrophobicContact CB-CB 4.48Å; V283-L320 HydrophobicContact CG1-CB 3.76Å; V283-L320 HydrophobicContact CG1-CD1 3.91Å; V283-L320 HydrophobicContact CG1-CG 4.41Å; V283-L320 HydrophobicContact CG2-CB 3.77Å; D291-L320 HydrophobicContact CB-CD2 3.85Å; I294-L320 HydrophobicContact CB-CD2 4.4Å; I294-L320 HydrophobicContact CD1-CD2 4.1Å; I294-L320 HydrophobicContact CG2-CD2 4.28Å; Y295-L320 HydrophobicContact CE2-CD1 4.31Å; Y295-L320 HydrophobicContact CE2-CD2 4.44Å; Y316-L320 WeakPolarHBondContact O-CB 3.43Å; Y316-L320 WeakPolarHBondContact O-CG 3.42Å; Y316-L320 PolarHBondContact O-N 2.9Å; L320-F322 VanDerWaalsContact C-N 3.31Å; L320-F322 PolarHBondContact O-N 3.34Å; L320-S323 PolarHBondContact O-N 3.07Å; L320-S323 PolarHBondContact O-OG 2.82Å; L320-R324 WeakPolarHBondContact O-CD 3.4Å; L320-R324 PolarHBondContact O-NH1 3.14Å
321C98.6Very high96.6Very high0 Ų020.8 Ų20.80%011%0.112CC..Hα-helixtrans-59.4-41.6174.8-70.30000111.9Y276 L279 Q317 V318 S323 R324 D325 Y386Y276-C321 HydrophobicContact CD2-CB 4.47Å; Y276-C321 HydrophobicContact CE2-CB 4.1Å; L279-C321 HydrophobicContact CB-CB 3.89Å; L279-C321 HydrophobicContact CD1-CB 4.32Å; Q317-C321 WeakPolarHBondContact O-CB 3.22Å; Q317-C321 PolarHBondContact O-SG 3.02Å; V318-C321 PolarHBondContact O-N 3.4Å; C321-S323 VanDerWaalsContact C-N 3.33Å; C321-S323 PolarHBondContact O-N 2.95Å; C321-R324 PolarHBondContact O-N 2.91Å; C321-D325 PolarHBondContact O-N 3.22Å; C321-Y386 HydrophobicContact CB-CD2 4.31Å; C321-Y386 HydrophobicContact CB-CE2 4.34Å
322F98.7Very high96.4Very high4 Ų420.2 Ų20.22%0.01811%0.11CC..Hα-helixtrans-57.5-42.4177.2179.8-100.8000113V318 L319 L320 R324 D325 V328 N360 V362 F368 Y386 F389 Y393V318-F322 VanDerWaalsContact O-CB 3.27Å; V318-F322 WeakPolarHBondContact O-CB 3.26Å; V318-F322 PolarHBondContact O-N 3.37Å; L319-F322 PolarHBondContact O-N 3.14Å; L320-F322 VanDerWaalsContact C-N 3.31Å; L320-F322 PolarHBondContact O-N 3.34Å; F322-R324 PolarHBondContact O-N 2.73Å; F322-R324 VanDerWaalsContact O-N 3.15Å; F322-D325 PolarHBondContact O-N 2.63Å; F322-V328 HydrophobicContact CD2-CG2 4Å; F322-V328 HydrophobicContact CE2-CB 4.47Å; F322-V328 HydrophobicContact CE2-CG1 4.02Å; F322-V328 HydrophobicContact CE2-CG2 3.56Å; F322-V328 HydrophobicContact CZ-CG1 3.84Å; F322-V328 HydrophobicContact CZ-CG2 4.17Å; F322-N360 WeakPolarHBondContact CD1-ND2 3.48Å; F322-N360 WeakPolarHBondContact CE1-ND2 3.23Å; F322-N360 WeakPolarHBondContact O-CB 3.49Å; F322-N360 PolarHBondContact O-ND2 3.34Å; F322-V362 HydrophobicContact CE1-CB 4.17Å; F322-V362 HydrophobicContact CE1-CG1 4.31Å; F322-V362 HydrophobicContact CE1-CG2 4.22Å; F322-V362 HydrophobicContact CZ-CG2 4.31Å; F322-F368 HydrophobicContact CD1-CE1 4.23Å; F322-F368 HydrophobicContact CD1-CZ 4.27Å; F322-F368 HydrophobicContact CE1-CE1 4.17Å; F322-F368 AromaticContact CE1-CZ 3.75Å; F322-F368 HydrophobicContact CE1-CZ 3.75Å; F322-Y386 HydrophobicContact CB-CE2 3.97Å; F322-Y386 HydrophobicContact CD2-CE2 4.33Å; F322-F389 HydrophobicContact CB-CD1 4.5Å; F322-F389 HydrophobicContact CB-CE1 4.01Å; F322-F389 HydrophobicContact CD1-CE1 4Å; F322-F389 HydrophobicContact CD2-CD1 4.01Å; F322-F389 AromaticContact CD2-CE1 3.57Å; F322-F389 HydrophobicContact CD2-CE1 3.57Å; F322-F389 HydrophobicContact CE1-CE1 4.39Å; F322-F389 AromaticContact CE2-CE1 3.99Å; F322-F389 HydrophobicContact CE2-CE1 3.99Å; F322-F389 HydrophobicContact CG-CD1 4.3Å; F322-F389 AromaticContact CG-CE1 3.58Å; F322-F389 HydrophobicContact CG-CE1 3.58Å; F322-F389 HydrophobicContact CZ-CE1 4.39Å; F322-Y393 HydrophobicContact CE2-CD1 4.01Å; F322-Y393 HydrophobicContact CE2-CG 4.14Å; F322-Y393 AromaticContact CZ-CD1 3.48Å; F322-Y393 HydrophobicContact CZ-CD1 3.48Å; F322-Y393 VanDerWaalsContact CZ-CD1 3.48Å; F322-Y393 HydrophobicContact CZ-CD2 4.19Å; F322-Y393 AromaticContact CZ-CE1 3.72Å; F322-Y393 HydrophobicContact CZ-CE1 3.72Å; F322-Y393 HydrophobicContact CZ-CE2 4.42Å; F322-Y393 AromaticContact CZ-CG 3.71Å; F322-Y393 HydrophobicContact CZ-CG 3.71Å
323S98.4Very high96Very high4 Ų425.3 Ų25.33%0.02813%0.131CC..Hα-helixtrans-63-18.2176.966.20000114.5L319 L320 C321 P359 N360L319-S323 PolarHBondContact O-N 3.06Å; L320-S323 PolarHBondContact O-N 3.07Å; L320-S323 PolarHBondContact O-OG 2.82Å; C321-S323 VanDerWaalsContact C-N 3.33Å; C321-S323 PolarHBondContact O-N 2.95Å; S323-P359 WeakPolarHBondContact O-CD 3.24Å; S323-N360 WeakPolarHBondContact CA-ND2 3.5Å; S323-N360 PolarHBondContact O-N 3.36Å
324R98.1Very high95.4Very high23 Ų2324.3 Ų24.39%0.08713%0.125CC..Hα-helixtrans-94.5-17.4178.3-78.974175.1170.41.1113.6L279 H286 D291 L320 C321 F322 T326L279-R324 HydrophobicContact CD2-CB 3.98Å; H286-R324 PolarHBondContact O-NH2 3.15Å; D291-R324 IonicContact OD1-CZ 2.93Å; D291-R324 IonicContact OD1-NH1 3.86Å; D291-R324 PolarHBondContact OD1-NH1 3.29Å; D291-R324 IonicContact OD1-NH2 3.82Å; D291-R324 PolarHBondContact OD1-NH2 2.66Å; D291-R324 IonicContact OD2-CZ 2.74Å; D291-R324 IonicContact OD2-NH1 3.25Å; D291-R324 IonicContact OD2-NH2 2.96Å; D291-R324 PolarHBondContact OD2-NH2 3.49Å; L320-R324 WeakPolarHBondContact O-CD 3.4Å; L320-R324 PolarHBondContact O-NH1 3.14Å; C321-R324 PolarHBondContact O-N 2.91Å; F322-R324 PolarHBondContact O-N 2.73Å; F322-R324 VanDerWaalsContact O-N 3.15Å; R324-T326 PolarHBondContact O-N 2.81Å; R324-T326 VanDerWaalsContact O-N 3.15Å
325D98.1Very high95Very high1 Ų121.9 Ų21.91%0.00511%0.114CC..  trans-79.2105.1-171-169.75.1000112.4H275 L279 C321 F322 A327 V328 N360 Y386 R390H275-D325 IonicContact CE1-OD1 3.68Å; H275-D325 PolarHBondContact CE1-OD1 3.03Å; H275-D325 IonicContact CE1-OD2 2.66Å; H275-D325 VanDerWaalsContact NE2-CG 3.3Å; H275-D325 IonicContact NE2-OD1 3.09Å; H275-D325 PolarHBondContact NE2-OD1 2.96Å; H275-D325 IonicContact NE2-OD2 3.4Å; H275-D325 PolarHBondContact NE2-OD2 3.19Å; L279-D325 HydrophobicContact CD1-CB 3.88Å; L279-D325 HydrophobicContact CD2-CB 3.77Å; L279-D325 HydrophobicContact CG-CB 4.5Å; C321-D325 PolarHBondContact O-N 3.22Å; F322-D325 PolarHBondContact O-N 2.63Å; D325-A327 PolarHBondContact O-N 2.89Å; D325-A327 WeakPolarHBondContact OD1-CB 3.19Å; D325-A327 PolarHBondContact OD1-N 2.98Å; D325-V328 HydrophobicContact CB-CG2 4.05Å; D325-V328 WeakPolarHBondContact O-CB 3.37Å; D325-V328 WeakPolarHBondContact O-CG2 3.11Å; D325-V328 PolarHBondContact O-N 3.13Å; D325-N360 WeakPolarHBondContact O-CA 3.22Å; D325-N360 VanDerWaalsContact O-CB 3.25Å; D325-N360 WeakPolarHBondContact O-CB 3.4Å; D325-Y386 WeakPolarHBondContact CB-OH 3.44Å; D325-Y386 PolarHBondContact OD2-OH 3.27Å; D325-R390 WeakPolarHBondContact OD2-CD 3.35Å; D325-R390 IonicContact OD2-NH1 3.82Å; D325-R390 PolarHBondContact OD2-NH1 3.01Å
326T97Very high94.6Very high90 Ų9022.4 Ų22.455%0.55212%0.118SC*.G310 helixtrans-66.5-18.4174.761.10000113.4R324 V328 L329 P359R324-T326 PolarHBondContact O-N 2.81Å; R324-T326 VanDerWaalsContact O-N 3.15Å; T326-V328 PolarHBondContact O-N 3.09Å; T326-L329 WeakPolarHBondContact O-CB 3.28Å; T326-L329 VanDerWaalsContact O-CG 3.26Å; T326-L329 WeakPolarHBondContact O-CG 3.38Å; T326-L329 PolarHBondContact O-N 3.35Å; T326-P359 HydrophobicContact CG2-CB 4.16Å
327A93.8Very high94.4Very high46 Ų4622.6 Ų22.638%0.3812%0.12SC..G310 helixtrans-63.3-26.6174.100000111.9D325 L329 E330D325-A327 PolarHBondContact O-N 2.89Å; D325-A327 WeakPolarHBondContact OD1-CB 3.19Å; D325-A327 PolarHBondContact OD1-N 2.98Å; A327-L329 PolarHBondContact O-N 2.91Å; A327-E330 WeakPolarHBondContact O-CB 3.35Å; A327-E330 PolarHBondContact O-N 3.19Å
328V96.4Very high94.1Very high0 Ų025.6 Ų25.60%014%0.139CC..G310 helixtrans-60.7-26.2174.4177.80000111.5F322 D325 T326 E330 H331 N360 V362 R390 Y393 I394F322-V328 HydrophobicContact CD2-CG2 4Å; F322-V328 HydrophobicContact CE2-CB 4.47Å; F322-V328 HydrophobicContact CE2-CG1 4.02Å; F322-V328 HydrophobicContact CE2-CG2 3.56Å; F322-V328 HydrophobicContact CZ-CG1 3.84Å; F322-V328 HydrophobicContact CZ-CG2 4.17Å; D325-V328 HydrophobicContact CB-CG2 4.05Å; D325-V328 WeakPolarHBondContact O-CB 3.37Å; D325-V328 WeakPolarHBondContact O-CG2 3.11Å; D325-V328 PolarHBondContact O-N 3.13Å; T326-V328 PolarHBondContact O-N 3.09Å; V328-E330 PolarHBondContact O-N 3.36Å; V328-H331 PolarHBondContact O-N 2.91Å; V328-H331 PolarHBondContact O-ND1 3.42Å; V328-N360 HydrophobicContact CB-CB 3.93Å; V328-N360 HydrophobicContact CG1-CB 4.21Å; V328-N360 HydrophobicContact CG2-CB 4.23Å; V328-V362 HydrophobicContact CG1-CG2 4.19Å; V328-R390 HydrophobicContact CG2-CG 4.14Å; V328-Y393 HydrophobicContact CG1-CD1 4.42Å; V328-Y393 HydrophobicContact CG1-CE1 4.36Å; V328-I394 HydrophobicContact CG1-CG2 4.16Å
329L95.1Very high93.9Very high48 Ų4827 Ų2725%0.25115%0.147SC..G310 helixtrans-60.2-21-179.9-62.4174.4000113.2T326 A327 H331 F332 P339 V356 N360T326-L329 WeakPolarHBondContact O-CB 3.28Å; T326-L329 VanDerWaalsContact O-CG 3.26Å; T326-L329 WeakPolarHBondContact O-CG 3.38Å; T326-L329 PolarHBondContact O-N 3.35Å; A327-L329 PolarHBondContact O-N 2.91Å; L329-H331 PolarHBondContact O-N 3.37Å; L329-F332 HydrophobicContact CD2-CD2 4.11Å; L329-F332 HydrophobicContact CD2-CE2 4.08Å; L329-F332 WeakPolarHBondContact O-CB 3.4Å; L329-F332 PolarHBondContact O-N 3.34Å; L329-F332 VanDerWaalsContact O-N 3.12Å; L329-P339 HydrophobicContact CD2-CB 3.91Å; L329-V356 HydrophobicContact CD2-CG1 3.73Å; L329-N360 VanDerWaalsContact CD2-C 3.45Å; L329-N360 WeakPolarHBondContact CD2-O 3.31Å
330E89.8Confident93.6Very high67 Ų6728 Ų2831%0.31315%0.154SC..G310 helixtrans-57.3-33.6178.3-174.9165.3-160.500112.6R17 A327 V328 F332 K333R17-E330 IonicContact CZ-OE1 3.78Å; R17-E330 IonicContact NH1-OE1 3.19Å; R17-E330 IonicContact NH2-OE1 3.81Å; R17-E330 PolarHBondContact NH2-OE1 3.14Å; A327-E330 WeakPolarHBondContact O-CB 3.35Å; A327-E330 PolarHBondContact O-N 3.19Å; V328-E330 PolarHBondContact O-N 3.36Å; E330-F332 PolarHBondContact O-N 3.09Å; E330-K333 HydrophobicContact CG-CD 4.13Å; E330-K333 VanDerWaalsContact O-CB 3.28Å; E330-K333 WeakPolarHBondContact O-CB 3.31Å; E330-K333 WeakPolarHBondContact O-CG 3.47Å; E330-K333 PolarHBondContact O-N 3Å; E330-K333 IonicContact OE1-NZ 3.48Å
331H90.9Very high93.3Very high1 Ų133.1 Ų33.11%0.00518%0.176CC..G310 helixtrans-64.6-24.1-178.990.1-81.5000113.1V328 L329 K333 Y334 N335 I394 F398V328-H331 PolarHBondContact O-N 2.91Å; V328-H331 PolarHBondContact O-ND1 3.42Å; L329-H331 PolarHBondContact O-N 3.37Å; H331-K333 PolarHBondContact O-N 3.06Å; H331-K333 VanDerWaalsContact O-N 3.16Å; H331-Y334 VanDerWaalsContact CA-CZ 3.46Å; H331-Y334 HydrophobicContact CB-CE1 4.36Å; H331-Y334 HydrophobicContact CB-CE2 4.09Å; H331-Y334 WeakPolarHBondContact CB-OH 3.47Å; H331-Y334 PolarHBondContact O-N 3.02Å; H331-Y334 VanDerWaalsContact O-N 3.14Å; H331-N335 PolarHBondContact CD2-ND2 3.04Å; H331-N335 PolarHBondContact NE2-ND2 3.42Å; H331-N335 VanDerWaalsContact NE2-ND2 3.19Å; H331-N335 VanDerWaalsContact O-CB 3.25Å; H331-N335 WeakPolarHBondContact O-CB 3.33Å; H331-N335 PolarHBondContact O-N 3.33Å; H331-I394 HydrophobicContact CB-CB 3.82Å; H331-I394 HydrophobicContact CB-CG2 4Å; H331-F398 AromaticContact CD2-CD2 3.81Å; H331-F398 AromaticContact CD2-CG 3.61Å
332F91.8Very high92.6Very high18 Ų1833.8 Ų33.88%0.07918%0.181CC..G310 helixtrans-68.2-8.8174.9-68.8-70.4000114K87 L329 E330 Y334 N335 A337 P339 G361K87-F332 WeakPolarHBondContact CE-O 3.33Å; K87-F332 PolarHBondContact NZ-O 3.16Å; K87-F332 VanDerWaalsContact NZ-O 3.08Å; L329-F332 HydrophobicContact CD2-CD2 4.11Å; L329-F332 HydrophobicContact CD2-CE2 4.08Å; L329-F332 WeakPolarHBondContact O-CB 3.4Å; L329-F332 PolarHBondContact O-N 3.34Å; L329-F332 VanDerWaalsContact O-N 3.12Å; E330-F332 PolarHBondContact O-N 3.09Å; F332-Y334 VanDerWaalsContact C-N 3.29Å; F332-N335 HydrophobicContact CD1-CB 4.47Å; F332-A337 HydrophobicContact CD1-CB 4.02Å; F332-A337 WeakPolarHBondContact CD1-O 3.45Å; F332-A337 HydrophobicContact CE1-CB 3.76Å; F332-P339 HydrophobicContact CD2-CB 3.89Å; F332-P339 HydrophobicContact CD2-CG 4.15Å; F332-P339 HydrophobicContact CE2-CB 3.81Å; F332-P339 HydrophobicContact CG-CB 4.42Å; F332-P339 HydrophobicContact CG-CG 4.35Å; F332-P339 HydrophobicContact CZ-CB 4.25Å; F332-G361 VanDerWaalsContact CZ-O 3.27Å; F332-G361 WeakPolarHBondContact CZ-O 3.44Å
333K85.7Confident91.7Very high126 Ų12637.5 Ų37.555%0.54820%0.196SC..G310 helixtrans-70.4-27.4171.3-64.9177.9-173.9169.20112.4K87 E330 H331K87-K333 WeakPolarHBondContact CG-O 3.41Å; E330-K333 HydrophobicContact CG-CD 4.13Å; E330-K333 VanDerWaalsContact O-CB 3.28Å; E330-K333 WeakPolarHBondContact O-CB 3.31Å; E330-K333 WeakPolarHBondContact O-CG 3.47Å; E330-K333 PolarHBondContact O-N 3Å; E330-K333 IonicContact OE1-NZ 3.48Å; H331-K333 PolarHBondContact O-N 3.06Å; H331-K333 VanDerWaalsContact O-N 3.16Å
334Y83.4Confident90.6Very high20 Ų2041.8 Ų41.88%0.07822%0.218CC..THydrogen-bonded Turntrans-128.78.5-176.855.9-97.6000113.5I72 H331 F332 I394 F398I72-Y334 HydrophobicContact CG2-CD1 3.91Å; I72-Y334 HydrophobicContact CG2-CE1 3.41Å; I72-Y334 VanDerWaalsContact CG2-CE1 3.41Å; H331-Y334 VanDerWaalsContact CA-CZ 3.46Å; H331-Y334 HydrophobicContact CB-CE1 4.36Å; H331-Y334 HydrophobicContact CB-CE2 4.09Å; H331-Y334 WeakPolarHBondContact CB-OH 3.47Å; H331-Y334 PolarHBondContact O-N 3.02Å; H331-Y334 VanDerWaalsContact O-N 3.14Å; F332-Y334 VanDerWaalsContact C-N 3.29Å; Y334-I394 WeakPolarHBondContact CE2-O 3.31Å; Y334-I394 PolarHBondContact OH-O 3.38Å; Y334-F398 HydrophobicContact CD2-CE1 4.44Å; Y334-F398 HydrophobicContact CD2-CZ 4.01Å; Y334-F398 AromaticContact CE2-CE1 3.86Å; Y334-F398 HydrophobicContact CE2-CE1 3.86Å; Y334-F398 AromaticContact CE2-CZ 3.89Å; Y334-F398 HydrophobicContact CE2-CZ 3.89Å
335N88.6Confident89.1Confident3 Ų350.1 Ų50.12%0.01626%0.257CS..SBendtrans-96.4141.6168.9-177.2-5.4000109.1K87 H331 F332 A337 F398 S402K87-N335 WeakPolarHBondContact CE-O 3.28Å; H331-N335 PolarHBondContact CD2-ND2 3.04Å; H331-N335 PolarHBondContact NE2-ND2 3.42Å; H331-N335 VanDerWaalsContact NE2-ND2 3.19Å; H331-N335 VanDerWaalsContact O-CB 3.25Å; H331-N335 WeakPolarHBondContact O-CB 3.33Å; H331-N335 PolarHBondContact O-N 3.33Å; F332-N335 HydrophobicContact CD1-CB 4.47Å; N335-A337 WeakPolarHBondContact ND2-CB 3.19Å; N335-A337 PolarHBondContact O-N 3.49Å; N335-A337 WeakPolarHBondContact OD1-CB 3.47Å; N335-A337 PolarHBondContact OD1-N 2.95Å; N335-F398 HydrophobicContact CB-CD2 3.85Å; N335-F398 HydrophobicContact CB-CE2 3.52Å; N335-F398 HydrophobicContact CB-CZ 4.36Å; N335-F398 VanDerWaalsContact CG-CE2 3.43Å; N335-F398 WeakPolarHBondContact ND2-CD2 3.43Å; N335-S402 PolarHBondContact ND2-OG 2.73Å; N335-S402 WeakPolarHBondContact OD1-CB 3.21Å; N335-S402 PolarHBondContact OD1-OG 3.33Å
336S90.7Very high87.4Confident11 Ų1153.6 Ų53.68%0.07729%0.293CS..SBendtrans-59.1-26.3170.4-176.20000112.6E88 I403E88-S336 WeakPolarHBondContact CB-OG 3.4Å; S336-I403 WeakPolarHBondContact CB-O 3.37Å; S336-I403 PolarHBondContact OG-O 3.5Å
337A93.6Very high86.1Confident5 Ų553.3 Ų53.34%0.04129%0.285CS..  trans-70.4162-179.500000113.1K87 Q97 E101 F332 N335K87-A337 WeakPolarHBondContact CE-O 3.4Å; K87-A337 PolarHBondContact NZ-O 2.95Å; Q97-A337 HydrophobicContact CG-CB 4.29Å; E101-A337 WeakPolarHBondContact OE1-CA 3.41Å; E101-A337 WeakPolarHBondContact OE1-CB 3.33Å; F332-A337 HydrophobicContact CD1-CB 4.02Å; F332-A337 WeakPolarHBondContact CD1-O 3.45Å; F332-A337 HydrophobicContact CE1-CB 3.76Å; N335-A337 WeakPolarHBondContact ND2-CB 3.19Å; N335-A337 PolarHBondContact O-N 3.49Å; N335-A337 WeakPolarHBondContact OD1-CB 3.47Å; N335-A337 PolarHBondContact OD1-N 2.95Å
338T92.8Very high84.9Confident67 Ų6757.2 Ų57.241%0.41130%0.303SS..  trans-125.1140.3174.5-59.80000109.5K87 E101K87-T338 PolarHBondContact NZ-OG1 3.05Å; E101-T338 PolarHBondContact OE1-N 3.34Å
339P93.8Very high83.5Confident28 Ų2859.9 Ų59.918%0.18233%0.331CS..  trans-61.8130.4-178.323.1-32.7000110.8L329 F332 K341 V356L329-P339 HydrophobicContact CD2-CB 3.91Å; F332-P339 HydrophobicContact CD2-CB 3.89Å; F332-P339 HydrophobicContact CD2-CG 4.15Å; F332-P339 HydrophobicContact CE2-CB 3.81Å; F332-P339 HydrophobicContact CG-CB 4.42Å; F332-P339 HydrophobicContact CG-CG 4.35Å; F332-P339 HydrophobicContact CZ-CB 4.25Å; P339-K341 PolarHBondContact O-N 3.48Å; P339-V356 HydrophobicContact CB-CG1 3.75Å; P339-V356 HydrophobicContact CB-CG2 4.19Å; P339-V356 HydrophobicContact CG-CG2 4.38Å
340P92.6Very high82.6Confident24 Ų2460.9 Ų60.916%0.15634%0.336CS..  trans-61.1134177.623-30.7000110.7L105 V356 Y357 G361 I363L105-P340 HydrophobicContact CD1-CB 4.39Å; P340-V356 WeakPolarHBondContact O-CA 3.46Å; P340-Y357 WeakPolarHBondContact CG-O 3.41Å; P340-Y357 PolarHBondContact O-N 3.02Å; P340-G361 WeakPolarHBondContact CD-O 3.33Å; P340-I363 HydrophobicContact CB-CD1 4.04Å; P340-I363 HydrophobicContact CG-CD1 3.88Å; P340-I363 HydrophobicContact CG-CG1 4.16Å
341K90.9Very high81.9Confident109 Ų10965.3 Ų65.347%0.47436%0.357SS..EExtended strand (participates in β ladder)trans-106.4138.8176.3-61.6-176.6-176.9-178.80110.3L105 P339 A354 V355L105-K341 WeakPolarHBondContact CD2-O 3.45Å; P339-K341 PolarHBondContact O-N 3.48Å; K341-A354 HydrophobicContact CB-CB 4.34Å; K341-A354 HydrophobicContact CD-CB 4.05Å; K341-V355 CarbonylContact C-O 3.56Å; K341-V355 WeakPolarHBondContact CA-O 3.17Å
342S84.9Confident81.2Confident15 Ų1573.2 Ų73.211%0.10539%0.394CS..EExtended strand (participates in β ladder)trans-118.6159168.3-177.60000109.7L119 A354 V355L119-S342 WeakPolarHBondContact CD1-OG 3.23Å; S342-A354 CarbonylContact O-C 3.58Å; S342-A354 WeakPolarHBondContact O-CA 3.14Å; S342-V355 PolarHBondContact N-O 3.29Å; S342-V355 WeakPolarHBondContact O-CG2 3.47Å; S342-V355 PolarHBondContact O-N 3.17Å; S342-V355 VanDerWaalsContact O-O 3.14Å
343Y80.3Confident80.5Confident81 Ų8175.9 Ų75.932%0.31840%0.404SS..EExtended strand (participates in β ladder)trans-104.3146.2179.5-61.8-91.8000110.7K347 D350 A354Y343-K347 WeakPolarHBondContact CD1-O 3.28Å; Y343-D350 WeakPolarHBondContact CD1-O 3.48Å; Y343-D350 VanDerWaalsContact CE1-O 3.28Å; Y343-D350 WeakPolarHBondContact CE1-O 3.33Å; Y343-A354 HydrophobicContact CD1-CB 4.21Å; Y343-A354 HydrophobicContact CE1-CB 3.86Å
344L74.8Confident80.4Confident94 Ų9471.1 Ų71.149%0.49239%0.388SS..  trans-64.2150169.7-67170.2000110.6G346 K347 Y353 V355L344-G346 PolarHBondContact O-N 3.03Å; L344-K347 PolarHBondContact O-N 3.18Å; L344-K347 VanDerWaalsContact O-N 3.08Å; L344-Y353 HydrophobicContact CD1-CD1 4.16Å; L344-Y353 PolarHBondContact N-O 3.43Å; L344-V355 HydrophobicContact CD2-CG2 4.48Å
345H66.3Low80.8Confident198 Ų19873.4 Ų73.492%0.91740%0.404SS*.THydrogen-bonded Turntrans-52.9128.8-168.8-159.375.2000112.4K347H345-K347 VanDerWaalsContact C-N 3.32Å; H345-K347 PolarHBondContact O-N 3.17Å
346G62Low81Confident74 Ų7475.5 Ų75.576%0.76342%0.417SS*.THydrogen-bonded Turntrans79.40.6178.800000116.2L344L344-G346 PolarHBondContact O-N 3.03Å
347K69.9Low81.2Confident85 Ų8575.6 Ų75.637%0.3742%0.416SS..  trans-120.142.4-178.3-58.9-168.3178.3-175.30112.9Y343 L344 H345 G349 D350 Y353Y343-K347 WeakPolarHBondContact CD1-O 3.28Å; L344-K347 PolarHBondContact O-N 3.18Å; L344-K347 VanDerWaalsContact O-N 3.08Å; H345-K347 VanDerWaalsContact C-N 3.32Å; H345-K347 PolarHBondContact O-N 3.17Å; K347-G349 PolarHBondContact O-N 3.13Å; K347-D350 PolarHBondContact O-N 2.69Å; K347-Y353 HydrophobicContact CB-CD2 4.16Å; K347-Y353 HydrophobicContact CB-CG 4.08Å; K347-Y353 HydrophobicContact CD-CD1 3.49Å; K347-Y353 VanDerWaalsContact CD-CD1 3.49Å; K347-Y353 HydrophobicContact CD-CD2 3.46Å; K347-Y353 VanDerWaalsContact CD-CD2 3.46Å; K347-Y353 HydrophobicContact CD-CE1 3.61Å; K347-Y353 HydrophobicContact CD-CE2 3.59Å; K347-Y353 HydrophobicContact CD-CG 3.4Å; K347-Y353 VanDerWaalsContact CD-CG 3.4Å; K347-Y353 HydrophobicContact CG-CD2 4.43Å; K347-Y353 HydrophobicContact CG-CG 4.38Å; K347-Y353 PolarHBondContact NZ-OH 3.49Å
348V68.9Low81.4Confident127 Ų12775.3 Ų75.377%0.7741%0.414SS*.THydrogen-bonded Turntrans-66.6124.3-178.8-179.20000109.8
349G67.6Low81.6Confident57 Ų5773.9 Ų73.959%0.58841%0.406SS*.THydrogen-bonded Turntrans93.2-0.4176.600000115K347K347-G349 PolarHBondContact O-N 3.13Å
