A0A060XYF8_ONCMY Loading...

Importin 7

AlphaFold DB , UniProt , Accession A0A060XYF8, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene ipo7, Length 1,040 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
1M61.9Low76.3Confident62 Ų6259.8 Ų59.831%0.30530%0.302SS..  0145.80-161.7-178.6-124.500109.5V5 L6 Q25 F35M1-V5 HydrophobicContact CE-CG1 3.98Å; M1-V5 HydrophobicContact CG-CB 4.22Å; M1-V5 HydrophobicContact CG-CG1 4.1Å; M1-V5 HydrophobicContact SD-CG1 4.15Å; M1-L6 HydrophobicContact SD-CB 4.23Å; M1-L6 HydrophobicContact SD-CD1 4.08Å; M1-Q25 HydrophobicContact CE-CG 3.86Å; M1-F35 HydrophobicContact CB-CD2 4.2Å; M1-F35 HydrophobicContact SD-CE2 4.01Å
2D70.4Confident76.6Confident92 Ų9255.6 Ų55.649%0.49229%0.285SS..  trans-66.6132.5174.2-172-33.4000109.5N4 V5 L6D2-N4 PolarHBondContact O-N 3.16Å; D2-N4 VanDerWaalsContact O-N 3.1Å; D2-N4 PolarHBondContact OD1-N 2.93Å; D2-N4 VanDerWaalsContact OD1-N 3.17Å; D2-N4 PolarHBondContact OD1-ND2 3.15Å; D2-V5 HydrophobicContact CB-CB 4.45Å; D2-V5 HydrophobicContact CB-CG2 4.06Å; D2-V5 PolarHBondContact O-N 2.78Å; D2-L6 PolarHBondContact O-N 2.95Å; D2-L6 VanDerWaalsContact O-N 3.15Å
3P69.8Low76.8Confident60 Ų6053.5 Ų53.539%0.3928%0.276SS..Hα-helixtrans-51-33.1179.4-28.734.2000114.2L6 I7P3-L6 PolarHBondContact O-N 3.29Å; P3-I7 VanDerWaalsContact O-CD1 3.29Å; P3-I7 WeakPolarHBondContact O-CD1 3.39Å; P3-I7 WeakPolarHBondContact O-CG1 3.47Å; P3-I7 PolarHBondContact O-N 3.42Å
4N74.2Confident76.8Confident106 Ų10656.4 Ų56.457%0.56729%0.289SS*.Hα-helixtrans-69.9-37.7178.9-65.9-52.9000112.7D2 L6 I7 E8D2-N4 PolarHBondContact O-N 3.16Å; D2-N4 VanDerWaalsContact O-N 3.1Å; D2-N4 PolarHBondContact OD1-N 2.93Å; D2-N4 VanDerWaalsContact OD1-N 3.17Å; D2-N4 PolarHBondContact OD1-ND2 3.15Å; N4-L6 VanDerWaalsContact C-N 3.33Å; N4-I7 PolarHBondContact O-N 2.95Å; N4-E8 PolarHBondContact O-N 3.26Å
5V77.4Confident77Confident50 Ų5056.7 Ų56.730%0.30329%0.292SS..Hα-helixtrans-68.9-36.5177177.10000110.4M1 D2 E8 A9M1-V5 HydrophobicContact CE-CG1 3.98Å; M1-V5 HydrophobicContact CG-CB 4.22Å; M1-V5 HydrophobicContact CG-CG1 4.1Å; M1-V5 HydrophobicContact SD-CG1 4.15Å; D2-V5 HydrophobicContact CB-CB 4.45Å; D2-V5 HydrophobicContact CB-CG2 4.06Å; D2-V5 PolarHBondContact O-N 2.78Å; V5-E8 PolarHBondContact O-N 3Å; V5-A9 WeakPolarHBondContact O-CB 3.32Å; V5-A9 PolarHBondContact O-N 3.31Å
6L79.9Confident77Confident1 Ų160.6 Ų60.61%0.00532%0.322CS..Hα-helixtrans-64.7-42.2174.4-172.863.9000111.6M1 D2 P3 N4 A9 L10 L26 F35 A38 L39 V42M1-L6 HydrophobicContact SD-CB 4.23Å; M1-L6 HydrophobicContact SD-CD1 4.08Å; D2-L6 PolarHBondContact O-N 2.95Å; D2-L6 VanDerWaalsContact O-N 3.15Å; P3-L6 PolarHBondContact O-N 3.29Å; N4-L6 VanDerWaalsContact C-N 3.33Å; L6-A9 PolarHBondContact O-N 3.02Å; L6-L10 HydrophobicContact CG-CD1 4.35Å; L6-L10 WeakPolarHBondContact O-CB 3.14Å; L6-L10 VanDerWaalsContact O-CG 3.28Å; L6-L10 WeakPolarHBondContact O-CG 3.37Å; L6-L10 PolarHBondContact O-N 3.04Å; L6-L26 HydrophobicContact CD1-CD2 3.59Å; L6-F35 HydrophobicContact CD1-CE2 3.62Å; L6-F35 HydrophobicContact CD1-CZ 3.92Å; L6-A38 HydrophobicContact CD2-CB 4.12Å; L6-L39 HydrophobicContact CD1-CD2 3.92Å; L6-L39 HydrophobicContact CD1-CG 4.39Å; L6-L39 HydrophobicContact CD2-CD2 3.89Å; L6-L39 HydrophobicContact CD2-CG 3.99Å; L6-L39 HydrophobicContact CG-CD2 4.17Å; L6-V42 HydrophobicContact CD2-CG2 4.04Å
7I80.4Confident76.9Confident28 Ų2865.6 Ų65.614%0.14435%0.349CS..Hα-helixtrans-64.4-41.4176.6-68.9159000111.4P3 N4 L10 R11 V42 L48 V52P3-I7 VanDerWaalsContact O-CD1 3.29Å; P3-I7 WeakPolarHBondContact O-CD1 3.39Å; P3-I7 WeakPolarHBondContact O-CG1 3.47Å; P3-I7 PolarHBondContact O-N 3.42Å; N4-I7 PolarHBondContact O-N 2.95Å; I7-L10 PolarHBondContact O-N 3.32Å; I7-R11 WeakPolarHBondContact O-CG 3.33Å; I7-R11 PolarHBondContact O-N 3.31Å; I7-V42 HydrophobicContact CD1-CG2 4.44Å; I7-V42 HydrophobicContact CG1-CG1 4.01Å; I7-V42 HydrophobicContact CG1-CG2 4.11Å; I7-L48 HydrophobicContact CD1-CD1 3.89Å; I7-L48 HydrophobicContact CD1-CD2 3.93Å; I7-L48 HydrophobicContact CG1-CD1 3.91Å; I7-L48 HydrophobicContact CG1-CD2 4.31Å; I7-L48 HydrophobicContact CG2-CD2 4.07Å; I7-V52 HydrophobicContact CG2-CG1 4.4Å
8E80.3Confident76.9Confident143 Ų14367 Ų6767%0.66836%0.356SS*.Hα-helixtrans-65.6-41176-76.1-175.316900112N4 V5 R11 G12N4-E8 PolarHBondContact O-N 3.26Å; V5-E8 PolarHBondContact O-N 3Å; E8-R11 PolarHBondContact O-N 3.38Å; E8-G12 PolarHBondContact O-N 3.36Å
9A79.8Confident77Confident2 Ų270.9 Ų70.92%0.01737%0.365CS..Hα-helixtrans-62.5-45.9174.500000111.6V5 L6 R11 G12 T13 A22 L26V5-A9 WeakPolarHBondContact O-CB 3.32Å; V5-A9 PolarHBondContact O-N 3.31Å; L6-A9 PolarHBondContact O-N 3.02Å; A9-R11 VanDerWaalsContact C-N 3.27Å; A9-R11 PolarHBondContact O-N 3Å; A9-G12 CarbonylContact O-C 3.6Å; A9-G12 WeakPolarHBondContact O-CA 3.32Å; A9-G12 PolarHBondContact O-N 2.66Å; A9-T13 PolarHBondContact O-N 2.95Å; A9-A22 WeakPolarHBondContact O-CB 3.46Å; A9-L26 HydrophobicContact CB-CD2 3.91Å; A9-L26 HydrophobicContact CB-CG 4.07Å
10L82.3Confident77Confident1 Ų174 Ų741%0.00538%0.378CS..Hα-helixtrans-65-27.4175.6-69.1172.2000113.3L6 I7 T13 L26 L39 V42 V52 A55L6-L10 HydrophobicContact CG-CD1 4.35Å; L6-L10 WeakPolarHBondContact O-CB 3.14Å; L6-L10 VanDerWaalsContact O-CG 3.28Å; L6-L10 WeakPolarHBondContact O-CG 3.37Å; L6-L10 PolarHBondContact O-N 3.04Å; I7-L10 PolarHBondContact O-N 3.32Å; L10-T13 PolarHBondContact O-OG1 3.36Å; L10-L26 HydrophobicContact CD2-CD1 4.15Å; L10-L39 HydrophobicContact CD1-CD2 4.34Å; L10-V42 HydrophobicContact CD1-CG1 3.93Å; L10-V52 HydrophobicContact CB-CG1 4Å; L10-A55 HydrophobicContact CD2-CB 4.28Å
11R83.3Confident77.1Confident113 Ų11373.3 Ų73.343%0.42638%0.383SS..Hα-helixtrans-71.3-40.5169.2-76.1176.6-177.5-96.9-5.7111I7 E8 A9 T13 M14 D49 V52I7-R11 WeakPolarHBondContact O-CG 3.33Å; I7-R11 PolarHBondContact O-N 3.31Å; E8-R11 PolarHBondContact O-N 3.38Å; A9-R11 VanDerWaalsContact C-N 3.27Å; A9-R11 PolarHBondContact O-N 3Å; R11-T13 VanDerWaalsContact C-N 3.33Å; R11-T13 PolarHBondContact O-N 3.37Å; R11-M14 HydrophobicContact CG-CE 4.48Å; R11-M14 PolarHBondContact O-N 3.28Å; R11-D49 IonicContact CZ-OD2 3.52Å; R11-D49 IonicContact NH1-OD2 3.4Å; R11-D49 PolarHBondContact NH1-OD2 3.06Å; R11-D49 IonicContact NH2-OD2 2.82Å; R11-D49 PolarHBondContact NH2-OD2 3.32Å; R11-V52 HydrophobicContact CG-CG1 4.43Å; R11-V52 HydrophobicContact CG-CG2 3.62Å
12G79.1Confident77.9Confident9 Ų970.6 Ų70.69%0.09337%0.371CS..Hα-helixtrans-63.7-31.8177.700000114E8 A9 M14 D15 L18 R19E8-G12 PolarHBondContact O-N 3.36Å; A9-G12 CarbonylContact O-C 3.6Å; A9-G12 WeakPolarHBondContact O-CA 3.32Å; A9-G12 PolarHBondContact O-N 2.66Å; G12-M14 PolarHBondContact O-N 2.73Å; G12-D15 PolarHBondContact O-N 3.5Å; G12-D15 VanDerWaalsContact O-N 3.14Å; G12-L18 CarbonylContact O-C 3.43Å; G12-R19 PolarHBondContact O-N 3.45Å
13T80.2Confident78.3Confident29 Ų2969.7 Ų69.718%0.17836%0.364CS..THydrogen-bonded Turntrans-65.4-17.1175.254.30000113.6A9 L10 R11 A22 E23 L26A9-T13 PolarHBondContact O-N 2.95Å; L10-T13 PolarHBondContact O-OG1 3.36Å; R11-T13 VanDerWaalsContact C-N 3.33Å; R11-T13 PolarHBondContact O-N 3.37Å; T13-A22 HydrophobicContact CG2-CB 3.78Å; T13-E23 HydrophobicContact CG2-CG 4.1Å; T13-L26 HydrophobicContact CG2-CD1 3.66Å
14M76.8Confident78.7Confident93 Ų9374 Ų7446%0.45837%0.372SS..THydrogen-bonded Turntrans-92.4-11.1177-56.9-170.3-6800113.4R11 G12 P51 V52R11-M14 HydrophobicContact CG-CE 4.48Å; R11-M14 PolarHBondContact O-N 3.28Å; G12-M14 PolarHBondContact O-N 2.73Å; M14-P51 HydrophobicContact CE-CB 4.15Å; M14-P51 HydrophobicContact SD-CB 3.53Å; M14-P51 VanDerWaalsContact SD-CB 3.53Å; M14-V52 HydrophobicContact CE-CG2 3.69Å
15D78.8Confident78.9Confident62 Ų6272.6 Ų72.633%0.33236%0.362SS..SBendtrans-98.7120.8177.3-172.8-27.5000109.7G12 N17 L18 R19G12-D15 PolarHBondContact O-N 3.5Å; G12-D15 VanDerWaalsContact O-N 3.14Å; D15-N17 PolarHBondContact O-N 3.08Å; D15-N17 PolarHBondContact OD1-N 3Å; D15-N17 PolarHBondContact OD1-ND2 3.23Å; D15-L18 HydrophobicContact CB-CB 4.23Å; D15-L18 HydrophobicContact CB-CD1 4.35Å; D15-L18 HydrophobicContact CB-CG 4.47Å; D15-L18 PolarHBondContact O-N 3.1Å; D15-R19 WeakPolarHBondContact O-CB 3.5Å; D15-R19 PolarHBondContact O-N 2.75Å