350D75.4Confident81.8Confident68 Ų6872.6 Ų72.636%0.36440%0.397SS..  trans-94.3110.7172.4-170.4-17.1000110Y343 K347 E352 Y353Y343-D350 WeakPolarHBondContact CD1-O 3.48Å; Y343-D350 VanDerWaalsContact CE1-O 3.28Å; Y343-D350 WeakPolarHBondContact CE1-O 3.33Å; K347-D350 PolarHBondContact O-N 2.69Å; D350-E352 PolarHBondContact O-N 3.44Å; D350-E352 PolarHBondContact OD1-N 2.97Å; D350-Y353 HydrophobicContact CB-CD2 3.9Å; D350-Y353 VanDerWaalsContact CG-CD2 3.46Å; D350-Y353 PolarHBondContact O-N 2.87Å; D350-Y353 VanDerWaalsContact OD2-CD2 3.29Å; D350-Y353 WeakPolarHBondContact OD2-CD2 3.41Å; D350-Y353 VanDerWaalsContact OD2-CE2 3.24Å; D350-Y353 WeakPolarHBondContact OD2-CE2 3.43Å
351E76Confident82Confident161 Ų16171.7 Ų71.775%0.75239%0.392SS*.G310 helixtrans-61.3-26.2-175.4-68-160.715700113Y353 A354E351-Y353 PolarHBondContact O-N 3.5Å; E351-A354 WeakPolarHBondContact O-CB 3.4Å; E351-A354 PolarHBondContact O-N 2.92Å
352E74.9Confident82.3Confident166 Ų16667 Ų6778%0.77637%0.372SS*.G310 helixtrans-65-22.5176.8-66.8-169.6166.300112.5D350D350-E352 PolarHBondContact O-N 3.44Å; D350-E352 PolarHBondContact OD1-N 2.97Å
353Y77.6Confident82.8Confident74 Ų7467 Ų6729%0.2937%0.371SS..G310 helixtrans-108.512.9-179.1-59.8-83.7000113.2L344 K347 D350 E351L344-Y353 HydrophobicContact CD1-CD1 4.16Å; L344-Y353 PolarHBondContact N-O 3.43Å; K347-Y353 HydrophobicContact CB-CD2 4.16Å; K347-Y353 HydrophobicContact CB-CG 4.08Å; K347-Y353 HydrophobicContact CD-CD1 3.49Å; K347-Y353 VanDerWaalsContact CD-CD1 3.49Å; K347-Y353 HydrophobicContact CD-CD2 3.46Å; K347-Y353 VanDerWaalsContact CD-CD2 3.46Å; K347-Y353 HydrophobicContact CD-CE1 3.61Å; K347-Y353 HydrophobicContact CD-CE2 3.59Å; K347-Y353 HydrophobicContact CD-CG 3.4Å; K347-Y353 VanDerWaalsContact CD-CG 3.4Å; K347-Y353 HydrophobicContact CG-CD2 4.43Å; K347-Y353 HydrophobicContact CG-CG 4.38Å; K347-Y353 PolarHBondContact NZ-OH 3.49Å; D350-Y353 HydrophobicContact CB-CD2 3.9Å; D350-Y353 VanDerWaalsContact CG-CD2 3.46Å; D350-Y353 PolarHBondContact O-N 2.87Å; D350-Y353 VanDerWaalsContact OD2-CD2 3.29Å; D350-Y353 WeakPolarHBondContact OD2-CD2 3.41Å; D350-Y353 VanDerWaalsContact OD2-CE2 3.24Å; D350-Y353 WeakPolarHBondContact OD2-CE2 3.43Å; E351-Y353 PolarHBondContact O-N 3.5Å
354A84.3Confident83.6Confident26 Ų2663.6 Ų63.622%0.21536%0.359CS..EExtended strand (participates in β ladder)trans-80.4118.3175.600000110.7K341 S342 Y343 E351K341-A354 HydrophobicContact CB-CB 4.34Å; K341-A354 HydrophobicContact CD-CB 4.05Å; S342-A354 CarbonylContact O-C 3.58Å; S342-A354 WeakPolarHBondContact O-CA 3.14Å; Y343-A354 HydrophobicContact CD1-CB 4.21Å; Y343-A354 HydrophobicContact CE1-CB 3.86Å; E351-A354 WeakPolarHBondContact O-CB 3.4Å; E351-A354 PolarHBondContact O-N 2.92Å
355V90.3Very high84.6Confident69 Ų6959.3 Ų59.342%0.41834%0.336SS..EExtended strand (participates in β ladder)trans-116143.7176.4-740000110.4K341 S342 L344 Y357K341-V355 CarbonylContact C-O 3.56Å; K341-V355 WeakPolarHBondContact CA-O 3.17Å; S342-V355 PolarHBondContact N-O 3.29Å; S342-V355 WeakPolarHBondContact O-CG2 3.47Å; S342-V355 PolarHBondContact O-N 3.17Å; S342-V355 VanDerWaalsContact O-O 3.14Å; L344-V355 HydrophobicContact CD2-CG2 4.48Å; V355-Y357 PolarHBondContact O-N 2.89Å
356V94.6Very high86Confident46 Ų4652.1 Ų52.128%0.27930%0.303SS..EExtended strand (participates in β ladder)trans-68.7129.9176.8176.10000109.7L329 P339 P340 P358L329-V356 HydrophobicContact CD2-CG1 3.73Å; P339-V356 HydrophobicContact CB-CG1 3.75Å; P339-V356 HydrophobicContact CB-CG2 4.19Å; P339-V356 HydrophobicContact CG-CG2 4.38Å; P340-V356 WeakPolarHBondContact O-CA 3.46Å; V356-P358 CarbonylContact C-O 3.57Å; V356-P358 WeakPolarHBondContact CG1-O 3.07Å
357Y94.8Very high87.7Confident13 Ų1348.6 Ų48.65%0.05127%0.267CS..SBendtrans-140125.2-178.5-178.2-87.4000112.5L108 L119 A120 L288 L289 V290 P340 V355L108-Y357 HydrophobicContact CD2-CD1 3.95Å; L108-Y357 HydrophobicContact CD2-CE1 3.84Å; L119-Y357 HydrophobicContact CB-CD2 4.25Å; L119-Y357 HydrophobicContact CB-CE1 4.18Å; L119-Y357 HydrophobicContact CB-CE2 3.83Å; L119-Y357 HydrophobicContact CD1-CD1 4.47Å; L119-Y357 HydrophobicContact CD2-CD1 4.35Å; L119-Y357 HydrophobicContact CD2-CE1 3.87Å; L119-Y357 HydrophobicContact CG-CE1 4.47Å; L119-Y357 WeakPolarHBondContact O-CE2 3.13Å; L119-Y357 PolarHBondContact O-OH 3.41Å; A120-Y357 HydrophobicContact CB-CE2 4.41Å; L288-Y357 HydrophobicContact CB-CE2 4.43Å; L288-Y357 HydrophobicContact CD2-CE2 4.21Å; L289-Y357 WeakPolarHBondContact CB-OH 3.45Å; L289-Y357 PolarHBondContact N-OH 3.4Å; V290-Y357 HydrophobicContact CG1-CE1 4.01Å; V290-Y357 PolarHBondContact N-OH 3.03Å; P340-Y357 WeakPolarHBondContact CG-O 3.41Å; P340-Y357 PolarHBondContact O-N 3.02Å; V355-Y357 PolarHBondContact O-N 2.89Å
358P96.6Very high89Confident0 Ų044.9 Ų44.90%025%0.25CS..SBendcis-63.3168.4-5.1-2235.9000111.9V290 V356 N360 G361 V362V290-P358 HydrophobicContact CB-CG 4.05Å; V290-P358 HydrophobicContact CG1-CG 3.45Å; V290-P358 VanDerWaalsContact CG1-CG 3.45Å; V290-P358 HydrophobicContact CG2-CB 3.98Å; V290-P358 HydrophobicContact CG2-CG 3.61Å; V356-P358 CarbonylContact C-O 3.57Å; V356-P358 WeakPolarHBondContact CG1-O 3.07Å; P358-N360 PolarHBondContact O-N 2.9Å; P358-G361 WeakPolarHBondContact O-CA 3.43Å; P358-G361 PolarHBondContact O-N 3.35Å; P358-V362 WeakPolarHBondContact CG-O 3.26Å
359P97.3Very high90.3Very high37 Ų3738.8 Ų38.824%0.2421%0.214CC..THydrogen-bonded Turntrans-52.2-30.8-178.5-29.333.3000115.3L288 S323 T326 G361L288-P359 HydrophobicContact CD1-CG 4.42Å; S323-P359 WeakPolarHBondContact O-CD 3.24Å; T326-P359 HydrophobicContact CG2-CB 4.16Å; P359-G361 VanDerWaalsContact C-N 3.33Å
360N97.5Very high91.7Very high1 Ų136.2 Ų36.21%0.00519%0.186CC..THydrogen-bonded Turntrans-81.2-7.3175.176-17.8000114.8F322 S323 D325 V328 L329 P358 V362F322-N360 WeakPolarHBondContact CD1-ND2 3.48Å; F322-N360 WeakPolarHBondContact CE1-ND2 3.23Å; F322-N360 WeakPolarHBondContact O-CB 3.49Å; F322-N360 PolarHBondContact O-ND2 3.34Å; S323-N360 WeakPolarHBondContact CA-ND2 3.5Å; S323-N360 PolarHBondContact O-N 3.36Å; D325-N360 WeakPolarHBondContact O-CA 3.22Å; D325-N360 VanDerWaalsContact O-CB 3.25Å; D325-N360 WeakPolarHBondContact O-CB 3.4Å; V328-N360 HydrophobicContact CB-CB 3.93Å; V328-N360 HydrophobicContact CG1-CB 4.21Å; V328-N360 HydrophobicContact CG2-CB 4.23Å; L329-N360 VanDerWaalsContact CD2-C 3.45Å; L329-N360 WeakPolarHBondContact CD2-O 3.31Å; P358-N360 PolarHBondContact O-N 2.9Å; N360-V362 VanDerWaalsContact C-N 3.33Å; N360-V362 PolarHBondContact O-N 2.96Å; N360-V362 PolarHBondContact OD1-N 3.06Å; N360-V362 PolarHBondContact OD1-O 2.6Å
361G96.6Very high92.8Very high4 Ų433 Ų334%0.04117%0.169CC..SBendtrans74.611.3-177.100000115.4F332 P340 P358 P359F332-G361 VanDerWaalsContact CZ-O 3.27Å; F332-G361 WeakPolarHBondContact CZ-O 3.44Å; P340-G361 WeakPolarHBondContact CD-O 3.33Å; P358-G361 WeakPolarHBondContact O-CA 3.43Å; P358-G361 PolarHBondContact O-N 3.35Å; P359-G361 VanDerWaalsContact C-N 3.33Å
362V97.3Very high93.9Very high10 Ų1025.3 Ų25.36%0.06113%0.133CC..  trans-113.8120.9-176-178.50000110.6F322 V328 P358 N360 F368 Y393F322-V362 HydrophobicContact CE1-CB 4.17Å; F322-V362 HydrophobicContact CE1-CG1 4.31Å; F322-V362 HydrophobicContact CE1-CG2 4.22Å; F322-V362 HydrophobicContact CZ-CG2 4.31Å; V328-V362 HydrophobicContact CG1-CG2 4.19Å; P358-V362 WeakPolarHBondContact CG-O 3.26Å; N360-V362 VanDerWaalsContact C-N 3.33Å; N360-V362 PolarHBondContact O-N 2.96Å; N360-V362 PolarHBondContact OD1-N 3.06Å; N360-V362 PolarHBondContact OD1-O 2.6Å; V362-F368 HydrophobicContact CG1-CE2 3.88Å; V362-F368 HydrophobicContact CG1-CZ 3.97Å; V362-Y393 HydrophobicContact CG1-CE2 4.5Å; V362-Y393 WeakPolarHBondContact CG1-OH 3.48Å; V362-Y393 HydrophobicContact CG2-CE1 3.76Å; V362-Y393 WeakPolarHBondContact CG2-OH 3.5Å
363I96.6Very high95Very high16 Ų1617.4 Ų17.48%0.08210%0.096CC..PPolyproline II helixtrans-94.9119.5172.8-62.6165.7000108.3I104 L108 V151 P340I104-I363 HydrophobicContact CG2-CB 4Å; I104-I363 HydrophobicContact CG2-CD1 3.53Å; I104-I363 HydrophobicContact CG2-CG1 4.36Å; I104-I363 HydrophobicContact CG2-CG2 3.84Å; L108-I363 HydrophobicContact CD2-CD1 3.83Å; L108-I363 HydrophobicContact CD2-CG1 4.25Å; V151-I363 HydrophobicContact CB-CG2 4.2Å; V151-I363 HydrophobicContact CG1-CG2 4.14Å; V151-I363 HydrophobicContact CG2-CG2 3.98Å; P340-I363 HydrophobicContact CB-CD1 4.04Å; P340-I363 HydrophobicContact CG-CD1 3.88Å; P340-I363 HydrophobicContact CG-CG1 4.16Å
364P96.3Very high95.9Very high10 Ų1013.9 Ų13.97%0.0658%0.083CC..PPolyproline II helixtrans-67.9139.8-176.328.3-34.8000111.4L293 I294 F368L293-P364 HydrophobicContact CB-CG 3.98Å; L293-P364 HydrophobicContact CD1-CG 4.36Å; I294-P364 HydrophobicContact CG1-CG 4.25Å; P364-F368 HydrophobicContact CB-CB 3.99Å; P364-F368 HydrophobicContact CB-CD1 4.15Å; P364-F368 HydrophobicContact CB-CD2 4.5Å; P364-F368 HydrophobicContact CB-CG 3.96Å
365F95.8Very high96.6Very high4 Ų412.7 Ų12.72%0.0187%0.072CC..PPolyproline II helixtrans-98.6172.2171.569.9-92000111.1Y152 P154 G367 F368 Y371 H401 V448Y152-F365 HydrophobicContact CD1-CB 4.24Å; Y152-F365 HydrophobicContact CD2-CB 3.83Å; Y152-F365 HydrophobicContact CE1-CB 3.77Å; Y152-F365 HydrophobicContact CE2-CB 3.34Å; Y152-F365 HydrophobicContact CE2-CG 4.11Å; Y152-F365 HydrophobicContact CG-CB 4.28Å; P154-F365 HydrophobicContact CG-CD2 4.34Å; P154-F365 HydrophobicContact CG-CE2 4.43Å; F365-G367 PolarHBondContact O-N 3.44Å; F365-G367 VanDerWaalsContact O-N 3.15Å; F365-F368 HydrophobicContact CD1-CB 4.31Å; F365-F368 AromaticContact CD1-CD2 3.8Å; F365-F368 HydrophobicContact CD1-CD2 3.8Å; F365-F368 HydrophobicContact CE1-CB 4.33Å; F365-F368 AromaticContact CE1-CD2 3.68Å; F365-F368 HydrophobicContact CE1-CD2 3.68Å; F365-F368 HydrophobicContact CE1-CG 4.49Å; F365-F368 WeakPolarHBondContact O-CB 3.4Å; F365-F368 PolarHBondContact O-N 3.15Å; F365-Y371 AromaticContact CE1-CE2 3.7Å; F365-Y371 HydrophobicContact CE1-CE2 3.7Å; F365-Y371 AromaticContact CZ-CE2 3.84Å; F365-Y371 HydrophobicContact CZ-CE2 3.84Å; F365-Y371 AromaticContact CZ-CZ 3.8Å; F365-H401 AromaticContact CE1-CD2 3.84Å; F365-V448 HydrophobicContact CE2-CG1 3.9Å; F365-V448 HydrophobicContact CZ-CG1 3.89Å
366H96.6Very high96.9Very high47 Ų479.8 Ų9.822%0.2186%0.055CC..THydrogen-bonded Turntrans-67.8110.7174.3-178.846.9000113.3P150 Y152 A153 D297 R449P150-H366 HydrophobicContact CB-CB 3.84Å; P150-H366 HydrophobicContact CG-CB 3.94Å; Y152-H366 PolarHBondContact O-N 2.79Å; Y152-H366 VanDerWaalsContact O-N 3.11Å; A153-H366 HydrophobicContact CB-CB 4.33Å; D297-H366 WeakPolarHBondContact OD1-CA 3.48Å; D297-H366 IonicContact OD1-ND1 2.65Å; D297-H366 PolarHBondContact OD1-ND1 2.85Å; H366-R449 PolarHBondContact CD2-NH2 2.98Å; H366-R449 PolarHBondContact NE2-NH2 3.23Å; H366-R449 PolarHBondContact O-NH2 3.18Å
367G96.1Very high97Very high0 Ų012.4 Ų12.40%06%0.063CC..THydrogen-bonded Turntrans101.916.1-174.600000114.5D297 F365 S369 M370D297-G367 PolarHBondContact OD1-N 3.49Å; D297-G367 PolarHBondContact OD2-N 3.39Å; F365-G367 PolarHBondContact O-N 3.44Å; F365-G367 VanDerWaalsContact O-N 3.15Å; G367-S369 VanDerWaalsContact C-N 3.29Å; G367-M370 WeakPolarHBondContact O-CB 3.43Å; G367-M370 PolarHBondContact O-N 2.98Å
368F97.6Very high97.1Very high6 Ų613.2 Ų13.23%0.0267%0.068CC..G310 helixtrans-64.6-36176.7-170.5-94.9000111.9D297 L319 F322 V362 P364 F365 M370 Y371 F389 Y393D297-F368 PolarHBondContact OD2-N 3.44Å; L319-F368 HydrophobicContact CD2-CD1 3.77Å; L319-F368 HydrophobicContact CD2-CE1 3.67Å; F322-F368 HydrophobicContact CD1-CE1 4.23Å; F322-F368 HydrophobicContact CD1-CZ 4.27Å; F322-F368 HydrophobicContact CE1-CE1 4.17Å; F322-F368 AromaticContact CE1-CZ 3.75Å; F322-F368 HydrophobicContact CE1-CZ 3.75Å; V362-F368 HydrophobicContact CG1-CE2 3.88Å; V362-F368 HydrophobicContact CG1-CZ 3.97Å; P364-F368 HydrophobicContact CB-CB 3.99Å; P364-F368 HydrophobicContact CB-CD1 4.15Å; P364-F368 HydrophobicContact CB-CD2 4.5Å; P364-F368 HydrophobicContact CB-CG 3.96Å; F365-F368 HydrophobicContact CD1-CB 4.31Å; F365-F368 AromaticContact CD1-CD2 3.8Å; F365-F368 HydrophobicContact CD1-CD2 3.8Å; F365-F368 HydrophobicContact CE1-CB 4.33Å; F365-F368 AromaticContact CE1-CD2 3.68Å; F365-F368 HydrophobicContact CE1-CD2 3.68Å; F365-F368 HydrophobicContact CE1-CG 4.49Å; F365-F368 WeakPolarHBondContact O-CB 3.4Å; F365-F368 PolarHBondContact O-N 3.15Å; F368-M370 PolarHBondContact O-N 3.44Å; F368-M370 VanDerWaalsContact O-N 3.15Å; F368-Y371 HydrophobicContact CD2-CD2 4.19Å; F368-Y371 HydrophobicContact CD2-CE2 4.22Å; F368-Y371 HydrophobicContact CE2-CD2 4.24Å; F368-Y371 HydrophobicContact CE2-CE2 4.33Å; F368-Y371 PolarHBondContact O-N 3.11Å; F368-F389 HydrophobicContact CE1-CZ 4.12Å; F368-F389 HydrophobicContact CZ-CZ 4.28Å; F368-Y393 HydrophobicContact CE2-CD2 4.34Å; F368-Y393 AromaticContact CE2-CE2 3.62Å; F368-Y393 HydrophobicContact CE2-CE2 3.62Å; F368-Y393 HydrophobicContact CZ-CD2 4.17Å; F368-Y393 AromaticContact CZ-CE2 3.76Å; F368-Y393 HydrophobicContact CZ-CE2 3.76Å
369S97.3Very high97.2Very high0 Ų013.7 Ų13.70%07%0.07CC..G310 helixtrans-54.9-29.8175.761.30000113.5D297 T301 G367 Y371 V372 A373D297-S369 PolarHBondContact OD2-N 3.26Å; D297-S369 PolarHBondContact OD2-OG 3.49Å; T301-S369 PolarHBondContact OG1-OG 3.02Å; G367-S369 VanDerWaalsContact C-N 3.29Å; S369-Y371 PolarHBondContact O-N 3.1Å; S369-Y371 VanDerWaalsContact O-N 3.17Å; S369-V372 PolarHBondContact O-N 3.27Å; S369-A373 PolarHBondContact O-N 3.11Å; S369-A373 VanDerWaalsContact O-N 3.16Å
370M97.3Very high97Very high3 Ų317.7 Ų17.72%0.0159%0.089CC..G310 helixtrans-68.5-14.5-176.5-58.1-53.1-68.300112.8A302 Y308 G367 F368 V372 P374 S452A302-M370 HydrophobicContact CB-SD 4.43Å; Y308-M370 HydrophobicContact CD2-CE 3.59Å; Y308-M370 HydrophobicContact CE2-CE 3.59Å; G367-M370 WeakPolarHBondContact O-CB 3.43Å; G367-M370 PolarHBondContact O-N 2.98Å; F368-M370 PolarHBondContact O-N 3.44Å; F368-M370 VanDerWaalsContact O-N 3.15Å; M370-V372 VanDerWaalsContact C-N 3.29Å; M370-P374 VanDerWaalsContact O-CD 3.22Å; M370-P374 WeakPolarHBondContact O-CD 3.49Å; M370-S452 WeakPolarHBondContact O-CB 3.5Å; M370-S452 PolarHBondContact O-OG 3.34Å
371Y98.2Very high97Very high0 Ų022.4 Ų22.40%011%0.111CC..G310 helixtrans-72.8-22.2169.4-65.3-34.8000113.6F365 F368 S369 F397 L400 V448F365-Y371 AromaticContact CE1-CE2 3.7Å; F365-Y371 HydrophobicContact CE1-CE2 3.7Å; F365-Y371 AromaticContact CZ-CE2 3.84Å; F365-Y371 HydrophobicContact CZ-CE2 3.84Å; F365-Y371 AromaticContact CZ-CZ 3.8Å; F368-Y371 HydrophobicContact CD2-CD2 4.19Å; F368-Y371 HydrophobicContact CD2-CE2 4.22Å; F368-Y371 HydrophobicContact CE2-CD2 4.24Å; F368-Y371 HydrophobicContact CE2-CE2 4.33Å; F368-Y371 PolarHBondContact O-N 3.11Å; S369-Y371 PolarHBondContact O-N 3.1Å; S369-Y371 VanDerWaalsContact O-N 3.17Å; Y371-F397 HydrophobicContact CD1-CB 4.32Å; Y371-F397 HydrophobicContact CD1-CD1 4.05Å; Y371-F397 AromaticContact CD1-CD2 3.95Å; Y371-F397 HydrophobicContact CD1-CD2 3.95Å; Y371-F397 HydrophobicContact CD1-CE1 4.28Å; Y371-F397 HydrophobicContact CD1-CE2 4.17Å; Y371-F397 AromaticContact CD1-CG 3.87Å; Y371-F397 HydrophobicContact CD1-CG 3.87Å; Y371-F397 HydrophobicContact CD1-CZ 4.32Å; Y371-F397 HydrophobicContact CD2-CB 4.06Å; Y371-F397 HydrophobicContact CD2-CD2 4.24Å; Y371-F397 HydrophobicContact CD2-CG 4.31Å; Y371-F397 HydrophobicContact CE1-CB 4.21Å; Y371-F397 HydrophobicContact CE1-CD1 4.11Å; Y371-F397 HydrophobicContact CE1-CG 4.1Å; Y371-F397 HydrophobicContact CE2-CB 3.91Å; Y371-F397 HydrophobicContact CE2-CG 4.48Å; Y371-F397 HydrophobicContact CG-CB 4.26Å; Y371-F397 AromaticContact CG-CD2 3.75Å; Y371-F397 HydrophobicContact CG-CD2 3.75Å; Y371-F397 HydrophobicContact CG-CE2 4.15Å; Y371-F397 AromaticContact CG-CG 4Å; Y371-F397 HydrophobicContact CG-CG 4Å; Y371-L400 HydrophobicContact CE1-CD1 4.15Å; Y371-V448 VanDerWaalsContact CE1-O 3.31Å; Y371-V448 WeakPolarHBondContact CE1-O 3.48Å; Y371-V448 PolarHBondContact OH-O 3.08Å
372V98.4Very high96.9Very high0 Ų023.5 Ų23.50%012%0.118CC..THydrogen-bonded Turntrans-98.5-38.6-179.4-175.50000111.3L315 V318 L319 S369 M370 P374 L375 C376 L385 F389L315-V372 HydrophobicContact CD2-CB 3.63Å; L315-V372 HydrophobicContact CD2-CG1 3.76Å; V318-V372 HydrophobicContact CB-CG1 4.06Å; V318-V372 HydrophobicContact CG1-CG1 3.83Å; V318-V372 HydrophobicContact CG1-CG2 3.98Å; V318-V372 HydrophobicContact CG2-CG1 4.28Å; L319-V372 HydrophobicContact CD2-CG2 3.56Å; L319-V372 HydrophobicContact CG-CG2 4.06Å; S369-V372 PolarHBondContact O-N 3.27Å; M370-V372 VanDerWaalsContact C-N 3.29Å; V372-P374 VanDerWaalsContact C-CD 3.47Å; V372-P374 VanDerWaalsContact O-N 3.15Å; V372-L375 WeakPolarHBondContact O-CA 3.49Å; V372-L375 VanDerWaalsContact O-CB 3.25Å; V372-L375 WeakPolarHBondContact O-CB 3.18Å; V372-L375 PolarHBondContact O-N 2.92Å; V372-C376 PolarHBondContact O-N 2.94Å; V372-L385 HydrophobicContact CG1-CD2 4.44Å; V372-F389 HydrophobicContact CG2-CD1 3.88Å; V372-F389 HydrophobicContact CG2-CD2 3.52Å; V372-F389 HydrophobicContact CG2-CE1 3.83Å; V372-F389 HydrophobicContact CG2-CE2 3.5Å; V372-F389 VanDerWaalsContact CG2-CE2 3.5Å; V372-F389 HydrophobicContact CG2-CG 3.72Å; V372-F389 HydrophobicContact CG2-CZ 3.65Å
373A97.8Very high96.9Very high0 Ų023.6 Ų23.60%012%0.119CC..G310 helixtrans-50.6-44-169.600000115.2Y308 L315 S369 L375 C376Y308-A373 HydrophobicContact CD1-CB 3.75Å; Y308-A373 HydrophobicContact CD2-CB 3.93Å; Y308-A373 HydrophobicContact CE1-CB 4.19Å; Y308-A373 HydrophobicContact CE2-CB 4.38Å; Y308-A373 HydrophobicContact CG-CB 3.61Å; L315-A373 HydrophobicContact CD2-CB 4.06Å; S369-A373 PolarHBondContact O-N 3.11Å; S369-A373 VanDerWaalsContact O-N 3.16Å; A373-L375 VanDerWaalsContact C-N 3.29Å; A373-L375 PolarHBondContact O-N 3.12Å; A373-C376 WeakPolarHBondContact O-CB 3.29Å; A373-C376 PolarHBondContact O-N 3.17Å
374P97.4Very high96.9Very high0 Ų024.2 Ų24.20%012%0.121CC..G310 helixtrans-66.7-28.6177.2-19.733000113.7Y308 M370 V372 C376 F377 S452 L460 W464Y308-P374 HydrophobicContact CE1-CB 4.44Å; Y308-P374 HydrophobicContact CE1-CG 4.29Å; M370-P374 VanDerWaalsContact O-CD 3.22Å; M370-P374 WeakPolarHBondContact O-CD 3.49Å; V372-P374 VanDerWaalsContact C-CD 3.47Å; V372-P374 VanDerWaalsContact O-N 3.15Å; P374-C376 PolarHBondContact O-N 2.87Å; P374-F377 PolarHBondContact O-N 3.06Å; P374-S452 VanDerWaalsContact CG-OG 3.25Å; P374-S452 WeakPolarHBondContact CG-OG 3.37Å; P374-L460 HydrophobicContact CB-CD2 3.8Å; P374-L460 HydrophobicContact CG-CD2 3.36Å; P374-W464 HydrophobicContact CB-CH2 4.05Å; P374-W464 HydrophobicContact CB-CZ3 3.98Å; P374-W464 HydrophobicContact CG-CH2 3.65Å; P374-W464 HydrophobicContact CG-CZ2 4.2Å; P374-W464 HydrophobicContact CG-CZ3 4.12Å
375L98.1Very high97Very high0 Ų023.8 Ų23.80%012%0.118CC..G310 helixtrans-69.9-23.1179.9-57.5178.3000112W260 V372 A373 F377 L378 Y379 L385 V388 F389 W464W260-L375 HydrophobicContact CE3-CD2 4.13Å; W260-L375 HydrophobicContact CZ3-CD2 3.56Å; V372-L375 WeakPolarHBondContact O-CA 3.49Å; V372-L375 VanDerWaalsContact O-CB 3.25Å; V372-L375 WeakPolarHBondContact O-CB 3.18Å; V372-L375 PolarHBondContact O-N 2.92Å; A373-L375 VanDerWaalsContact C-N 3.29Å; A373-L375 PolarHBondContact O-N 3.12Å; L375-F377 PolarHBondContact O-N 2.63Å; L375-L378 WeakPolarHBondContact O-CB 3.3Å; L375-L378 PolarHBondContact O-N 3.49Å; L375-Y379 PolarHBondContact O-N 3.16Å; L375-Y379 VanDerWaalsContact O-N 3.1Å; L375-L385 HydrophobicContact CB-CD1 3.33Å; L375-L385 HydrophobicContact CD1-CD1 4.44Å; L375-V388 HydrophobicContact CD1-CG1 4.46Å; L375-V388 HydrophobicContact CD2-CG1 4.48Å; L375-F389 HydrophobicContact CD1-CB 3.89Å; L375-F389 HydrophobicContact CD1-CD2 4.26Å; L375-W464 HydrophobicContact CD2-CE3 4.17Å; L375-W464 HydrophobicContact CD2-CZ3 3.76Å; L375-W464 HydrophobicContact CG-CZ3 4.03Å
376C97.6Very high97.2Very high9 Ų923.7 Ų23.76%0.06112%0.118CC..G310 helixtrans-63.4-25177.1-57.70000112.6F311 V372 A373 P374 L378F311-C376 HydrophobicContact CB-CB 3.88Å; F311-C376 HydrophobicContact CD1-CB 3.42Å; F311-C376 VanDerWaalsContact CD1-CB 3.42Å; F311-C376 HydrophobicContact CD2-CB 3.75Å; F311-C376 HydrophobicContact CE1-CB 3.79Å; F311-C376 HydrophobicContact CE2-CB 4.12Å; F311-C376 HydrophobicContact CG-CB 3.39Å; F311-C376 HydrophobicContact CZ-CB 4.13Å; V372-C376 PolarHBondContact O-N 2.94Å; A373-C376 WeakPolarHBondContact O-CB 3.29Å; A373-C376 PolarHBondContact O-N 3.17Å; P374-C376 PolarHBondContact O-N 2.87Å; C376-L378 VanDerWaalsContact C-N 3.27Å; C376-L378 PolarHBondContact O-N 3.03Å