16P76.9Confident79Confident118 Ų11870.3 Ų70.377%0.76635%0.348SS*.THydrogen-bonded Turntrans-52-30.3-179.7-26.633.5000114.3
17N76Confident78.7Confident146 Ų14674.3 Ų74.378%0.78137%0.37SS*.THydrogen-bonded Turntrans-84.2-19.7-177.6-58.2-63000113.5D15D15-N17 PolarHBondContact O-N 3.08Å; D15-N17 PolarHBondContact OD1-N 3Å; D15-N17 PolarHBondContact OD1-ND2 3.23Å
18L77.4Confident78.5Confident91 Ų9180 Ų8048%0.47640%0.396SS..THydrogen-bonded Turntrans-112.5-7.2-175.5-62.2172.7000112.7G12 D15 E20 A21 A22G12-L18 CarbonylContact O-C 3.43Å; D15-L18 HydrophobicContact CB-CB 4.23Å; D15-L18 HydrophobicContact CB-CD1 4.35Å; D15-L18 HydrophobicContact CB-CG 4.47Å; D15-L18 PolarHBondContact O-N 3.1Å; L18-E20 PolarHBondContact O-N 3.49Å; L18-A21 PolarHBondContact O-N 3.01Å; L18-A22 VanDerWaalsContact O-CB 3.3Å; L18-A22 WeakPolarHBondContact O-CB 3.49Å; L18-A22 PolarHBondContact O-N 2.91Å
19R78.2Confident77.8Confident142 Ų14273.2 Ų73.254%0.53636%0.364SS..Hα-helixtrans-55.7-53.8-174.4-175.8174.4175.7-177.3-0.9113.7G12 D15 A21 A22 E23G12-R19 PolarHBondContact O-N 3.45Å; D15-R19 WeakPolarHBondContact O-CB 3.5Å; D15-R19 PolarHBondContact O-N 2.75Å; R19-A21 VanDerWaalsContact C-N 3.31Å; R19-A21 PolarHBondContact O-N 3.13Å; R19-A22 PolarHBondContact O-N 3.1Å; R19-E23 HydrophobicContact CG-CG 4.39Å; R19-E23 WeakPolarHBondContact CG-OE1 3.48Å; R19-E23 IonicContact CZ-OE1 3.72Å; R19-E23 IonicContact NE-OE1 2.89Å; R19-E23 PolarHBondContact NE-OE1 3.43Å; R19-E23 IonicContact NH2-OE1 3.65Å; R19-E23 WeakPolarHBondContact O-CB 3.45Å; R19-E23 WeakPolarHBondContact O-CG 3.44Å; R19-E23 PolarHBondContact O-N 3.12Å
20E76.7Confident77.4Confident131 Ų13175.2 Ų75.261%0.61237%0.373SS*.Hα-helixtrans-62.4-38.2-179.3-75.3-171.2-166.400112.9L18 R24L18-E20 PolarHBondContact O-N 3.49Å; E20-R24 WeakPolarHBondContact O-CB 3.47Å; E20-R24 WeakPolarHBondContact O-CG 3.26Å; E20-R24 PolarHBondContact O-N 2.95Å; E20-R24 VanDerWaalsContact O-N 3.08Å; E20-R24 IonicContact OE2-NH2 2.86Å; E20-R24 PolarHBondContact OE2-NH2 3.34Å
21A78.8Confident76.6Confident60 Ų6079 Ų7950%0.49640%0.396SS..Hα-helixtrans-69.5-41179.100000111L18 R19 Q25L18-A21 PolarHBondContact O-N 3.01Å; R19-A21 VanDerWaalsContact C-N 3.31Å; R19-A21 PolarHBondContact O-N 3.13Å; A21-Q25 WeakPolarHBondContact O-CB 3.5Å; A21-Q25 PolarHBondContact O-N 3.34Å
22A79.2Confident76.1Confident5 Ų577.6 Ų77.64%0.04140%0.395CS..Hα-helixtrans-68-41.8176.900000112.6A9 T13 L18 R19 Q25 L26A9-A22 WeakPolarHBondContact O-CB 3.46Å; T13-A22 HydrophobicContact CG2-CB 3.78Å; L18-A22 VanDerWaalsContact O-CB 3.3Å; L18-A22 WeakPolarHBondContact O-CB 3.49Å; L18-A22 PolarHBondContact O-N 2.91Å; R19-A22 PolarHBondContact O-N 3.1Å; A22-Q25 PolarHBondContact O-N 2.85Å; A22-L26 VanDerWaalsContact O-CG 3.32Å; A22-L26 WeakPolarHBondContact O-CG 3.26Å; A22-L26 PolarHBondContact O-N 3.45Å
23E79.5Confident75.5Confident74 Ų7480.7 Ų80.735%0.34641%0.412SS..Hα-helixtrans-64.4-42.3175.9-74.8176.3-174.300111.5T13 R19 Q25 L26 N27T13-E23 HydrophobicContact CG2-CG 4.1Å; R19-E23 HydrophobicContact CG-CG 4.39Å; R19-E23 WeakPolarHBondContact CG-OE1 3.48Å; R19-E23 IonicContact CZ-OE1 3.72Å; R19-E23 IonicContact NE-OE1 2.89Å; R19-E23 PolarHBondContact NE-OE1 3.43Å; R19-E23 IonicContact NH2-OE1 3.65Å; R19-E23 WeakPolarHBondContact O-CB 3.45Å; R19-E23 WeakPolarHBondContact O-CG 3.44Å; R19-E23 PolarHBondContact O-N 3.12Å; E23-Q25 VanDerWaalsContact C-N 3.33Å; E23-Q25 PolarHBondContact O-N 3.1Å; E23-L26 PolarHBondContact O-N 2.89Å; E23-N27 WeakPolarHBondContact O-CB 3.47Å; E23-N27 VanDerWaalsContact O-CG 3.28Å; E23-N27 PolarHBondContact O-N 2.89Å
24R78.1Confident75.4Confident150 Ų15083.9 Ų83.957%0.56643%0.428SS*.Hα-helixtrans-60.2-43.4172.1-75-178.7-133.61673.5111.9E20 L26 N27 E28E20-R24 WeakPolarHBondContact O-CB 3.47Å; E20-R24 WeakPolarHBondContact O-CG 3.26Å; E20-R24 PolarHBondContact O-N 2.95Å; E20-R24 VanDerWaalsContact O-N 3.08Å; E20-R24 IonicContact OE2-NH2 2.86Å; E20-R24 PolarHBondContact OE2-NH2 3.34Å; R24-L26 VanDerWaalsContact C-N 3.35Å; R24-L26 PolarHBondContact O-N 3.16Å; R24-N27 PolarHBondContact O-N 3.17Å; R24-E28 WeakPolarHBondContact O-CG 3.39Å; R24-E28 PolarHBondContact O-N 2.87Å
25Q79.1Confident75.5Confident77 Ų7779.5 Ų79.536%0.3641%0.406SS..Hα-helixtrans-65.6-36.5179.2-170.7-179.83.600112.6M1 A21 A22 E23 G29M1-Q25 HydrophobicContact CE-CG 3.86Å; A21-Q25 WeakPolarHBondContact O-CB 3.5Å; A21-Q25 PolarHBondContact O-N 3.34Å; A22-Q25 PolarHBondContact O-N 2.85Å; E23-Q25 VanDerWaalsContact C-N 3.33Å; E23-Q25 PolarHBondContact O-N 3.1Å; Q25-G29 PolarHBondContact O-N 2.95Å
26L78.3Confident75.6Confident2 Ų276.6 Ų76.61%0.0139%0.39CS..Hα-helixtrans-68.6-40.7173.6-70.7170.5000111.2L6 A9 L10 T13 A22 E23 R24 G29 H30 F35 Y59L6-L26 HydrophobicContact CD1-CD2 3.59Å; A9-L26 HydrophobicContact CB-CD2 3.91Å; A9-L26 HydrophobicContact CB-CG 4.07Å; L10-L26 HydrophobicContact CD2-CD1 4.15Å; T13-L26 HydrophobicContact CG2-CD1 3.66Å; A22-L26 VanDerWaalsContact O-CG 3.32Å; A22-L26 WeakPolarHBondContact O-CG 3.26Å; A22-L26 PolarHBondContact O-N 3.45Å; E23-L26 PolarHBondContact O-N 2.89Å; R24-L26 VanDerWaalsContact C-N 3.35Å; R24-L26 PolarHBondContact O-N 3.16Å; L26-G29 WeakPolarHBondContact O-CA 3.23Å; L26-G29 PolarHBondContact O-N 3.33Å; L26-G29 VanDerWaalsContact O-N 3.09Å; L26-H30 PolarHBondContact O-N 3.36Å; L26-H30 VanDerWaalsContact O-N 3.13Å; L26-F35 HydrophobicContact CD2-CZ 4.2Å; L26-Y59 HydrophobicContact CB-CE1 4.49Å; L26-Y59 HydrophobicContact CB-CE2 3.88Å; L26-Y59 HydrophobicContact CD1-CD2 4.21Å; L26-Y59 HydrophobicContact CD1-CE2 4.22Å; L26-Y59 PolarHBondContact O-OH 3.17Å
27N74.6Confident76Confident85 Ų8571.2 Ų71.246%0.45536%0.355SS..Hα-helixtrans-67.3-38.3177.7-72-9.8000112.2E23 R24 G29 H30 Y59E23-N27 WeakPolarHBondContact O-CB 3.47Å; E23-N27 VanDerWaalsContact O-CG 3.28Å; E23-N27 PolarHBondContact O-N 2.89Å; R24-N27 PolarHBondContact O-N 3.17Å; N27-G29 PolarHBondContact O-N 3.33Å; N27-H30 PolarHBondContact O-CD2 3.36Å; N27-H30 VanDerWaalsContact O-CG 3.29Å; N27-H30 PolarHBondContact O-N 3.12Å; N27-H30 PolarHBondContact O-NE2 2.87Å; N27-Y59 PolarHBondContact OD1-OH 2.77Å
28E74.6Confident76.3Confident147 Ų14764.8 Ų64.869%0.68732%0.323SS*.Hα-helixtrans-63.9-28.6171.9-71.9174.2-173.400112.3R24R24-E28 WeakPolarHBondContact O-CG 3.39Å; R24-E28 PolarHBondContact O-N 2.87Å
29G67.4Low76.7Confident1 Ų160.5 Ų60.51%0.0130%0.3CS..Hα-helixtrans-79.1-21.6179.200000115.2Q25 L26 N27 T31 Q32 F35Q25-G29 PolarHBondContact O-N 2.95Å; L26-G29 WeakPolarHBondContact O-CA 3.23Å; L26-G29 PolarHBondContact O-N 3.33Å; L26-G29 VanDerWaalsContact O-N 3.09Å; N27-G29 PolarHBondContact O-N 3.33Å; G29-T31 PolarHBondContact O-N 3.41Å; G29-T31 VanDerWaalsContact O-N 3.11Å; G29-Q32 WeakPolarHBondContact O-CB 3.43Å; G29-Q32 PolarHBondContact O-N 3.23Å; G29-F35 WeakPolarHBondContact O-CD2 3.41Å; G29-F35 VanDerWaalsContact O-CG 3.31Å; G29-F35 WeakPolarHBondContact O-CG 3.33Å
30H70.4Confident77Confident44 Ų4453.9 Ų53.920%0.20428%0.276CS..THydrogen-bonded Turntrans-66.9-17.6-168.781.660.3000114.3L26 N27 F35 M63L26-H30 PolarHBondContact O-N 3.36Å; L26-H30 VanDerWaalsContact O-N 3.13Å; N27-H30 PolarHBondContact O-CD2 3.36Å; N27-H30 VanDerWaalsContact O-CG 3.29Å; N27-H30 PolarHBondContact O-N 3.12Å; N27-H30 PolarHBondContact O-NE2 2.87Å; H30-F35 HydrophobicContact CB-CE1 4.3Å; H30-M63 HydrophobicContact CB-CE 3.78Å; H30-M63 HydrophobicContact CB-SD 4.39Å
31T65.8Low77.4Confident79 Ų7952.9 Ų52.949%0.48527%0.271SS..THydrogen-bonded Turntrans-88.1-6.1177.954.70000113.5G29 N81G29-T31 PolarHBondContact O-N 3.41Å; G29-T31 VanDerWaalsContact O-N 3.11Å; T31-N81 HydrophobicContact CG2-CB 4.43Å
32Q71.8Confident77.7Confident85 Ų8550.4 Ų50.440%0.39725%0.25SC..SBendtrans-80.3133.6-178.8-62.6-176.6100111.5G29 F35G29-Q32 WeakPolarHBondContact O-CB 3.43Å; G29-Q32 PolarHBondContact O-N 3.23Å; Q32-F35 HydrophobicContact CB-CB 4.3Å; Q32-F35 WeakPolarHBondContact O-CB 3.15Å; Q32-F35 PolarHBondContact O-N 2.64Å; Q32-F35 VanDerWaalsContact O-N 3.16Å
33V66.8Low77.9Confident74 Ų7450.1 Ų50.145%0.44825%0.248SC..THydrogen-bonded Turntrans-60.1137169.6-172.10000109.7F35 P84V33-F35 VanDerWaalsContact C-N 3.3Å; V33-P84 HydrophobicContact CG2-CG 4.28Å
34N77.9Confident78.1Confident96 Ų9649 Ų4951%0.51324%0.243SC..THydrogen-bonded Turntrans77.22.1-174-52-70.9000115.6A38 D87N34-A38 VanDerWaalsContact O-CB 3.28Å; N34-A38 WeakPolarHBondContact O-CB 3.49Å; N34-A38 PolarHBondContact O-N 3.03Å; N34-D87 WeakPolarHBondContact CA-OD1 3.46Å; N34-D87 WeakPolarHBondContact CA-OD2 3.48Å; N34-D87 PolarHBondContact N-OD1 2.69Å; N34-D87 PolarHBondContact N-OD2 2.95Å
35F80.2Confident78.4Confident0 Ų043.5 Ų43.50%023%0.227CC..Hα-helixtrans-67-46.9179.1-179.1-99.5000111.7M1 L6 L26 G29 H30 Q32 V33 A38 L39 Y59 M63M1-F35 HydrophobicContact CB-CD2 4.2Å; M1-F35 HydrophobicContact SD-CE2 4.01Å; L6-F35 HydrophobicContact CD1-CE2 3.62Å; L6-F35 HydrophobicContact CD1-CZ 3.92Å; L26-F35 HydrophobicContact CD2-CZ 4.2Å; G29-F35 WeakPolarHBondContact O-CD2 3.41Å; G29-F35 VanDerWaalsContact O-CG 3.31Å; G29-F35 WeakPolarHBondContact O-CG 3.33Å; H30-F35 HydrophobicContact CB-CE1 4.3Å; Q32-F35 HydrophobicContact CB-CB 4.3Å; Q32-F35 WeakPolarHBondContact O-CB 3.15Å; Q32-F35 PolarHBondContact O-N 2.64Å; Q32-F35 VanDerWaalsContact O-N 3.16Å; V33-F35 VanDerWaalsContact C-N 3.3Å; F35-A38 PolarHBondContact O-N 3.22Å; F35-L39 HydrophobicContact CD1-CD1 3.82Å; F35-L39 HydrophobicContact CE1-CD1 3.42Å; F35-L39 VanDerWaalsContact CE1-CD1 3.42Å; F35-L39 HydrophobicContact CE1-CG 4.21Å; F35-L39 HydrophobicContact CZ-CD1 4.05Å; F35-L39 HydrophobicContact CZ-CG 4.48Å; F35-L39 PolarHBondContact O-N 2.91Å; F35-Y59 HydrophobicContact CE1-CD1 4.47Å; F35-Y59 AromaticContact CE1-CE1 3.85Å; F35-Y59 HydrophobicContact CE1-CE1 3.85Å; F35-Y59 HydrophobicContact CZ-CE1 4.21Å; F35-M63 HydrophobicContact CD1-CE 4.32Å; F35-M63 HydrophobicContact CD1-SD 3.97Å; F35-M63 HydrophobicContact CE1-SD 3.76Å
36V80.8Confident78.4Confident1 Ų146.1 Ų46.11%0.00624%0.244CC..Hα-helixtrans-70.4-36.5-179.6-163.30000111A38 L39 L40 L60 M63 I83 D87 I91V36-A38 PolarHBondContact O-N 2.72Å; V36-L39 WeakPolarHBondContact O-CB 3.43Å; V36-L39 PolarHBondContact O-N 2.93Å; V36-L40 PolarHBondContact O-N 3.29Å; V36-L60 HydrophobicContact CG1-CD1 3.27Å; V36-M63 HydrophobicContact CG2-CE 3.66Å; V36-M63 HydrophobicContact CG2-SD 4.09Å; V36-I83 HydrophobicContact CG2-CG1 4.37Å; V36-I83 HydrophobicContact CG2-CG2 4.02Å; V36-D87 HydrophobicContact CB-CB 4.38Å; V36-I91 HydrophobicContact CB-CD1 4.01Å; V36-I91 HydrophobicContact CG1-CD1 3.34Å; V36-I91 HydrophobicContact CG1-CG1 4.39Å
37S84Confident78.6Confident5 Ų554.9 Ų54.94%0.03529%0.285CS..Hα-helixtrans-60.5-42.2171.6-64.10000112.3L40 Q41 D87 F90S37-L40 PolarHBondContact O-N 3.36Å; S37-Q41 WeakPolarHBondContact O-CG 3.42Å; S37-Q41 PolarHBondContact O-N 3.42Å; S37-Q41 VanDerWaalsContact O-N 3.15Å; S37-D87 WeakPolarHBondContact CB-OD1 3.49Å; S37-D87 PolarHBondContact OG-OD1 3.4Å; S37-F90 VanDerWaalsContact CB-CD1 3.49Å; S37-F90 WeakPolarHBondContact OG-CB 3.37Å; S37-F90 VanDerWaalsContact OG-CD1 3.25Å; S37-F90 WeakPolarHBondContact OG-CD1 3.21Å; S37-F90 WeakPolarHBondContact OG-CG 3.4Å
38A83.7Confident79Confident12 Ų1252.1 Ų52.110%0.09927%0.27CS..Hα-helixtrans-67.3-38.4175.400000112.4L6 N34 F35 V36 L40 Q41 V42L6-A38 HydrophobicContact CD2-CB 4.12Å; N34-A38 VanDerWaalsContact O-CB 3.28Å; N34-A38 WeakPolarHBondContact O-CB 3.49Å; N34-A38 PolarHBondContact O-N 3.03Å; F35-A38 PolarHBondContact O-N 3.22Å; V36-A38 PolarHBondContact O-N 2.72Å; A38-L40 PolarHBondContact O-N 3.5Å; A38-Q41 PolarHBondContact O-N 3.45Å; A38-V42 WeakPolarHBondContact O-CG2 3.21Å; A38-V42 PolarHBondContact O-N 2.83Å
39L84.3Confident79.5Confident0 Ų049.2 Ų49.20%026%0.259CS..Hα-helixtrans-59.9-43.2174.6-83169.7000112.3L6 L10 F35 V36 V42 T43 Y59 M63L6-L39 HydrophobicContact CD1-CD2 3.92Å; L6-L39 HydrophobicContact CD1-CG 4.39Å; L6-L39 HydrophobicContact CD2-CD2 3.89Å; L6-L39 HydrophobicContact CD2-CG 3.99Å; L6-L39 HydrophobicContact CG-CD2 4.17Å; L10-L39 HydrophobicContact CD1-CD2 4.34Å; F35-L39 HydrophobicContact CD1-CD1 3.82Å; F35-L39 HydrophobicContact CE1-CD1 3.42Å; F35-L39 VanDerWaalsContact CE1-CD1 3.42Å; F35-L39 HydrophobicContact CE1-CG 4.21Å; F35-L39 HydrophobicContact CZ-CD1 4.05Å; F35-L39 HydrophobicContact CZ-CG 4.48Å; F35-L39 PolarHBondContact O-N 2.91Å; V36-L39 WeakPolarHBondContact O-CB 3.43Å; V36-L39 PolarHBondContact O-N 2.93Å; L39-V42 PolarHBondContact O-N 2.93Å; L39-T43 WeakPolarHBondContact O-CB 3.47Å; L39-T43 PolarHBondContact O-N 3.28Å; L39-T43 PolarHBondContact O-OG1 3.38Å; L39-Y59 HydrophobicContact CD1-CD1 3.75Å; L39-Y59 HydrophobicContact CD1-CE1 4.28Å; L39-M63 HydrophobicContact CD1-SD 3.93Å
40L84.9Confident80.2Confident4 Ų452.5 Ų52.52%0.02128%0.276CS..Hα-helixtrans-63.8-43.1175.8-175.462.3000111.2V36 S37 A38 V42 T43 M44 L60 F90 I91 N94 I95 A98 L110V36-L40 PolarHBondContact O-N 3.29Å; S37-L40 PolarHBondContact O-N 3.36Å; A38-L40 PolarHBondContact O-N 3.5Å; L40-V42 PolarHBondContact O-N 3.11Å; L40-T43 WeakPolarHBondContact O-CB 3.5Å; L40-T43 PolarHBondContact O-N 3.5Å; L40-M44 HydrophobicContact CD1-CG 4.46Å; L40-M44 WeakPolarHBondContact O-CB 3.43Å; L40-M44 VanDerWaalsContact O-CG 3.27Å; L40-M44 WeakPolarHBondContact O-CG 3.43Å; L40-M44 PolarHBondContact O-N 3Å; L40-L60 HydrophobicContact CB-CD2 4.38Å; L40-L60 HydrophobicContact CD1-CD2 3.91Å; L40-F90 HydrophobicContact CD2-CE1 4.24Å; L40-I91 HydrophobicContact CD2-CG1 4.43Å; L40-N94 HydrophobicContact CD2-CB 3.94Å; L40-I95 HydrophobicContact CD1-CD1 4.28Å; L40-A98 HydrophobicContact CD1-CB 4.03Å; L40-L110 HydrophobicContact CD1-CD2 4.22Å
41Q85.3Confident80.9Confident109 Ų10953.7 Ų53.751%0.50929%0.288SS..Hα-helixtrans-62.7-41.8176.7-70.7175.96.600112.8S37 A38 M44 S45 F90S37-Q41 WeakPolarHBondContact O-CG 3.42Å; S37-Q41 PolarHBondContact O-N 3.42Å; S37-Q41 VanDerWaalsContact O-N 3.15Å; A38-Q41 PolarHBondContact O-N 3.45Å; Q41-M44 PolarHBondContact O-N 3.07Å; Q41-S45 PolarHBondContact O-N 3.05Å; Q41-S45 VanDerWaalsContact O-N 3.11Å; Q41-F90 HydrophobicContact CG-CE1 4.44Å; Q41-F90 HydrophobicContact CG-CZ 4.24Å
42V84.6Confident81.9Confident8 Ų850 Ų505%0.04827%0.265CS..Hα-helixtrans-62.8-43.7175.41670000110.7L6 I7 L10 A38 L39 L40 M44 S45 L48L6-V42 HydrophobicContact CD2-CG2 4.04Å; I7-V42 HydrophobicContact CD1-CG2 4.44Å; I7-V42 HydrophobicContact CG1-CG1 4.01Å; I7-V42 HydrophobicContact CG1-CG2 4.11Å; L10-V42 HydrophobicContact CD1-CG1 3.93Å; A38-V42 WeakPolarHBondContact O-CG2 3.21Å; A38-V42 PolarHBondContact O-N 2.83Å; L39-V42 PolarHBondContact O-N 2.93Å; L40-V42 PolarHBondContact O-N 3.11Å; V42-M44 PolarHBondContact O-N 3.29Å; V42-S45 PolarHBondContact O-N 3.15Å; V42-L48 HydrophobicContact CB-CD1 4.46Å; V42-L48 HydrophobicContact CG1-CD1 3.67Å
43T84.1Confident82.6Confident0 Ų046.8 Ų46.80%025%0.249CC..Hα-helixtrans-60.5-36176.8-59.20000112.1L39 L40 R53 V57 I106L39-T43 WeakPolarHBondContact O-CB 3.47Å; L39-T43 PolarHBondContact O-N 3.28Å; L39-T43 PolarHBondContact O-OG1 3.38Å; L40-T43 WeakPolarHBondContact O-CB 3.5Å; L40-T43 PolarHBondContact O-N 3.5Å; T43-R53 PolarHBondContact O-NE 3.44Å; T43-R53 PolarHBondContact O-NH2 3.17Å; T43-V57 HydrophobicContact CG2-CB 3.69Å; T43-V57 HydrophobicContact CG2-CG2 4.04Å; T43-I106 HydrophobicContact CG2-CG2 3.61Å
44M82.6Confident83.5Confident51 Ų5145.9 Ų45.925%0.25124%0.24SC..Hα-helixtrans-84.2-7.8-179-70.4-55.1-61.700114.7L40 Q41 V42 D46 A98 H101 S102L40-M44 HydrophobicContact CD1-CG 4.46Å; L40-M44 WeakPolarHBondContact O-CB 3.43Å; L40-M44 VanDerWaalsContact O-CG 3.27Å; L40-M44 WeakPolarHBondContact O-CG 3.43Å; L40-M44 PolarHBondContact O-N 3Å; Q41-M44 PolarHBondContact O-N 3.07Å; V42-M44 PolarHBondContact O-N 3.29Å; M44-D46 PolarHBondContact O-N 2.81Å; M44-A98 HydrophobicContact CE-CB 4.13Å; M44-A98 HydrophobicContact CG-CB 3.96Å; M44-A98 WeakPolarHBondContact SD-CA 3.49Å; M44-A98 HydrophobicContact SD-CB 3.38Å; M44-A98 WeakPolarHBondContact SD-CB 3.48Å; M44-H101 HydrophobicContact CE-CB 4.09Å; M44-S102 PolarHBondContact SD-OG 3.21Å
45S85.5Confident83.8Confident34 Ų3442.3 Ų42.324%0.23822%0.224CC..  trans-77.3113.3-178.6-176.10000111.9Q41 V42 Q47 L48 R53Q41-S45 PolarHBondContact O-N 3.05Å; Q41-S45 VanDerWaalsContact O-N 3.11Å; V42-S45 PolarHBondContact O-N 3.15Å; S45-Q47 PolarHBondContact O-N 3.22Å; S45-L48 PolarHBondContact O-N 2.82Å; S45-R53 WeakPolarHBondContact O-CD 3.36Å