377F96.9Very high97.2Very high100 Ų10021.7 Ų21.744%0.43911%0.109SC..G310 helixtrans-72.6-18.6171.4-75.4-77.5000113.5Y308 F311 P374 L375 T457Y308-F377 HydrophobicContact CD1-CD2 4.41Å; Y308-F377 AromaticContact CD1-CE2 3.74Å; Y308-F377 HydrophobicContact CD1-CE2 3.74Å; Y308-F377 HydrophobicContact CE1-CD2 4.08Å; Y308-F377 AromaticContact CE1-CE2 3.59Å; Y308-F377 HydrophobicContact CE1-CE2 3.59Å; F311-F377 HydrophobicContact CD2-CE2 4.41Å; F311-F377 HydrophobicContact CE2-CD1 4.16Å; F311-F377 AromaticContact CE2-CD2 3.72Å; F311-F377 HydrophobicContact CE2-CD2 3.72Å; F311-F377 AromaticContact CE2-CE1 3.87Å; F311-F377 HydrophobicContact CE2-CE1 3.87Å; F311-F377 AromaticContact CE2-CE2 3.43Å; F311-F377 HydrophobicContact CE2-CE2 3.43Å; F311-F377 VanDerWaalsContact CE2-CE2 3.43Å; F311-F377 HydrophobicContact CE2-CG 4.1Å; F311-F377 AromaticContact CE2-CZ 3.51Å; F311-F377 HydrophobicContact CE2-CZ 3.51Å; F311-F377 AromaticContact CZ-CD1 3.84Å; F311-F377 HydrophobicContact CZ-CD1 3.84Å; F311-F377 HydrophobicContact CZ-CD2 4.12Å; F311-F377 AromaticContact CZ-CE1 3.79Å; F311-F377 HydrophobicContact CZ-CE1 3.79Å; F311-F377 HydrophobicContact CZ-CE2 4.11Å; F311-F377 HydrophobicContact CZ-CG 4.02Å; F311-F377 AromaticContact CZ-CZ 3.95Å; F311-F377 HydrophobicContact CZ-CZ 3.95Å; P374-F377 PolarHBondContact O-N 3.06Å; L375-F377 PolarHBondContact O-N 2.63Å; F377-T457 HydrophobicContact CD2-CG2 3.45Å; F377-T457 VanDerWaalsContact CD2-CG2 3.45Å; F377-T457 HydrophobicContact CE2-CG2 3.72Å; F377-T457 HydrophobicContact CG-CG2 4.07Å
378L97.1Very high97.3Very high30 Ų3021.7 Ų21.716%0.15711%0.109CC..THydrogen-bonded Turntrans-100.5-29.1-176.8-60.3-176.5000113.3R256 A257 W260 L375 C376 L461R256-L378 HydrophobicContact CB-CD2 4.44Å; R256-L378 HydrophobicContact CG-CD1 4.33Å; R256-L378 HydrophobicContact CG-CD2 4.27Å; A257-L378 HydrophobicContact CB-CB 4.31Å; W260-L378 HydrophobicContact CD2-CD1 4.18Å; W260-L378 HydrophobicContact CE3-CD1 3.7Å; W260-L378 HydrophobicContact CH2-CD1 4.05Å; W260-L378 HydrophobicContact CZ3-CD1 3.64Å; L375-L378 WeakPolarHBondContact O-CB 3.3Å; L375-L378 PolarHBondContact O-N 3.49Å; C376-L378 VanDerWaalsContact C-N 3.27Å; C376-L378 PolarHBondContact O-N 3.03Å; L378-L461 HydrophobicContact CD1-CD2 3.97Å; L378-L461 HydrophobicContact CD2-CD1 4.03Å; L378-L461 HydrophobicContact CG-CD2 4.33Å
379Y97.1Very high97.3Very high11 Ų1121.4 Ų21.44%0.04311%0.107CC..  trans-134.8117.3-172.4-53.3-77.3000110.9A257 L375 K384 L385 V388A257-Y379 WeakPolarHBondContact CA-OH 3.37Å; A257-Y379 HydrophobicContact CB-CD1 4.29Å; A257-Y379 HydrophobicContact CB-CE1 3.68Å; A257-Y379 PolarHBondContact O-OH 3.39Å; L375-Y379 PolarHBondContact O-N 3.16Å; L375-Y379 VanDerWaalsContact O-N 3.1Å; Y379-K384 HydrophobicContact CD1-CG 3.5Å; Y379-K384 HydrophobicContact CE1-CG 4.04Å; Y379-K384 HydrophobicContact CG-CG 4.21Å; Y379-L385 HydrophobicContact CD2-CD1 4.16Å; Y379-V388 HydrophobicContact CD2-CB 4.44Å; Y379-V388 HydrophobicContact CD2-CG1 4.4Å; Y379-V388 HydrophobicContact CD2-CG2 4.45Å; Y379-V388 HydrophobicContact CE1-CG2 3.99Å; Y379-V388 HydrophobicContact CE2-CB 4.01Å; Y379-V388 HydrophobicContact CE2-CG1 3.63Å; Y379-V388 HydrophobicContact CE2-CG2 3.9Å
380N94.7Very high97.3Very high121 Ų12123.2 Ų23.265%0.64711%0.114SC*.  trans-91.1-12.7178.163.4-23000113.8F314F314-N380 WeakPolarHBondContact CE1-O 3.41Å; F314-N380 VanDerWaalsContact CZ-O 3.3Å; F314-N380 WeakPolarHBondContact CZ-O 3.47Å
381E95.6Very high97.2Very high99 Ų9923.2 Ų23.246%0.46311%0.114SC..SBendtrans-96.4118.5176.8-67.4-63.4139.800110S383 K384 L385E381-S383 VanDerWaalsContact C-N 3.29Å; E381-S383 PolarHBondContact O-N 2.95Å; E381-K384 HydrophobicContact CB-CB 4.03Å; E381-K384 PolarHBondContact O-N 3.16Å; E381-K384 VanDerWaalsContact O-N 3.07Å; E381-L385 WeakPolarHBondContact O-CB 3.36Å; E381-L385 PolarHBondContact O-N 3.03Å
382P96.4Very high97.2Very high27 Ų2723.2 Ų23.218%0.17511%0.114CC..Hα-helixtrans-58.1-36.6-176.1-28.536000114.2Y276 F314 Q317 Y386Y276-P382 HydrophobicContact CE1-CB 4.14Å; Y276-P382 HydrophobicContact CE2-CB 4.42Å; Y276-P382 VanDerWaalsContact OH-CB 3.31Å; Y276-P382 WeakPolarHBondContact OH-CB 3.46Å; F314-P382 HydrophobicContact CE1-CG 4.37Å; Q317-P382 HydrophobicContact CB-CB 4.45Å; P382-Y386 WeakPolarHBondContact O-CB 3.47Å; P382-Y386 PolarHBondContact O-N 3.49Å
383S96.8Very high97.1Very high13 Ų1323.3 Ų23.39%0.09112%0.115CC..Hα-helixtrans-62.9-43.2176.253.60000112.3N268 E381 S387N268-S383 PolarHBondContact ND2-OG 3.47Å; N268-S383 PolarHBondContact OD1-OG 3.23Å; E381-S383 VanDerWaalsContact C-N 3.29Å; E381-S383 PolarHBondContact O-N 2.95Å; S383-S387 WeakPolarHBondContact O-CB 3.32Å; S383-S387 PolarHBondContact O-N 3.27Å
384K97.1Very high97Very high29 Ų2923.9 Ų23.913%0.12612%0.118CC..Hα-helixtrans-68.9-48176.8-178.268.9-163.6164.90111.3S266 N268 Y379 E381 Y386 S387 V388S266-K384 VanDerWaalsContact C-NZ 3.26Å; S266-K384 PolarHBondContact O-NZ 2.65Å; S266-K384 PolarHBondContact OG-NZ 3.5Å; N268-K384 HydrophobicContact CB-CB 4.32Å; N268-K384 HydrophobicContact CB-CD 3.72Å; Y379-K384 HydrophobicContact CD1-CG 3.5Å; Y379-K384 HydrophobicContact CE1-CG 4.04Å; Y379-K384 HydrophobicContact CG-CG 4.21Å; E381-K384 HydrophobicContact CB-CB 4.03Å; E381-K384 PolarHBondContact O-N 3.16Å; E381-K384 VanDerWaalsContact O-N 3.07Å; K384-Y386 VanDerWaalsContact C-N 3.28Å; K384-Y386 PolarHBondContact O-N 2.94Å; K384-S387 PolarHBondContact O-N 2.89Å; K384-V388 WeakPolarHBondContact O-CG2 3.46Å; K384-V388 PolarHBondContact O-N 3Å
385L98.3Very high96.8Very high0 Ų024.6 Ų24.60%012%0.12CC..Hα-helixtrans-55.6-46.8177.5176.158.9000110.6F314 V318 V372 L375 Y379 E381 V388 F389F314-L385 HydrophobicContact CB-CD2 4.29Å; F314-L385 HydrophobicContact CD1-CD2 3.69Å; V318-L385 HydrophobicContact CG2-CB 4.27Å; V318-L385 HydrophobicContact CG2-CD2 3.54Å; V318-L385 HydrophobicContact CG2-CG 3.64Å; V372-L385 HydrophobicContact CG1-CD2 4.44Å; L375-L385 HydrophobicContact CB-CD1 3.33Å; L375-L385 HydrophobicContact CD1-CD1 4.44Å; Y379-L385 HydrophobicContact CD2-CD1 4.16Å; E381-L385 WeakPolarHBondContact O-CB 3.36Å; E381-L385 PolarHBondContact O-N 3.03Å; L385-V388 PolarHBondContact O-N 3.48Å; L385-F389 WeakPolarHBondContact O-CB 3.14Å; L385-F389 PolarHBondContact O-N 3.49Å
386Y98.3Very high96.6Very high3 Ų324.8 Ų24.81%0.01212%0.121CC..Hα-helixtrans-58.9-48.8175.7171.4-100.5000112.6Y276 L279 V318 C321 F322 D325 P382 K384 V388 F389 R390Y276-Y386 AromaticContact CD2-CD1 3.9Å; Y276-Y386 HydrophobicContact CD2-CD1 3.9Å; Y276-Y386 AromaticContact CD2-CG 3.81Å; Y276-Y386 HydrophobicContact CD2-CG 3.81Å; Y276-Y386 HydrophobicContact CE2-CG 4.2Å; L279-Y386 HydrophobicContact CD1-CD1 4.46Å; L279-Y386 HydrophobicContact CD1-CE1 3.59Å; L279-Y386 HydrophobicContact CD1-CE2 4.2Å; L279-Y386 VanDerWaalsContact CD1-CZ 3.44Å; L279-Y386 WeakPolarHBondContact CD1-OH 3.42Å; V318-Y386 HydrophobicContact CG1-CD2 4.29Å; C321-Y386 HydrophobicContact CB-CD2 4.31Å; C321-Y386 HydrophobicContact CB-CE2 4.34Å; F322-Y386 HydrophobicContact CB-CE2 3.97Å; F322-Y386 HydrophobicContact CD2-CE2 4.33Å; D325-Y386 WeakPolarHBondContact CB-OH 3.44Å; D325-Y386 PolarHBondContact OD2-OH 3.27Å; P382-Y386 WeakPolarHBondContact O-CB 3.47Å; P382-Y386 PolarHBondContact O-N 3.49Å; K384-Y386 VanDerWaalsContact C-N 3.28Å; K384-Y386 PolarHBondContact O-N 2.94Å; Y386-V388 VanDerWaalsContact C-N 3.32Å; Y386-V388 PolarHBondContact O-N 3.35Å; Y386-F389 PolarHBondContact O-N 2.73Å; Y386-R390 WeakPolarHBondContact O-CB 3.31Å; Y386-R390 PolarHBondContact O-N 3.27Å
387S96.9Very high96.7Very high4 Ų424.4 Ų24.43%0.02812%0.118CC..Hα-helixtrans-58.5-43.7179.1-179.60000111.8S266 T267 S383 K384 E391S266-S387 WeakPolarHBondContact OG-CB 3.36Å; S266-S387 PolarHBondContact OG-OG 3.29Å; T267-S387 PolarHBondContact O-OG 2.96Å; S383-S387 WeakPolarHBondContact O-CB 3.32Å; S383-S387 PolarHBondContact O-N 3.27Å; K384-S387 PolarHBondContact O-N 2.89Å; S387-E391 WeakPolarHBondContact O-CG 3.42Å; S387-E391 PolarHBondContact O-N 2.85Å
388V97.8Very high96.6Very high0 Ų019.7 Ų19.70%010%0.098CC..Hα-helixtrans-67.3-46.8177.1171.10000111.6L264 S266 L375 Y379 K384 L385 Y386 R390 E391 M392L264-V388 HydrophobicContact CD1-CG1 3.73Å; S266-V388 WeakPolarHBondContact OG-CG2 3.36Å; L375-V388 HydrophobicContact CD1-CG1 4.46Å; L375-V388 HydrophobicContact CD2-CG1 4.48Å; Y379-V388 HydrophobicContact CD2-CB 4.44Å; Y379-V388 HydrophobicContact CD2-CG1 4.4Å; Y379-V388 HydrophobicContact CD2-CG2 4.45Å; Y379-V388 HydrophobicContact CE1-CG2 3.99Å; Y379-V388 HydrophobicContact CE2-CB 4.01Å; Y379-V388 HydrophobicContact CE2-CG1 3.63Å; Y379-V388 HydrophobicContact CE2-CG2 3.9Å; K384-V388 WeakPolarHBondContact O-CG2 3.46Å; K384-V388 PolarHBondContact O-N 3Å; L385-V388 PolarHBondContact O-N 3.48Å; Y386-V388 VanDerWaalsContact C-N 3.32Å; Y386-V388 PolarHBondContact O-N 3.35Å; V388-R390 VanDerWaalsContact C-N 3.34Å; V388-R390 PolarHBondContact O-N 3.39Å; V388-E391 PolarHBondContact O-N 3.34Å; V388-M392 HydrophobicContact CG1-CG 4.36Å; V388-M392 WeakPolarHBondContact O-CG 3.28Å; V388-M392 PolarHBondContact O-N 2.87Å
389F98.4Very high96.6Very high0 Ų020.9 Ų20.90%010%0.1CC..Hα-helixtrans-59.4-44.2177.7169.8-117.3000111.9V318 L319 F322 F368 V372 L375 L385 Y386 E391 M392 Y393V318-F389 HydrophobicContact CG1-CB 4.17Å; V318-F389 HydrophobicContact CG1-CD1 3.54Å; V318-F389 HydrophobicContact CG1-CE1 4.26Å; V318-F389 HydrophobicContact CG1-CG 4.07Å; L319-F389 HydrophobicContact CD2-CE1 4.09Å; L319-F389 HydrophobicContact CD2-CZ 4.12Å; F322-F389 HydrophobicContact CB-CD1 4.5Å; F322-F389 HydrophobicContact CB-CE1 4.01Å; F322-F389 HydrophobicContact CD1-CE1 4Å; F322-F389 HydrophobicContact CD2-CD1 4.01Å; F322-F389 AromaticContact CD2-CE1 3.57Å; F322-F389 HydrophobicContact CD2-CE1 3.57Å; F322-F389 HydrophobicContact CE1-CE1 4.39Å; F322-F389 AromaticContact CE2-CE1 3.99Å; F322-F389 HydrophobicContact CE2-CE1 3.99Å; F322-F389 HydrophobicContact CG-CD1 4.3Å; F322-F389 AromaticContact CG-CE1 3.58Å; F322-F389 HydrophobicContact CG-CE1 3.58Å; F322-F389 HydrophobicContact CZ-CE1 4.39Å; F368-F389 HydrophobicContact CE1-CZ 4.12Å; F368-F389 HydrophobicContact CZ-CZ 4.28Å; V372-F389 HydrophobicContact CG2-CD1 3.88Å; V372-F389 HydrophobicContact CG2-CD2 3.52Å; V372-F389 HydrophobicContact CG2-CE1 3.83Å; V372-F389 HydrophobicContact CG2-CE2 3.5Å; V372-F389 VanDerWaalsContact CG2-CE2 3.5Å; V372-F389 HydrophobicContact CG2-CG 3.72Å; V372-F389 HydrophobicContact CG2-CZ 3.65Å; L375-F389 HydrophobicContact CD1-CB 3.89Å; L375-F389 HydrophobicContact CD1-CD2 4.26Å; L385-F389 WeakPolarHBondContact O-CB 3.14Å; L385-F389 PolarHBondContact O-N 3.49Å; Y386-F389 PolarHBondContact O-N 2.73Å; F389-E391 VanDerWaalsContact C-N 3.32Å; F389-E391 PolarHBondContact O-N 2.97Å; F389-M392 PolarHBondContact O-N 2.93Å; F389-Y393 HydrophobicContact CZ-CD2 4.41Å; F389-Y393 WeakPolarHBondContact O-CB 3.33Å; F389-Y393 PolarHBondContact O-N 3.32Å
390R97.5Very high96.6Very high38 Ų3820.4 Ų20.414%0.14310%0.098CC..Hα-helixtrans-55.7-48.8177.1-176.2-17769.1-163.4-4.5110.9D325 V328 Y386 V388 Y393 I394D325-R390 WeakPolarHBondContact OD2-CD 3.35Å; D325-R390 IonicContact OD2-NH1 3.82Å; D325-R390 PolarHBondContact OD2-NH1 3.01Å; V328-R390 HydrophobicContact CG2-CG 4.14Å; Y386-R390 WeakPolarHBondContact O-CB 3.31Å; Y386-R390 PolarHBondContact O-N 3.27Å; V388-R390 VanDerWaalsContact C-N 3.34Å; V388-R390 PolarHBondContact O-N 3.39Å; R390-Y393 PolarHBondContact O-N 2.94Å; R390-I394 WeakPolarHBondContact O-CG1 3.19Å; R390-I394 WeakPolarHBondContact O-CG2 3.21Å; R390-I394 PolarHBondContact O-N 3.43Å
391E95.3Very high96.7Very high4 Ų415.5 Ų15.52%0.0197%0.072CC..Hα-helixtrans-67.4-40.4179.9-65.9-62.2136.200112.4R68 L264 S387 V388 F389 Y393 R395R68-E391 IonicContact CZ-OE1 3.54Å; R68-E391 IonicContact CZ-OE2 3.12Å; R68-E391 IonicContact NE-OE2 3.71Å; R68-E391 IonicContact NH2-OE1 2.83Å; R68-E391 PolarHBondContact NH2-OE1 2.83Å; R68-E391 IonicContact NH2-OE2 3.94Å; R68-E391 PolarHBondContact NH2-OE2 3Å; R68-E391 VanDerWaalsContact NH2-OE2 3.15Å; L264-E391 HydrophobicContact CB-CB 3.92Å; L264-E391 HydrophobicContact CD2-CB 3.98Å; L264-E391 HydrophobicContact CG-CB 4.38Å; S387-E391 WeakPolarHBondContact O-CG 3.42Å; S387-E391 PolarHBondContact O-N 2.85Å; V388-E391 PolarHBondContact O-N 3.34Å; F389-E391 VanDerWaalsContact C-N 3.32Å; F389-E391 PolarHBondContact O-N 2.97Å; E391-Y393 VanDerWaalsContact C-N 3.29Å; E391-Y393 PolarHBondContact O-N 3.44Å; E391-R395 WeakPolarHBondContact O-CB 3.18Å; E391-R395 VanDerWaalsContact O-CG 3.32Å; E391-R395 WeakPolarHBondContact O-CG 3.43Å; E391-R395 PolarHBondContact O-N 3.22Å; E391-R395 IonicContact OE2-CZ 2.63Å; E391-R395 IonicContact OE2-NE 2.69Å; E391-R395 PolarHBondContact OE2-NE 3.5Å; E391-R395 IonicContact OE2-NH2 3.86Å; E391-R395 PolarHBondContact OE2-NH2 2.8Å
392M97Very high96.7Very high0 Ų010.9 Ų10.90%05%0.05CC..Hα-helixtrans-58-44172.6-76.6-72-74.200111.4L264 V388 F389 Y396 F397 W464 L468L264-M392 HydrophobicContact CD1-CG 3.72Å; L264-M392 HydrophobicContact CD1-SD 3.92Å; L264-M392 HydrophobicContact CD2-CG 4.38Å; L264-M392 HydrophobicContact CD2-SD 4.15Å; V388-M392 HydrophobicContact CG1-CG 4.36Å; V388-M392 WeakPolarHBondContact O-CG 3.28Å; V388-M392 PolarHBondContact O-N 2.87Å; F389-M392 PolarHBondContact O-N 2.93Å; M392-Y396 WeakPolarHBondContact O-CB 3.49Å; M392-Y396 PolarHBondContact O-N 3.47Å; M392-Y396 HydrophobicContact SD-CD2 4.22Å; M392-Y396 HydrophobicContact SD-CE2 4.41Å; M392-F397 HydrophobicContact CB-CD2 4.16Å; M392-F397 HydrophobicContact CB-CE2 3.85Å; M392-F397 HydrophobicContact CE-CE1 4.12Å; M392-F397 HydrophobicContact CE-CE2 3.92Å; M392-F397 HydrophobicContact CE-CZ 3.43Å; M392-F397 VanDerWaalsContact CE-CZ 3.43Å; M392-F397 PolarHBondContact O-N 3.46Å; M392-W464 HydrophobicContact CE-CD2 4.28Å; M392-W464 HydrophobicContact CE-CE3 3.86Å; M392-W464 HydrophobicContact CE-CZ3 4.3Å; M392-L468 HydrophobicContact SD-CD1 4.26Å; M392-L468 HydrophobicContact SD-CD2 3.71Å; M392-L468 HydrophobicContact SD-CG 4.21Å
393Y97.8Very high96.8Very high2 Ų29.6 Ų9.61%0.0084%0.042CC..Hα-helixtrans-65.7-53-178-177.7-90.1000112.3F322 V328 V362 F368 F389 R390 E391 R395 F397 F398 H401F322-Y393 HydrophobicContact CE2-CD1 4.01Å; F322-Y393 HydrophobicContact CE2-CG 4.14Å; F322-Y393 AromaticContact CZ-CD1 3.48Å; F322-Y393 HydrophobicContact CZ-CD1 3.48Å; F322-Y393 VanDerWaalsContact CZ-CD1 3.48Å; F322-Y393 HydrophobicContact CZ-CD2 4.19Å; F322-Y393 AromaticContact CZ-CE1 3.72Å; F322-Y393 HydrophobicContact CZ-CE1 3.72Å; F322-Y393 HydrophobicContact CZ-CE2 4.42Å; F322-Y393 AromaticContact CZ-CG 3.71Å; F322-Y393 HydrophobicContact CZ-CG 3.71Å; V328-Y393 HydrophobicContact CG1-CD1 4.42Å; V328-Y393 HydrophobicContact CG1-CE1 4.36Å; V362-Y393 HydrophobicContact CG1-CE2 4.5Å; V362-Y393 WeakPolarHBondContact CG1-OH 3.48Å; V362-Y393 HydrophobicContact CG2-CE1 3.76Å; V362-Y393 WeakPolarHBondContact CG2-OH 3.5Å; F368-Y393 HydrophobicContact CE2-CD2 4.34Å; F368-Y393 AromaticContact CE2-CE2 3.62Å; F368-Y393 HydrophobicContact CE2-CE2 3.62Å; F368-Y393 HydrophobicContact CZ-CD2 4.17Å; F368-Y393 AromaticContact CZ-CE2 3.76Å; F368-Y393 HydrophobicContact CZ-CE2 3.76Å; F389-Y393 HydrophobicContact CZ-CD2 4.41Å; F389-Y393 WeakPolarHBondContact O-CB 3.33Å; F389-Y393 PolarHBondContact O-N 3.32Å; R390-Y393 PolarHBondContact O-N 2.94Å; E391-Y393 VanDerWaalsContact C-N 3.29Å; E391-Y393 PolarHBondContact O-N 3.44Å; Y393-R395 PolarHBondContact O-N 3.13Å; Y393-F397 HydrophobicContact CD2-CB 3.99Å; Y393-F397 PolarHBondContact O-N 3.13Å; Y393-F398 HydrophobicContact CD1-CB 4.47Å; Y393-F398 HydrophobicContact CE1-CB 3.95Å; Y393-F398 WeakPolarHBondContact O-CD1 3.29Å; Y393-F398 PolarHBondContact O-N 2.92Å; Y393-H401 AromaticContact CE2-NE2 3.37Å; Y393-H401 WeakPolarHBondContact CE2-NE2 3.45Å; Y393-H401 AromaticContact CZ-CE1 3.86Å; Y393-H401 AromaticContact CZ-NE2 3.49Å; Y393-H401 PolarHBondContact OH-CE1 3.44Å; Y393-H401 PolarHBondContact OH-NE2 3.01Å
394I94.8Very high96.7Very high12 Ų129.4 Ų9.46%0.0624%0.041CC..Hα-helixtrans-73.1-12.8-173.668.5-177.8000113.9V328 H331 Y334 R390 F398V328-I394 HydrophobicContact CG1-CG2 4.16Å; H331-I394 HydrophobicContact CB-CB 3.82Å; H331-I394 HydrophobicContact CB-CG2 4Å; Y334-I394 WeakPolarHBondContact CE2-O 3.31Å; Y334-I394 PolarHBondContact OH-O 3.38Å; R390-I394 WeakPolarHBondContact O-CG1 3.19Å; R390-I394 WeakPolarHBondContact O-CG2 3.21Å; R390-I394 PolarHBondContact O-N 3.43Å; I394-F398 WeakPolarHBondContact O-CD1 3.5Å; I394-F398 WeakPolarHBondContact O-CE1 3.19Å
395R92.7Very high96.5Very high14 Ų149.5 Ų9.55%0.0535%0.045CC..Hα-helixtrans-99.9-42.7175.6-64.7-175.6-164.9-172.79.2112.4I263 L264 E391 Y393 R399I263-R395 PolarHBondContact O-NH1 2.88Å; I263-R395 VanDerWaalsContact O-NH1 3.1Å; L264-R395 PolarHBondContact O-NH2 2.93Å; E391-R395 WeakPolarHBondContact O-CB 3.18Å; E391-R395 VanDerWaalsContact O-CG 3.32Å; E391-R395 WeakPolarHBondContact O-CG 3.43Å; E391-R395 PolarHBondContact O-N 3.22Å; E391-R395 IonicContact OE2-CZ 2.63Å; E391-R395 IonicContact OE2-NE 2.69Å; E391-R395 PolarHBondContact OE2-NE 3.5Å; E391-R395 IonicContact OE2-NH2 3.86Å; E391-R395 PolarHBondContact OE2-NH2 2.8Å; Y393-R395 PolarHBondContact O-N 3.13Å; R395-R399 PolarHBondContact O-NE 3.47Å; R395-R399 VanDerWaalsContact O-NE 3.16Å
396Y95.8Very high96.2Very high5 Ų510.9 Ų10.92%0.025%0.054CC..THydrogen-bonded Turntrans-119.1-64.6-169.9-49.3-75.6000112.5L264 M392 F398 R399 I467 L468 D471 L473L264-Y396 HydrophobicContact CD2-CE2 4.09Å; M392-Y396 WeakPolarHBondContact O-CB 3.49Å; M392-Y396 PolarHBondContact O-N 3.47Å; M392-Y396 HydrophobicContact SD-CD2 4.22Å; M392-Y396 HydrophobicContact SD-CE2 4.41Å; Y396-F398 VanDerWaalsContact C-N 3.29Å; Y396-F398 PolarHBondContact O-N 3.27Å; Y396-F398 VanDerWaalsContact O-N 3.14Å; Y396-R399 VanDerWaalsContact O-CB 3.25Å; Y396-R399 WeakPolarHBondContact O-CB 3.15Å; Y396-R399 WeakPolarHBondContact O-CG 3.22Å; Y396-R399 PolarHBondContact O-N 2.92Å; Y396-I467 HydrophobicContact CD1-CG2 3.86Å; Y396-I467 HydrophobicContact CE1-CG2 4.16Å; Y396-I467 HydrophobicContact CG-CG2 4.06Å; Y396-L468 HydrophobicContact CD2-CD2 4.43Å; Y396-L468 HydrophobicContact CE2-CD2 3.52Å; Y396-D471 VanDerWaalsContact CE1-OD1 3.23Å; Y396-D471 WeakPolarHBondContact CE1-OD1 3.44Å; Y396-D471 PolarHBondContact OH-OD1 3.28Å; Y396-L473 WeakPolarHBondContact O-CD1 3.21Å
397F97.7Very high95.9Very high0 Ų015.4 Ų15.40%07%0.074CC..G310 helixtrans-65.2-28.1-163.4-59.2-37000114.6Y371 M392 Y393 R399 L400 A450 W464Y371-F397 HydrophobicContact CD1-CB 4.32Å; Y371-F397 HydrophobicContact CD1-CD1 4.05Å; Y371-F397 AromaticContact CD1-CD2 3.95Å; Y371-F397 HydrophobicContact CD1-CD2 3.95Å; Y371-F397 HydrophobicContact CD1-CE1 4.28Å; Y371-F397 HydrophobicContact CD1-CE2 4.17Å; Y371-F397 AromaticContact CD1-CG 3.87Å; Y371-F397 HydrophobicContact CD1-CG 3.87Å; Y371-F397 HydrophobicContact CD1-CZ 4.32Å; Y371-F397 HydrophobicContact CD2-CB 4.06Å; Y371-F397 HydrophobicContact CD2-CD2 4.24Å; Y371-F397 HydrophobicContact CD2-CG 4.31Å; Y371-F397 HydrophobicContact CE1-CB 4.21Å; Y371-F397 HydrophobicContact CE1-CD1 4.11Å; Y371-F397 HydrophobicContact CE1-CG 4.1Å; Y371-F397 HydrophobicContact CE2-CB 3.91Å; Y371-F397 HydrophobicContact CE2-CG 4.48Å; Y371-F397 HydrophobicContact CG-CB 4.26Å; Y371-F397 AromaticContact CG-CD2 3.75Å; Y371-F397 HydrophobicContact CG-CD2 3.75Å; Y371-F397 HydrophobicContact CG-CE2 4.15Å; Y371-F397 AromaticContact CG-CG 4Å; Y371-F397 HydrophobicContact CG-CG 4Å; M392-F397 HydrophobicContact CB-CD2 4.16Å; M392-F397 HydrophobicContact CB-CE2 3.85Å; M392-F397 HydrophobicContact CE-CE1 4.12Å; M392-F397 HydrophobicContact CE-CE2 3.92Å; M392-F397 HydrophobicContact CE-CZ 3.43Å; M392-F397 VanDerWaalsContact CE-CZ 3.43Å; M392-F397 PolarHBondContact O-N 3.46Å; Y393-F397 HydrophobicContact CD2-CB 3.99Å; Y393-F397 PolarHBondContact O-N 3.13Å; F397-R399 PolarHBondContact O-N 3.45Å; F397-R399 VanDerWaalsContact O-N 3.11Å; F397-L400 HydrophobicContact CD1-CD1 4.03Å; F397-L400 WeakPolarHBondContact O-CB 3.48Å; F397-L400 PolarHBondContact O-N 3.41Å; F397-A450 HydrophobicContact CE1-CB 4.11Å; F397-W464 HydrophobicContact CE1-CZ2 4.24Å; F397-W464 HydrophobicContact CE2-CH2 4.28Å; F397-W464 HydrophobicContact CZ-CD2 4.41Å; F397-W464 HydrophobicContact CZ-CE3 4.32Å; F397-W464 AromaticContact CZ-CH2 3.66Å; F397-W464 HydrophobicContact CZ-CH2 3.66Å; F397-W464 AromaticContact CZ-CZ2 3.72Å; F397-W464 HydrophobicContact CZ-CZ2 3.72Å; F397-W464 AromaticContact CZ-CZ3 3.98Å; F397-W464 HydrophobicContact CZ-CZ3 3.98Å
398F96.5Very high95.7Very high2 Ų216.2 Ų16.21%0.0098%0.08CC..G310 helixtrans-57.4-29.8174.984.4-94.2000112.7H331 Y334 N335 Y393 I394 Y396 L400 H401 S402H331-F398 AromaticContact CD2-CD2 3.81Å; H331-F398 AromaticContact CD2-CG 3.61Å; Y334-F398 HydrophobicContact CD2-CE1 4.44Å; Y334-F398 HydrophobicContact CD2-CZ 4.01Å; Y334-F398 AromaticContact CE2-CE1 3.86Å; Y334-F398 HydrophobicContact CE2-CE1 3.86Å; Y334-F398 AromaticContact CE2-CZ 3.89Å; Y334-F398 HydrophobicContact CE2-CZ 3.89Å; N335-F398 HydrophobicContact CB-CD2 3.85Å; N335-F398 HydrophobicContact CB-CE2 3.52Å; N335-F398 HydrophobicContact CB-CZ 4.36Å; N335-F398 VanDerWaalsContact CG-CE2 3.43Å; N335-F398 WeakPolarHBondContact ND2-CD2 3.43Å; Y393-F398 HydrophobicContact CD1-CB 4.47Å; Y393-F398 HydrophobicContact CE1-CB 3.95Å; Y393-F398 WeakPolarHBondContact O-CD1 3.29Å; Y393-F398 PolarHBondContact O-N 2.92Å; I394-F398 WeakPolarHBondContact O-CD1 3.5Å; I394-F398 WeakPolarHBondContact O-CE1 3.19Å; Y396-F398 VanDerWaalsContact C-N 3.29Å; Y396-F398 PolarHBondContact O-N 3.27Å; Y396-F398 VanDerWaalsContact O-N 3.14Å; F398-L400 PolarHBondContact O-N 3.1Å; F398-H401 PolarHBondContact O-N 2.69Å; F398-H401 PolarHBondContact O-ND1 3.36Å; F398-S402 WeakPolarHBondContact O-CB 3.27Å; F398-S402 PolarHBondContact O-N 3.4Å; F398-S402 PolarHBondContact O-OG 3.45Å
399R96.4Very high95.6Very high55 Ų5516.2 Ų16.221%0.2088%0.08CC..G310 helixtrans-71-19.2-179-58.7-178.2-178.9-87.7-1.6112.7R395 Y396 F397 H401 S406 I410 L473R395-R399 PolarHBondContact O-NE 3.47Å; R395-R399 VanDerWaalsContact O-NE 3.16Å; Y396-R399 VanDerWaalsContact O-CB 3.25Å; Y396-R399 WeakPolarHBondContact O-CB 3.15Å; Y396-R399 WeakPolarHBondContact O-CG 3.22Å; Y396-R399 PolarHBondContact O-N 2.92Å; F397-R399 PolarHBondContact O-N 3.45Å; F397-R399 VanDerWaalsContact O-N 3.11Å; R399-H401 VanDerWaalsContact C-N 3.3Å; R399-S406 PolarHBondContact NH1-OG 2.71Å; R399-I410 PolarHBondContact O-N 2.66Å; R399-L473 HydrophobicContact CB-CD1 4.01Å
400L98.1Very high95.6Very high0 Ų016.2 Ų16.20%08%0.08CC..G310 helixtrans-79.8-13.4-179.7-61.8178.5000113Y371 F397 F398 I410 L413 V448 A450 L473Y371-L400 HydrophobicContact CE1-CD1 4.15Å; F397-L400 HydrophobicContact CD1-CD1 4.03Å; F397-L400 WeakPolarHBondContact O-CB 3.48Å; F397-L400 PolarHBondContact O-N 3.41Å; F398-L400 PolarHBondContact O-N 3.1Å; L400-I410 HydrophobicContact CD2-CD1 4.44Å; L400-I410 WeakPolarHBondContact O-CG1 3.48Å; L400-L413 HydrophobicContact CD2-CD1 3.67Å; L400-V448 WeakPolarHBondContact CD1-O 3.4Å; L400-A450 HydrophobicContact CD1-CB 3.94Å; L400-L473 HydrophobicContact CD2-CD1 3.85Å; L400-L473 HydrophobicContact CD2-CD2 4.42Å; L400-L473 HydrophobicContact CG-CD1 4.07Å
401H96.3Very high95.7Very high19 Ų1914.4 Ų14.49%0.0887%0.073CC..G310 helixtrans-135.526.8179.964.160.3000112.7F157 F365 Y393 F398 R399F157-H401 HydrophobicContact CE1-CB 4.47Å; F365-H401 AromaticContact CE1-CD2 3.84Å; Y393-H401 AromaticContact CE2-NE2 3.37Å; Y393-H401 WeakPolarHBondContact CE2-NE2 3.45Å; Y393-H401 AromaticContact CZ-CE1 3.86Å; Y393-H401 AromaticContact CZ-NE2 3.49Å; Y393-H401 PolarHBondContact OH-CE1 3.44Å; Y393-H401 PolarHBondContact OH-NE2 3.01Å; F398-H401 PolarHBondContact O-N 2.69Å; F398-H401 PolarHBondContact O-ND1 3.36Å; R399-H401 VanDerWaalsContact C-N 3.3Å
402S95.8Very high95.7Very high2 Ų214.3 Ų14.31%0.0147%0.073CC..SBendtrans-128135.7175.1-54.40000109.8N335 F398 S404 I410N335-S402 PolarHBondContact ND2-OG 2.73Å; N335-S402 WeakPolarHBondContact OD1-CB 3.21Å; N335-S402 PolarHBondContact OD1-OG 3.33Å; F398-S402 WeakPolarHBondContact O-CB 3.27Å; F398-S402 PolarHBondContact O-N 3.4Å; F398-S402 PolarHBondContact O-OG 3.45Å; S402-S404 PolarHBondContact O-N 2.72Å; S402-I410 WeakPolarHBondContact O-CG2 3.38Å
403I97.3Very high95.8Very high0 Ų014.3 Ų14.30%07%0.073CC..  trans-81.9112.1177.7-53.7178.1000107.8M93 A96 Q97 W100 F157 V160 L161 L164 S336 V411M93-I403 HydrophobicContact SD-CG2 3.87Å; A96-I403 HydrophobicContact CB-CD1 4.18Å; A96-I403 HydrophobicContact CB-CG2 4.35Å; Q97-I403 HydrophobicContact CB-CB 4.15Å; W100-I403 HydrophobicContact CB-CD1 4.11Å; W100-I403 HydrophobicContact CG-CD1 4.47Å; F157-I403 HydrophobicContact CE2-CD1 4.1Å; F157-I403 HydrophobicContact CE2-CG1 3.69Å; F157-I403 HydrophobicContact CZ-CG1 3.98Å; V160-I403 HydrophobicContact CG1-CD1 3.67Å; L161-I403 HydrophobicContact CD2-CD1 4.13Å; L161-I403 HydrophobicContact CD2-CG1 3.78Å; L164-I403 HydrophobicContact CD1-CG2 3.99Å; L164-I403 HydrophobicContact CD2-CG2 4.12Å; S336-I403 WeakPolarHBondContact CB-O 3.37Å; S336-I403 PolarHBondContact OG-O 3.5Å; I403-V411 HydrophobicContact CG2-CG2 4.16Å
404S94.8Very high95.9Very high9 Ų914.2 Ų14.26%0.0637%0.072CC..  trans-151.4164.4178.6640000111.6E88 S402 S406E88-S404 WeakPolarHBondContact OE2-CA 3.5Å; E88-S404 WeakPolarHBondContact OE2-CB 3.45Å; S402-S404 PolarHBondContact O-N 2.72Å; S404-S406 PolarHBondContact O-N 3.26Å
405S93.6Very high95.9Very high31 Ų3114.6 Ų14.622%0.2177%0.074CC..  trans-83.56.5173.477.20000113.8E88E88-S405 WeakPolarHBondContact OE1-CB 3.46Å; E88-S405 PolarHBondContact OE1-OG 3.13Å; E88-S405 PolarHBondContact OE2-N 3.16Å
406S92.1Very high96.1Very high28 Ų2814 Ų1420%0.1967%0.072CC..  trans-61.7137.5-179.9170.30000111.3R399 S404 S408 G409 S412R399-S406 PolarHBondContact NH1-OG 2.71Å; S404-S406 PolarHBondContact O-N 3.26Å; S406-S408 VanDerWaalsContact C-N 3.3Å; S406-S408 PolarHBondContact O-N 2.87Å; S406-S408 PolarHBondContact OG-N 3.41Å; S406-G409 WeakPolarHBondContact O-CA 3.44Å; S406-G409 PolarHBondContact O-N 2.96Å; S406-G409 PolarHBondContact OG-N 3.21Å; S406-S412 VanDerWaalsContact O-CB 3.23Å; S406-S412 WeakPolarHBondContact O-CB 3.41Å; S406-S412 PolarHBondContact O-OG 3.32Å
407F91.8Very high96.3Very high99 Ų9913.8 Ų13.843%0.4347%0.071SC..THydrogen-bonded Turntrans-58.5-39.9175.2-65.7-81.9000112.6N189 G409 S412N189-F407 HydrophobicContact CB-CE1 4.02Å; N189-F407 HydrophobicContact CB-CZ 4.44Å; N189-F407 VanDerWaalsContact O-CD1 3.25Å; N189-F407 WeakPolarHBondContact O-CD1 3.31Å; N189-F407 WeakPolarHBondContact O-CE1 3.47Å; F407-G409 VanDerWaalsContact C-N 3.27Å; F407-G409 PolarHBondContact O-N 3.39Å; F407-S412 WeakPolarHBondContact O-CB 3.17Å
408S93Very high96.2Very high21 Ų2113.9 Ų13.915%0.1477%0.072CC..THydrogen-bonded Turntrans-86.911.8173.4-48.70000113.8S406 S472 L473S406-S408 VanDerWaalsContact C-N 3.3Å; S406-S408 PolarHBondContact O-N 2.87Å; S406-S408 PolarHBondContact OG-N 3.41Å; S408-S472 PolarHBondContact OG-OG 3.07Å; S408-L473 WeakPolarHBondContact O-CD1 3.23Å
409G96Very high96.1Very high0 Ų019.8 Ų19.80%09%0.094CC..SBendtrans-86.4149.8177.800000111.9S406 F407 V411 S412 L413S406-G409 WeakPolarHBondContact O-CA 3.44Å; S406-G409 PolarHBondContact O-N 2.96Å; S406-G409 PolarHBondContact OG-N 3.21Å; F407-G409 VanDerWaalsContact C-N 3.27Å; F407-G409 PolarHBondContact O-N 3.39Å; G409-V411 PolarHBondContact O-N 3.23Å; G409-S412 WeakPolarHBondContact O-CB 3.39Å; G409-S412 PolarHBondContact O-N 3.18Å; G409-L413 WeakPolarHBondContact O-CG 3.48Å; G409-L413 PolarHBondContact O-N 3.37Å
410I98.1Very high96.1Very high0 Ų017.3 Ų17.30%09%0.085CC..Hα-helixtrans-52.6-34.9-174.5-168.460.3000114.3F157 L161 R399 L400 S402 L413 C414 F444 M447 V448F157-I410 HydrophobicContact CE1-CG1 4.46Å; F157-I410 HydrophobicContact CE1-CG2 3.84Å; F157-I410 HydrophobicContact CZ-CG2 4.02Å; L161-I410 HydrophobicContact CD1-CG1 4.14Å; L161-I410 HydrophobicContact CD1-CG2 4.06Å; R399-I410 PolarHBondContact O-N 2.66Å; L400-I410 HydrophobicContact CD2-CD1 4.44Å; L400-I410 WeakPolarHBondContact O-CG1 3.48Å; S402-I410 WeakPolarHBondContact O-CG2 3.38Å; I410-L413 PolarHBondContact O-N 2.94Å; I410-C414 WeakPolarHBondContact O-CB 3.29Å; I410-C414 PolarHBondContact O-N 3.1Å; I410-C414 PolarHBondContact O-SG 2.76Å; I410-F444 HydrophobicContact CD1-CE2 4.04Å; I410-F444 HydrophobicContact CG1-CE2 3.75Å; I410-F444 HydrophobicContact CG1-CZ 4.18Å; I410-M447 HydrophobicContact CD1-CB 4.22Å; I410-V448 HydrophobicContact CD1-CG2 3.93Å; I410-V448 HydrophobicContact CG1-CG2 4.31Å
411V97.9Very high95.9Very high0 Ų017.3 Ų17.30%09%0.085CC..Hα-helixtrans-63.2-48.7177.9-174.50000110.7M93 L161 L164 I184 V186 L188 I403 G409 C414 L415M93-V411 HydrophobicContact CE-CG1 3.99Å; L161-V411 HydrophobicContact CD2-CG2 4.03Å; L164-V411 HydrophobicContact CD1-CG1 4.16Å; L164-V411 HydrophobicContact CD1-CG2 4.05Å; I184-V411 HydrophobicContact CG2-CG1 4.23Å; V186-V411 HydrophobicContact CG2-CG1 3.77Å; L188-V411 HydrophobicContact CD1-CB 4.3Å; L188-V411 HydrophobicContact CD1-CG1 3.8Å; I403-V411 HydrophobicContact CG2-CG2 4.16Å; G409-V411 PolarHBondContact O-N 3.23Å; V411-C414 PolarHBondContact O-N 3.23Å; V411-L415 PolarHBondContact O-N 3.43Å
412S97.3Very high95.8Very high1 Ų118.1 Ų18.11%0.0079%0.089CC..Hα-helixtrans-65.5-38.8177.1-56.80000111.8S406 F407 G409 L415 Q416S406-S412 VanDerWaalsContact O-CB 3.23Å; S406-S412 WeakPolarHBondContact O-CB 3.41Å; S406-S412 PolarHBondContact O-OG 3.32Å; F407-S412 WeakPolarHBondContact O-CB 3.17Å; G409-S412 WeakPolarHBondContact O-CB 3.39Å; G409-S412 PolarHBondContact O-N 3.18Å; S412-L415 PolarHBondContact O-N 3.11Å; S412-Q416 VanDerWaalsContact O-CB 3.23Å; S412-Q416 WeakPolarHBondContact O-CB 3.45Å; S412-Q416 PolarHBondContact O-N 3.49Å
413L98.6Very high95.6Very high0 Ų021.3 Ų21.30%011%0.108CC..Hα-helixtrans-63.2-42.1175.8-62.2-179.8000112L400 G409 I410 Q416 F417 L473 E474 A477L400-L413 HydrophobicContact CD2-CD1 3.67Å; G409-L413 WeakPolarHBondContact O-CG 3.48Å; G409-L413 PolarHBondContact O-N 3.37Å; I410-L413 PolarHBondContact O-N 2.94Å; L413-Q416 PolarHBondContact O-N 3.34Å; L413-F417 WeakPolarHBondContact O-CB 3.45Å; L413-F417 PolarHBondContact O-N 3.21Å; L413-L473 HydrophobicContact CD1-CB 3.93Å; L413-L473 HydrophobicContact CD2-CB 4.39Å; L413-L473 WeakPolarHBondContact CD2-O 3.31Å; L413-E474 HydrophobicContact CD2-CB 4.46Å; L413-E474 HydrophobicContact CD2-CG 4.25Å; L413-A477 HydrophobicContact CB-CB 4.23Å; L413-A477 HydrophobicContact CD2-CB 4.23Å; L413-A477 WeakPolarHBondContact O-CB 3.44Å
414C98.4Very high95.3Very high0 Ų023 Ų230%012%0.116CC..Hα-helixtrans-63-45.9175.4-66.10000111.3I184 I410 V411 Q416 F417 E418 L440I184-C414 HydrophobicContact CG1-CB 3.72Å; I410-C414 WeakPolarHBondContact O-CB 3.29Å; I410-C414 PolarHBondContact O-N 3.1Å; I410-C414 PolarHBondContact O-SG 2.76Å; V411-C414 PolarHBondContact O-N 3.23Å; C414-Q416 VanDerWaalsContact C-N 3.34Å; C414-Q416 PolarHBondContact O-N 3.03Å; C414-F417 PolarHBondContact O-N 3.16Å; C414-E418 WeakPolarHBondContact O-CG 3.25Å; C414-E418 PolarHBondContact O-N 2.87Å; C414-L440 HydrophobicContact CB-CD1 3.82Å; C414-L440 HydrophobicContact CB-CD2 3.93Å
415L96.5Very high95.2Very high20 Ų2024.7 Ų24.711%0.10512%0.124CC..Hα-helixtrans-63.2-41.4177.4-174.663.8000111.6I184 L188 I190 V411 S412 E418 R419I184-L415 HydrophobicContact CG2-CB 4.24Å; I184-L415 HydrophobicContact CG2-CD1 4.41Å; L188-L415 HydrophobicContact CB-CD2 4Å; I190-L415 HydrophobicContact CD1-CD2 4.38Å; I190-L415 HydrophobicContact CD1-CG 3.92Å; I190-L415 HydrophobicContact CG1-CD2 4.39Å; I190-L415 HydrophobicContact CG1-CG 4.46Å; I190-L415 HydrophobicContact CG2-CB 4.35Å; I190-L415 HydrophobicContact CG2-CD2 3.99Å; I190-L415 HydrophobicContact CG2-CG 4.29Å; V411-L415 PolarHBondContact O-N 3.43Å; S412-L415 PolarHBondContact O-N 3.11Å; L415-E418 PolarHBondContact O-N 3.34Å; L415-R419 VanDerWaalsContact O-CB 3.28Å; L415-R419 WeakPolarHBondContact O-CB 3.21Å; L415-R419 PolarHBondContact O-N 3.15Å
416Q97.2Very high95.3Very high2 Ų225.9 Ų25.91%0.00913%0.131CC..Hα-helixtrans-62.6-48.7176.8-176.1169.86000111.1I190 S412 L413 C414 E418 R419 L420 E474 A477I190-Q416 HydrophobicContact CB-CB 4.47Å; I190-Q416 HydrophobicContact CD1-CB 4.35Å; I190-Q416 HydrophobicContact CG2-CB 4.44Å; S412-Q416 VanDerWaalsContact O-CB 3.23Å; S412-Q416 WeakPolarHBondContact O-CB 3.45Å; S412-Q416 PolarHBondContact O-N 3.49Å; L413-Q416 PolarHBondContact O-N 3.34Å; C414-Q416 VanDerWaalsContact C-N 3.34Å; C414-Q416 PolarHBondContact O-N 3.03Å; Q416-E418 PolarHBondContact O-N 2.89Å; Q416-R419 PolarHBondContact O-N 2.7Å; Q416-L420 HydrophobicContact CG-CD1 3.94Å; Q416-L420 HydrophobicContact CG-CG 4.28Å; Q416-L420 VanDerWaalsContact O-CB 3.31Å; Q416-L420 WeakPolarHBondContact O-CB 3.47Å; Q416-L420 WeakPolarHBondContact O-CG 3.37Å; Q416-L420 PolarHBondContact O-N 2.86Å; Q416-E474 PolarHBondContact NE2-OE1 3.38Å; Q416-A477 HydrophobicContact CB-CB 4.19Å; Q416-A477 HydrophobicContact CG-CB 4.22Å
417F98.1Very high95.5Very high0 Ų031.9 Ų31.90%016%0.156CC..Hα-helixtrans-54.3-49.7174.3165-100.1000112L413 C414 R419 L420 L421 P439 L440 A443 M447 A477 A480 A481 F484L413-F417 WeakPolarHBondContact O-CB 3.45Å; L413-F417 PolarHBondContact O-N 3.21Å; C414-F417 PolarHBondContact O-N 3.16Å; F417-R419 PolarHBondContact O-N 3.3Å; F417-L420 PolarHBondContact O-N 3.46Å; F417-L421 HydrophobicContact CZ-CD2 4.09Å; F417-L421 PolarHBondContact O-N 3.26Å; F417-P439 HydrophobicContact CE1-CB 3.89Å; F417-P439 HydrophobicContact CZ-CB 3.88Å; F417-L440 HydrophobicContact CD1-CB 4.39Å; F417-L440 HydrophobicContact CD1-CD1 4Å; F417-L440 HydrophobicContact CE1-CB 4.21Å; F417-L440 HydrophobicContact CE1-CD1 4.46Å; F417-A443 HydrophobicContact CD1-CB 4.48Å; F417-A443 HydrophobicContact CE1-CB 3.96Å; F417-A443 HydrophobicContact CE2-CB 3.99Å; F417-A443 HydrophobicContact CZ-CB 3.68Å; F417-M447 HydrophobicContact CB-CE 4.35Å; F417-M447 HydrophobicContact CB-SD 4.14Å; F417-M447 HydrophobicContact CG-CE 4.45Å; F417-A477 HydrophobicContact CB-CB 4.25Å; F417-A480 HydrophobicContact CD2-CB 3.6Å; F417-A480 HydrophobicContact CE2-CB 3.91Å; F417-A480 HydrophobicContact CG-CB 4.49Å; F417-A481 HydrophobicContact CD2-CB 4.1Å; F417-A481 HydrophobicContact CE2-CB 4.46Å; F417-F484 AromaticContact CE2-CD2 3.88Å; F417-F484 HydrophobicContact CE2-CD2 3.88Å; F417-F484 HydrophobicContact CE2-CE2 4.09Å; F417-F484 AromaticContact CZ-CD2 3.94Å; F417-F484 HydrophobicContact CZ-CD2 3.94Å; F417-F484 AromaticContact CZ-CE2 3.79Å; F417-F484 HydrophobicContact CZ-CE2 3.79Å; F417-F484 HydrophobicContact CZ-CZ 4.24Å
418E96.5Very high95.7Very high2 Ų227.4 Ų27.41%0.00914%0.137CC..Hα-helixtrans-63.8-42.7-179.8-70.4-174.6145.800112G182 L183 I184 C414 L415 Q416 L421 Q422 F429 L440G182-E418 WeakPolarHBondContact CA-OE1 3.39Å; G182-E418 WeakPolarHBondContact CA-OE2 3.3Å; L183-E418 VanDerWaalsContact N-CD 3.34Å; L183-E418 PolarHBondContact N-OE1 3.48Å; L183-E418 PolarHBondContact N-OE2 2.87Å; I184-E418 PolarHBondContact N-OE2 2.73Å; I184-E418 VanDerWaalsContact N-OE2 3.09Å; C414-E418 WeakPolarHBondContact O-CG 3.25Å; C414-E418 PolarHBondContact O-N 2.87Å; L415-E418 PolarHBondContact O-N 3.34Å; Q416-E418 PolarHBondContact O-N 2.89Å; E418-L421 PolarHBondContact O-N 3.12Å; E418-Q422 WeakPolarHBondContact O-CB 3.4Å; E418-Q422 WeakPolarHBondContact O-CG 3.38Å; E418-Q422 PolarHBondContact O-N 2.96Å; E418-F429 HydrophobicContact CB-CE2 4.49Å; E418-L440 HydrophobicContact CG-CB 4.2Å; E418-L440 HydrophobicContact CG-CD2 4.44Å; E418-L440 WeakPolarHBondContact OE1-CB 3.3Å; E418-L440 WeakPolarHBondContact OE1-CD2 3.49Å
419R94.8Very high95.9Very high126 Ų12626.4 Ų26.448%0.47513%0.13SC..Hα-helixtrans-64-44.3178.5-178.564.1173.2-166.5-1.2111.9I190 L415 Q416 F417 Q422 T423I190-R419 HydrophobicContact CD1-CB 3.46Å; I190-R419 VanDerWaalsContact CD1-CB 3.46Å; I190-R419 HydrophobicContact CD1-CG 3.72Å; L415-R419 VanDerWaalsContact O-CB 3.28Å; L415-R419 WeakPolarHBondContact O-CB 3.21Å; L415-R419 PolarHBondContact O-N 3.15Å; Q416-R419 PolarHBondContact O-N 2.7Å; F417-R419 PolarHBondContact O-N 3.3Å; R419-Q422 PolarHBondContact O-N 3.17Å; R419-T423 VanDerWaalsContact O-CB 3.32Å; R419-T423 WeakPolarHBondContact O-CB 3.2Å; R419-T423 PolarHBondContact O-N 3.19Å; R419-T423 PolarHBondContact O-OG1 3.12Å
420L95.6Very high95.9Very high4 Ų431.4 Ų31.42%0.02115%0.149CC..Hα-helixtrans-58.9-51176.6-74.1176.9000110.3I193 L196 Q416 F417 Q422 T423 H424 V478 A481 F519I193-L420 HydrophobicContact CD1-CD2 3.41Å; I193-L420 VanDerWaalsContact CD1-CD2 3.41Å; I193-L420 HydrophobicContact CG1-CD2 3.71Å; L196-L420 HydrophobicContact CD1-CD1 4.25Å; L196-L420 HydrophobicContact CD1-CD2 3.87Å; Q416-L420 HydrophobicContact CG-CD1 3.94Å; Q416-L420 HydrophobicContact CG-CG 4.28Å; Q416-L420 VanDerWaalsContact O-CB 3.31Å; Q416-L420 WeakPolarHBondContact O-CB 3.47Å; Q416-L420 WeakPolarHBondContact O-CG 3.37Å; Q416-L420 PolarHBondContact O-N 2.86Å; F417-L420 PolarHBondContact O-N 3.46Å; L420-Q422 PolarHBondContact O-N 3.45Å; L420-T423 PolarHBondContact O-N 3.38Å; L420-H424 PolarHBondContact O-CD2 3.44Å; L420-H424 VanDerWaalsContact O-CD2 3.26Å; L420-H424 PolarHBondContact O-N 2.85Å; L420-V478 HydrophobicContact CD1-CG2 4.12Å; L420-A481 HydrophobicContact CB-CB 3.88Å; L420-A481 HydrophobicContact CD1-CB 4.17Å; L420-F519 HydrophobicContact CB-CE1 4.3Å; L420-F519 HydrophobicContact CB-CZ 4.09Å; L420-F519 HydrophobicContact CD1-CE1 4.18Å; L420-F519 HydrophobicContact CD2-CE1 4.19Å; L420-F519 HydrophobicContact CG-CE1 4.47Å
421L94.6Very high95.8Very high0 Ų032.9 Ų32.90%016%0.156CC..Hα-helixtrans-66.3-39.9-178.1-166.663.7000112.4F417 E418 T423 L425 L428 F429 P439 F484F417-L421 HydrophobicContact CZ-CD2 4.09Å; F417-L421 PolarHBondContact O-N 3.26Å; E418-L421 PolarHBondContact O-N 3.12Å; L421-T423 VanDerWaalsContact C-N 3.3Å; L421-T423 PolarHBondContact O-N 2.9Å; L421-L425 HydrophobicContact CD1-CB 4.08Å; L421-L425 HydrophobicContact CD1-CD1 3.86Å; L421-L425 HydrophobicContact CD1-CG 4.49Å; L421-L425 CarbonylContact O-C 3.6Å; L421-L425 WeakPolarHBondContact O-CA 3.11Å; L421-L425 PolarHBondContact O-N 3.15Å; L421-L428 HydrophobicContact CD1-CD2 4.48Å; L421-F429 HydrophobicContact CB-CD2 4.04Å; L421-F429 HydrophobicContact CD2-CD2 3.76Å; L421-F429 HydrophobicContact CD2-CE2 4.33Å; L421-F429 HydrophobicContact CG-CD2 3.9Å; L421-P439 HydrophobicContact CD2-CB 3.6Å; L421-P439 HydrophobicContact CD2-CG 3.79Å; L421-F484 HydrophobicContact CD1-CB 3.74Å; L421-F484 HydrophobicContact CD1-CG 4.45Å; L421-F484 HydrophobicContact CD2-CB 4.36Å; L421-F484 HydrophobicContact CD2-CD1 4Å; L421-F484 HydrophobicContact CD2-CG 4.2Å
422Q93.6Very high95.8Very high35 Ų3532.9 Ų32.916%0.16416%0.156CC..Hα-helixtrans-65.5-32.7175.2-73.1169.837.300112.9E418 R419 L420 P426 F429E418-Q422 WeakPolarHBondContact O-CB 3.4Å; E418-Q422 WeakPolarHBondContact O-CG 3.38Å; E418-Q422 PolarHBondContact O-N 2.96Å; R419-Q422 PolarHBondContact O-N 3.17Å; L420-Q422 PolarHBondContact O-N 3.45Å; Q422-P426 WeakPolarHBondContact O-CB 3.46Å; Q422-F429 HydrophobicContact CG-CD1 4.13Å; Q422-F429 HydrophobicContact CG-CD2 3.64Å; Q422-F429 HydrophobicContact CG-CE1 4.35Å; Q422-F429 HydrophobicContact CG-CE2 3.85Å; Q422-F429 HydrophobicContact CG-CG 3.81Å; Q422-F429 HydrophobicContact CG-CZ 4.22Å
423T91.6Very high95.7Very high69 Ų6937.6 Ų37.642%0.42317%0.174SC..Hα-helixtrans-76.8-44.7-179.7-55.50000111.1R419 L420 L421R419-T423 VanDerWaalsContact O-CB 3.32Å; R419-T423 WeakPolarHBondContact O-CB 3.2Å; R419-T423 PolarHBondContact O-N 3.19Å; R419-T423 PolarHBondContact O-OG1 3.12Å; L420-T423 PolarHBondContact O-N 3.38Å; L421-T423 VanDerWaalsContact C-N 3.3Å; L421-T423 PolarHBondContact O-N 2.9Å
424H91.1Very high95.6Very high37 Ų3743.4 Ų43.417%0.17120%0.201CC..Hα-helixtrans-84.5-38-176.6-76.6-87000114I193 L420 P426 F519 T523 I525I193-H424 WeakPolarHBondContact CD1-NE2 3.37Å; I193-H424 VanDerWaalsContact CG1-NE2 3.29Å; I193-H424 WeakPolarHBondContact CG1-NE2 3.34Å; L420-H424 PolarHBondContact O-CD2 3.44Å; L420-H424 VanDerWaalsContact O-CD2 3.26Å; L420-H424 PolarHBondContact O-N 2.85Å; H424-P426 VanDerWaalsContact C-CD 3.46Å; H424-F519 HydrophobicContact CB-CE2 4.29Å; H424-F519 HydrophobicContact CB-CZ 4.5Å; H424-F519 AromaticContact CD2-CE2 3.94Å; H424-F519 AromaticContact CD2-CZ 3.43Å; H424-F519 VanDerWaalsContact CD2-CZ 3.43Å; H424-F519 WeakPolarHBondContact CD2-CZ 3.26Å; H424-F519 AromaticContact CG-CZ 3.98Å; H424-F519 AromaticContact NE2-CE1 4Å; H424-F519 AromaticContact NE2-CZ 3.75Å; H424-T523 PolarHBondContact CE1-OG1 3.21Å; H424-T523 VanDerWaalsContact CE1-OG1 3.27Å; H424-I525 WeakPolarHBondContact CE1-CD1 3.48Å; H424-I525 VanDerWaalsContact CE1-CG1 3.47Å; H424-I525 WeakPolarHBondContact CE1-CG1 3.41Å; H424-I525 WeakPolarHBondContact NE2-CD1 3.44Å