46D79.8Confident84.1Confident131 Ų13142.3 Ų42.370%0.70122%0.224SC*.THydrogen-bonded Turntrans-70.4-7174.9-67.2-33.8000114.1M44 L48 R53M44-D46 PolarHBondContact O-N 2.81Å; D46-L48 VanDerWaalsContact C-N 3.28Å; D46-R53 IonicContact OD1-CZ 3.39Å; D46-R53 IonicContact OD1-NH1 2.83Å; D46-R53 PolarHBondContact OD1-NH1 2.87Å; D46-R53 IonicContact OD1-NH2 2.81Å; D46-R53 PolarHBondContact OD1-NH2 2.86Å; D46-R53 VanDerWaalsContact OD1-NH2 3.14Å
47Q82.1Confident84.4Confident187 Ų18742.2 Ų42.287%0.87422%0.223SC*.THydrogen-bonded Turntrans-81-9.8176.1-60.5-179.71.400112.9S45S45-Q47 PolarHBondContact O-N 3.22Å
48L83Confident84.6Confident27 Ų2744.9 Ų44.914%0.14124%0.236CC..SBendtrans-103.2147.8-176.9-63.2176.4000112.1I7 V42 S45 D46 R53I7-L48 HydrophobicContact CD1-CD1 3.89Å; I7-L48 HydrophobicContact CD1-CD2 3.93Å; I7-L48 HydrophobicContact CG1-CD1 3.91Å; I7-L48 HydrophobicContact CG1-CD2 4.31Å; I7-L48 HydrophobicContact CG2-CD2 4.07Å; V42-L48 HydrophobicContact CB-CD1 4.46Å; V42-L48 HydrophobicContact CG1-CD1 3.67Å; S45-L48 PolarHBondContact O-N 2.82Å; D46-L48 VanDerWaalsContact C-N 3.28Å; L48-R53 HydrophobicContact CB-CG 3.97Å; L48-R53 WeakPolarHBondContact O-CD 3.18Å
49D84.2Confident84.7Confident86 Ų8646.1 Ų46.146%0.4624%0.239SC..  trans-61.6139.8177.5-55.3-49.3000111R11 P51 V52 R53R11-D49 IonicContact CZ-OD2 3.52Å; R11-D49 IonicContact NH1-OD2 3.4Å; R11-D49 PolarHBondContact NH1-OD2 3.06Å; R11-D49 IonicContact NH2-OD2 2.82Å; R11-D49 PolarHBondContact NH2-OD2 3.32Å; D49-P51 VanDerWaalsContact C-CD 3.41Å; D49-P51 VanDerWaalsContact C-N 3.33Å; D49-V52 HydrophobicContact CB-CG2 4.39Å; D49-V52 PolarHBondContact O-N 3.09Å; D49-R53 PolarHBondContact O-N 3.29Å
50L83.1Confident84.8Confident70 Ų7046.1 Ų46.137%0.36624%0.239SC..Hα-helixtrans-52.2-40.5-178.1-174.868.1000114V52 R53 Q54 P103 I106L50-V52 VanDerWaalsContact C-N 3.33Å; L50-V52 PolarHBondContact O-N 3.43Å; L50-R53 PolarHBondContact O-N 3.27Å; L50-Q54 WeakPolarHBondContact O-CB 3.45Å; L50-Q54 PolarHBondContact O-N 3.01Å; L50-P103 HydrophobicContact CD1-CG 3.85Å; L50-I106 HydrophobicContact CD1-CD1 3.98Å; L50-I106 HydrophobicContact CD1-CG1 4.34Å
51P85.4Confident85Confident69 Ų6948.1 Ų48.145%0.44825%0.248SC..Hα-helixtrans-61.2-37.7176.9-25.536.7000113.7M14 D49 Q54 A55M14-P51 HydrophobicContact CE-CB 4.15Å; M14-P51 HydrophobicContact SD-CB 3.53Å; M14-P51 VanDerWaalsContact SD-CB 3.53Å; D49-P51 VanDerWaalsContact C-CD 3.41Å; D49-P51 VanDerWaalsContact C-N 3.33Å; P51-Q54 PolarHBondContact O-N 3.39Å; P51-A55 PolarHBondContact O-N 3.31Å
52V85Confident85Confident1 Ų146.1 Ų46.11%0.00624%0.24CC..Hα-helixtrans-69.3-42.1178.3-177.80000110.4I7 L10 R11 M14 D49 L50 Q54 A55 G56I7-V52 HydrophobicContact CG2-CG1 4.4Å; L10-V52 HydrophobicContact CB-CG1 4Å; R11-V52 HydrophobicContact CG-CG1 4.43Å; R11-V52 HydrophobicContact CG-CG2 3.62Å; M14-V52 HydrophobicContact CE-CG2 3.69Å; D49-V52 HydrophobicContact CB-CG2 4.39Å; D49-V52 PolarHBondContact O-N 3.09Å; L50-V52 VanDerWaalsContact C-N 3.33Å; L50-V52 PolarHBondContact O-N 3.43Å; V52-Q54 VanDerWaalsContact C-N 3.29Å; V52-Q54 PolarHBondContact O-N 2.91Å; V52-A55 PolarHBondContact O-N 2.97Å; V52-G56 PolarHBondContact O-N 3.15Å
53R86.9Confident85Confident17 Ų1746.1 Ų46.16%0.06424%0.24CC..Hα-helixtrans-63.4-37.1174.5-62.3171.665.7170.57111.6T43 S45 D46 L48 D49 L50 G56 V57 I106T43-R53 PolarHBondContact O-NE 3.44Å; T43-R53 PolarHBondContact O-NH2 3.17Å; S45-R53 WeakPolarHBondContact O-CD 3.36Å; D46-R53 IonicContact OD1-CZ 3.39Å; D46-R53 IonicContact OD1-NH1 2.83Å; D46-R53 PolarHBondContact OD1-NH1 2.87Å; D46-R53 IonicContact OD1-NH2 2.81Å; D46-R53 PolarHBondContact OD1-NH2 2.86Å; D46-R53 VanDerWaalsContact OD1-NH2 3.14Å; L48-R53 HydrophobicContact CB-CG 3.97Å; L48-R53 WeakPolarHBondContact O-CD 3.18Å; D49-R53 PolarHBondContact O-N 3.29Å; L50-R53 PolarHBondContact O-N 3.27Å; R53-G56 PolarHBondContact O-N 3.2Å; R53-V57 PolarHBondContact O-N 2.91Å; R53-I106 HydrophobicContact CB-CD1 3.56Å
54Q85.9Confident85Confident55 Ų5546.2 Ų46.226%0.25724%0.24SC..Hα-helixtrans-67.6-43.7176.4-173.1174.1-8.500111.9L50 P51 V52 G56 V57 I58L50-Q54 WeakPolarHBondContact O-CB 3.45Å; L50-Q54 PolarHBondContact O-N 3.01Å; P51-Q54 PolarHBondContact O-N 3.39Å; V52-Q54 VanDerWaalsContact C-N 3.29Å; V52-Q54 PolarHBondContact O-N 2.91Å; Q54-G56 VanDerWaalsContact C-N 3.32Å; Q54-G56 PolarHBondContact O-N 3.43Å; Q54-V57 VanDerWaalsContact O-CG1 3.27Å; Q54-V57 WeakPolarHBondContact O-CG1 3.36Å; Q54-V57 PolarHBondContact O-N 3.28Å; Q54-I58 HydrophobicContact CG-CD1 3.94Å; Q54-I58 WeakPolarHBondContact O-CD1 3.36Å; Q54-I58 VanDerWaalsContact O-CG1 3.22Å; Q54-I58 WeakPolarHBondContact O-CG1 3.44Å; Q54-I58 PolarHBondContact O-N 2.88Å
55A85Confident85.1Confident21 Ų2146.5 Ų46.517%0.17425%0.245CC..Hα-helixtrans-60.6-43.3173.400000111.4L10 P51 V52 I58 Y59L10-A55 HydrophobicContact CD2-CB 4.28Å; P51-A55 PolarHBondContact O-N 3.31Å; V52-A55 PolarHBondContact O-N 2.97Å; A55-I58 PolarHBondContact O-N 3.4Å; A55-Y59 PolarHBondContact O-N 3.32Å
56G85.9Confident84.9Confident0 Ų050.6 Ų50.60%026%0.261CS..Hα-helixtrans-60.2-45.3177.200000113.4V52 R53 Q54 Y59 L60V52-G56 PolarHBondContact O-N 3.15Å; R53-G56 PolarHBondContact O-N 3.2Å; Q54-G56 VanDerWaalsContact C-N 3.32Å; Q54-G56 PolarHBondContact O-N 3.43Å; G56-Y59 PolarHBondContact O-N 2.92Å; G56-L60 WeakPolarHBondContact O-CB 3.37Å; G56-L60 PolarHBondContact O-N 3.49Å
57V87.4Confident85Confident0 Ų046 Ų460%024%0.235CC..Hα-helixtrans-71.2-33.1179.375.10000113T43 R53 Q54 L60 K61 I106 Q109 L110T43-V57 HydrophobicContact CG2-CB 3.69Å; T43-V57 HydrophobicContact CG2-CG2 4.04Å; R53-V57 PolarHBondContact O-N 2.91Å; Q54-V57 VanDerWaalsContact O-CG1 3.27Å; Q54-V57 WeakPolarHBondContact O-CG1 3.36Å; Q54-V57 PolarHBondContact O-N 3.28Å; V57-L60 PolarHBondContact O-N 3.39Å; V57-K61 WeakPolarHBondContact O-CB 3.41Å; V57-K61 PolarHBondContact O-N 3.05Å; V57-I106 HydrophobicContact CB-CG2 4.23Å; V57-I106 HydrophobicContact CG1-CG1 4.47Å; V57-I106 HydrophobicContact CG1-CG2 4.3Å; V57-I106 HydrophobicContact CG2-CG2 4.09Å; V57-Q109 HydrophobicContact CB-CB 4.32Å; V57-Q109 HydrophobicContact CG1-CB 3.73Å; V57-Q109 HydrophobicContact CG1-CG 3.88Å; V57-Q109 HydrophobicContact CG2-CB 3.67Å; V57-L110 HydrophobicContact CG2-CD2 3.49Å; V57-L110 VanDerWaalsContact CG2-CD2 3.49Å; V57-L110 HydrophobicContact CG2-CG 3.7Å
58I87.1Confident84.9Confident60 Ų6037.3 Ų37.331%0.30819%0.194SC..Hα-helixtrans-65.7-44175.4-69.8166.1000109.7Q54 A55 K61 N62 Q109Q54-I58 HydrophobicContact CG-CD1 3.94Å; Q54-I58 WeakPolarHBondContact O-CD1 3.36Å; Q54-I58 VanDerWaalsContact O-CG1 3.22Å; Q54-I58 WeakPolarHBondContact O-CG1 3.44Å; Q54-I58 PolarHBondContact O-N 2.88Å; A55-I58 PolarHBondContact O-N 3.4Å; I58-K61 WeakPolarHBondContact O-CB 3.36Å; I58-K61 PolarHBondContact O-N 3.3Å; I58-N62 VanDerWaalsContact O-CG 3.3Å; I58-N62 PolarHBondContact O-N 3.46Å; I58-N62 PolarHBondContact O-OD1 3.1Å; I58-Q109 HydrophobicContact CG1-CG 4.3Å
59Y85.8Confident84.3Confident38 Ų3838 Ų3815%0.14920%0.201CC..Hα-helixtrans-63.2-44.3175.7-163-88.4000111.4L26 N27 F35 L39 A55 G56 K61 N62 M63L26-Y59 HydrophobicContact CB-CE1 4.49Å; L26-Y59 HydrophobicContact CB-CE2 3.88Å; L26-Y59 HydrophobicContact CD1-CD2 4.21Å; L26-Y59 HydrophobicContact CD1-CE2 4.22Å; L26-Y59 PolarHBondContact O-OH 3.17Å; N27-Y59 PolarHBondContact OD1-OH 2.77Å; F35-Y59 HydrophobicContact CE1-CD1 4.47Å; F35-Y59 AromaticContact CE1-CE1 3.85Å; F35-Y59 HydrophobicContact CE1-CE1 3.85Å; F35-Y59 HydrophobicContact CZ-CE1 4.21Å; L39-Y59 HydrophobicContact CD1-CD1 3.75Å; L39-Y59 HydrophobicContact CD1-CE1 4.28Å; A55-Y59 PolarHBondContact O-N 3.32Å; G56-Y59 PolarHBondContact O-N 2.92Å; Y59-K61 VanDerWaalsContact C-N 3.32Å; Y59-K61 PolarHBondContact O-N 3.23Å; Y59-N62 PolarHBondContact O-N 2.95Å; Y59-M63 HydrophobicContact CD1-CG 3.96Å; Y59-M63 HydrophobicContact CD1-SD 3.95Å; Y59-M63 HydrophobicContact CE1-CG 3.74Å; Y59-M63 HydrophobicContact CE1-SD 3.56Å; Y59-M63 VanDerWaalsContact CE1-SD 3.56Å; Y59-M63 WeakPolarHBondContact O-CG 3.47Å; Y59-M63 PolarHBondContact O-N 3.05Å