425L93.8Very high95.5Very high44 Ų4445.4 Ų45.423%0.2321%0.211CC..  trans-135.858-169.5-60.4169.1000110.8L421 Q427 L428 F429 A485 A488L421-L425 HydrophobicContact CD1-CB 4.08Å; L421-L425 HydrophobicContact CD1-CD1 3.86Å; L421-L425 HydrophobicContact CD1-CG 4.49Å; L421-L425 CarbonylContact O-C 3.6Å; L421-L425 WeakPolarHBondContact O-CA 3.11Å; L421-L425 PolarHBondContact O-N 3.15Å; L425-Q427 VanDerWaalsContact C-N 3.28Å; L425-Q427 PolarHBondContact O-N 2.82Å; L425-L428 HydrophobicContact CB-CB 3.96Å; L425-L428 HydrophobicContact CB-CD2 4.3Å; L425-L428 HydrophobicContact CD1-CD2 3.97Å; L425-L428 PolarHBondContact O-N 3.23Å; L425-F429 PolarHBondContact O-N 3.18Å; L425-A485 VanDerWaalsContact CD1-CA 3.41Å; L425-A485 HydrophobicContact CD1-CB 3.61Å; L425-A488 HydrophobicContact CD1-CB 4.28Å
426P94.6Very high95.4Very high56 Ų5646.6 Ų46.636%0.36423%0.229SC..Hα-helixtrans-60.1-36.9-176.822.6-33000112.8W181 Q422 H424 F429 Y430W181-P426 HydrophobicContact CZ3-CB 4.39Å; Q422-P426 WeakPolarHBondContact O-CB 3.46Å; H424-P426 VanDerWaalsContact C-CD 3.46Å; P426-F429 PolarHBondContact O-N 3.46Å; P426-Y430 WeakPolarHBondContact O-CB 3.06Å; P426-Y430 PolarHBondContact O-N 3.36Å
427Q95.8Very high95.4Very high154 Ų15446.5 Ų46.572%0.7223%0.228SC*.Hα-helixtrans-65.3-46.1178.4-68179-8.300111.5L425 Y430 H431L425-Q427 VanDerWaalsContact C-N 3.28Å; L425-Q427 PolarHBondContact O-N 2.82Å; Q427-Y430 PolarHBondContact O-N 3.47Å; Q427-H431 WeakPolarHBondContact O-CB 3.03Å; Q427-H431 PolarHBondContact O-N 3.33Å
428L96.6Very high95.2Very high5 Ų548 Ų483%0.02624%0.235CC..Hα-helixtrans-61.3-46.4175.6176.663.2000111.3L421 L425 Y430 H431 L432 A488 L491 M492L421-L428 HydrophobicContact CD1-CD2 4.48Å; L425-L428 HydrophobicContact CB-CB 3.96Å; L425-L428 HydrophobicContact CB-CD2 4.3Å; L425-L428 HydrophobicContact CD1-CD2 3.97Å; L425-L428 PolarHBondContact O-N 3.23Å; L428-Y430 VanDerWaalsContact C-N 3.3Å; L428-Y430 PolarHBondContact O-N 3Å; L428-H431 PolarHBondContact O-N 3.24Å; L428-L432 HydrophobicContact CD1-CD1 3.89Å; L428-L432 HydrophobicContact CD1-CD2 4.5Å; L428-L432 HydrophobicContact CD1-CG 3.91Å; L428-L432 HydrophobicContact CG-CD1 3.98Å; L428-L432 HydrophobicContact CG-CG 4.35Å; L428-L432 WeakPolarHBondContact O-CB 3.46Å; L428-L432 WeakPolarHBondContact O-CG 3.28Å; L428-L432 PolarHBondContact O-N 2.97Å; L428-A488 HydrophobicContact CD2-CB 3.95Å; L428-L491 HydrophobicContact CD1-CB 3.53Å; L428-L491 HydrophobicContact CD1-CD1 4.49Å; L428-L491 HydrophobicContact CD2-CD1 4.31Å; L428-M492 VanDerWaalsContact CA-SD 3.55Å; L428-M492 HydrophobicContact CB-SD 3.98Å; L428-M492 HydrophobicContact CD1-CG 4.14Å; L428-M492 HydrophobicContact CD1-SD 3.82Å
429F96.9Very high95.3Very high0 Ų047.9 Ų47.90%023%0.234CC..Hα-helixtrans-57.5-47.1178.2-165.8-71.3000110.9W181 E418 L421 Q422 L425 P426 R433 P439W181-F429 HydrophobicContact CB-CD1 3.96Å; W181-F429 HydrophobicContact CB-CE1 3.64Å; W181-F429 HydrophobicContact CE3-CD1 4.36Å; W181-F429 VanDerWaalsContact O-CE1 3.28Å; W181-F429 WeakPolarHBondContact O-CE1 3.41Å; E418-F429 HydrophobicContact CB-CE2 4.49Å; L421-F429 HydrophobicContact CB-CD2 4.04Å; L421-F429 HydrophobicContact CD2-CD2 3.76Å; L421-F429 HydrophobicContact CD2-CE2 4.33Å; L421-F429 HydrophobicContact CG-CD2 3.9Å; Q422-F429 HydrophobicContact CG-CD1 4.13Å; Q422-F429 HydrophobicContact CG-CD2 3.64Å; Q422-F429 HydrophobicContact CG-CE1 4.35Å; Q422-F429 HydrophobicContact CG-CE2 3.85Å; Q422-F429 HydrophobicContact CG-CG 3.81Å; Q422-F429 HydrophobicContact CG-CZ 4.22Å; L425-F429 PolarHBondContact O-N 3.18Å; P426-F429 PolarHBondContact O-N 3.46Å; F429-R433 WeakPolarHBondContact O-CB 3.21Å; F429-R433 PolarHBondContact O-N 3.2Å; F429-P439 HydrophobicContact CD2-CG 4.01Å; F429-P439 HydrophobicContact CE2-CB 4.41Å; F429-P439 HydrophobicContact CE2-CG 3.95Å; F429-P439 HydrophobicContact CG-CG 4.48Å; F429-P439 HydrophobicContact CZ-CG 4.36Å
430Y95.8Very high95.4Very high105 Ų10541.9 Ų41.941%0.41221%0.212SC..Hα-helixtrans-63.3-47.1179-178.2-99.5000112.1W181 P426 Q427 L428 R433 Q434W181-Y430 HydrophobicContact CH2-CD2 4.37Å; W181-Y430 HydrophobicContact CZ2-CD2 4.35Å; P426-Y430 WeakPolarHBondContact O-CB 3.06Å; P426-Y430 PolarHBondContact O-N 3.36Å; Q427-Y430 PolarHBondContact O-N 3.47Å; L428-Y430 VanDerWaalsContact C-N 3.3Å; L428-Y430 PolarHBondContact O-N 3Å; Y430-R433 WeakPolarHBondContact O-CB 3.47Å; Y430-R433 PolarHBondContact O-N 3.15Å; Y430-Q434 HydrophobicContact CD1-CG 4.22Å; Y430-Q434 HydrophobicContact CE1-CG 3.83Å; Y430-Q434 VanDerWaalsContact CE1-NE2 3.26Å; Y430-Q434 VanDerWaalsContact CE1-OE1 3.28Å; Y430-Q434 HydrophobicContact CE2-CG 4.49Å; Y430-Q434 WeakPolarHBondContact O-CG 3.41Å; Y430-Q434 PolarHBondContact O-N 2.97Å; Y430-Q434 PolarHBondContact OH-NE2 3.44Å; Y430-Q434 VanDerWaalsContact OH-NE2 3.07Å
431H97.4Very high95.5Very high31 Ų3146.3 Ų46.314%0.14423%0.228CC..Hα-helixtrans-55.7-54.2176.317262.4000112Q427 L428 R433 Q434 I435 L491 M492 V494Q427-H431 WeakPolarHBondContact O-CB 3.03Å; Q427-H431 PolarHBondContact O-N 3.33Å; L428-H431 PolarHBondContact O-N 3.24Å; H431-R433 PolarHBondContact O-N 2.94Å; H431-Q434 WeakPolarHBondContact O-CB 3.41Å; H431-Q434 PolarHBondContact O-N 2.95Å; H431-I435 PolarHBondContact O-N 3.36Å; H431-L491 PolarHBondContact CD2-O 2.69Å; H431-L491 VanDerWaalsContact CD2-O 3.29Å; H431-L491 PolarHBondContact NE2-O 3.38Å; H431-M492 HydrophobicContact CB-CE 4.26Å; H431-M492 HydrophobicContact CB-SD 4.12Å; H431-M492 PolarHBondContact NE2-O 3.41Å; H431-V494 PolarHBondContact CE1-O 2.94Å; H431-V494 PolarHBondContact NE2-O 2.87Å
432L97.4Very high95.6Very high0 Ų046.5 Ų46.50%023%0.229CC..Hα-helixtrans-58.6-38.7179.4-71.6-179.8000111.7L428 I435 G436 A437 P439 F484 L491 V494 A500L428-L432 HydrophobicContact CD1-CD1 3.89Å; L428-L432 HydrophobicContact CD1-CD2 4.5Å; L428-L432 HydrophobicContact CD1-CG 3.91Å; L428-L432 HydrophobicContact CG-CD1 3.98Å; L428-L432 HydrophobicContact CG-CG 4.35Å; L428-L432 WeakPolarHBondContact O-CB 3.46Å; L428-L432 WeakPolarHBondContact O-CG 3.28Å; L428-L432 PolarHBondContact O-N 2.97Å; L432-I435 HydrophobicContact CD2-CD1 4.1Å; L432-I435 VanDerWaalsContact O-CG1 3.28Å; L432-I435 WeakPolarHBondContact O-CG1 3.22Å; L432-G436 PolarHBondContact O-N 3.41Å; L432-A437 HydrophobicContact CB-CB 4.38Å; L432-A437 WeakPolarHBondContact CB-O 3.3Å; L432-A437 HydrophobicContact CD2-CB 4.16Å; L432-A437 CarbonylContact O-C 3.32Å; L432-A437 VanDerWaalsContact O-CA 3.29Å; L432-A437 WeakPolarHBondContact O-CA 3.35Å; L432-A437 WeakPolarHBondContact O-CB 3.34Å; L432-A437 PolarHBondContact O-N 3.26Å; L432-P439 HydrophobicContact CB-CG 4.22Å; L432-P439 HydrophobicContact CD1-CG 3.97Å; L432-F484 HydrophobicContact CD1-CD1 3.98Å; L432-F484 HydrophobicContact CD1-CE1 3.8Å; L432-L491 HydrophobicContact CD2-CD2 4.45Å; L432-V494 HydrophobicContact CD2-CG2 3.98Å; L432-A500 HydrophobicContact CD2-CB 4.21Å
433R95.2Very high95.9Very high100 Ų10044.8 Ų44.838%0.37722%0.221SC..Hα-helixtrans-62.8-43.1173.3175.3176.8176.8-160.82112.4F429 Y430 H431 I435 G436F429-R433 WeakPolarHBondContact O-CB 3.21Å; F429-R433 PolarHBondContact O-N 3.2Å; Y430-R433 WeakPolarHBondContact O-CB 3.47Å; Y430-R433 PolarHBondContact O-N 3.15Å; H431-R433 PolarHBondContact O-N 2.94Å; R433-I435 VanDerWaalsContact C-N 3.3Å; R433-I435 PolarHBondContact O-N 3.23Å; R433-G436 PolarHBondContact O-N 3.44Å; R433-G436 VanDerWaalsContact O-N 3.11Å
434Q95.4Very high96.2Very high122 Ų12241.7 Ų41.757%0.5720%0.202SC*.Hα-helixtrans-62.2-37.3-179-73.6-172.8-54.800112.5Y430 H431 G436Y430-Q434 HydrophobicContact CD1-CG 4.22Å; Y430-Q434 HydrophobicContact CE1-CG 3.83Å; Y430-Q434 VanDerWaalsContact CE1-NE2 3.26Å; Y430-Q434 VanDerWaalsContact CE1-OE1 3.28Å; Y430-Q434 HydrophobicContact CE2-CG 4.49Å; Y430-Q434 WeakPolarHBondContact O-CG 3.41Å; Y430-Q434 PolarHBondContact O-N 2.97Å; Y430-Q434 PolarHBondContact OH-NE2 3.44Å; Y430-Q434 VanDerWaalsContact OH-NE2 3.07Å; H431-Q434 WeakPolarHBondContact O-CB 3.41Å; H431-Q434 PolarHBondContact O-N 2.95Å; Q434-G436 PolarHBondContact O-N 3.25Å
435I96.5Very high96.4Very high41 Ų4143.5 Ų43.521%0.2121%0.209CC..THydrogen-bonded Turntrans-84.88.6177.767.6172.1000113.3H431 L432 R433 A437 V494H431-I435 PolarHBondContact O-N 3.36Å; L432-I435 HydrophobicContact CD2-CD1 4.1Å; L432-I435 VanDerWaalsContact O-CG1 3.28Å; L432-I435 WeakPolarHBondContact O-CG1 3.22Å; R433-I435 VanDerWaalsContact C-N 3.3Å; R433-I435 PolarHBondContact O-N 3.23Å; I435-A437 VanDerWaalsContact C-N 3.27Å; I435-A437 HydrophobicContact CD1-CB 3.96Å; I435-A437 HydrophobicContact CG1-CB 3.79Å; I435-A437 PolarHBondContact O-N 3.37Å; I435-V494 HydrophobicContact CD1-CG2 3.62Å
436G95Very high96.6Very high46 Ų4641.5 Ų41.547%0.47420%0.199SC..THydrogen-bonded Turntrans76.66.3-179.500000115.1L432 R433 Q434 Q438L432-G436 PolarHBondContact O-N 3.41Å; R433-G436 PolarHBondContact O-N 3.44Å; R433-G436 VanDerWaalsContact O-N 3.11Å; Q434-G436 PolarHBondContact O-N 3.25Å; G436-Q438 VanDerWaalsContact C-N 3.33Å; G436-Q438 PolarHBondContact O-N 3.11Å
437A96.3Very high96.8Very high0 Ų038.8 Ų38.80%018%0.181CC..  trans-89.257.4-179.500000112.4L432 I435 P439 L497 A500L432-A437 HydrophobicContact CB-CB 4.38Å; L432-A437 WeakPolarHBondContact CB-O 3.3Å; L432-A437 HydrophobicContact CD2-CB 4.16Å; L432-A437 CarbonylContact O-C 3.32Å; L432-A437 VanDerWaalsContact O-CA 3.29Å; L432-A437 WeakPolarHBondContact O-CA 3.35Å; L432-A437 WeakPolarHBondContact O-CB 3.34Å; L432-A437 PolarHBondContact O-N 3.26Å; I435-A437 VanDerWaalsContact C-N 3.27Å; I435-A437 HydrophobicContact CD1-CB 3.96Å; I435-A437 HydrophobicContact CG1-CB 3.79Å; I435-A437 PolarHBondContact O-N 3.37Å; A437-P439 WeakPolarHBondContact O-CD 3.12Å; A437-P439 VanDerWaalsContact O-N 3.07Å; A437-L497 HydrophobicContact CB-CB 4.35Å; A437-L497 HydrophobicContact CB-CD1 4.06Å; A437-A500 HydrophobicContact CB-CB 3.93Å
438Q95.3Very high96.9Very high30 Ų3031.6 Ų31.614%0.1415%0.148CC..  trans-52.5116.9-178.7-76.8-73.811.100111.7L183 G436 L440 R441L183-Q438 HydrophobicContact CD1-CB 4Å; L183-Q438 HydrophobicContact CD1-CG 4.38Å; L183-Q438 HydrophobicContact CD2-CG 4.14Å; L183-Q438 HydrophobicContact CG-CB 4.49Å; L183-Q438 HydrophobicContact CG-CG 4.47Å; G436-Q438 VanDerWaalsContact C-N 3.33Å; G436-Q438 PolarHBondContact O-N 3.11Å; Q438-L440 VanDerWaalsContact C-N 3.28Å; Q438-L440 PolarHBondContact O-N 2.8Å; Q438-L440 VanDerWaalsContact O-N 3.12Å; Q438-R441 HydrophobicContact CB-CB 4.48Å; Q438-R441 HydrophobicContact CB-CG 4.07Å; Q438-R441 WeakPolarHBondContact O-CB 3.41Å; Q438-R441 PolarHBondContact O-N 3.24Å
439P97.4Very high96.9Very high0 Ų032.6 Ų32.60%015%0.151CC..Hα-helixtrans-54.4-41-168.4-31.136.2000114F417 L421 F429 L432 A437 R441 I442 A443 F484F417-P439 HydrophobicContact CE1-CB 3.89Å; F417-P439 HydrophobicContact CZ-CB 3.88Å; L421-P439 HydrophobicContact CD2-CB 3.6Å; L421-P439 HydrophobicContact CD2-CG 3.79Å; F429-P439 HydrophobicContact CD2-CG 4.01Å; F429-P439 HydrophobicContact CE2-CB 4.41Å; F429-P439 HydrophobicContact CE2-CG 3.95Å; F429-P439 HydrophobicContact CG-CG 4.48Å; F429-P439 HydrophobicContact CZ-CG 4.36Å; L432-P439 HydrophobicContact CB-CG 4.22Å; L432-P439 HydrophobicContact CD1-CG 3.97Å; A437-P439 WeakPolarHBondContact O-CD 3.12Å; A437-P439 VanDerWaalsContact O-N 3.07Å; P439-R441 VanDerWaalsContact C-N 3.29Å; P439-R441 PolarHBondContact O-N 3.45Å; P439-I442 PolarHBondContact O-N 2.82Å; P439-I442 VanDerWaalsContact O-N 3.15Å; P439-A443 PolarHBondContact O-N 3.43Å; P439-F484 HydrophobicContact CB-CD1 4.42Å; P439-F484 HydrophobicContact CB-CE1 3.79Å; P439-F484 HydrophobicContact CB-CZ 4.01Å; P439-F484 HydrophobicContact CG-CE1 4.42Å
440L97.9Very high97Very high0 Ų032.6 Ų32.60%015%0.151CC..Hα-helixtrans-63.5-33.9-179.4179.663.4000112.4L158 L183 I184 C414 F417 E418 Q438 I442 A443 F444 M447L158-L440 HydrophobicContact CD1-CD2 3.94Å; L158-L440 HydrophobicContact CD1-CG 4.15Å; L183-L440 HydrophobicContact CB-CD2 4.23Å; L183-L440 HydrophobicContact CD1-CB 4.29Å; I184-L440 HydrophobicContact CD1-CD2 4.08Å; I184-L440 HydrophobicContact CG1-CD2 3.58Å; C414-L440 HydrophobicContact CB-CD1 3.82Å; C414-L440 HydrophobicContact CB-CD2 3.93Å; F417-L440 HydrophobicContact CD1-CB 4.39Å; F417-L440 HydrophobicContact CD1-CD1 4Å; F417-L440 HydrophobicContact CE1-CB 4.21Å; F417-L440 HydrophobicContact CE1-CD1 4.46Å; E418-L440 HydrophobicContact CG-CB 4.2Å; E418-L440 HydrophobicContact CG-CD2 4.44Å; E418-L440 WeakPolarHBondContact OE1-CB 3.3Å; E418-L440 WeakPolarHBondContact OE1-CD2 3.49Å; Q438-L440 VanDerWaalsContact C-N 3.28Å; Q438-L440 PolarHBondContact O-N 2.8Å; Q438-L440 VanDerWaalsContact O-N 3.12Å; L440-I442 PolarHBondContact O-N 3.4Å; L440-A443 PolarHBondContact O-N 3.26Å; L440-F444 HydrophobicContact CD1-CD2 4.44Å; L440-F444 WeakPolarHBondContact O-CB 3.24Å; L440-F444 PolarHBondContact O-N 2.97Å; L440-M447 HydrophobicContact CD1-CE 3.4Å; L440-M447 VanDerWaalsContact CD1-CE 3.4Å
441R97.4Very high97.1Very high98 Ų9827.6 Ų27.637%0.3713%0.132SC..Hα-helixtrans-62.2-30.8178.1-69.5-175.2166.7-82.2-2.9112.2L158 E159 L183 Q438 P439L158-R441 HydrophobicContact CD2-CB 4.49Å; L158-R441 HydrophobicContact CD2-CG 4.12Å; E159-R441 IonicContact OE1-CZ 2.99Å; E159-R441 VanDerWaalsContact OE1-CZ 3.24Å; E159-R441 IonicContact OE1-NH1 3.92Å; E159-R441 PolarHBondContact OE1-NH1 2.79Å; E159-R441 IonicContact OE1-NH2 3.19Å; E159-R441 PolarHBondContact OE1-NH2 2.99Å; E159-R441 IonicContact OE2-NH2 3.38Å; E159-R441 PolarHBondContact OE2-NH2 3.14Å; L183-R441 HydrophobicContact CD1-CG 3.77Å; Q438-R441 HydrophobicContact CB-CB 4.48Å; Q438-R441 HydrophobicContact CB-CG 4.07Å; Q438-R441 WeakPolarHBondContact O-CB 3.41Å; Q438-R441 PolarHBondContact O-N 3.24Å; P439-R441 VanDerWaalsContact C-N 3.29Å; P439-R441 PolarHBondContact O-N 3.45Å
442I97.4Very high97.1Very high3 Ų326.1 Ų26.12%0.01513%0.125CC..Hα-helixtrans-80.8-49177.1-55.7174.4000110P439 L440 F444 W446 F484 L497 A500 E501 L504P439-I442 PolarHBondContact O-N 2.82Å; P439-I442 VanDerWaalsContact O-N 3.15Å; L440-I442 PolarHBondContact O-N 3.4Å; I442-F444 PolarHBondContact O-N 3.06Å; I442-W446 HydrophobicContact CG2-CH2 4.16Å; I442-W446 HydrophobicContact CG2-CZ2 4Å; I442-F484 HydrophobicContact CB-CZ 4.24Å; I442-F484 HydrophobicContact CG2-CZ 4.43Å; I442-L497 HydrophobicContact CD1-CD1 4.2Å; I442-L497 HydrophobicContact CG1-CD1 4.26Å; I442-A500 HydrophobicContact CD1-CB 4.18Å; I442-E501 HydrophobicContact CD1-CG 4.31Å; I442-E501 HydrophobicContact CG1-CG 4.25Å; I442-L504 HydrophobicContact CD1-CD1 4.3Å; I442-L504 HydrophobicContact CG2-CB 4.36Å; I442-L504 HydrophobicContact CG2-CD1 3.96Å
443A98.1Very high96.9Very high0 Ų027.4 Ų27.40%014%0.138CC..Hα-helixtrans-73.2-25.2-173.300000114.4F417 P439 L440 K445 W446 M447 A480 F484F417-A443 HydrophobicContact CD1-CB 4.48Å; F417-A443 HydrophobicContact CE1-CB 3.96Å; F417-A443 HydrophobicContact CE2-CB 3.99Å; F417-A443 HydrophobicContact CZ-CB 3.68Å; P439-A443 PolarHBondContact O-N 3.43Å; L440-A443 PolarHBondContact O-N 3.26Å; A443-K445 VanDerWaalsContact C-N 3.28Å; A443-K445 PolarHBondContact O-N 3.01Å; A443-W446 HydrophobicContact CB-CE3 3.95Å; A443-W446 HydrophobicContact CB-CZ3 4.16Å; A443-W446 WeakPolarHBondContact O-CB 3.34Å; A443-W446 PolarHBondContact O-N 2.74Å; A443-M447 HydrophobicContact CB-CE 4.44Å; A443-M447 PolarHBondContact O-N 3.12Å; A443-A480 HydrophobicContact CB-CB 4.37Å; A443-F484 HydrophobicContact CB-CE2 4.06Å
444F98.4Very high96.9Very high3 Ų324.9 Ų24.91%0.01313%0.129CC..Hα-helixtrans-56.3-40.7-171.7-172.9-103.4000113.4P154 F157 L158 L161 I410 L440 I442 W446 M447 V448P154-F444 HydrophobicContact CB-CD1 4.03Å; P154-F444 HydrophobicContact CB-CE1 4.01Å; P154-F444 WeakPolarHBondContact O-CE1 3.48Å; F157-F444 HydrophobicContact CD1-CE1 4.26Å; F157-F444 AromaticContact CD1-CZ 3.73Å; F157-F444 HydrophobicContact CD1-CZ 3.73Å; F157-F444 HydrophobicContact CE1-CZ 4.31Å; F157-F444 HydrophobicContact CG-CZ 4.49Å; L158-F444 HydrophobicContact CB-CD1 3.7Å; L158-F444 HydrophobicContact CB-CD2 4.37Å; L158-F444 HydrophobicContact CB-CE1 3.71Å; L158-F444 HydrophobicContact CB-CE2 4.37Å; L158-F444 HydrophobicContact CB-CG 4.03Å; L158-F444 HydrophobicContact CB-CZ 4.03Å; L158-F444 HydrophobicContact CD1-CB 4.44Å; L158-F444 HydrophobicContact CD1-CD2 3.7Å; L158-F444 HydrophobicContact CD1-CE2 3.97Å; L158-F444 HydrophobicContact CD1-CG 3.97Å; L158-F444 HydrophobicContact CD1-CZ 4.47Å; L158-F444 HydrophobicContact CD2-CB 3.93Å; L158-F444 HydrophobicContact CD2-CD1 4.33Å; L158-F444 HydrophobicContact CD2-CG 4.04Å; L158-F444 HydrophobicContact CG-CD1 4.38Å; L158-F444 HydrophobicContact CG-CD2 4.42Å; L158-F444 HydrophobicContact CG-CG 4.22Å; L161-F444 HydrophobicContact CD1-CE2 3.65Å; L161-F444 HydrophobicContact CD1-CZ 3.93Å; I410-F444 HydrophobicContact CD1-CE2 4.04Å; I410-F444 HydrophobicContact CG1-CE2 3.75Å; I410-F444 HydrophobicContact CG1-CZ 4.18Å; L440-F444 HydrophobicContact CD1-CD2 4.44Å; L440-F444 WeakPolarHBondContact O-CB 3.24Å; L440-F444 PolarHBondContact O-N 2.97Å; I442-F444 PolarHBondContact O-N 3.06Å; F444-W446 VanDerWaalsContact C-N 3.27Å; F444-W446 PolarHBondContact O-N 2.86Å; F444-M447 PolarHBondContact O-N 2.88Å; F444-V448 HydrophobicContact CD1-CG2 3.83Å; F444-V448 HydrophobicContact CD2-CG2 4.32Å; F444-V448 HydrophobicContact CE1-CG2 3.34Å; F444-V448 HydrophobicContact CE2-CG2 3.9Å; F444-V448 HydrophobicContact CG-CG2 4.3Å; F444-V448 HydrophobicContact CZ-CG2 3.41Å; F444-V448 VanDerWaalsContact CZ-CG2 3.41Å; F444-V448 WeakPolarHBondContact O-CG2 3.41Å; F444-V448 PolarHBondContact O-N 3.4Å
445K96.3Very high96.9Very high76 Ų7619.3 Ų19.333%0.3310%0.103SC..Hα-helixtrans-62.7-34.1179.168.9-172.1178.8-178.20112.4A443 R449 Y454A443-K445 VanDerWaalsContact C-N 3.28Å; A443-K445 PolarHBondContact O-N 3.01Å; K445-R449 PolarHBondContact O-N 3.42Å; K445-Y454 WeakPolarHBondContact CB-OH 3.25Å; K445-Y454 HydrophobicContact CD-CE1 4.17Å; K445-Y454 HydrophobicContact CG-CE1 4.23Å; K445-Y454 HydrophobicContact CG-CE2 4.43Å; K445-Y454 WeakPolarHBondContact CG-OH 3.49Å; K445-Y454 WeakPolarHBondContact O-CE2 3.34Å
446W98.1Very high96.9Very high1 Ų118.2 Ų18.20%0.00410%0.099CC..Hα-helixtrans-68.1-47.8175.2-49-31.7000110.3I442 A443 F444 R449 A450 F451 Y454 V483 F484 L504 L507I442-W446 HydrophobicContact CG2-CH2 4.16Å; I442-W446 HydrophobicContact CG2-CZ2 4Å; A443-W446 HydrophobicContact CB-CE3 3.95Å; A443-W446 HydrophobicContact CB-CZ3 4.16Å; A443-W446 WeakPolarHBondContact O-CB 3.34Å; A443-W446 PolarHBondContact O-N 2.74Å; F444-W446 VanDerWaalsContact C-N 3.27Å; F444-W446 PolarHBondContact O-N 2.86Å; W446-R449 CarbonylContact O-C 3.57Å; W446-R449 PolarHBondContact O-N 3.25Å; W446-A450 PolarHBondContact O-N 3.18Å; W446-F451 HydrophobicContact CB-CD1 3.98Å; W446-F451 HydrophobicContact CB-CD2 4.32Å; W446-F451 HydrophobicContact CB-CE1 3.77Å; W446-F451 HydrophobicContact CB-CE2 4.1Å; W446-F451 HydrophobicContact CB-CG 4.26Å; W446-F451 HydrophobicContact CB-CZ 3.83Å; W446-F451 HydrophobicContact CD2-CE1 4.23Å; W446-F451 HydrophobicContact CE3-CE1 4.06Å; W446-F451 HydrophobicContact CE3-CZ 4.14Å; W446-F451 HydrophobicContact CG-CD1 4.47Å; W446-F451 HydrophobicContact CG-CE1 4.14Å; W446-F451 PolarHBondContact O-N 3.35Å; W446-Y454 HydrophobicContact CB-CD2 4.45Å; W446-Y454 AromaticContact CD1-CD1 3.56Å; W446-Y454 AromaticContact CD1-CD2 3.67Å; W446-Y454 AromaticContact CD1-CE1 3.73Å; W446-Y454 AromaticContact CD1-CE2 3.79Å; W446-Y454 AromaticContact CD1-CG 3.54Å; W446-Y454 AromaticContact CD1-CZ 3.85Å; W446-Y454 HydrophobicContact CG-CD2 4.42Å; W446-Y454 HydrophobicContact CG-CG 4.48Å; W446-Y454 AromaticContact NE1-CD1 3.77Å; W446-V483 HydrophobicContact CH2-CG1 4.19Å; W446-V483 HydrophobicContact CZ3-CB 4.42Å; W446-V483 HydrophobicContact CZ3-CG1 4.14Å; W446-F484 AromaticContact CH2-CE2 3.95Å; W446-F484 HydrophobicContact CH2-CE2 3.95Å; W446-F484 HydrophobicContact CZ3-CD2 4.18Å; W446-F484 AromaticContact CZ3-CE2 3.69Å; W446-F484 HydrophobicContact CZ3-CE2 3.69Å; W446-L504 HydrophobicContact CH2-CB 3.97Å; W446-L504 HydrophobicContact CH2-CD1 4.2Å; W446-L504 HydrophobicContact CH2-CD2 4.15Å; W446-L504 HydrophobicContact CH2-CG 4.34Å; W446-L504 HydrophobicContact CZ2-CB 4.02Å; W446-L507 HydrophobicContact CD2-CD1 3.9Å; W446-L507 HydrophobicContact CE3-CD1 4.28Å; W446-L507 HydrophobicContact CG-CD1 4.33Å; W446-L507 HydrophobicContact CH2-CD1 4.29Å; W446-L507 HydrophobicContact CZ2-CD1 3.89Å; W446-L507 HydrophobicContact CZ2-CD2 4.37Å; W446-L507 HydrophobicContact CZ2-CG 4.49Å; W446-L507 HydrophobicContact CZ3-CD1 4.46Å