60L87.1Confident83.2Confident1 Ų139.1 Ų39.11%0.00520%0.203CC..Hα-helixtrans-56.8-44.7174.117763.8000112V36 L40 G56 V57 M63 V64 L110V36-L60 HydrophobicContact CG1-CD1 3.27Å; L40-L60 HydrophobicContact CB-CD2 4.38Å; L40-L60 HydrophobicContact CD1-CD2 3.91Å; G56-L60 WeakPolarHBondContact O-CB 3.37Å; G56-L60 PolarHBondContact O-N 3.49Å; V57-L60 PolarHBondContact O-N 3.39Å; L60-M63 PolarHBondContact O-N 3.26Å; L60-V64 HydrophobicContact CD1-CG2 4.29Å; L60-V64 WeakPolarHBondContact O-CG2 3.48Å; L60-V64 PolarHBondContact O-N 3.33Å; L60-L110 HydrophobicContact CD2-CD2 4.07Å
61K88.6Confident81.6Confident46 Ų4638.1 Ų38.120%0.221%0.211CC..Hα-helixtrans-58.8-50.9176.1-179.5-163.970.1-1790111.2V57 I58 Y59 M63 V64 T65 T112 C113V57-K61 WeakPolarHBondContact O-CB 3.41Å; V57-K61 PolarHBondContact O-N 3.05Å; I58-K61 WeakPolarHBondContact O-CB 3.36Å; I58-K61 PolarHBondContact O-N 3.3Å; Y59-K61 VanDerWaalsContact C-N 3.32Å; Y59-K61 PolarHBondContact O-N 3.23Å; K61-M63 VanDerWaalsContact C-N 3.27Å; K61-M63 PolarHBondContact O-N 3.05Å; K61-V64 PolarHBondContact O-N 3.03Å; K61-V64 VanDerWaalsContact O-N 3.15Å; K61-T65 WeakPolarHBondContact O-CB 3.29Å; K61-T65 PolarHBondContact O-N 3.28Å; K61-T65 PolarHBondContact O-OG1 3.42Å; K61-T112 HydrophobicContact CD-CG2 3.88Å; K61-T112 HydrophobicContact CG-CG2 4Å; K61-C113 WeakPolarHBondContact CA-SG 3.37Å
62N86.3Confident79.3Confident67 Ų6741.7 Ų41.736%0.35823%0.226SC..Hα-helixtrans-59.5-40.9-179.4-65.9-6.3000111.1I58 Y59 T65 Q66I58-N62 VanDerWaalsContact O-CG 3.3Å; I58-N62 PolarHBondContact O-N 3.46Å; I58-N62 PolarHBondContact O-OD1 3.1Å; Y59-N62 PolarHBondContact O-N 2.95Å; N62-T65 PolarHBondContact O-N 2.95Å; N62-Q66 WeakPolarHBondContact O-CB 3.08Å; N62-Q66 VanDerWaalsContact O-CG 3.32Å; N62-Q66 WeakPolarHBondContact O-CG 3.37Å; N62-Q66 PolarHBondContact O-N 3.45Å
63M83.3Confident77.2Confident8 Ų845.9 Ų45.94%0.03927%0.269CS..Hα-helixtrans-62.4-45.3174.8-72.9-162.772.900113.1H30 F35 V36 L39 Y59 L60 K61 Q66 H67H30-M63 HydrophobicContact CB-CE 3.78Å; H30-M63 HydrophobicContact CB-SD 4.39Å; F35-M63 HydrophobicContact CD1-CE 4.32Å; F35-M63 HydrophobicContact CD1-SD 3.97Å; F35-M63 HydrophobicContact CE1-SD 3.76Å; V36-M63 HydrophobicContact CG2-CE 3.66Å; V36-M63 HydrophobicContact CG2-SD 4.09Å; L39-M63 HydrophobicContact CD1-SD 3.93Å; Y59-M63 HydrophobicContact CD1-CG 3.96Å; Y59-M63 HydrophobicContact CD1-SD 3.95Å; Y59-M63 HydrophobicContact CE1-CG 3.74Å; Y59-M63 HydrophobicContact CE1-SD 3.56Å; Y59-M63 VanDerWaalsContact CE1-SD 3.56Å; Y59-M63 WeakPolarHBondContact O-CG 3.47Å; Y59-M63 PolarHBondContact O-N 3.05Å; L60-M63 PolarHBondContact O-N 3.26Å; K61-M63 VanDerWaalsContact C-N 3.27Å; K61-M63 PolarHBondContact O-N 3.05Å; M63-Q66 PolarHBondContact O-N 2.96Å; M63-H67 WeakPolarHBondContact O-CB 3.39Å; M63-H67 PolarHBondContact O-N 3.38Å
64V85.4Confident75Confident1 Ų151.1 Ų51.11%0.00630%0.303CS..Hα-helixtrans-66.5-39.2178173.30000110.7L60 K61 W68 C113 H116 M117L60-V64 HydrophobicContact CD1-CG2 4.29Å; L60-V64 WeakPolarHBondContact O-CG2 3.48Å; L60-V64 PolarHBondContact O-N 3.33Å; K61-V64 PolarHBondContact O-N 3.03Å; K61-V64 VanDerWaalsContact O-N 3.15Å; V64-W68 HydrophobicContact CB-CE3 4.35Å; V64-W68 HydrophobicContact CG1-CB 4.31Å; V64-W68 HydrophobicContact CG1-CD2 4.19Å; V64-W68 HydrophobicContact CG1-CE3 3.93Å; V64-W68 HydrophobicContact CG1-CG 4.37Å; V64-W68 HydrophobicContact CG2-CE3 4Å; V64-W68 HydrophobicContact CG2-CZ3 4.23Å; V64-W68 WeakPolarHBondContact O-CB 3.33Å; V64-W68 PolarHBondContact O-N 3.44Å; V64-C113 HydrophobicContact CB-CB 4.5Å; V64-C113 HydrophobicContact CG1-CB 4.35Å; V64-C113 HydrophobicContact CG2-CB 4.47Å; V64-H116 HydrophobicContact CG1-CB 4.04Å; V64-M117 HydrophobicContact CG1-CG 4.04Å
65T84.5Confident72.6Confident58 Ų5853.1 Ų53.136%0.35632%0.324SS..Hα-helixtrans-67-38.4178.2-63.40000112.2K61 N62 H116K61-T65 WeakPolarHBondContact O-CB 3.29Å; K61-T65 PolarHBondContact O-N 3.28Å; K61-T65 PolarHBondContact O-OG1 3.42Å; N62-T65 PolarHBondContact O-N 2.95Å; T65-H116 PolarHBondContact OG1-CD2 3Å; T65-H116 PolarHBondContact OG1-NE2 3.12Å; T65-H116 VanDerWaalsContact OG1-NE2 3.12Å
66Q81.8Confident70.5Confident120 Ų12059.2 Ų59.256%0.56136%0.358SS*.Hα-helixtrans-91.8-29.7-173.7-67.6175.2-7.800114.6N62 M63N62-Q66 WeakPolarHBondContact O-CB 3.08Å; N62-Q66 VanDerWaalsContact O-CG 3.32Å; N62-Q66 WeakPolarHBondContact O-CG 3.37Å; N62-Q66 PolarHBondContact O-N 3.45Å; M63-Q66 PolarHBondContact O-N 2.96Å
67H80.9Confident68.3Low35 Ų3567.3 Ų67.316%0.16240%0.397CS..Hα-helixtrans-125.712.6-166.9-56.4-55.5000114.4M63 I83M63-H67 WeakPolarHBondContact O-CB 3.39Å; M63-H67 PolarHBondContact O-N 3.38Å; H67-I83 HydrophobicContact CB-CD1 4.27Å; H67-I83 HydrophobicContact CB-CG1 3.93Å; H67-I83 PolarHBondContact O-N 3.47Å
68W79.5Confident65.9Low4 Ų473.3 Ų73.32%0.01543%0.433CS..SBendtrans-86.7-33.7177.2-161-85.5000113.4V64 I83 R88 I91 M117 D121V64-W68 HydrophobicContact CB-CE3 4.35Å; V64-W68 HydrophobicContact CG1-CB 4.31Å; V64-W68 HydrophobicContact CG1-CD2 4.19Å; V64-W68 HydrophobicContact CG1-CE3 3.93Å; V64-W68 HydrophobicContact CG1-CG 4.37Å; V64-W68 HydrophobicContact CG2-CE3 4Å; V64-W68 HydrophobicContact CG2-CZ3 4.23Å; V64-W68 WeakPolarHBondContact O-CB 3.33Å; V64-W68 PolarHBondContact O-N 3.44Å; W68-I83 HydrophobicContact CE3-CD1 3.84Å; W68-I83 HydrophobicContact CZ3-CD1 4.35Å; W68-R88 HydrophobicContact CE3-CG 4.27Å; W68-R88 HydrophobicContact CH2-CB 3.72Å; W68-R88 HydrophobicContact CH2-CG 3.76Å; W68-R88 HydrophobicContact CZ2-CB 4.02Å; W68-R88 HydrophobicContact CZ2-CG 4.06Å; W68-R88 HydrophobicContact CZ3-CB 4.28Å; W68-R88 HydrophobicContact CZ3-CG 3.87Å; W68-R88 PolarHBondContact O-NH2 3.28Å; W68-I91 HydrophobicContact CH2-CB 4.29Å; W68-I91 HydrophobicContact CH2-CD1 4.38Å; W68-I91 HydrophobicContact CH2-CG2 4.37Å; W68-I91 HydrophobicContact CZ3-CD1 3.88Å; W68-M117 HydrophobicContact CD2-CG 4.1Å; W68-M117 HydrophobicContact CE3-CG 4.37Å; W68-M117 HydrophobicContact CH2-CE 3.71Å; W68-M117 HydrophobicContact CH2-CG 3.97Å; W68-M117 HydrophobicContact CH2-SD 4.17Å; W68-M117 HydrophobicContact CZ2-CB 4.28Å; W68-M117 HydrophobicContact CZ2-CE 3.76Å; W68-M117 HydrophobicContact CZ2-CG 3.67Å; W68-M117 HydrophobicContact CZ2-SD 4.34Å; W68-M117 HydrophobicContact CZ3-CG 4.31Å; W68-D121 WeakPolarHBondContact CZ2-OD2 3.48Å; W68-D121 PolarHBondContact NE1-OD2 3.31Å
69S70.2Confident63.7Low42 Ų4276.1 Ų76.129%0.29446%0.455SS..SBendtrans-76.8126.3176.752.50000111.6G71 N82S69-G71 PolarHBondContact O-N 2.98Å; S69-N82 PolarHBondContact O-OD1 3Å
70E61.5Low62.1Low108 Ų10878 Ų7851%0.50547%0.471SS..  trans-71.6107157.9-76.2155.3-161.100105.8D72 R88 K125E70-D72 PolarHBondContact O-N 3.26Å; E70-R88 IonicContact OE1-CZ 2.71Å; E70-R88 IonicContact OE1-NH1 3.43Å; E70-R88 PolarHBondContact OE1-NH1 3.42Å; E70-K125 IonicContact OE2-NZ 3.57Å; E70-K125 PolarHBondContact OE2-NZ 2.73Å
71G49.2Very low60.7Low50 Ų5082.4 Ų82.452%0.51549%0.494SS..  trans-52.4139.9-175.600000112.2S69 G73S69-G71 PolarHBondContact O-N 2.98Å; G71-G73 PolarHBondContact O-N 3.26Å
72D38Very low59.9Low143 Ų14383 Ų8377%0.76550%0.5SS*.  trans-56.7130.6162.1-79.4-35.6000107.4E70 T74E70-D72 PolarHBondContact O-N 3.26Å; D72-T74 PolarHBondContact O-N 2.87Å
73G40.8Very low59.4Low89 Ų8980.2 Ų80.292%0.91848%0.484SS*.THydrogen-bonded Turntrans-7137.4-168.500000115.5G71G71-G73 PolarHBondContact O-N 3.26Å
74T39.9Very low59.3Low127 Ų12781.7 Ų81.778%0.77950%0.495SS*.THydrogen-bonded Turntrans-107.9-14.2-175.847.70000114.4D72D72-T74 PolarHBondContact O-N 2.87Å
75S36.8Very low59.1Low98 Ų9885.9 Ų85.969%0.68551%0.514SS*.  trans-97.3108175.450.60000112E77S75-E77 PolarHBondContact O-N 3.43Å; S75-E77 VanDerWaalsContact O-N 3.07Å
76T40.1Very low58.9Low148 Ų14889.8 Ų89.891%0.90853%0.528SS*.  trans-72.218.7-1776.60000116.6
77E40.7Very low58.9Low171 Ų17184 Ų8480%0.79950%0.502SS*.SBendtrans-131.7115.8-178-63.9-162.9162.500113.1S75S75-E77 PolarHBondContact O-N 3.43Å; S75-E77 VanDerWaalsContact O-N 3.07Å
78T36.6Very low59.1Low126 Ų12682.6 Ų82.677%0.77350%0.495SS*.  trans74.4129.5174.958.30000119.1V80T78-V80 PolarHBondContact O-N 3.45Å; T78-V80 VanDerWaalsContact O-N 3.11Å
79P40.3Very low59.4Low119 Ų11986.2 Ų86.277%0.77351%0.512SS*.  trans-68.8108.8172.427.6-30.8000109.5N81P79-N81 PolarHBondContact O-N 3.27Å; P79-N81 VanDerWaalsContact O-N 3.12Å
80V52.2Low60.1Low77 Ų7787 Ų8747%0.46751%0.51SS..  trans-65.2113.1175.4-170.70000108.4T78 N82T78-V80 PolarHBondContact O-N 3.45Å; T78-V80 VanDerWaalsContact O-N 3.11Å; V80-N82 VanDerWaalsContact C-N 3.3Å; V80-N82 WeakPolarHBondContact CG1-OD1 3.39Å; V80-N82 PolarHBondContact O-N 2.86Å; V80-N82 PolarHBondContact O-OD1 3.34Å
81N58.8Low61.4Low94 Ų9482 Ų8250%0.50349%0.487SS..  trans-68.588.1173.2-84.2-30.3000109.3T31 P79T31-N81 HydrophobicContact CG2-CB 4.43Å; P79-N81 PolarHBondContact O-N 3.27Å; P79-N81 VanDerWaalsContact O-N 3.12Å
82N70.3Confident63.2Low58 Ų5879.8 Ų79.831%0.3146%0.463SS..PPolyproline II helixtrans-70.4149.7-179.7-68.3-20.3000112.4S69 V80S69-N82 PolarHBondContact O-OD1 3Å; V80-N82 VanDerWaalsContact C-N 3.3Å; V80-N82 WeakPolarHBondContact CG1-OD1 3.39Å; V80-N82 PolarHBondContact O-N 2.86Å; V80-N82 PolarHBondContact O-OD1 3.34Å
83I76.9Confident65.5Low8 Ų876.2 Ų76.24%0.04144%0.444CS..PPolyproline II helixtrans-61132.3175.4-62.5167.3000109.5V36 H67 W68 D87 R88V36-I83 HydrophobicContact CG2-CG1 4.37Å; V36-I83 HydrophobicContact CG2-CG2 4.02Å; H67-I83 HydrophobicContact CB-CD1 4.27Å; H67-I83 HydrophobicContact CB-CG1 3.93Å; H67-I83 PolarHBondContact O-N 3.47Å; W68-I83 HydrophobicContact CE3-CD1 3.84Å; W68-I83 HydrophobicContact CZ3-CD1 4.35Å; I83-D87 HydrophobicContact CG2-CB 3.85Å; I83-R88 HydrophobicContact CB-CG 4.18Å; I83-R88 HydrophobicContact CG2-CG 3.87Å; I83-R88 PolarHBondContact O-NE 3.46Å; I83-R88 VanDerWaalsContact O-NE 3.16Å
84P80.6Confident67.8Low40 Ų4074.7 Ų74.726%0.2641%0.414SS..PPolyproline II helixtrans-57142.5177.5-24.733.9000112.8V33 E86 D87 R88V33-P84 HydrophobicContact CG2-CG 4.28Å; P84-E86 VanDerWaalsContact C-N 3.25Å; P84-E86 PolarHBondContact O-N 3.42Å; P84-D87 WeakPolarHBondContact O-CB 3.42Å; P84-D87 PolarHBondContact O-N 3.16Å; P84-R88 PolarHBondContact O-N 3.43Å
85E80.5Confident70.1Confident89 Ų8968.6 Ų68.642%0.41638%0.377SS..Hα-helixtrans-62.2-30.5-177.3-170.359.5-154.900113.1D87 R88 Q89 R92E85-D87 VanDerWaalsContact C-N 3.34Å; E85-D87 PolarHBondContact O-N 2.71Å; E85-R88 PolarHBondContact O-N 3.03Å; E85-R88 VanDerWaalsContact OE2-CD 3.29Å; E85-R88 WeakPolarHBondContact OE2-CD 3.36Å; E85-R88 IonicContact OE2-NH1 3.89Å; E85-R88 PolarHBondContact OE2-NH1 2.88Å; E85-Q89 WeakPolarHBondContact O-CB 3.32Å; E85-Q89 PolarHBondContact O-N 3.13Å; E85-R92 IonicContact OE1-CZ 2.8Å; E85-R92 IonicContact OE1-NH1 2.73Å; E85-R92 PolarHBondContact OE1-NH1 3.25Å; E85-R92 IonicContact OE1-NH2 3.75Å; E85-R92 PolarHBondContact OE1-NH2 3.44Å; E85-R92 IonicContact OE2-NH2 3.48Å
86E81.8Confident72.5Confident139 Ų13964 Ų6465%0.6535%0.345SS*.Hα-helixtrans-61.3-42.4173.4-64.7-177.3174.700111.8P84 F90P84-E86 VanDerWaalsContact C-N 3.25Å; P84-E86 PolarHBondContact O-N 3.42Å; E86-F90 PolarHBondContact O-N 3.37Å
87D81.7Confident74.8Confident0 Ų060.5 Ų60.50%032%0.318CS..Hα-helixtrans-71-39.9176.3-80.7-25.7000111.2N34 V36 S37 I83 P84 E85 Q89 F90 I91N34-D87 WeakPolarHBondContact CA-OD1 3.46Å; N34-D87 WeakPolarHBondContact CA-OD2 3.48Å; N34-D87 PolarHBondContact N-OD1 2.69Å; N34-D87 PolarHBondContact N-OD2 2.95Å; V36-D87 HydrophobicContact CB-CB 4.38Å; S37-D87 WeakPolarHBondContact CB-OD1 3.49Å; S37-D87 PolarHBondContact OG-OD1 3.4Å; I83-D87 HydrophobicContact CG2-CB 3.85Å; P84-D87 WeakPolarHBondContact O-CB 3.42Å; P84-D87 PolarHBondContact O-N 3.16Å; E85-D87 VanDerWaalsContact C-N 3.34Å; E85-D87 PolarHBondContact O-N 2.71Å; D87-Q89 VanDerWaalsContact C-N 3.32Å; D87-Q89 PolarHBondContact O-N 3.39Å; D87-F90 PolarHBondContact O-N 2.66Å; D87-I91 VanDerWaalsContact O-CD1 3.31Å; D87-I91 WeakPolarHBondContact O-CD1 3.46Å; D87-I91 WeakPolarHBondContact O-CG1 3.45Å; D87-I91 PolarHBondContact O-N 3.05Å
88R84.4Confident77Confident5 Ų552.5 Ų52.52%0.01928%0.281CS..Hα-helixtrans-58.4-45.9174.2-68.6179175.4171-3.3111.1W68 E70 I83 P84 E85 I91 R92W68-R88 HydrophobicContact CE3-CG 4.27Å; W68-R88 HydrophobicContact CH2-CB 3.72Å; W68-R88 HydrophobicContact CH2-CG 3.76Å; W68-R88 HydrophobicContact CZ2-CB 4.02Å; W68-R88 HydrophobicContact CZ2-CG 4.06Å; W68-R88 HydrophobicContact CZ3-CB 4.28Å; W68-R88 HydrophobicContact CZ3-CG 3.87Å; W68-R88 PolarHBondContact O-NH2 3.28Å; E70-R88 IonicContact OE1-CZ 2.71Å; E70-R88 IonicContact OE1-NH1 3.43Å; E70-R88 PolarHBondContact OE1-NH1 3.42Å; I83-R88 HydrophobicContact CB-CG 4.18Å; I83-R88 HydrophobicContact CG2-CG 3.87Å; I83-R88 PolarHBondContact O-NE 3.46Å; I83-R88 VanDerWaalsContact O-NE 3.16Å; P84-R88 PolarHBondContact O-N 3.43Å; E85-R88 PolarHBondContact O-N 3.03Å; E85-R88 VanDerWaalsContact OE2-CD 3.29Å; E85-R88 WeakPolarHBondContact OE2-CD 3.36Å; E85-R88 IonicContact OE2-NH1 3.89Å; E85-R88 PolarHBondContact OE2-NH1 2.88Å; R88-I91 PolarHBondContact O-N 2.94Å; R88-R92 WeakPolarHBondContact O-CG 3.5Å; R88-R92 PolarHBondContact O-N 3.01Å
89Q85.1Confident79.4Confident79 Ų7946.5 Ų46.537%0.36924%0.244SC..Hα-helixtrans-64.8-42.9178.2-173.256.237.600112E85 D87 I91 R92 D93E85-Q89 WeakPolarHBondContact O-CB 3.32Å; E85-Q89 PolarHBondContact O-N 3.13Å; D87-Q89 VanDerWaalsContact C-N 3.32Å; D87-Q89 PolarHBondContact O-N 3.39Å; Q89-I91 VanDerWaalsContact C-N 3.29Å; Q89-I91 PolarHBondContact O-N 3.14Å; Q89-R92 PolarHBondContact O-N 3.01Å; Q89-D93 PolarHBondContact NE2-OD1 3.35Å; Q89-D93 PolarHBondContact NE2-OD2 2.97Å; Q89-D93 PolarHBondContact O-N 2.9Å
90F86.8Confident81.6Confident60 Ų6041.2 Ų41.226%0.26321%0.21SC..Hα-helixtrans-58.4-41.6175.1-177.7-92.3000112.1S37 L40 Q41 E86 D87 D93 N94S37-F90 VanDerWaalsContact CB-CD1 3.49Å; S37-F90 WeakPolarHBondContact OG-CB 3.37Å; S37-F90 VanDerWaalsContact OG-CD1 3.25Å; S37-F90 WeakPolarHBondContact OG-CD1 3.21Å; S37-F90 WeakPolarHBondContact OG-CG 3.4Å; L40-F90 HydrophobicContact CD2-CE1 4.24Å; Q41-F90 HydrophobicContact CG-CE1 4.44Å; Q41-F90 HydrophobicContact CG-CZ 4.24Å; E86-F90 PolarHBondContact O-N 3.37Å; D87-F90 PolarHBondContact O-N 2.66Å; F90-D93 PolarHBondContact O-N 3.2Å; F90-N94 PolarHBondContact O-N 2.89Å; F90-N94 VanDerWaalsContact O-N 3.14Å; F90-N94 PolarHBondContact O-ND2 2.72Å
91I87.4Confident83.2Confident1 Ų143.2 Ų43.21%0.00521%0.214CC..Hα-helixtrans-68.3-45.6178-62.4157.8000110.5V36 L40 W68 D87 R88 Q89 D93 N94 I95 M117V36-I91 HydrophobicContact CB-CD1 4.01Å; V36-I91 HydrophobicContact CG1-CD1 3.34Å; V36-I91 HydrophobicContact CG1-CG1 4.39Å; L40-I91 HydrophobicContact CD2-CG1 4.43Å; W68-I91 HydrophobicContact CH2-CB 4.29Å; W68-I91 HydrophobicContact CH2-CD1 4.38Å; W68-I91 HydrophobicContact CH2-CG2 4.37Å; W68-I91 HydrophobicContact CZ3-CD1 3.88Å; D87-I91 VanDerWaalsContact O-CD1 3.31Å; D87-I91 WeakPolarHBondContact O-CD1 3.46Å; D87-I91 WeakPolarHBondContact O-CG1 3.45Å; D87-I91 PolarHBondContact O-N 3.05Å; R88-I91 PolarHBondContact O-N 2.94Å; Q89-I91 VanDerWaalsContact C-N 3.29Å; Q89-I91 PolarHBondContact O-N 3.14Å; I91-D93 PolarHBondContact O-N 3.2Å; I91-D93 VanDerWaalsContact O-N 3.14Å; I91-N94 PolarHBondContact O-N 3.42Å; I91-N94 VanDerWaalsContact O-N 3.15Å; I91-I95 HydrophobicContact CG2-CB 4.16Å; I91-I95 HydrophobicContact CG2-CD1 4.42Å; I91-I95 WeakPolarHBondContact O-CB 3.35Å; I91-I95 VanDerWaalsContact O-CG2 3.28Å; I91-I95 WeakPolarHBondContact O-CG2 3.4Å; I91-I95 PolarHBondContact O-N 3.02Å; I91-M117 HydrophobicContact CB-CE 4.47Å; I91-M117 HydrophobicContact CG2-CE 3.79Å; I91-M117 HydrophobicContact CG2-SD 3.78Å
92R87.2Confident84.5Confident4 Ų438.8 Ų38.82%0.01519%0.19CC..Hα-helixtrans-54.3-33.4172.6-71.9-180-160.1126.62.4111.9E85 R88 Q89 M117 D121 W126 K132E85-R92 IonicContact OE1-CZ 2.8Å; E85-R92 IonicContact OE1-NH1 2.73Å; E85-R92 PolarHBondContact OE1-NH1 3.25Å; E85-R92 IonicContact OE1-NH2 3.75Å; E85-R92 PolarHBondContact OE1-NH2 3.44Å; E85-R92 IonicContact OE2-NH2 3.48Å; R88-R92 WeakPolarHBondContact O-CG 3.5Å; R88-R92 PolarHBondContact O-N 3.01Å; Q89-R92 PolarHBondContact O-N 3.01Å; R92-M117 HydrophobicContact CB-CE 4.36Å; R92-M117 HydrophobicContact CG-CE 3.69Å; R92-D121 IonicContact CZ-OD2 3.25Å; R92-D121 VanDerWaalsContact CZ-OD2 3.28Å; R92-D121 IonicContact NE-OD2 2.72Å; R92-D121 PolarHBondContact NE-OD2 2.9Å; R92-D121 IonicContact NH2-OD1 3.46Å; R92-D121 IonicContact NH2-OD2 3.93Å; R92-D121 PolarHBondContact NH2-OD2 2.98Å; R92-W126 HydrophobicContact CB-CD2 4.28Å; R92-W126 HydrophobicContact CB-CZ2 3.99Å; R92-W126 HydrophobicContact CG-CD2 3.85Å; R92-W126 HydrophobicContact CG-CE3 4.27Å; R92-W126 HydrophobicContact CG-CG 4.11Å; R92-W126 HydrophobicContact CG-CZ2 4.25Å; R92-W126 WeakPolarHBondContact O-CZ2 3.43Å; R92-K132 PolarHBondContact O-NZ 3.39Å