447M98.4Very high96.8Very high0 Ų016.5 Ų16.50%08%0.079CC..Hα-helixtrans-65.4-44.1-177.1-62.8-168.5-75.600112.5I410 F417 L440 A443 F444 R449 A450 V476 A477 A480I410-M447 HydrophobicContact CD1-CB 4.22Å; F417-M447 HydrophobicContact CB-CE 4.35Å; F417-M447 HydrophobicContact CB-SD 4.14Å; F417-M447 HydrophobicContact CG-CE 4.45Å; L440-M447 HydrophobicContact CD1-CE 3.4Å; L440-M447 VanDerWaalsContact CD1-CE 3.4Å; A443-M447 HydrophobicContact CB-CE 4.44Å; A443-M447 PolarHBondContact O-N 3.12Å; F444-M447 PolarHBondContact O-N 2.88Å; M447-R449 VanDerWaalsContact C-N 3.29Å; M447-R449 PolarHBondContact O-N 2.97Å; M447-A450 PolarHBondContact O-N 2.9Å; M447-V476 HydrophobicContact CB-CG1 3.99Å; M447-V476 HydrophobicContact CG-CG1 3.99Å; M447-A477 HydrophobicContact SD-CB 4.35Å; M447-A480 HydrophobicContact CG-CB 4.24Å; M447-A480 HydrophobicContact SD-CB 4.37Å
448V97.8Very high96.7Very high2 Ų221.6 Ų21.61%0.01211%0.106CC..Hα-helixtrans-62.2-36.9178.6172.50000111.7P154 F365 Y371 L400 I410 F444 A450P154-V448 HydrophobicContact CG-CG1 4.38Å; F365-V448 HydrophobicContact CE2-CG1 3.9Å; F365-V448 HydrophobicContact CZ-CG1 3.89Å; Y371-V448 VanDerWaalsContact CE1-O 3.31Å; Y371-V448 WeakPolarHBondContact CE1-O 3.48Å; Y371-V448 PolarHBondContact OH-O 3.08Å; L400-V448 WeakPolarHBondContact CD1-O 3.4Å; I410-V448 HydrophobicContact CD1-CG2 3.93Å; I410-V448 HydrophobicContact CG1-CG2 4.31Å; F444-V448 HydrophobicContact CD1-CG2 3.83Å; F444-V448 HydrophobicContact CD2-CG2 4.32Å; F444-V448 HydrophobicContact CE1-CG2 3.34Å; F444-V448 HydrophobicContact CE2-CG2 3.9Å; F444-V448 HydrophobicContact CG-CG2 4.3Å; F444-V448 HydrophobicContact CZ-CG2 3.41Å; F444-V448 VanDerWaalsContact CZ-CG2 3.41Å; F444-V448 WeakPolarHBondContact O-CG2 3.41Å; F444-V448 PolarHBondContact O-N 3.4Å; V448-A450 VanDerWaalsContact C-N 3.31Å
449R96.9Very high96.8Very high27 Ų2720.6 Ų20.610%0.10210%0.102CC..THydrogen-bonded Turntrans-89.48.6177-63.8-173.9-177.1-179.5-2.8113.6H366 K445 W446 M447 F451 S452 Y454H366-R449 PolarHBondContact CD2-NH2 2.98Å; H366-R449 PolarHBondContact NE2-NH2 3.23Å; H366-R449 PolarHBondContact O-NH2 3.18Å; K445-R449 PolarHBondContact O-N 3.42Å; W446-R449 CarbonylContact O-C 3.57Å; W446-R449 PolarHBondContact O-N 3.25Å; M447-R449 VanDerWaalsContact C-N 3.29Å; M447-R449 PolarHBondContact O-N 2.97Å; R449-F451 PolarHBondContact O-N 2.88Å; R449-F451 VanDerWaalsContact O-N 3.12Å; R449-S452 VanDerWaalsContact O-CB 3.29Å; R449-S452 WeakPolarHBondContact O-CB 3.16Å; R449-S452 PolarHBondContact O-N 3.5Å; R449-Y454 HydrophobicContact CB-CE2 4.24Å
450A98.1Very high96.8Very high0 Ų020.6 Ų20.60%010%0.102CC..THydrogen-bonded Turntrans46.540.3-173.300000112.9F397 L400 W446 M447 V448 S452 L460 W464F397-A450 HydrophobicContact CE1-CB 4.11Å; L400-A450 HydrophobicContact CD1-CB 3.94Å; W446-A450 PolarHBondContact O-N 3.18Å; M447-A450 PolarHBondContact O-N 2.9Å; V448-A450 VanDerWaalsContact C-N 3.31Å; A450-S452 PolarHBondContact O-N 3.07Å; A450-L460 WeakPolarHBondContact O-CD1 3.31Å; A450-W464 HydrophobicContact CB-CZ2 4.5Å; A450-W464 PolarHBondContact O-NE1 3.25Å; A450-W464 VanDerWaalsContact O-NE1 3.11Å
451F98.1Very high96.8Very high0 Ų020.8 Ų20.80%010%0.103CC..THydrogen-bonded Turntrans664.3-175.5-74.7-98.9000117.4W446 R449 G453 Y454 L455 L460 L463 V476 L479 A480 L507W446-F451 HydrophobicContact CB-CD1 3.98Å; W446-F451 HydrophobicContact CB-CD2 4.32Å; W446-F451 HydrophobicContact CB-CE1 3.77Å; W446-F451 HydrophobicContact CB-CE2 4.1Å; W446-F451 HydrophobicContact CB-CG 4.26Å; W446-F451 HydrophobicContact CB-CZ 3.83Å; W446-F451 HydrophobicContact CD2-CE1 4.23Å; W446-F451 HydrophobicContact CE3-CE1 4.06Å; W446-F451 HydrophobicContact CE3-CZ 4.14Å; W446-F451 HydrophobicContact CG-CD1 4.47Å; W446-F451 HydrophobicContact CG-CE1 4.14Å; W446-F451 PolarHBondContact O-N 3.35Å; R449-F451 PolarHBondContact O-N 2.88Å; R449-F451 VanDerWaalsContact O-N 3.12Å; F451-G453 PolarHBondContact O-N 3.22Å; F451-Y454 PolarHBondContact O-N 2.94Å; F451-Y454 VanDerWaalsContact O-N 3.11Å; F451-L455 HydrophobicContact CB-CD1 3.47Å; F451-L455 VanDerWaalsContact CB-CD1 3.47Å; F451-L455 HydrophobicContact CB-CG 3.88Å; F451-L455 HydrophobicContact CD1-CD1 3.91Å; F451-L455 HydrophobicContact CD1-CD2 4.3Å; F451-L455 HydrophobicContact CD1-CG 3.89Å; F451-L455 HydrophobicContact CG-CD1 3.91Å; F451-L455 HydrophobicContact CG-CG 4.29Å; F451-L455 PolarHBondContact O-N 3.22Å; F451-L460 HydrophobicContact CB-CD1 4Å; F451-L463 HydrophobicContact CB-CD2 4.05Å; F451-L463 HydrophobicContact CD2-CD2 3.92Å; F451-L463 HydrophobicContact CG-CD2 4.23Å; F451-V476 HydrophobicContact CD2-CG1 4.05Å; F451-V476 HydrophobicContact CE2-CG1 3.93Å; F451-V476 WeakPolarHBondContact CE2-O 3.39Å; F451-L479 HydrophobicContact CD1-CD2 4.05Å; F451-L479 HydrophobicContact CD2-CD2 3.94Å; F451-L479 HydrophobicContact CE1-CD2 3.98Å; F451-L479 HydrophobicContact CE1-CG 4.14Å; F451-L479 HydrophobicContact CE2-CB 4.22Å; F451-L479 HydrophobicContact CE2-CD2 3.88Å; F451-L479 HydrophobicContact CE2-CG 4.11Å; F451-L479 HydrophobicContact CG-CD2 4.03Å; F451-L479 HydrophobicContact CZ-CB 4.24Å; F451-L479 HydrophobicContact CZ-CD2 3.89Å; F451-L479 HydrophobicContact CZ-CG 3.82Å; F451-A480 HydrophobicContact CE2-CB 4.44Å; F451-A480 HydrophobicContact CZ-CB 4.01Å; F451-L507 HydrophobicContact CD1-CD1 4.23Å; F451-L507 HydrophobicContact CE1-CD1 3.99Å
452S96.8Very high96.8Very high0 Ų016.6 Ų16.60%09%0.088CC..THydrogen-bonded Turntrans-65.5131.1174.9-172.30000112M370 P374 R449 A450 Y454M370-S452 WeakPolarHBondContact O-CB 3.5Å; M370-S452 PolarHBondContact O-OG 3.34Å; P374-S452 VanDerWaalsContact CG-OG 3.25Å; P374-S452 WeakPolarHBondContact CG-OG 3.37Å; R449-S452 VanDerWaalsContact O-CB 3.29Å; R449-S452 WeakPolarHBondContact O-CB 3.16Å; R449-S452 PolarHBondContact O-N 3.5Å; A450-S452 PolarHBondContact O-N 3.07Å; S452-Y454 VanDerWaalsContact C-N 3.33Å; S452-Y454 WeakPolarHBondContact O-CD2 3.5Å
453G94Very high96.9Very high27 Ų2716.5 Ų16.528%0.2789%0.087SC..THydrogen-bonded Turntrans79.99.8-172.200000115.1F451F451-G453 PolarHBondContact O-N 3.22Å
454Y95Very high96.9Very high46 Ų4616.5 Ų16.518%0.189%0.087CC..THydrogen-bonded Turntrans-124.2-40.8176.6-60.1-73.1000112.2K445 W446 R449 F451 S452 L507 S508K445-Y454 WeakPolarHBondContact CB-OH 3.25Å; K445-Y454 HydrophobicContact CD-CE1 4.17Å; K445-Y454 HydrophobicContact CG-CE1 4.23Å; K445-Y454 HydrophobicContact CG-CE2 4.43Å; K445-Y454 WeakPolarHBondContact CG-OH 3.49Å; K445-Y454 WeakPolarHBondContact O-CE2 3.34Å; W446-Y454 HydrophobicContact CB-CD2 4.45Å; W446-Y454 AromaticContact CD1-CD1 3.56Å; W446-Y454 AromaticContact CD1-CD2 3.67Å; W446-Y454 AromaticContact CD1-CE1 3.73Å; W446-Y454 AromaticContact CD1-CE2 3.79Å; W446-Y454 AromaticContact CD1-CG 3.54Å; W446-Y454 AromaticContact CD1-CZ 3.85Å; W446-Y454 HydrophobicContact CG-CD2 4.42Å; W446-Y454 HydrophobicContact CG-CG 4.48Å; W446-Y454 AromaticContact NE1-CD1 3.77Å; R449-Y454 HydrophobicContact CB-CE2 4.24Å; F451-Y454 PolarHBondContact O-N 2.94Å; F451-Y454 VanDerWaalsContact O-N 3.11Å; S452-Y454 VanDerWaalsContact C-N 3.33Å; S452-Y454 WeakPolarHBondContact O-CD2 3.5Å; Y454-L507 CarbonylContact O-C 3.36Å; Y454-L507 WeakPolarHBondContact O-CB 3.38Å; Y454-S508 PolarHBondContact O-N 3.04Å
455L96.5Very high96.9Very high5 Ų516.3 Ų16.33%0.0269%0.086CC..SBendtrans-91.5155.7173.8-62.6171.6000110.8F451 L460 L463 L479 L507 L510 V512F451-L455 HydrophobicContact CB-CD1 3.47Å; F451-L455 VanDerWaalsContact CB-CD1 3.47Å; F451-L455 HydrophobicContact CB-CG 3.88Å; F451-L455 HydrophobicContact CD1-CD1 3.91Å; F451-L455 HydrophobicContact CD1-CD2 4.3Å; F451-L455 HydrophobicContact CD1-CG 3.89Å; F451-L455 HydrophobicContact CG-CD1 3.91Å; F451-L455 HydrophobicContact CG-CG 4.29Å; F451-L455 PolarHBondContact O-N 3.22Å; L455-L460 HydrophobicContact CB-CB 4.24Å; L455-L460 HydrophobicContact CD1-CD1 4.39Å; L455-L463 HydrophobicContact CD1-CD2 4.42Å; L455-L479 HydrophobicContact CD1-CD2 4.01Å; L455-L507 HydrophobicContact CD2-CB 4.07Å; L455-L510 HydrophobicContact CD2-CB 4.46Å; L455-V512 HydrophobicContact CD1-CG2 3.62Å; L455-V512 HydrophobicContact CD2-CG2 4.06Å; L455-V512 HydrophobicContact CG-CG2 4.44Å
456S94.8Very high97Very high19 Ų1912.7 Ų12.713%0.1337%0.071CC..  trans-59.4144.4162.748.60000110.5D458 Q459 L460 S508S456-D458 VanDerWaalsContact C-N 3.3Å; S456-D458 PolarHBondContact O-N 3.33Å; S456-Q459 PolarHBondContact O-N 3.23Å; S456-Q459 WeakPolarHBondContact OG-CG 3.49Å; S456-L460 PolarHBondContact O-N 2.73Å; S456-S508 WeakPolarHBondContact CB-O 3.35Å; S456-S508 PolarHBondContact OG-O 2.6Å
457T94.3Very high97Very high9 Ų912.7 Ų12.76%0.0557%0.07CC..Hα-helixtrans-54.4-43.4-173-53.60000112.6Y308 F377 Q459 L460 L461Y308-T457 PolarHBondContact OH-OG1 3.21Å; F377-T457 HydrophobicContact CD2-CG2 3.45Å; F377-T457 VanDerWaalsContact CD2-CG2 3.45Å; F377-T457 HydrophobicContact CE2-CG2 3.72Å; F377-T457 HydrophobicContact CG-CG2 4.07Å; T457-Q459 VanDerWaalsContact C-N 3.3Å; T457-Q459 PolarHBondContact O-N 2.87Å; T457-L460 WeakPolarHBondContact O-CB 3.28Å; T457-L460 PolarHBondContact O-N 3.13Å; T457-L461 HydrophobicContact CG2-CD1 4.1Å; T457-L461 HydrophobicContact CG2-CG 4.26Å; T457-L461 VanDerWaalsContact O-CG 3.3Å; T457-L461 WeakPolarHBondContact O-CG 3.39Å; T457-L461 PolarHBondContact O-N 3.45Å
458D93.9Very high96.9Very high107 Ų10712.7 Ų12.757%0.5727%0.07SC*.Hα-helixtrans-61-39.9180-63.4-46.2000112.2S456 L462S456-D458 VanDerWaalsContact C-N 3.3Å; S456-D458 PolarHBondContact O-N 3.33Å; D458-L462 WeakPolarHBondContact O-CG 3.35Å; D458-L462 PolarHBondContact O-N 3.19Å
459Q96.7Very high96.9Very high10 Ų1012.6 Ų12.65%0.0477%0.07CC..Hα-helixtrans-73.8-36178.6-63.9-61.1-5100112S456 T457 L462 L463 L510 V512S456-Q459 PolarHBondContact O-N 3.23Å; S456-Q459 WeakPolarHBondContact OG-CG 3.49Å; T457-Q459 VanDerWaalsContact C-N 3.3Å; T457-Q459 PolarHBondContact O-N 2.87Å; Q459-L462 PolarHBondContact O-N 2.81Å; Q459-L463 PolarHBondContact O-N 2.99Å; Q459-L463 VanDerWaalsContact O-N 3.13Å; Q459-L510 WeakPolarHBondContact CG-O 3.45Å; Q459-V512 HydrophobicContact CB-CB 4.5Å; Q459-V512 HydrophobicContact CB-CG2 3.79Å
460L97.8Very high96.9Very high0 Ų012.4 Ų12.40%07%0.069CC..Hα-helixtrans-63.2-43.1173.3-178.864000112P374 A450 F451 L455 S456 T457 L462 L463 W464P374-L460 HydrophobicContact CB-CD2 3.8Å; P374-L460 HydrophobicContact CG-CD2 3.36Å; A450-L460 WeakPolarHBondContact O-CD1 3.31Å; F451-L460 HydrophobicContact CB-CD1 4Å; L455-L460 HydrophobicContact CB-CB 4.24Å; L455-L460 HydrophobicContact CD1-CD1 4.39Å; S456-L460 PolarHBondContact O-N 2.73Å; T457-L460 WeakPolarHBondContact O-CB 3.28Å; T457-L460 PolarHBondContact O-N 3.13Å; L460-L462 VanDerWaalsContact C-N 3.3Å; L460-L462 PolarHBondContact O-N 2.96Å; L460-L463 VanDerWaalsContact O-CB 3.31Å; L460-L463 WeakPolarHBondContact O-CB 3.26Å; L460-L463 PolarHBondContact O-N 3.08Å; L460-L463 VanDerWaalsContact O-N 3.13Å; L460-W464 HydrophobicContact CD1-CZ2 4.38Å; L460-W464 HydrophobicContact CD2-CZ2 4.45Å; L460-W464 HydrophobicContact CG-CZ2 4.5Å; L460-W464 PolarHBondContact O-N 2.76Å
461L97.8Very high96.7Very high4 Ų414.9 Ų14.92%0.0218%0.083CC..Hα-helixtrans-64.9-35.4177.9-69.8177.8000111.8W260 L378 T457 L463 W464 D465W260-L461 HydrophobicContact CH2-CD2 3.69Å; W260-L461 HydrophobicContact CZ2-CD2 4.32Å; W260-L461 HydrophobicContact CZ3-CD2 4.39Å; L378-L461 HydrophobicContact CD1-CD2 3.97Å; L378-L461 HydrophobicContact CD2-CD1 4.03Å; L378-L461 HydrophobicContact CG-CD2 4.33Å; T457-L461 HydrophobicContact CG2-CD1 4.1Å; T457-L461 HydrophobicContact CG2-CG 4.26Å; T457-L461 VanDerWaalsContact O-CG 3.3Å; T457-L461 WeakPolarHBondContact O-CG 3.39Å; T457-L461 PolarHBondContact O-N 3.45Å; L461-L463 VanDerWaalsContact C-N 3.34Å; L461-W464 PolarHBondContact O-N 3.39Å; L461-D465 VanDerWaalsContact O-CG 3.25Å; L461-D465 PolarHBondContact O-N 3.33Å
462L97.8Very high96.6Very high10 Ų1015.3 Ų15.35%0.0529%0.085CC..Hα-helixtrans-64.3-37.8171.9-69.8172.3000112.4D458 Q459 L460 D465 R466 I513D458-L462 WeakPolarHBondContact O-CG 3.35Å; D458-L462 PolarHBondContact O-N 3.19Å; Q459-L462 PolarHBondContact O-N 2.81Å; L460-L462 VanDerWaalsContact C-N 3.3Å; L460-L462 PolarHBondContact O-N 2.96Å; L462-D465 WeakPolarHBondContact O-CB 3.38Å; L462-R466 WeakPolarHBondContact O-CG 3.35Å; L462-R466 PolarHBondContact O-N 2.94Å; L462-R466 PolarHBondContact O-NH1 3.19Å; L462-I513 HydrophobicContact CB-CD1 4.14Å; L462-I513 HydrophobicContact CB-CG1 4.11Å; L462-I513 HydrophobicContact CD1-CG1 4.24Å
463L98.4Very high96.6Very high0 Ų015.3 Ų15.30%09%0.085CC..Hα-helixtrans-62.2-47172.6-177.662.4000110.9F451 L455 Q459 L460 L461 D465 R466 I467 V475 L479 V512 I516F451-L463 HydrophobicContact CB-CD2 4.05Å; F451-L463 HydrophobicContact CD2-CD2 3.92Å; F451-L463 HydrophobicContact CG-CD2 4.23Å; L455-L463 HydrophobicContact CD1-CD2 4.42Å; Q459-L463 PolarHBondContact O-N 2.99Å; Q459-L463 VanDerWaalsContact O-N 3.13Å; L460-L463 VanDerWaalsContact O-CB 3.31Å; L460-L463 WeakPolarHBondContact O-CB 3.26Å; L460-L463 PolarHBondContact O-N 3.08Å; L460-L463 VanDerWaalsContact O-N 3.13Å; L461-L463 VanDerWaalsContact C-N 3.34Å; L463-D465 VanDerWaalsContact C-N 3.34Å; L463-D465 PolarHBondContact O-N 3.2Å; L463-R466 WeakPolarHBondContact O-CA 3.45Å; L463-R466 WeakPolarHBondContact O-CB 3.42Å; L463-R466 PolarHBondContact O-N 3.28Å; L463-I467 PolarHBondContact O-N 3.01Å; L463-V475 HydrophobicContact CD1-CB 4.48Å; L463-V475 HydrophobicContact CD1-CG1 3.9Å; L463-V475 HydrophobicContact CD1-CG2 3.91Å; L463-L479 HydrophobicContact CD1-CD2 4.02Å; L463-L479 HydrophobicContact CD2-CD2 3.72Å; L463-L479 HydrophobicContact CG-CD2 4.42Å; L463-V512 HydrophobicContact CB-CG1 4.14Å; L463-V512 HydrophobicContact CD1-CG1 4.23Å; L463-I516 HydrophobicContact CD1-CD1 4.24Å
464W98.6Very high96.8Very high0 Ų014.2 Ų14.20%07%0.073CC..Hα-helixtrans-70.5-29.1-177.8-71.916.3000112.8W260 P374 L375 M392 F397 A450 L460 L461 R466 I467 L468W260-W464 HydrophobicContact CH2-CB 3.41Å; W260-W464 VanDerWaalsContact CH2-CB 3.41Å; W260-W464 HydrophobicContact CH2-CD2 4.35Å; W260-W464 AromaticContact CH2-CE3 3.77Å; W260-W464 HydrophobicContact CH2-CE3 3.77Å; W260-W464 HydrophobicContact CH2-CG 4.29Å; W260-W464 HydrophobicContact CZ2-CB 3.72Å; W260-W464 HydrophobicContact CZ3-CB 4.4Å; W260-W464 AromaticContact CZ3-CE3 3.88Å; W260-W464 HydrophobicContact CZ3-CE3 3.88Å; P374-W464 HydrophobicContact CB-CH2 4.05Å; P374-W464 HydrophobicContact CB-CZ3 3.98Å; P374-W464 HydrophobicContact CG-CH2 3.65Å; P374-W464 HydrophobicContact CG-CZ2 4.2Å; P374-W464 HydrophobicContact CG-CZ3 4.12Å; L375-W464 HydrophobicContact CD2-CE3 4.17Å; L375-W464 HydrophobicContact CD2-CZ3 3.76Å; L375-W464 HydrophobicContact CG-CZ3 4.03Å; M392-W464 HydrophobicContact CE-CD2 4.28Å; M392-W464 HydrophobicContact CE-CE3 3.86Å; M392-W464 HydrophobicContact CE-CZ3 4.3Å; F397-W464 HydrophobicContact CE1-CZ2 4.24Å; F397-W464 HydrophobicContact CE2-CH2 4.28Å; F397-W464 HydrophobicContact CZ-CD2 4.41Å; F397-W464 HydrophobicContact CZ-CE3 4.32Å; F397-W464 AromaticContact CZ-CH2 3.66Å; F397-W464 HydrophobicContact CZ-CH2 3.66Å; F397-W464 AromaticContact CZ-CZ2 3.72Å; F397-W464 HydrophobicContact CZ-CZ2 3.72Å; F397-W464 AromaticContact CZ-CZ3 3.98Å; F397-W464 HydrophobicContact CZ-CZ3 3.98Å; A450-W464 HydrophobicContact CB-CZ2 4.5Å; A450-W464 PolarHBondContact O-NE1 3.25Å; A450-W464 VanDerWaalsContact O-NE1 3.11Å; L460-W464 HydrophobicContact CD1-CZ2 4.38Å; L460-W464 HydrophobicContact CD2-CZ2 4.45Å; L460-W464 HydrophobicContact CG-CZ2 4.5Å; L460-W464 PolarHBondContact O-N 2.76Å; L461-W464 PolarHBondContact O-N 3.39Å; W464-R466 PolarHBondContact O-N 3.33Å; W464-I467 HydrophobicContact CG-CD1 4.31Å; W464-I467 PolarHBondContact O-N 3.12Å; W464-L468 PolarHBondContact O-N 3.29Å
465D98.5Very high97Very high0 Ų012 Ų120%07%0.065CC..Hα-helixtrans-54.3-39.7166.2-74-25.6000110.7C251 R256 W260 L461 L462 L463 G469C251-D465 WeakPolarHBondContact CB-OD1 3.46Å; C251-D465 PolarHBondContact N-OD2 3.04Å; C251-D465 PolarHBondContact SG-OD1 2.96Å; R256-D465 IonicContact NE-OD1 3.47Å; R256-D465 IonicContact NE-OD2 3.95Å; R256-D465 PolarHBondContact NE-OD2 3.15Å; W260-D465 WeakPolarHBondContact CZ2-OD1 3.38Å; W260-D465 PolarHBondContact NE1-OD1 3.04Å; L461-D465 VanDerWaalsContact O-CG 3.25Å; L461-D465 PolarHBondContact O-N 3.33Å; L462-D465 WeakPolarHBondContact O-CB 3.38Å; L463-D465 VanDerWaalsContact C-N 3.34Å; L463-D465 PolarHBondContact O-N 3.2Å; D465-G469 PolarHBondContact O-N 2.96Å
466R98.1Very high97.1Very high0 Ų011.8 Ų11.80%06%0.063CC..Hα-helixtrans-78.1-34.1179.9-54.6-34.9-172.9-84.94.1112.3L210 R248 R249 G250 L462 L463 W464 L468 G469 Y470 V475 I513L210-R466 PolarHBondContact O-NH2 3.42Å; R248-R466 WeakPolarHBondContact O-CD 3.49Å; R248-R466 PolarHBondContact O-NE 3.41Å; R249-R466 PolarHBondContact O-NH2 3.13Å; R249-R466 VanDerWaalsContact O-NH2 3.11Å; G250-R466 VanDerWaalsContact CA-CZ 3.42Å; G250-R466 VanDerWaalsContact N-CZ 3.26Å; L462-R466 WeakPolarHBondContact O-CG 3.35Å; L462-R466 PolarHBondContact O-N 2.94Å; L462-R466 PolarHBondContact O-NH1 3.19Å; L463-R466 WeakPolarHBondContact O-CA 3.45Å; L463-R466 WeakPolarHBondContact O-CB 3.42Å; L463-R466 PolarHBondContact O-N 3.28Å; W464-R466 PolarHBondContact O-N 3.33Å; R466-L468 VanDerWaalsContact C-N 3.31Å; R466-L468 PolarHBondContact O-N 3.46Å; R466-G469 PolarHBondContact O-N 3.24Å; R466-Y470 HydrophobicContact CB-CD2 4.09Å; R466-Y470 HydrophobicContact CB-CE2 4.38Å; R466-Y470 WeakPolarHBondContact O-CB 3.49Å; R466-Y470 WeakPolarHBondContact O-CD2 3.24Å; R466-Y470 PolarHBondContact O-N 2.58Å; R466-V475 HydrophobicContact CB-CG2 4.47Å; R466-I513 HydrophobicContact CG-CD1 4.18Å
467I98.3Very high97.3Very high0 Ų010.9 Ų10.90%06%0.057CC..Hα-helixtrans-57.5-49171-65.6171000109.8Y396 L463 W464 D471 S472 L473 V475 V476Y396-I467 HydrophobicContact CD1-CG2 3.86Å; Y396-I467 HydrophobicContact CE1-CG2 4.16Å; Y396-I467 HydrophobicContact CG-CG2 4.06Å; L463-I467 PolarHBondContact O-N 3.01Å; W464-I467 HydrophobicContact CG-CD1 4.31Å; W464-I467 PolarHBondContact O-N 3.12Å; I467-D471 VanDerWaalsContact O-CA 3.27Å; I467-D471 WeakPolarHBondContact O-CA 3.26Å; I467-D471 PolarHBondContact O-N 3Å; I467-S472 WeakPolarHBondContact CA-O 3.4Å; I467-S472 PolarHBondContact O-N 3.47Å; I467-L473 HydrophobicContact CD1-CD2 3.96Å; I467-L473 HydrophobicContact CG1-CD2 4.33Å; I467-L473 HydrophobicContact CG2-CD2 3.91Å; I467-V475 HydrophobicContact CG1-CG1 3.75Å; I467-V476 HydrophobicContact CD1-CG2 3.97Å; I467-V476 HydrophobicContact CG1-CG2 4.47Å
468L97.6Very high97.5Very high0 Ų010.5 Ų10.50%06%0.055CC..Hα-helixtrans-69.4-42.2179.3-72.3176.8000113Q244 W260 I263 L264 M392 Y396 W464 R466 D471Q244-L468 WeakPolarHBondContact CG-O 3.41Å; Q244-L468 PolarHBondContact NE2-O 2.95Å; W260-L468 HydrophobicContact CB-CD1 4Å; W260-L468 HydrophobicContact CD2-CD1 3.26Å; W260-L468 VanDerWaalsContact CE2-CD1 3.5Å; W260-L468 HydrophobicContact CE3-CD1 3.78Å; W260-L468 HydrophobicContact CG-CD1 3.35Å; W260-L468 HydrophobicContact CZ2-CD1 4.21Å; W260-L468 HydrophobicContact CZ3-CD1 4.43Å; I263-L468 HydrophobicContact CD1-CB 4.11Å; I263-L468 HydrophobicContact CG2-CB 4.3Å; I263-L468 HydrophobicContact CG2-CD2 4.15Å; L264-L468 HydrophobicContact CD1-CD2 4.47Å; L264-L468 HydrophobicContact CD2-CD2 3.76Å; L264-L468 HydrophobicContact CG-CD2 4.08Å; M392-L468 HydrophobicContact SD-CD1 4.26Å; M392-L468 HydrophobicContact SD-CD2 3.71Å; M392-L468 HydrophobicContact SD-CG 4.21Å; Y396-L468 HydrophobicContact CD2-CD2 4.43Å; Y396-L468 HydrophobicContact CE2-CD2 3.52Å; W464-L468 PolarHBondContact O-N 3.29Å; R466-L468 VanDerWaalsContact C-N 3.31Å; R466-L468 PolarHBondContact O-N 3.46Å; L468-D471 PolarHBondContact O-N 3.24Å
469G97Very high97.7Very high0 Ų05.4 Ų5.40%03%0.028CC..Hα-helixtrans-69.8-34.5-176.300000114Q244 R248 D465 R466Q244-G469 VanDerWaalsContact CG-O 3.22Å; Q244-G469 WeakPolarHBondContact CG-O 3.33Å; Q244-G469 WeakPolarHBondContact O-CA 3.25Å; R248-G469 VanDerWaalsContact CG-C 3.49Å; R248-G469 WeakPolarHBondContact CG-O 3.42Å; R248-G469 PolarHBondContact NE-O 3.05Å; D465-G469 PolarHBondContact O-N 2.96Å; R466-G469 PolarHBondContact O-N 3.24Å