93D86.4Confident85.2Confident69 Ų6938.4 Ų38.437%0.36919%0.191SC..Hα-helixtrans-74.5-36.5-179.4-74.9-33.1000114Q89 F90 I91 K132Q89-D93 PolarHBondContact NE2-OD1 3.35Å; Q89-D93 PolarHBondContact NE2-OD2 2.97Å; Q89-D93 PolarHBondContact O-N 2.9Å; F90-D93 PolarHBondContact O-N 3.2Å; I91-D93 PolarHBondContact O-N 3.2Å; I91-D93 VanDerWaalsContact O-N 3.14Å; D93-K132 PolarHBondContact O-NZ 2.87Å; D93-K132 IonicContact OD1-NZ 2.91Å; D93-K132 PolarHBondContact OD1-NZ 3.06Å
94N88.9Confident85.5Confident56 Ų5645 Ų4530%0.29922%0.222SC..Hα-helixtrans-112.2-15.9-168.6-64.7-84.6000115.2L40 F90 I91 V96 E97 A98L40-N94 HydrophobicContact CD2-CB 3.94Å; F90-N94 PolarHBondContact O-N 2.89Å; F90-N94 VanDerWaalsContact O-N 3.14Å; F90-N94 PolarHBondContact O-ND2 2.72Å; I91-N94 PolarHBondContact O-N 3.42Å; I91-N94 VanDerWaalsContact O-N 3.15Å; N94-V96 VanDerWaalsContact C-N 3.32Å; N94-V96 PolarHBondContact O-N 3.42Å; N94-E97 PolarHBondContact O-N 2.77Å; N94-A98 WeakPolarHBondContact O-CB 3.44Å; N94-A98 PolarHBondContact O-N 2.81Å
95I88.4Confident85.7Confident0 Ų050.8 Ų50.80%024%0.238CC..Hα-helixtrans-62-35.7-172.3-16866.3000113.4L40 I91 A98 I99 L110 I114 M117 W126L40-I95 HydrophobicContact CD1-CD1 4.28Å; I91-I95 HydrophobicContact CG2-CB 4.16Å; I91-I95 HydrophobicContact CG2-CD1 4.42Å; I91-I95 WeakPolarHBondContact O-CB 3.35Å; I91-I95 VanDerWaalsContact O-CG2 3.28Å; I91-I95 WeakPolarHBondContact O-CG2 3.4Å; I91-I95 PolarHBondContact O-N 3.02Å; I95-A98 WeakPolarHBondContact O-CB 3.48Å; I95-A98 PolarHBondContact O-N 3.23Å; I95-I99 HydrophobicContact CG1-CD1 4.25Å; I95-I99 VanDerWaalsContact O-CG1 3.32Å; I95-I99 WeakPolarHBondContact O-CG1 3.21Å; I95-I99 PolarHBondContact O-N 3.27Å; I95-L110 HydrophobicContact CD1-CB 4.35Å; I95-L110 HydrophobicContact CD1-CD2 3.73Å; I95-I114 HydrophobicContact CG1-CB 4.44Å; I95-I114 HydrophobicContact CG2-CD1 4.21Å; I95-I114 HydrophobicContact CG2-CG1 4.4Å; I95-M117 HydrophobicContact CG1-SD 4.4Å; I95-M117 HydrophobicContact CG2-CE 4.15Å; I95-M117 HydrophobicContact CG2-SD 4.37Å; I95-W126 HydrophobicContact CG2-CH2 3.72Å; I95-W126 HydrophobicContact CG2-CZ2 4.17Å
96V87.4Confident86Confident0 Ų046.6 Ų46.60%022%0.218CC..Hα-helixtrans-66-45.3179.5177.50000110.7N94 A98 I99 I100 I114 I129 K132 Y136 I148N94-V96 VanDerWaalsContact C-N 3.32Å; N94-V96 PolarHBondContact O-N 3.42Å; V96-A98 VanDerWaalsContact C-N 3.27Å; V96-A98 PolarHBondContact O-N 2.96Å; V96-I99 PolarHBondContact O-N 3.03Å; V96-I100 HydrophobicContact CG1-CD1 4.18Å; V96-I100 WeakPolarHBondContact O-CG1 3.4Å; V96-I100 PolarHBondContact O-N 3.45Å; V96-I100 VanDerWaalsContact O-N 3.15Å; V96-I114 HydrophobicContact CG2-CD1 4.2Å; V96-I129 HydrophobicContact CG2-CD1 3.55Å; V96-K132 HydrophobicContact CG2-CD 4.47Å; V96-Y136 HydrophobicContact CG1-CD2 4.18Å; V96-Y136 HydrophobicContact CG1-CE2 4.47Å; V96-I148 HydrophobicContact CG1-CD1 3.4Å; V96-I148 VanDerWaalsContact CG1-CD1 3.4Å
97E88.3Confident86.3Confident75 Ų7542 Ų4235%0.3520%0.195SC..Hα-helixtrans-66.6-34.5176.5-58.7-175.1176.100110.9N94 I100 H101 Y136N94-E97 PolarHBondContact O-N 2.77Å; E97-I100 PolarHBondContact O-N 2.94Å; E97-H101 PolarHBondContact O-N 2.97Å; E97-H101 VanDerWaalsContact O-N 3.14Å; E97-H101 PolarHBondContact O-ND1 3.33Å; E97-Y136 VanDerWaalsContact CD-OH 3.29Å; E97-Y136 HydrophobicContact CG-CE2 4.15Å; E97-Y136 WeakPolarHBondContact CG-OH 3.16Å; E97-Y136 PolarHBondContact OE1-OH 3.37Å
98A86.6Confident86.6Confident3 Ų345.8 Ų45.83%0.02522%0.218CC..Hα-helixtrans-61.3-45.4174.700000112.2L40 M44 N94 I95 V96 I100 S102 L110L40-A98 HydrophobicContact CD1-CB 4.03Å; M44-A98 HydrophobicContact CE-CB 4.13Å; M44-A98 HydrophobicContact CG-CB 3.96Å; M44-A98 WeakPolarHBondContact SD-CA 3.49Å; M44-A98 HydrophobicContact SD-CB 3.38Å; M44-A98 WeakPolarHBondContact SD-CB 3.48Å; N94-A98 WeakPolarHBondContact O-CB 3.44Å; N94-A98 PolarHBondContact O-N 2.81Å; I95-A98 WeakPolarHBondContact O-CB 3.48Å; I95-A98 PolarHBondContact O-N 3.23Å; V96-A98 VanDerWaalsContact C-N 3.27Å; V96-A98 PolarHBondContact O-N 2.96Å; A98-I100 VanDerWaalsContact C-N 3.34Å; A98-I100 PolarHBondContact O-N 3.36Å; A98-S102 WeakPolarHBondContact O-CB 3.45Å; A98-S102 PolarHBondContact O-N 2.99Å; A98-S102 VanDerWaalsContact O-N 3.07Å; A98-S102 PolarHBondContact O-OG 3.29Å; A98-L110 HydrophobicContact CB-CD1 3.86Å
99I87.5Confident86.8Confident0 Ų047.4 Ų47.40%023%0.226CC..Hα-helixtrans-63.5-40.6177.6-69.4166.4000111.3I95 V96 R107 L110 I114 G147 C151I95-I99 HydrophobicContact CG1-CD1 4.25Å; I95-I99 VanDerWaalsContact O-CG1 3.32Å; I95-I99 WeakPolarHBondContact O-CG1 3.21Å; I95-I99 PolarHBondContact O-N 3.27Å; V96-I99 PolarHBondContact O-N 3.03Å; I99-R107 HydrophobicContact CG2-CG 3.79Å; I99-R107 WeakPolarHBondContact O-CG 3.05Å; I99-R107 PolarHBondContact O-NE 3Å; I99-L110 HydrophobicContact CD1-CB 4.28Å; I99-L110 HydrophobicContact CG1-CB 3.57Å; I99-L110 HydrophobicContact CG1-CD1 4.19Å; I99-I114 HydrophobicContact CD1-CB 4.12Å; I99-I114 HydrophobicContact CD1-CD1 4.07Å; I99-I114 HydrophobicContact CD1-CG2 3.91Å; I99-G147 WeakPolarHBondContact CG2-O 3.44Å; I99-C151 WeakPolarHBondContact CD1-SG 3.28Å
100I87.3Confident87Confident9 Ų943.6 Ų43.65%0.04621%0.208CC..Hα-helixtrans-62-48.6-179.5-73.6167.8000111.7V96 E97 A98 Y136 I148V96-I100 HydrophobicContact CG1-CD1 4.18Å; V96-I100 WeakPolarHBondContact O-CG1 3.4Å; V96-I100 PolarHBondContact O-N 3.45Å; V96-I100 VanDerWaalsContact O-N 3.15Å; E97-I100 PolarHBondContact O-N 2.94Å; A98-I100 VanDerWaalsContact C-N 3.34Å; A98-I100 PolarHBondContact O-N 3.36Å; I100-Y136 HydrophobicContact CD1-CD1 3.78Å; I100-Y136 HydrophobicContact CD1-CD2 3.95Å; I100-Y136 HydrophobicContact CD1-CE1 4.15Å; I100-Y136 HydrophobicContact CD1-CE2 4.3Å; I100-Y136 HydrophobicContact CD1-CG 3.68Å; I100-I148 HydrophobicContact CD1-CD1 4.42Å
101H85.4Confident87.1Confident119 Ų11941.3 Ų41.355%0.55120%0.199SC*.Hα-helixtrans-89.1-11.9-172.9-59.193.2000113.6M44 E97M44-H101 HydrophobicContact CE-CB 4.09Å; E97-H101 PolarHBondContact O-N 2.97Å; E97-H101 VanDerWaalsContact O-N 3.14Å; E97-H101 PolarHBondContact O-ND1 3.33Å
102S85.6Confident87.2Confident1 Ų143.7 Ų43.71%0.00721%0.214CC..SBendtrans-76.6147.9-177-73.20000113.6M44 A98 R107M44-S102 PolarHBondContact SD-OG 3.21Å; A98-S102 WeakPolarHBondContact O-CB 3.45Å; A98-S102 PolarHBondContact O-N 2.99Å; A98-S102 VanDerWaalsContact O-N 3.07Å; A98-S102 PolarHBondContact O-OG 3.29Å; S102-R107 PolarHBondContact O-NE 2.97Å; S102-R107 PolarHBondContact O-NH2 3.44Å
103P85.3Confident87.3Confident49 Ų4943.5 Ų43.532%0.31821%0.213SC..  trans-67.4160.4168.830.4-35.5000111.3L50 R105 I106 R107L50-P103 HydrophobicContact CD1-CG 3.85Å; P103-R105 PolarHBondContact O-N 2.89Å; P103-I106 HydrophobicContact CG-CB 4.24Å; P103-I106 HydrophobicContact CG-CD1 3.78Å; P103-I106 HydrophobicContact CG-CG1 4.06Å; P103-I106 PolarHBondContact O-N 3.39Å; P103-R107 WeakPolarHBondContact O-CB 3.27Å; P103-R107 PolarHBondContact O-N 3.06Å
104E82.9Confident87.5Confident148 Ų14840.2 Ų40.269%0.69220%0.196SC*.Hα-helixtrans-50-48.7-172.6-175.2173.4-16900113.9I106 R107 V108E104-I106 VanDerWaalsContact C-N 3.27Å; E104-I106 PolarHBondContact O-N 3.15Å; E104-R107 WeakPolarHBondContact O-CB 3.3Å; E104-R107 PolarHBondContact O-N 3.18Å; E104-R107 VanDerWaalsContact O-N 3.14Å; E104-V108 HydrophobicContact CG-CG2 4.47Å; E104-V108 WeakPolarHBondContact O-CG2 3.4Å; E104-V108 PolarHBondContact O-N 3.44Å
105R84.2Confident87.5Confident161 Ų16139.7 Ų39.761%0.60819%0.191SC*.Hα-helixtrans-57.7-36.9-179.6-66.8-171178.6-165.9-1.4113.7P103P103-R105 PolarHBondContact O-N 2.89Å