470Y96.5Very high97.8Very high24 Ų245 Ų59%0.0943%0.025CC..Hα-helixtrans-98.1-3.7176.8-69.5-80.8000113.5A199 Y200 E202 L203 R248 R466 S472A199-Y470 VanDerWaalsContact O-CD1 3.29Å; A199-Y470 WeakPolarHBondContact O-CD1 3.33Å; A199-Y470 WeakPolarHBondContact O-CE1 3.46Å; Y200-Y470 AromaticContact CD1-CD1 3.79Å; Y200-Y470 HydrophobicContact CD1-CD1 3.79Å; Y200-Y470 AromaticContact CD1-CD2 3.65Å; Y200-Y470 HydrophobicContact CD1-CD2 3.65Å; Y200-Y470 AromaticContact CD1-CE1 3.79Å; Y200-Y470 HydrophobicContact CD1-CE1 3.79Å; Y200-Y470 AromaticContact CD1-CE2 3.65Å; Y200-Y470 HydrophobicContact CD1-CE2 3.65Å; Y200-Y470 AromaticContact CD1-CG 3.72Å; Y200-Y470 HydrophobicContact CD1-CG 3.72Å; Y200-Y470 AromaticContact CD1-CZ 3.69Å; Y200-Y470 HydrophobicContact CE1-CD1 4.03Å; Y200-Y470 AromaticContact CE1-CD2 3.66Å; Y200-Y470 HydrophobicContact CE1-CD2 3.66Å; Y200-Y470 HydrophobicContact CE1-CE1 4.47Å; Y200-Y470 HydrophobicContact CE1-CE2 4.14Å; Y200-Y470 AromaticContact CE1-CG 3.58Å; Y200-Y470 HydrophobicContact CE1-CG 3.58Å; E202-Y470 WeakPolarHBondContact CB-OH 3.38Å; E202-Y470 PolarHBondContact OE2-OH 3.09Å; L203-Y470 HydrophobicContact CD1-CE2 4.47Å; L203-Y470 HydrophobicContact CG-CE2 4.33Å; R248-Y470 HydrophobicContact CB-CD2 4.41Å; R248-Y470 HydrophobicContact CB-CE1 4.32Å; R248-Y470 HydrophobicContact CB-CE2 3.82Å; R248-Y470 HydrophobicContact CG-CD1 4.11Å; R248-Y470 HydrophobicContact CG-CD2 4.05Å; R248-Y470 HydrophobicContact CG-CE1 3.96Å; R248-Y470 HydrophobicContact CG-CE2 3.91Å; R248-Y470 HydrophobicContact CG-CG 4.16Å; R466-Y470 HydrophobicContact CB-CD2 4.09Å; R466-Y470 HydrophobicContact CB-CE2 4.38Å; R466-Y470 WeakPolarHBondContact O-CB 3.49Å; R466-Y470 WeakPolarHBondContact O-CD2 3.24Å; R466-Y470 PolarHBondContact O-N 2.58Å; Y470-S472 PolarHBondContact O-N 3.42Å
471D94.9Very high97.8Very high52 Ų525 Ų528%0.2783%0.025SC..THydrogen-bonded Turntrans50.641.8-174.3-167.145.2000112.6H71 Y396 I467 L468H71-D471 IonicContact CE1-OD2 3.66Å; H71-D471 IonicContact CG-OD2 3.56Å; H71-D471 IonicContact ND1-OD2 3Å; H71-D471 PolarHBondContact ND1-OD2 3.18Å; H71-D471 VanDerWaalsContact ND1-OD2 3.09Å; Y396-D471 VanDerWaalsContact CE1-OD1 3.23Å; Y396-D471 WeakPolarHBondContact CE1-OD1 3.44Å; Y396-D471 PolarHBondContact OH-OD1 3.28Å; I467-D471 VanDerWaalsContact O-CA 3.27Å; I467-D471 WeakPolarHBondContact O-CA 3.26Å; I467-D471 PolarHBondContact O-N 3Å; L468-D471 PolarHBondContact O-N 3.24Å
472S95.5Very high97.8Very high8 Ų84.9 Ų4.96%0.0563%0.025CC..  trans-151.7142.7-175-179.50000112.8S408 I467 Y470 E474S408-S472 PolarHBondContact OG-OG 3.07Å; I467-S472 WeakPolarHBondContact CA-O 3.4Å; I467-S472 PolarHBondContact O-N 3.47Å; Y470-S472 PolarHBondContact O-N 3.42Å; S472-E474 WeakPolarHBondContact OG-CG 3.35Å; S472-E474 PolarHBondContact OG-N 3.13Å; S472-E474 VanDerWaalsContact OG-N 3.14Å; S472-E474 PolarHBondContact OG-OE2 2.79Å
473L97.7Very high97.8Very high0 Ų04.4 Ų4.40%02%0.023CC..SBendtrans-88-3.7173-69.2165.2000113.8Y396 R399 L400 S408 L413 I467 V475 V476Y396-L473 WeakPolarHBondContact O-CD1 3.21Å; R399-L473 HydrophobicContact CB-CD1 4.01Å; L400-L473 HydrophobicContact CD2-CD1 3.85Å; L400-L473 HydrophobicContact CD2-CD2 4.42Å; L400-L473 HydrophobicContact CG-CD1 4.07Å; S408-L473 WeakPolarHBondContact O-CD1 3.23Å; L413-L473 HydrophobicContact CD1-CB 3.93Å; L413-L473 HydrophobicContact CD2-CB 4.39Å; L413-L473 WeakPolarHBondContact CD2-O 3.31Å; I467-L473 HydrophobicContact CD1-CD2 3.96Å; I467-L473 HydrophobicContact CG1-CD2 4.33Å; I467-L473 HydrophobicContact CG2-CD2 3.91Å; L473-V475 PolarHBondContact O-N 2.58Å; L473-V475 VanDerWaalsContact O-N 3.16Å; L473-V476 HydrophobicContact CD2-CG2 4.27Å; L473-V476 WeakPolarHBondContact O-CB 3.33Å; L473-V476 WeakPolarHBondContact O-CG2 3.45Å; L473-V476 PolarHBondContact O-N 2.65Å
474E97.9Very high97.8Very high4 Ų44.4 Ų4.42%0.0192%0.023CC..Hα-helixtrans-58.7-31-177.2-71.6177.69500113R191 Y200 L413 Q416 S472 V476 A477 V478R191-E474 WeakPolarHBondContact CD-OE1 3.45Å; R191-E474 IonicContact CZ-OE2 3.55Å; R191-E474 IonicContact NE-OE2 3.48Å; R191-E474 IonicContact NH1-OE2 3.06Å; R191-E474 PolarHBondContact NH1-OE2 2.77Å; Y200-E474 HydrophobicContact CE2-CB 4.49Å; Y200-E474 WeakPolarHBondContact OH-CB 3.41Å; L413-E474 HydrophobicContact CD2-CB 4.46Å; L413-E474 HydrophobicContact CD2-CG 4.25Å; Q416-E474 PolarHBondContact NE2-OE1 3.38Å; S472-E474 WeakPolarHBondContact OG-CG 3.35Å; S472-E474 PolarHBondContact OG-N 3.13Å; S472-E474 VanDerWaalsContact OG-N 3.14Å; S472-E474 PolarHBondContact OG-OE2 2.79Å; E474-V476 PolarHBondContact O-N 2.9Å; E474-V476 VanDerWaalsContact O-N 3.08Å; E474-A477 PolarHBondContact O-N 2.93Å; E474-V478 PolarHBondContact O-N 3.28Å; E474-V478 VanDerWaalsContact O-N 3.1Å
475V98.3Very high97.8Very high1 Ų16 Ų61%0.0064%0.036CC..Hα-helixtrans-57.6-25.4175.470.70000112.6Y200 L463 R466 I467 L473 V478 L479 I516Y200-V475 HydrophobicContact CE1-CB 4.13Å; Y200-V475 PolarHBondContact OH-N 3.3Å; L463-V475 HydrophobicContact CD1-CB 4.48Å; L463-V475 HydrophobicContact CD1-CG1 3.9Å; L463-V475 HydrophobicContact CD1-CG2 3.91Å; R466-V475 HydrophobicContact CB-CG2 4.47Å; I467-V475 HydrophobicContact CG1-CG1 3.75Å; L473-V475 PolarHBondContact O-N 2.58Å; L473-V475 VanDerWaalsContact O-N 3.16Å; V475-V478 PolarHBondContact O-N 3.11Å; V475-L479 WeakPolarHBondContact O-CB 3.27Å; V475-L479 PolarHBondContact O-N 3.36Å; V475-I516 HydrophobicContact CG2-CD1 3.71Å
476V98.5Very high97.7Very high0 Ų011.5 Ų11.50%06%0.06CC..Hα-helixtrans-66.9-42.7175.4179.40000110.9M447 F451 I467 L473 E474 A480M447-V476 HydrophobicContact CB-CG1 3.99Å; M447-V476 HydrophobicContact CG-CG1 3.99Å; F451-V476 HydrophobicContact CD2-CG1 4.05Å; F451-V476 HydrophobicContact CE2-CG1 3.93Å; F451-V476 WeakPolarHBondContact CE2-O 3.39Å; I467-V476 HydrophobicContact CD1-CG2 3.97Å; I467-V476 HydrophobicContact CG1-CG2 4.47Å; L473-V476 HydrophobicContact CD2-CG2 4.27Å; L473-V476 WeakPolarHBondContact O-CB 3.33Å; L473-V476 WeakPolarHBondContact O-CG2 3.45Å; L473-V476 PolarHBondContact O-N 2.65Å; E474-V476 PolarHBondContact O-N 2.9Å; E474-V476 VanDerWaalsContact O-N 3.08Å; V476-A480 PolarHBondContact O-N 3.49Å; V476-A480 VanDerWaalsContact O-N 3.1Å
477A98.5Very high97.7Very high0 Ų014.2 Ų14.20%07%0.07CC..Hα-helixtrans-70.6-38.5176.400000111.6L413 Q416 F417 M447 E474 A480 A481L413-A477 HydrophobicContact CB-CB 4.23Å; L413-A477 HydrophobicContact CD2-CB 4.23Å; L413-A477 WeakPolarHBondContact O-CB 3.44Å; Q416-A477 HydrophobicContact CB-CB 4.19Å; Q416-A477 HydrophobicContact CG-CB 4.22Å; F417-A477 HydrophobicContact CB-CB 4.25Å; M447-A477 HydrophobicContact SD-CB 4.35Å; E474-A477 PolarHBondContact O-N 2.93Å; A477-A480 PolarHBondContact O-N 3.05Å; A477-A481 PolarHBondContact O-N 3.34Å
478V98.4Very high97.6Very high0 Ų015 Ų150%08%0.077CC..Hα-helixtrans-60.2-48.7174.5176.10000110.9L196 L420 E474 V475 A480 A481 A482 I516 F519 L520L196-V478 HydrophobicContact CD1-CG2 4.09Å; L196-V478 HydrophobicContact CD2-CG2 4.2Å; L420-V478 HydrophobicContact CD1-CG2 4.12Å; E474-V478 PolarHBondContact O-N 3.28Å; E474-V478 VanDerWaalsContact O-N 3.1Å; V475-V478 PolarHBondContact O-N 3.11Å; V478-A480 VanDerWaalsContact C-N 3.34Å; V478-A480 PolarHBondContact O-N 2.93Å; V478-A481 PolarHBondContact O-N 3.31Å; V478-A482 WeakPolarHBondContact O-CB 3.03Å; V478-A482 PolarHBondContact O-N 2.69Å; V478-I516 HydrophobicContact CG1-CG2 4.04Å; V478-F519 HydrophobicContact CG1-CD1 4.07Å; V478-L520 HydrophobicContact CG1-CD1 4Å; V478-L520 HydrophobicContact CG1-CD2 3.78Å; V478-L520 HydrophobicContact CG1-CG 3.76Å; V478-L520 HydrophobicContact CG2-CD2 4.4Å
479L98.7Very high97.6Very high1 Ų122.8 Ų22.81%0.00511%0.113CC..Hα-helixtrans-60.4-44.7177.3178.260.5000111.1F451 L455 L463 V475 A481 A482 V483 V512 I516F451-L479 HydrophobicContact CD1-CD2 4.05Å; F451-L479 HydrophobicContact CD2-CD2 3.94Å; F451-L479 HydrophobicContact CE1-CD2 3.98Å; F451-L479 HydrophobicContact CE1-CG 4.14Å; F451-L479 HydrophobicContact CE2-CB 4.22Å; F451-L479 HydrophobicContact CE2-CD2 3.88Å; F451-L479 HydrophobicContact CE2-CG 4.11Å; F451-L479 HydrophobicContact CG-CD2 4.03Å; F451-L479 HydrophobicContact CZ-CB 4.24Å; F451-L479 HydrophobicContact CZ-CD2 3.89Å; F451-L479 HydrophobicContact CZ-CG 3.82Å; L455-L479 HydrophobicContact CD1-CD2 4.01Å; L463-L479 HydrophobicContact CD1-CD2 4.02Å; L463-L479 HydrophobicContact CD2-CD2 3.72Å; L463-L479 HydrophobicContact CG-CD2 4.42Å; V475-L479 WeakPolarHBondContact O-CB 3.27Å; V475-L479 PolarHBondContact O-N 3.36Å; L479-A481 VanDerWaalsContact C-N 3.3Å; L479-A481 PolarHBondContact O-N 3.11Å; L479-A482 WeakPolarHBondContact O-CB 3.32Å; L479-A482 PolarHBondContact O-N 2.86Å; L479-A482 VanDerWaalsContact O-N 3.12Å; L479-V483 HydrophobicContact CD1-CG2 4.29Å; L479-V483 HydrophobicContact CG-CG2 4.48Å; L479-V483 WeakPolarHBondContact O-CG2 3.4Å; L479-V483 PolarHBondContact O-N 3.28Å; L479-V512 HydrophobicContact CD1-CG1 4.16Å; L479-V512 HydrophobicContact CD1-CG2 4.41Å; L479-V512 HydrophobicContact CD2-CG1 4.02Å; L479-V512 HydrophobicContact CD2-CG2 4.12Å; L479-I516 HydrophobicContact CB-CD1 4.29Å; L479-I516 HydrophobicContact CB-CG1 4.25Å; L479-I516 HydrophobicContact CD1-CD1 4.37Å; L479-I516 HydrophobicContact CD1-CG1 4.09Å
480A98.6Very high97.6Very high0 Ų026.5 Ų26.50%013%0.133CC..Hα-helixtrans-56.7-44.7176.900000111.8F417 A443 M447 F451 V476 A477 V478 V483 F484F417-A480 HydrophobicContact CD2-CB 3.6Å; F417-A480 HydrophobicContact CE2-CB 3.91Å; F417-A480 HydrophobicContact CG-CB 4.49Å; A443-A480 HydrophobicContact CB-CB 4.37Å; M447-A480 HydrophobicContact CG-CB 4.24Å; M447-A480 HydrophobicContact SD-CB 4.37Å; F451-A480 HydrophobicContact CE2-CB 4.44Å; F451-A480 HydrophobicContact CZ-CB 4.01Å; V476-A480 PolarHBondContact O-N 3.49Å; V476-A480 VanDerWaalsContact O-N 3.1Å; A477-A480 PolarHBondContact O-N 3.05Å; V478-A480 VanDerWaalsContact C-N 3.34Å; V478-A480 PolarHBondContact O-N 2.93Å; A480-V483 PolarHBondContact O-N 3.21Å; A480-F484 WeakPolarHBondContact O-CD2 3.4Å; A480-F484 PolarHBondContact O-N 3.01Å
481A98.3Very high97.7Very high0 Ų025.3 Ų25.30%013%0.128CC..Hα-helixtrans-65.5-39.8175.900000112.1F417 L420 A477 V478 L479 V483 F484 A485 F519F417-A481 HydrophobicContact CD2-CB 4.1Å; F417-A481 HydrophobicContact CE2-CB 4.46Å; L420-A481 HydrophobicContact CB-CB 3.88Å; L420-A481 HydrophobicContact CD1-CB 4.17Å; A477-A481 PolarHBondContact O-N 3.34Å; V478-A481 PolarHBondContact O-N 3.31Å; L479-A481 VanDerWaalsContact C-N 3.3Å; L479-A481 PolarHBondContact O-N 3.11Å; A481-V483 VanDerWaalsContact C-N 3.34Å; A481-V483 PolarHBondContact O-N 3.17Å; A481-F484 PolarHBondContact O-N 3.07Å; A481-A485 PolarHBondContact O-N 3.16Å; A481-F519 HydrophobicContact CB-CE1 3.94Å; A481-F519 HydrophobicContact CB-CE2 4.13Å; A481-F519 HydrophobicContact CB-CZ 3.59Å
482A98.2Very high97.8Very high2 Ų226.7 Ų26.72%0.01713%0.134CC..Hα-helixtrans-62.8-36.8176.900000112.8V478 L479 A485 F486 L515 F519V478-A482 WeakPolarHBondContact O-CB 3.03Å; V478-A482 PolarHBondContact O-N 2.69Å; L479-A482 WeakPolarHBondContact O-CB 3.32Å; L479-A482 PolarHBondContact O-N 2.86Å; L479-A482 VanDerWaalsContact O-N 3.12Å; A482-A485 PolarHBondContact O-N 3.3Å; A482-F486 WeakPolarHBondContact O-CB 3.46Å; A482-F486 PolarHBondContact O-N 3.39Å; A482-L515 HydrophobicContact CB-CB 4.25Å; A482-F519 HydrophobicContact CB-CB 3.61Å; A482-F519 HydrophobicContact CB-CD1 4.47Å; A482-F519 HydrophobicContact CB-CD2 4.22Å; A482-F519 HydrophobicContact CB-CG 3.85Å
483V98.4Very high97.9Very high0 Ų033.7 Ų33.70%017%0.166CC..Hα-helixtrans-62.1-45.2174.3173.60000111.1W446 L479 A480 A481 A485 F486 R487 L504 L507 L510W446-V483 HydrophobicContact CH2-CG1 4.19Å; W446-V483 HydrophobicContact CZ3-CB 4.42Å; W446-V483 HydrophobicContact CZ3-CG1 4.14Å; L479-V483 HydrophobicContact CD1-CG2 4.29Å; L479-V483 HydrophobicContact CG-CG2 4.48Å; L479-V483 WeakPolarHBondContact O-CG2 3.4Å; L479-V483 PolarHBondContact O-N 3.28Å; A480-V483 PolarHBondContact O-N 3.21Å; A481-V483 VanDerWaalsContact C-N 3.34Å; A481-V483 PolarHBondContact O-N 3.17Å; V483-A485 VanDerWaalsContact C-N 3.32Å; V483-A485 PolarHBondContact O-N 3.33Å; V483-F486 PolarHBondContact O-N 3.4Å; V483-R487 PolarHBondContact O-N 3.14Å; V483-R487 VanDerWaalsContact O-N 3.11Å; V483-L504 HydrophobicContact CG1-CD2 3.92Å; V483-L507 HydrophobicContact CG1-CD2 3.75Å; V483-L510 HydrophobicContact CB-CD1 4.4Å; V483-L510 HydrophobicContact CG1-CD1 4.01Å; V483-L510 HydrophobicContact CG2-CD1 3.62Å
484F98.3Very high97.9Very high0 Ų034.2 Ų34.20%017%0.169CC..Hα-helixtrans-63.4-40.7175.8-86.4-102.6000111.6F417 L421 L432 P439 I442 A443 W446 A480 A481 R487 A488 L491 L504F417-F484 AromaticContact CE2-CD2 3.88Å; F417-F484 HydrophobicContact CE2-CD2 3.88Å; F417-F484 HydrophobicContact CE2-CE2 4.09Å; F417-F484 AromaticContact CZ-CD2 3.94Å; F417-F484 HydrophobicContact CZ-CD2 3.94Å; F417-F484 AromaticContact CZ-CE2 3.79Å; F417-F484 HydrophobicContact CZ-CE2 3.79Å; F417-F484 HydrophobicContact CZ-CZ 4.24Å; L421-F484 HydrophobicContact CD1-CB 3.74Å; L421-F484 HydrophobicContact CD1-CG 4.45Å; L421-F484 HydrophobicContact CD2-CB 4.36Å; L421-F484 HydrophobicContact CD2-CD1 4Å; L421-F484 HydrophobicContact CD2-CG 4.2Å; L432-F484 HydrophobicContact CD1-CD1 3.98Å; L432-F484 HydrophobicContact CD1-CE1 3.8Å; P439-F484 HydrophobicContact CB-CD1 4.42Å; P439-F484 HydrophobicContact CB-CE1 3.79Å; P439-F484 HydrophobicContact CB-CZ 4.01Å; P439-F484 HydrophobicContact CG-CE1 4.42Å; I442-F484 HydrophobicContact CB-CZ 4.24Å; I442-F484 HydrophobicContact CG2-CZ 4.43Å; A443-F484 HydrophobicContact CB-CE2 4.06Å; W446-F484 AromaticContact CH2-CE2 3.95Å; W446-F484 HydrophobicContact CH2-CE2 3.95Å; W446-F484 HydrophobicContact CZ3-CD2 4.18Å; W446-F484 AromaticContact CZ3-CE2 3.69Å; W446-F484 HydrophobicContact CZ3-CE2 3.69Å; A480-F484 WeakPolarHBondContact O-CD2 3.4Å; A480-F484 PolarHBondContact O-N 3.01Å; A481-F484 PolarHBondContact O-N 3.07Å; F484-R487 CarbonylContact O-C 3.56Å; F484-R487 PolarHBondContact O-N 3.21Å; F484-A488 WeakPolarHBondContact O-CA 3.39Å; F484-A488 PolarHBondContact O-N 3.44Å; F484-L491 HydrophobicContact CD1-CD1 3.81Å; F484-L491 HydrophobicContact CE1-CD1 4.38Å; F484-L491 HydrophobicContact CG-CD1 4.43Å; F484-L504 HydrophobicContact CD1-CD1 4.28Å; F484-L504 HydrophobicContact CE1-CD1 3.67Å; F484-L504 HydrophobicContact CE2-CD1 3.96Å; F484-L504 HydrophobicContact CZ-CD1 3.5Å
485A97.4Very high97.9Very high33 Ų3339.6 Ų39.627%0.27320%0.202SC..Hα-helixtrans-63.6-41.7176.800000112.7L425 A481 A482 V483 R487 A488 F519L425-A485 VanDerWaalsContact CD1-CA 3.41Å; L425-A485 HydrophobicContact CD1-CB 3.61Å; A481-A485 PolarHBondContact O-N 3.16Å; A482-A485 PolarHBondContact O-N 3.3Å; V483-A485 VanDerWaalsContact C-N 3.32Å; V483-A485 PolarHBondContact O-N 3.33Å; A485-R487 VanDerWaalsContact C-N 3.29Å; A485-R487 PolarHBondContact O-N 2.87Å; A485-A488 WeakPolarHBondContact O-CB 3.45Å; A485-A488 PolarHBondContact O-N 3.24Å; A485-F519 HydrophobicContact CB-CD2 3.74Å; A485-F519 HydrophobicContact CB-CE2 3.95Å
486F97.1Very high97.8Very high117 Ų11741.9 Ų41.951%0.51322%0.218SC..Hα-helixtrans-64.8-33.3177.4180-108.9000113.2A482 V483 L510 L515A482-F486 WeakPolarHBondContact O-CB 3.46Å; A482-F486 PolarHBondContact O-N 3.39Å; V483-F486 PolarHBondContact O-N 3.4Å; F486-L510 HydrophobicContact CD1-CD2 3.8Å; F486-L510 HydrophobicContact CE1-CD2 3.69Å; F486-L515 HydrophobicContact CB-CD2 3.57Å; F486-L515 HydrophobicContact CD1-CD2 4.34Å; F486-L515 HydrophobicContact CD2-CD2 3.57Å; F486-L515 HydrophobicContact CE2-CD2 4.35Å; F486-L515 HydrophobicContact CG-CD2 3.56Å
487R97.3Very high97.8Very high57 Ų5745.1 Ų45.122%0.21524%0.235CC..THydrogen-bonded Turntrans-97.212.8178.5-59.8-63.5-164.8-179.33.8113V483 F484 A485 E489 N490 L491 V503 L504V483-R487 PolarHBondContact O-N 3.14Å; V483-R487 VanDerWaalsContact O-N 3.11Å; F484-R487 CarbonylContact O-C 3.56Å; F484-R487 PolarHBondContact O-N 3.21Å; A485-R487 VanDerWaalsContact C-N 3.29Å; A485-R487 PolarHBondContact O-N 2.87Å; R487-E489 PolarHBondContact O-N 3.18Å; R487-N490 PolarHBondContact O-N 2.97Å; R487-L491 HydrophobicContact CB-CD1 4.02Å; R487-L491 HydrophobicContact CB-CG 4.21Å; R487-L491 WeakPolarHBondContact O-CB 3.39Å; R487-L491 VanDerWaalsContact O-CG 3.28Å; R487-L491 WeakPolarHBondContact O-CG 3.34Å; R487-L491 PolarHBondContact O-N 3.02Å; R487-V503 HydrophobicContact CB-CG1 4.04Å; R487-V503 HydrophobicContact CG-CG1 4.45Å; R487-L504 HydrophobicContact CB-CD2 4.15Å; R487-L504 HydrophobicContact CG-CD2 4.05Å
488A97.1Very high97.7Very high17 Ų1748.2 Ų48.214%0.1426%0.261CS..Hα-helixtrans-58.9-44-168.400000113.3L425 L428 F484 A485 L491 M492L425-A488 HydrophobicContact CD1-CB 4.28Å; L428-A488 HydrophobicContact CD2-CB 3.95Å; F484-A488 WeakPolarHBondContact O-CA 3.39Å; F484-A488 PolarHBondContact O-N 3.44Å; A485-A488 WeakPolarHBondContact O-CB 3.45Å; A485-A488 PolarHBondContact O-N 3.24Å; A488-L491 PolarHBondContact O-N 2.95Å; A488-M492 WeakPolarHBondContact O-CG 3.44Å; A488-M492 PolarHBondContact O-N 3.07Å
489E97Very high97.6Very high163 Ų16349.9 Ų49.976%0.76227%0.273SS*.Hα-helixtrans-58.8-53.8179.1-66.1-177168.900111.3R487 L491 M492R487-E489 PolarHBondContact O-N 3.18Å; E489-L491 VanDerWaalsContact C-N 3.27Å; E489-L491 PolarHBondContact O-N 3.42Å; E489-M492 WeakPolarHBondContact O-CB 3.42Å; E489-M492 PolarHBondContact O-N 2.97Å; E489-M492 VanDerWaalsContact O-N 3.1Å
490N97.4Very high97.6Very high77 Ų7749.9 Ų49.941%0.41227%0.272SS..Hα-helixtrans-59.5-38.5177.1-64.1-27.8000112.1R487 M492 E493 V494 V503R487-N490 PolarHBondContact O-N 2.97Å; N490-M492 VanDerWaalsContact C-N 3.32Å; N490-M492 PolarHBondContact O-N 3.11Å; N490-E493 PolarHBondContact O-N 3.19Å; N490-V494 WeakPolarHBondContact O-CG1 3.49Å; N490-V503 HydrophobicContact CB-CG1 3.86Å; N490-V503 HydrophobicContact CB-CG2 4.35Å
491L98Very high97.5Very high0 Ų053.9 Ų53.90%029%0.291CS..Hα-helixtrans-71.4-24.7179.3-70.7170.1000113.2L428 H431 L432 F484 R487 A488 E489 E493 V494 A500 V503 L504L428-L491 HydrophobicContact CD1-CB 3.53Å; L428-L491 HydrophobicContact CD1-CD1 4.49Å; L428-L491 HydrophobicContact CD2-CD1 4.31Å; H431-L491 PolarHBondContact CD2-O 2.69Å; H431-L491 VanDerWaalsContact CD2-O 3.29Å; H431-L491 PolarHBondContact NE2-O 3.38Å; L432-L491 HydrophobicContact CD2-CD2 4.45Å; F484-L491 HydrophobicContact CD1-CD1 3.81Å; F484-L491 HydrophobicContact CE1-CD1 4.38Å; F484-L491 HydrophobicContact CG-CD1 4.43Å; R487-L491 HydrophobicContact CB-CD1 4.02Å; R487-L491 HydrophobicContact CB-CG 4.21Å; R487-L491 WeakPolarHBondContact O-CB 3.39Å; R487-L491 VanDerWaalsContact O-CG 3.28Å; R487-L491 WeakPolarHBondContact O-CG 3.34Å; R487-L491 PolarHBondContact O-N 3.02Å; A488-L491 PolarHBondContact O-N 2.95Å; E489-L491 VanDerWaalsContact C-N 3.27Å; E489-L491 PolarHBondContact O-N 3.42Å; L491-E493 PolarHBondContact O-N 2.99Å; L491-V494 WeakPolarHBondContact O-CG2 2.85Å; L491-A500 HydrophobicContact CD2-CB 4.25Å; L491-V503 HydrophobicContact CD2-CB 4.04Å; L491-V503 HydrophobicContact CD2-CG1 3.82Å; L491-V503 HydrophobicContact CG-CG1 3.97Å; L491-L504 HydrophobicContact CD1-CD1 4.26Å; L491-L504 HydrophobicContact CD1-CD2 4.3Å; L491-L504 HydrophobicContact CD1-CG 4.49Å; L491-L504 HydrophobicContact CD2-CD1 3.97Å; L491-L504 HydrophobicContact CD2-CG 4.07Å
492M97.9Very high97.4Very high80 Ų8057.1 Ų57.139%0.39432%0.318SS..Hα-helixtrans-70.6-23172.8-75.2-60-58.900112.3L428 H431 A488 E489 N490L428-M492 VanDerWaalsContact CA-SD 3.55Å; L428-M492 HydrophobicContact CB-SD 3.98Å; L428-M492 HydrophobicContact CD1-CG 4.14Å; L428-M492 HydrophobicContact CD1-SD 3.82Å; H431-M492 HydrophobicContact CB-CE 4.26Å; H431-M492 HydrophobicContact CB-SD 4.12Å; H431-M492 PolarHBondContact NE2-O 3.41Å; A488-M492 WeakPolarHBondContact O-CG 3.44Å; A488-M492 PolarHBondContact O-N 3.07Å; E489-M492 WeakPolarHBondContact O-CB 3.42Å; E489-M492 PolarHBondContact O-N 2.97Å; E489-M492 VanDerWaalsContact O-N 3.1Å; N490-M492 VanDerWaalsContact C-N 3.32Å; N490-M492 PolarHBondContact O-N 3.11Å
493E97.5Very high97.4Very high156 Ų15658.9 Ų58.973%0.72933%0.328SS*.Hα-helixtrans-87.7-15180-61.7-175.1168.200113.5N490 L491N490-E493 PolarHBondContact O-N 3.19Å; L491-E493 PolarHBondContact O-N 2.99Å
494V97.7Very high97.3Very high11 Ų1159 Ų597%0.06733%0.329CS..  trans-72.2145-178.7-59.30000112H431 L432 I435 N490 L491 A500 V503H431-V494 PolarHBondContact CE1-O 2.94Å; H431-V494 PolarHBondContact NE2-O 2.87Å; L432-V494 HydrophobicContact CD2-CG2 3.98Å; I435-V494 HydrophobicContact CD1-CG2 3.62Å; N490-V494 WeakPolarHBondContact O-CG1 3.49Å; L491-V494 WeakPolarHBondContact O-CG2 2.85Å; V494-A500 HydrophobicContact CG2-CB 3.94Å; V494-V503 HydrophobicContact CG1-CG2 3.82Å
495T97.3Very high97Very high117 Ų11762.3 Ų62.372%0.71836%0.357SS*.  trans-117.2-1.2-177.854.70000113.6
496S97.3Very high96.8Very high48 Ų4864.6 Ų64.634%0.33636%0.364SS..SBendtrans-146.2161.1179.574.80000112.8A498 S499 A500S496-A498 VanDerWaalsContact C-N 3.33Å; S496-A498 PolarHBondContact O-N 2.88Å; S496-S499 PolarHBondContact N-OG 3.26Å; S496-S499 PolarHBondContact O-N 3.29Å; S496-S499 PolarHBondContact O-OG 3.2Å; S496-S499 PolarHBondContact OG-N 3.48Å; S496-S499 PolarHBondContact OG-OG 3.47Å; S496-A500 PolarHBondContact O-N 3.25Å; S496-A500 VanDerWaalsContact O-N 3.07Å
497L96.9Very high96.6Very high68 Ų6859.1 Ų59.136%0.35634%0.34SS..Hα-helixtrans-55.4-45.6171171.163.1000112.2A437 I442 S499 A500 E501A437-L497 HydrophobicContact CB-CB 4.35Å; A437-L497 HydrophobicContact CB-CD1 4.06Å; I442-L497 HydrophobicContact CD1-CD1 4.2Å; I442-L497 HydrophobicContact CG1-CD1 4.26Å; L497-S499 VanDerWaalsContact C-N 3.33Å; L497-S499 PolarHBondContact O-N 3.34Å; L497-A500 WeakPolarHBondContact O-CB 3.29Å; L497-A500 PolarHBondContact O-N 2.93Å; L497-A500 VanDerWaalsContact O-N 3.13Å; L497-E501 HydrophobicContact CD1-CG 3.88Å; L497-E501 HydrophobicContact CG-CG 4.35Å; L497-E501 WeakPolarHBondContact O-CG 3.29Å; L497-E501 PolarHBondContact O-N 3.34Å
498A97.3Very high96.2Very high66 Ų6658.1 Ų58.155%0.54534%0.342SS..Hα-helixtrans-62.1-40.2-178.100000112.2S496 E501 A502S496-A498 VanDerWaalsContact C-N 3.33Å; S496-A498 PolarHBondContact O-N 2.88Å; A498-E501 PolarHBondContact O-N 3.33Å; A498-A502 WeakPolarHBondContact O-CB 3.46Å; A498-A502 PolarHBondContact O-N 2.77Å
499S97.3Very high96Very high35 Ų3561.6 Ų61.625%0.24536%0.362CS..Hα-helixtrans-66.7-38.5174.243.70000112.6S496 L497 A502 V503S496-S499 PolarHBondContact N-OG 3.26Å; S496-S499 PolarHBondContact O-N 3.29Å; S496-S499 PolarHBondContact O-OG 3.2Å; S496-S499 PolarHBondContact OG-N 3.48Å; S496-S499 PolarHBondContact OG-OG 3.47Å; L497-S499 VanDerWaalsContact C-N 3.33Å; L497-S499 PolarHBondContact O-N 3.34Å; S499-A502 PolarHBondContact O-N 3.44Å; S499-V503 WeakPolarHBondContact O-CG2 3.35Å; S499-V503 PolarHBondContact O-N 3.39Å
500A97.5Very high95.9Very high0 Ų054.1 Ų54.10%033%0.327CS..Hα-helixtrans-64.4-43174.900000111.5L432 A437 I442 L491 V494 S496 L497 A502 V503 L504L432-A500 HydrophobicContact CD2-CB 4.21Å; A437-A500 HydrophobicContact CB-CB 3.93Å; I442-A500 HydrophobicContact CD1-CB 4.18Å; L491-A500 HydrophobicContact CD2-CB 4.25Å; V494-A500 HydrophobicContact CG2-CB 3.94Å; S496-A500 PolarHBondContact O-N 3.25Å; S496-A500 VanDerWaalsContact O-N 3.07Å; L497-A500 WeakPolarHBondContact O-CB 3.29Å; L497-A500 PolarHBondContact O-N 2.93Å; L497-A500 VanDerWaalsContact O-N 3.13Å; A500-A502 VanDerWaalsContact C-N 3.31Å; A500-A502 PolarHBondContact O-N 2.86Å; A500-V503 PolarHBondContact O-N 3.26Å; A500-L504 WeakPolarHBondContact O-CG 3.49Å; A500-L504 PolarHBondContact O-N 2.94Å
501E96.6Very high95.8Very high85 Ų8555.5 Ų55.540%0.39733%0.329SS..Hα-helixtrans-63-37.3174.7-72.6-178.6145.400111.8I442 L497 A498 L504 A505I442-E501 HydrophobicContact CD1-CG 4.31Å; I442-E501 HydrophobicContact CG1-CG 4.25Å; L497-E501 HydrophobicContact CD1-CG 3.88Å; L497-E501 HydrophobicContact CG-CG 4.35Å; L497-E501 WeakPolarHBondContact O-CG 3.29Å; L497-E501 PolarHBondContact O-N 3.34Å; A498-E501 PolarHBondContact O-N 3.33Å; E501-L504 CarbonylContact O-C 3.58Å; E501-L504 PolarHBondContact O-N 2.93Å; E501-A505 WeakPolarHBondContact O-CA 3.41Å; E501-A505 WeakPolarHBondContact O-CB 3.47Å; E501-A505 PolarHBondContact O-N 3.25Å
502A96.8Very high95.7Very high67 Ų6755.5 Ų55.555%0.55433%0.329SS*.Hα-helixtrans-65.2-44.1176.300000112.4A498 S499 A500 L504 A505A498-A502 WeakPolarHBondContact O-CB 3.46Å; A498-A502 PolarHBondContact O-N 2.77Å; S499-A502 PolarHBondContact O-N 3.44Å; A500-A502 VanDerWaalsContact C-N 3.31Å; A500-A502 PolarHBondContact O-N 2.86Å; A502-L504 PolarHBondContact O-N 3.26Å; A502-A505 WeakPolarHBondContact O-CB 3.47Å; A502-A505 PolarHBondContact O-N 2.96Å
503V97Very high95.7Very high39 Ų3951.7 Ų51.724%0.23631%0.31CS..Hα-helixtrans-60.1-29.8175.1170.60000111.7R487 N490 L491 V494 S499 A500R487-V503 HydrophobicContact CB-CG1 4.04Å; R487-V503 HydrophobicContact CG-CG1 4.45Å; N490-V503 HydrophobicContact CB-CG1 3.86Å; N490-V503 HydrophobicContact CB-CG2 4.35Å; L491-V503 HydrophobicContact CD2-CB 4.04Å; L491-V503 HydrophobicContact CD2-CG1 3.82Å; L491-V503 HydrophobicContact CG-CG1 3.97Å; V494-V503 HydrophobicContact CG1-CG2 3.82Å; S499-V503 WeakPolarHBondContact O-CG2 3.35Å; S499-V503 PolarHBondContact O-N 3.39Å; A500-V503 PolarHBondContact O-N 3.26Å
504L96.8Very high95.5Very high2 Ų245.9 Ų45.91%0.0129%0.286CS..THydrogen-bonded Turntrans-10611-177.2-64.9171.9000113.6I442 W446 V483 F484 R487 L491 A500 E501 A502I442-L504 HydrophobicContact CD1-CD1 4.3Å; I442-L504 HydrophobicContact CG2-CB 4.36Å; I442-L504 HydrophobicContact CG2-CD1 3.96Å; W446-L504 HydrophobicContact CH2-CB 3.97Å; W446-L504 HydrophobicContact CH2-CD1 4.2Å; W446-L504 HydrophobicContact CH2-CD2 4.15Å; W446-L504 HydrophobicContact CH2-CG 4.34Å; W446-L504 HydrophobicContact CZ2-CB 4.02Å; V483-L504 HydrophobicContact CG1-CD2 3.92Å; F484-L504 HydrophobicContact CD1-CD1 4.28Å; F484-L504 HydrophobicContact CE1-CD1 3.67Å; F484-L504 HydrophobicContact CE2-CD1 3.96Å; F484-L504 HydrophobicContact CZ-CD1 3.5Å; R487-L504 HydrophobicContact CB-CD2 4.15Å; R487-L504 HydrophobicContact CG-CD2 4.05Å; L491-L504 HydrophobicContact CD1-CD1 4.26Å; L491-L504 HydrophobicContact CD1-CD2 4.3Å; L491-L504 HydrophobicContact CD1-CG 4.49Å; L491-L504 HydrophobicContact CD2-CD1 3.97Å; L491-L504 HydrophobicContact CD2-CG 4.07Å; A500-L504 WeakPolarHBondContact O-CG 3.49Å; A500-L504 PolarHBondContact O-N 2.94Å; E501-L504 CarbonylContact O-C 3.58Å; E501-L504 PolarHBondContact O-N 2.93Å; A502-L504 PolarHBondContact O-N 3.26Å
505A92.7Very high95.4Very high71 Ų7146.1 Ų46.159%0.58729%0.287SS*.SBendtrans-72.4-44.9-173.700000111.6E501 A502E501-A505 WeakPolarHBondContact O-CA 3.41Å; E501-A505 WeakPolarHBondContact O-CB 3.47Å; E501-A505 PolarHBondContact O-N 3.25Å; A502-A505 WeakPolarHBondContact O-CB 3.47Å; A502-A505 PolarHBondContact O-N 2.96Å
506D91.7Very high95.4Very high80 Ų8040.6 Ų40.643%0.42825%0.253SS..  trans-104112.4-177.4179.624.4000111.7S508D506-S508 WeakPolarHBondContact OD1-CB 3.43Å; D506-S508 PolarHBondContact OD1-N 3.24Å; D506-S508 PolarHBondContact OD1-OG 3.45Å; D506-S508 PolarHBondContact OD2-OG 2.89Å
507L94.6Very high95.3Very high2 Ų239 Ų391%0.0124%0.24CC..  trans-108.30.9174.6-49.7-172.5000112.4W446 F451 Y454 L455 V483 T509 L510W446-L507 HydrophobicContact CD2-CD1 3.9Å; W446-L507 HydrophobicContact CE3-CD1 4.28Å; W446-L507 HydrophobicContact CG-CD1 4.33Å; W446-L507 HydrophobicContact CH2-CD1 4.29Å; W446-L507 HydrophobicContact CZ2-CD1 3.89Å; W446-L507 HydrophobicContact CZ2-CD2 4.37Å; W446-L507 HydrophobicContact CZ2-CG 4.49Å; W446-L507 HydrophobicContact CZ3-CD1 4.46Å; F451-L507 HydrophobicContact CD1-CD1 4.23Å; F451-L507 HydrophobicContact CE1-CD1 3.99Å; Y454-L507 CarbonylContact O-C 3.36Å; Y454-L507 WeakPolarHBondContact O-CB 3.38Å; L455-L507 HydrophobicContact CD2-CB 4.07Å; V483-L507 HydrophobicContact CG1-CD2 3.75Å; L507-T509 PolarHBondContact O-N 3.32Å; L507-L510 HydrophobicContact CB-CD1 3.98Å; L507-L510 HydrophobicContact CB-CG 4.39Å; L507-L510 HydrophobicContact CD2-CD1 3.83Å; L507-L510 HydrophobicContact CG-CD1 4.4Å; L507-L510 WeakPolarHBondContact O-CB 3.44Å; L507-L510 WeakPolarHBondContact O-CG 3.43Å; L507-L510 PolarHBondContact O-N 3.23Å; L507-L510 VanDerWaalsContact O-N 3.14Å
508S89Confident95.2Very high36 Ų3640.1 Ų40.125%0.25225%0.246SC..THydrogen-bonded Turntrans-62.6-30.6-171.766.20000113.1Y454 S456 D506Y454-S508 PolarHBondContact O-N 3.04Å; S456-S508 WeakPolarHBondContact CB-O 3.35Å; S456-S508 PolarHBondContact OG-O 2.6Å; D506-S508 WeakPolarHBondContact OD1-CB 3.43Å; D506-S508 PolarHBondContact OD1-N 3.24Å; D506-S508 PolarHBondContact OD1-OG 3.45Å; D506-S508 PolarHBondContact OD2-OG 2.89Å
509T91.3Very high95.1Very high91 Ų9137.1 Ų37.156%0.55822%0.221SC*.THydrogen-bonded Turntrans-84.7-9.3-178.156.50000114.1L507L507-T509 PolarHBondContact O-N 3.32Å
510L95.2Very high95Very high6 Ų635.5 Ų35.53%0.03121%0.209CC..  trans-71.4139.2-175-63.1-173000112.2L455 Q459 V483 F486 L507 L515L455-L510 HydrophobicContact CD2-CB 4.46Å; Q459-L510 WeakPolarHBondContact CG-O 3.45Å; V483-L510 HydrophobicContact CB-CD1 4.4Å; V483-L510 HydrophobicContact CG1-CD1 4.01Å; V483-L510 HydrophobicContact CG2-CD1 3.62Å; F486-L510 HydrophobicContact CD1-CD2 3.8Å; F486-L510 HydrophobicContact CE1-CD2 3.69Å; L507-L510 HydrophobicContact CB-CD1 3.98Å; L507-L510 HydrophobicContact CB-CG 4.39Å; L507-L510 HydrophobicContact CD2-CD1 3.83Å; L507-L510 HydrophobicContact CG-CD1 4.4Å; L507-L510 WeakPolarHBondContact O-CB 3.44Å; L507-L510 WeakPolarHBondContact O-CG 3.43Å; L507-L510 PolarHBondContact O-N 3.23Å; L507-L510 VanDerWaalsContact O-N 3.14Å; L510-L515 HydrophobicContact CB-CD1 3.9Å; L510-L515 HydrophobicContact CD1-CD1 4.03Å; L510-L515 HydrophobicContact CD2-CD1 4.21Å; L510-L515 HydrophobicContact CG-CD1 4.28Å
511K95.9Very high94.8Very high105 Ų10537.4 Ų37.446%0.45722%0.217SC..  trans-94.6105.7171-58.5-58-174.7-179.20109.6P514 L515K511-P514 HydrophobicContact CB-CB 4.39Å; K511-P514 HydrophobicContact CB-CG 3.78Å; K511-P514 WeakPolarHBondContact O-CD 3.29Å; K511-L515 WeakPolarHBondContact O-CB 3.43Å; K511-L515 VanDerWaalsContact O-CG 3.24Å; K511-L515 WeakPolarHBondContact O-CG 3.28Å; K511-L515 PolarHBondContact O-N 3.38Å
512V96.4Very high94.3Very high0 Ų036 Ų360%022%0.221CC..Hα-helixtrans-63.4-50-168.1166.90000112.3L455 Q459 L463 L479 L515 I516L455-V512 HydrophobicContact CD1-CG2 3.62Å; L455-V512 HydrophobicContact CD2-CG2 4.06Å; L455-V512 HydrophobicContact CG-CG2 4.44Å; Q459-V512 HydrophobicContact CB-CB 4.5Å; Q459-V512 HydrophobicContact CB-CG2 3.79Å; L463-V512 HydrophobicContact CB-CG1 4.14Å; L463-V512 HydrophobicContact CD1-CG1 4.23Å; L479-V512 HydrophobicContact CD1-CG1 4.16Å; L479-V512 HydrophobicContact CD1-CG2 4.41Å; L479-V512 HydrophobicContact CD2-CG1 4.02Å; L479-V512 HydrophobicContact CD2-CG2 4.12Å; V512-L515 PolarHBondContact O-N 3.16Å; V512-I516 HydrophobicContact CG1-CD1 3.67Å; V512-I516 WeakPolarHBondContact O-CG1 3.37Å; V512-I516 PolarHBondContact O-N 2.83Å
513I96.3Very high93.2Very high0 Ų034.9 Ų34.90%021%0.207CC..Hα-helixtrans-66.1-49.5-174.7-51.9-59.7000110.9L203 Q209 I212 L462 R466 L515 I516 Q517L203-I513 HydrophobicContact CD2-CG2 4.39Å; Q209-I513 HydrophobicContact CB-CG2 4.01Å; Q209-I513 HydrophobicContact CG-CG2 3.83Å; I212-I513 HydrophobicContact CD1-CB 4.08Å; I212-I513 HydrophobicContact CD1-CG2 3.7Å; I212-I513 HydrophobicContact CG1-CB 4.23Å; I212-I513 HydrophobicContact CG1-CG2 4.22Å; L462-I513 HydrophobicContact CB-CD1 4.14Å; L462-I513 HydrophobicContact CB-CG1 4.11Å; L462-I513 HydrophobicContact CD1-CG1 4.24Å; R466-I513 HydrophobicContact CG-CD1 4.18Å; I513-L515 VanDerWaalsContact C-N 3.28Å; I513-L515 PolarHBondContact O-N 3.07Å; I513-I516 PolarHBondContact O-N 2.73Å; I513-Q517 HydrophobicContact CG2-CG 4.2Å; I513-Q517 WeakPolarHBondContact O-CG 3.4Å; I513-Q517 PolarHBondContact O-N 3.21Å
514P95.1Very high91.3Very high35 Ų3538 Ų3823%0.22724%0.237CC..Hα-helixtrans-53.6-43.1174.4-2935.4000113.6I212 K511 I516 Q517 I518I212-P514 HydrophobicContact CD1-CB 4.4Å; I212-P514 HydrophobicContact CD1-CG 3.71Å; I212-P514 HydrophobicContact CG1-CG 3.75Å; K511-P514 HydrophobicContact CB-CB 4.39Å; K511-P514 HydrophobicContact CB-CG 3.78Å; K511-P514 WeakPolarHBondContact O-CD 3.29Å; P514-I516 PolarHBondContact O-N 3.12Å; P514-Q517 PolarHBondContact O-N 3.35Å; P514-I518 WeakPolarHBondContact O-CB 3.03Å; P514-I518 VanDerWaalsContact O-CG1 3.25Å; P514-I518 WeakPolarHBondContact O-CG1 3.5Å; P514-I518 PolarHBondContact O-N 3.44Å
515L95.6Very high89.2Confident15 Ų1544.3 Ų44.38%0.07927%0.269CS..Hα-helixtrans-61.5-46.4179.5-75.7177.2000112.4A482 F486 L510 K511 V512 I513 F519A482-L515 HydrophobicContact CB-CB 4.25Å; F486-L515 HydrophobicContact CB-CD2 3.57Å; F486-L515 HydrophobicContact CD1-CD2 4.34Å; F486-L515 HydrophobicContact CD2-CD2 3.57Å; F486-L515 HydrophobicContact CE2-CD2 4.35Å; F486-L515 HydrophobicContact CG-CD2 3.56Å; L510-L515 HydrophobicContact CB-CD1 3.9Å; L510-L515 HydrophobicContact CD1-CD1 4.03Å; L510-L515 HydrophobicContact CD2-CD1 4.21Å; L510-L515 HydrophobicContact CG-CD1 4.28Å; K511-L515 WeakPolarHBondContact O-CB 3.43Å; K511-L515 VanDerWaalsContact O-CG 3.24Å; K511-L515 WeakPolarHBondContact O-CG 3.28Å; K511-L515 PolarHBondContact O-N 3.38Å; V512-L515 PolarHBondContact O-N 3.16Å; I513-L515 VanDerWaalsContact C-N 3.28Å; I513-L515 PolarHBondContact O-N 3.07Å; L515-F519 VanDerWaalsContact O-CB 3.26Å; L515-F519 WeakPolarHBondContact O-CB 3.38Å; L515-F519 PolarHBondContact O-N 3.13Å
516I96.8Very high89Confident1 Ų143 Ų431%0.00525%0.253CS..Hα-helixtrans-63.8-43.9177.8-66164.7000110.3L203 L463 V475 V478 L479 V512 I513 P514 F519 L520L203-I516 HydrophobicContact CD1-CG2 3.73Å; L463-I516 HydrophobicContact CD1-CD1 4.24Å; V475-I516 HydrophobicContact CG2-CD1 3.71Å; V478-I516 HydrophobicContact CG1-CG2 4.04Å; L479-I516 HydrophobicContact CB-CD1 4.29Å; L479-I516 HydrophobicContact CB-CG1 4.25Å; L479-I516 HydrophobicContact CD1-CD1 4.37Å; L479-I516 HydrophobicContact CD1-CG1 4.09Å; V512-I516 HydrophobicContact CG1-CD1 3.67Å; V512-I516 WeakPolarHBondContact O-CG1 3.37Å; V512-I516 PolarHBondContact O-N 2.83Å; I513-I516 PolarHBondContact O-N 2.73Å; P514-I516 PolarHBondContact O-N 3.12Å; I516-F519 PolarHBondContact O-N 3.38Å; I516-L520 HydrophobicContact CG2-CD1 3.84Å; I516-L520 HydrophobicContact CG2-CG 4.33Å; I516-L520 WeakPolarHBondContact O-CB 3.37Å; I516-L520 WeakPolarHBondContact O-CG 3.37Å; I516-L520 PolarHBondContact O-N 3.07Å
517Q95.1Very high88.9Confident14 Ų1441.1 Ų41.17%0.06524%0.244CC..Hα-helixtrans-63.2-45.7179.7-65.9-165-5800112.2L203 N204 L205 I513 P514 F521 A522L203-Q517 WeakPolarHBondContact O-CG 3.44Å; L203-Q517 PolarHBondContact O-NE2 2.83Å; N204-Q517 PolarHBondContact O-NE2 3.34Å; N204-Q517 VanDerWaalsContact O-NE2 3.14Å; L205-Q517 HydrophobicContact CD2-CB 3.82Å; I513-Q517 HydrophobicContact CG2-CG 4.2Å; I513-Q517 WeakPolarHBondContact O-CG 3.4Å; I513-Q517 PolarHBondContact O-N 3.21Å; P514-Q517 PolarHBondContact O-N 3.35Å; Q517-F521 WeakPolarHBondContact O-CA 3.22Å; Q517-F521 WeakPolarHBondContact O-CB 3.28Å; Q517-F521 PolarHBondContact O-N 2.84Å; Q517-A522 PolarHBondContact O-N 3.04Å
518I94.3Very high88.6Confident92 Ų9243.2 Ų43.247%0.47226%0.257SS..Iπ-helixtrans-61.9-49.2178-70.2166.7000109.8P514 L520 A522 T523P514-I518 WeakPolarHBondContact O-CB 3.03Å; P514-I518 VanDerWaalsContact O-CG1 3.25Å; P514-I518 WeakPolarHBondContact O-CG1 3.5Å; P514-I518 PolarHBondContact O-N 3.44Å; I518-L520 PolarHBondContact O-N 3.25Å; I518-A522 HydrophobicContact CB-CB 4.32Å; I518-A522 HydrophobicContact CG2-CB 4.14Å; I518-A522 WeakPolarHBondContact O-CA 3.47Å; I518-A522 WeakPolarHBondContact O-CB 3.42Å; I518-A522 PolarHBondContact O-N 3.3Å; I518-T523 PolarHBondContact O-N 2.92Å
519F95.8Very high88.6Confident4 Ų443.6 Ų43.62%0.01826%0.258CS..Iπ-helixtrans-61.2-46.3-177.8-174.5-98.2000112I193 L420 H424 V478 A481 A482 A485 L515 I516 T523I193-F519 HydrophobicContact CD1-CE1 4.15Å; L420-F519 HydrophobicContact CB-CE1 4.3Å; L420-F519 HydrophobicContact CB-CZ 4.09Å; L420-F519 HydrophobicContact CD1-CE1 4.18Å; L420-F519 HydrophobicContact CD2-CE1 4.19Å; L420-F519 HydrophobicContact CG-CE1 4.47Å; H424-F519 HydrophobicContact CB-CE2 4.29Å; H424-F519 HydrophobicContact CB-CZ 4.5Å; H424-F519 AromaticContact CD2-CE2 3.94Å; H424-F519 AromaticContact CD2-CZ 3.43Å; H424-F519 VanDerWaalsContact CD2-CZ 3.43Å; H424-F519 WeakPolarHBondContact CD2-CZ 3.26Å; H424-F519 AromaticContact CG-CZ 3.98Å; H424-F519 AromaticContact NE2-CE1 4Å; H424-F519 AromaticContact NE2-CZ 3.75Å; V478-F519 HydrophobicContact CG1-CD1 4.07Å; A481-F519 HydrophobicContact CB-CE1 3.94Å; A481-F519 HydrophobicContact CB-CE2 4.13Å; A481-F519 HydrophobicContact CB-CZ 3.59Å; A482-F519 HydrophobicContact CB-CB 3.61Å; A482-F519 HydrophobicContact CB-CD1 4.47Å; A482-F519 HydrophobicContact CB-CD2 4.22Å; A482-F519 HydrophobicContact CB-CG 3.85Å; A485-F519 HydrophobicContact CB-CD2 3.74Å; A485-F519 HydrophobicContact CB-CE2 3.95Å; L515-F519 VanDerWaalsContact O-CB 3.26Å; L515-F519 WeakPolarHBondContact O-CB 3.38Å; L515-F519 PolarHBondContact O-N 3.13Å; I516-F519 PolarHBondContact O-N 3.38Å; F519-T523 PolarHBondContact O-OG1 2.86Å
520L95Very high88.4Confident1 Ų140.7 Ų40.71%0.00524%0.239CC..Iπ-helixtrans-77.4-43.4-178.8-69.9-178.5000113I193 L196 R197 Y200 V478 I516 I518I193-L520 HydrophobicContact CD1-CD2 3.75Å; L196-L520 HydrophobicContact CB-CD2 4.09Å; L196-L520 HydrophobicContact CD1-CD2 4.44Å; R197-L520 PolarHBondContact NE-O 3.33Å; R197-L520 PolarHBondContact NH2-O 3.27Å; Y200-L520 HydrophobicContact CD2-CD1 4.28Å; Y200-L520 HydrophobicContact CG-CD1 4.46Å; V478-L520 HydrophobicContact CG1-CD1 4Å; V478-L520 HydrophobicContact CG1-CD2 3.78Å; V478-L520 HydrophobicContact CG1-CG 3.76Å; V478-L520 HydrophobicContact CG2-CD2 4.4Å; I516-L520 HydrophobicContact CG2-CD1 3.84Å; I516-L520 HydrophobicContact CG2-CG 4.33Å; I516-L520 WeakPolarHBondContact O-CB 3.37Å; I516-L520 WeakPolarHBondContact O-CG 3.37Å; I516-L520 PolarHBondContact O-N 3.07Å; I518-L520 PolarHBondContact O-N 3.25Å
521F93.8Very high87.9Confident39 Ų3943 Ų4317%0.17125%0.253CS..Iπ-helixtrans-115.8-21.6-163.8-62.1-83.2000115.2R197 Y200 L203 N204 L205 Q517R197-F521 HydrophobicContact CB-CE1 3.85Å; R197-F521 HydrophobicContact CB-CZ 4.36Å; R197-F521 HydrophobicContact CG-CD1 4.07Å; R197-F521 HydrophobicContact CG-CE1 3.81Å; R197-F521 HydrophobicContact CG-CZ 4.35Å; Y200-F521 WeakPolarHBondContact O-CZ 3.48Å; L203-F521 HydrophobicContact CB-CE2 3.86Å; L203-F521 WeakPolarHBondContact O-CD2 3.45Å; L203-F521 WeakPolarHBondContact O-CE2 3.2Å; N204-F521 HydrophobicContact CB-CD1 4.39Å; N204-F521 HydrophobicContact CB-CE1 4.31Å; L205-F521 HydrophobicContact CD1-CB 4.36Å; L205-F521 HydrophobicContact CG-CB 4.18Å; Q517-F521 WeakPolarHBondContact O-CA 3.22Å; Q517-F521 WeakPolarHBondContact O-CB 3.28Å; Q517-F521 PolarHBondContact O-N 2.84Å
522A85.9Confident87.4Confident57 Ų5738.6 Ų38.647%0.47124%0.238SC..Iπ-helixtrans-92.6-22.1179.600000113.2L205 Q517 I518 A524L205-A522 HydrophobicContact CD1-CB 4.15Å; Q517-A522 PolarHBondContact O-N 3.04Å; I518-A522 HydrophobicContact CB-CB 4.32Å; I518-A522 HydrophobicContact CG2-CB 4.14Å; I518-A522 WeakPolarHBondContact O-CA 3.47Å; I518-A522 WeakPolarHBondContact O-CB 3.42Å; I518-A522 PolarHBondContact O-N 3.3Å; A522-A524 PolarHBondContact O-N 3.49Å
523T72.4Confident86.7Confident43 Ų4341.5 Ų41.526%0.26426%0.256SS..SBendtrans-77.4119.3176.858.20000110.3R197 H424 I518 F519 I525R197-T523 PolarHBondContact NH2-O 3.1Å; H424-T523 PolarHBondContact CE1-OG1 3.21Å; H424-T523 VanDerWaalsContact CE1-OG1 3.27Å; I518-T523 PolarHBondContact O-N 2.92Å; F519-T523 PolarHBondContact O-OG1 2.86Å; T523-I525 PolarHBondContact O-N 3.29Å
524A58.5Low85.9Confident105 Ų10545 Ų4587%0.86828%0.278SS*.  trans-68122.1164.600000107.7A522A522-A524 PolarHBondContact O-N 3.49Å
525I52.1Low85Confident134 Ų13445.9 Ų45.969%0.68728%0.282SS*.  trans-108.30169.1-55.5178.8000107.3I193 H424 T523I193-I525 HydrophobicContact CB-CD1 3.43Å; I193-I525 VanDerWaalsContact CB-CD1 3.43Å; I193-I525 HydrophobicContact CD1-CD1 4.34Å; I193-I525 HydrophobicContact CG1-CD1 3.47Å; I193-I525 VanDerWaalsContact CG1-CD1 3.47Å; I193-I525 HydrophobicContact CG2-CD1 3.38Å; H424-I525 WeakPolarHBondContact CE1-CD1 3.48Å; H424-I525 VanDerWaalsContact CE1-CG1 3.47Å; H424-I525 WeakPolarHBondContact CE1-CG1 3.41Å; H424-I525 WeakPolarHBondContact NE2-CD1 3.44Å; T523-I525 PolarHBondContact O-N 3.29Å

Retrieved 525 of 525 residues in 333.7 ms (Link to these results)

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