106I87.6Confident87.5Confident0 Ų041.6 Ų41.60%020%0.2CC..Hα-helixtrans-81.1-41.8177.7-63.7177000109.8T43 L50 R53 V57 P103 E104 V108 Q109 L110T43-I106 HydrophobicContact CG2-CG2 3.61Å; L50-I106 HydrophobicContact CD1-CD1 3.98Å; L50-I106 HydrophobicContact CD1-CG1 4.34Å; R53-I106 HydrophobicContact CB-CD1 3.56Å; V57-I106 HydrophobicContact CB-CG2 4.23Å; V57-I106 HydrophobicContact CG1-CG1 4.47Å; V57-I106 HydrophobicContact CG1-CG2 4.3Å; V57-I106 HydrophobicContact CG2-CG2 4.09Å; P103-I106 HydrophobicContact CG-CB 4.24Å; P103-I106 HydrophobicContact CG-CD1 3.78Å; P103-I106 HydrophobicContact CG-CG1 4.06Å; P103-I106 PolarHBondContact O-N 3.39Å; E104-I106 VanDerWaalsContact C-N 3.27Å; E104-I106 PolarHBondContact O-N 3.15Å; I106-V108 VanDerWaalsContact C-N 3.31Å; I106-V108 PolarHBondContact O-N 3.02Å; I106-Q109 PolarHBondContact O-N 3.43Å; I106-Q109 VanDerWaalsContact O-N 3.13Å; I106-L110 HydrophobicContact CG2-CD1 3.88Å; I106-L110 HydrophobicContact CG2-CG 4.12Å; I106-L110 PolarHBondContact O-N 3.23Å
107R88.9Confident87.6Confident43 Ų4341.6 Ų41.616%0.16220%0.2CC..Hα-helixtrans-56.9-42.2-178.9-167.6-175.5-59.1155.5-0.3112.3I99 S102 P103 E104 Q109 L110 T111 L150I99-R107 HydrophobicContact CG2-CG 3.79Å; I99-R107 WeakPolarHBondContact O-CG 3.05Å; I99-R107 PolarHBondContact O-NE 3Å; S102-R107 PolarHBondContact O-NE 2.97Å; S102-R107 PolarHBondContact O-NH2 3.44Å; P103-R107 WeakPolarHBondContact O-CB 3.27Å; P103-R107 PolarHBondContact O-N 3.06Å; E104-R107 WeakPolarHBondContact O-CB 3.3Å; E104-R107 PolarHBondContact O-N 3.18Å; E104-R107 VanDerWaalsContact O-N 3.14Å; R107-Q109 VanDerWaalsContact C-N 3.35Å; R107-Q109 PolarHBondContact O-N 3.06Å; R107-L110 PolarHBondContact O-N 3.49Å; R107-T111 WeakPolarHBondContact O-CB 3.37Å; R107-T111 PolarHBondContact O-N 3.19Å; R107-T111 PolarHBondContact O-OG1 2.9Å; R107-L150 HydrophobicContact CG-CD1 4.05Å
108V86.6Confident87.6Confident79 Ų7938 Ų3848%0.47918%0.183SC..Hα-helixtrans-60-44.8177.8173.70000111E104 I106 T111 T112E104-V108 HydrophobicContact CG-CG2 4.47Å; E104-V108 WeakPolarHBondContact O-CG2 3.4Å; E104-V108 PolarHBondContact O-N 3.44Å; I106-V108 VanDerWaalsContact C-N 3.31Å; I106-V108 PolarHBondContact O-N 3.02Å; V108-T111 WeakPolarHBondContact O-CB 3.32Å; V108-T111 PolarHBondContact O-N 3.43Å; V108-T112 PolarHBondContact O-N 3.07Å; V108-T112 PolarHBondContact O-OG1 3.28Å
109Q89.5Confident87.6Confident39 Ų3943.8 Ų43.818%0.18221%0.208CC..Hα-helixtrans-68.5-42.5179.5-55.7-59.8-44.500111.8V57 I58 I106 R107 T111 T112 C113V57-Q109 HydrophobicContact CB-CB 4.32Å; V57-Q109 HydrophobicContact CG1-CB 3.73Å; V57-Q109 HydrophobicContact CG1-CG 3.88Å; V57-Q109 HydrophobicContact CG2-CB 3.67Å; I58-Q109 HydrophobicContact CG1-CG 4.3Å; I106-Q109 PolarHBondContact O-N 3.43Å; I106-Q109 VanDerWaalsContact O-N 3.13Å; R107-Q109 VanDerWaalsContact C-N 3.35Å; R107-Q109 PolarHBondContact O-N 3.06Å; Q109-T111 PolarHBondContact O-N 3.24Å; Q109-T112 WeakPolarHBondContact O-CB 3.42Å; Q109-T112 PolarHBondContact O-N 3.49Å; Q109-T112 VanDerWaalsContact O-N 3.1Å; Q109-C113 PolarHBondContact O-N 3.41Å; Q109-C113 VanDerWaalsContact O-N 3.16Å; Q109-C113 PolarHBondContact O-SG 3.38Å; Q109-C113 VanDerWaalsContact O-SG 3.37Å
110L89.7Confident87.5Confident0 Ų048 Ų480%023%0.227CC..Hα-helixtrans-62.8-31.1174.5-66.4176.5000112.6L40 V57 L60 I95 A98 I99 I106 R107 T112 C113 I114L40-L110 HydrophobicContact CD1-CD2 4.22Å; V57-L110 HydrophobicContact CG2-CD2 3.49Å; V57-L110 VanDerWaalsContact CG2-CD2 3.49Å; V57-L110 HydrophobicContact CG2-CG 3.7Å; L60-L110 HydrophobicContact CD2-CD2 4.07Å; I95-L110 HydrophobicContact CD1-CB 4.35Å; I95-L110 HydrophobicContact CD1-CD2 3.73Å; A98-L110 HydrophobicContact CB-CD1 3.86Å; I99-L110 HydrophobicContact CD1-CB 4.28Å; I99-L110 HydrophobicContact CG1-CB 3.57Å; I99-L110 HydrophobicContact CG1-CD1 4.19Å; I106-L110 HydrophobicContact CG2-CD1 3.88Å; I106-L110 HydrophobicContact CG2-CG 4.12Å; I106-L110 PolarHBondContact O-N 3.23Å; R107-L110 PolarHBondContact O-N 3.49Å; L110-T112 VanDerWaalsContact C-N 3.31Å; L110-C113 WeakPolarHBondContact O-CB 3.45Å; L110-C113 PolarHBondContact O-N 3.32Å; L110-I114 PolarHBondContact O-N 3.27Å
111T88.8Confident87.3Confident11 Ų1147.8 Ų47.87%0.06723%0.226CC..Hα-helixtrans-66.9-33.7175.4-57.20000111.2R107 V108 Q109 I114 H115 L150 Q154R107-T111 WeakPolarHBondContact O-CB 3.37Å; R107-T111 PolarHBondContact O-N 3.19Å; R107-T111 PolarHBondContact O-OG1 2.9Å; V108-T111 WeakPolarHBondContact O-CB 3.32Å; V108-T111 PolarHBondContact O-N 3.43Å; Q109-T111 PolarHBondContact O-N 3.24Å; T111-I114 WeakPolarHBondContact O-CG2 3.36Å; T111-H115 PolarHBondContact O-N 3.19Å; T111-H115 VanDerWaalsContact O-N 3.16Å; T111-L150 HydrophobicContact CG2-CB 4.34Å; T111-Q154 HydrophobicContact CG2-CG 3.46Å; T111-Q154 VanDerWaalsContact CG2-CG 3.46Å
112T88.4Confident87.3Confident51 Ų5143.1 Ų43.131%0.31320%0.204SC..Hα-helixtrans-67.6-40.8170.4-52.30000111.4K61 V108 Q109 L110 I114 H115 H116K61-T112 HydrophobicContact CD-CG2 3.88Å; K61-T112 HydrophobicContact CG-CG2 4Å; V108-T112 PolarHBondContact O-N 3.07Å; V108-T112 PolarHBondContact O-OG1 3.28Å; Q109-T112 WeakPolarHBondContact O-CB 3.42Å; Q109-T112 PolarHBondContact O-N 3.49Å; Q109-T112 VanDerWaalsContact O-N 3.1Å; L110-T112 VanDerWaalsContact C-N 3.31Å; T112-I114 PolarHBondContact O-N 3.45Å; T112-H115 WeakPolarHBondContact O-CB 3.48Å; T112-H115 PolarHBondContact O-N 3.12Å; T112-H116 PolarHBondContact O-CD2 3.26Å; T112-H116 PolarHBondContact O-N 2.97Å
113C89.6Confident86.9Confident1 Ų145.9 Ų45.91%0.00722%0.222CC..Hα-helixtrans-57.9-50.7175.8-55.70000111.5K61 V64 Q109 L110 H115 H116 M117K61-C113 WeakPolarHBondContact CA-SG 3.37Å; V64-C113 HydrophobicContact CB-CB 4.5Å; V64-C113 HydrophobicContact CG1-CB 4.35Å; V64-C113 HydrophobicContact CG2-CB 4.47Å; Q109-C113 PolarHBondContact O-N 3.41Å; Q109-C113 VanDerWaalsContact O-N 3.16Å; Q109-C113 PolarHBondContact O-SG 3.38Å; Q109-C113 VanDerWaalsContact O-SG 3.37Å; L110-C113 WeakPolarHBondContact O-CB 3.45Å; L110-C113 PolarHBondContact O-N 3.32Å; C113-H115 VanDerWaalsContact C-N 3.26Å; C113-H115 PolarHBondContact O-N 3.17Å; C113-H116 PolarHBondContact O-N 2.97Å; C113-M117 VanDerWaalsContact O-CG 3.28Å; C113-M117 WeakPolarHBondContact O-CG 3.35Å; C113-M117 PolarHBondContact O-N 2.97Å
114I90.8Very high86.6Confident0 Ų046.8 Ų46.80%024%0.24CC..Hα-helixtrans-65.5-30.9-178.5-158173.9000112.1I95 V96 I99 L110 T111 T112 M117 I118 W126 I129 C151 Q154I95-I114 HydrophobicContact CG1-CB 4.44Å; I95-I114 HydrophobicContact CG2-CD1 4.21Å; I95-I114 HydrophobicContact CG2-CG1 4.4Å; V96-I114 HydrophobicContact CG2-CD1 4.2Å; I99-I114 HydrophobicContact CD1-CB 4.12Å; I99-I114 HydrophobicContact CD1-CD1 4.07Å; I99-I114 HydrophobicContact CD1-CG2 3.91Å; L110-I114 PolarHBondContact O-N 3.27Å; T111-I114 WeakPolarHBondContact O-CG2 3.36Å; T112-I114 PolarHBondContact O-N 3.45Å; I114-M117 PolarHBondContact O-N 3.44Å; I114-I118 HydrophobicContact CG1-CD1 4.1Å; I114-I118 HydrophobicContact CG1-CG1 4.36Å; I114-I118 WeakPolarHBondContact O-CB 3.48Å; I114-I118 WeakPolarHBondContact O-CG1 3.45Å; I114-I118 PolarHBondContact O-N 3.42Å; I114-W126 HydrophobicContact CD1-CH2 4.11Å; I114-W126 HydrophobicContact CG1-CH2 3.97Å; I114-W126 HydrophobicContact CG1-CZ3 4.06Å; I114-I129 HydrophobicContact CD1-CD1 4.02Å; I114-C151 HydrophobicContact CD1-CB 4Å; I114-Q154 HydrophobicContact CG2-CB 4.28Å; I114-Q154 HydrophobicContact CG2-CG 4.06Å
115H89.2Confident86.5Confident44 Ų4445.4 Ų45.420%0.20423%0.232CC..Hα-helixtrans-60.6-50173.9-179.674.4000111.9T111 T112 C113 M117 I118 K119 Q154T111-H115 PolarHBondContact O-N 3.19Å; T111-H115 VanDerWaalsContact O-N 3.16Å; T112-H115 WeakPolarHBondContact O-CB 3.48Å; T112-H115 PolarHBondContact O-N 3.12Å; C113-H115 VanDerWaalsContact C-N 3.26Å; C113-H115 PolarHBondContact O-N 3.17Å; H115-M117 VanDerWaalsContact C-N 3.34Å; H115-M117 PolarHBondContact O-N 3.24Å; H115-I118 PolarHBondContact O-N 3.25Å; H115-K119 PolarHBondContact O-N 3.16Å; H115-Q154 HydrophobicContact CB-CB 4.14Å; H115-Q154 HydrophobicContact CB-CG 4.07Å; H115-Q154 PolarHBondContact ND1-OE1 2.83Å; H115-Q154 VanDerWaalsContact ND1-OE1 3.07Å
116H87.8Confident86.4Confident41 Ų4138.1 Ų38.119%0.1920%0.204CC..Hα-helixtrans-62.3-40.7175.6-78.7-78.6000112.2V64 T65 T112 C113 I118 K119 H120V64-H116 HydrophobicContact CG1-CB 4.04Å; T65-H116 PolarHBondContact OG1-CD2 3Å; T65-H116 PolarHBondContact OG1-NE2 3.12Å; T65-H116 VanDerWaalsContact OG1-NE2 3.12Å; T112-H116 PolarHBondContact O-CD2 3.26Å; T112-H116 PolarHBondContact O-N 2.97Å; C113-H116 PolarHBondContact O-N 2.97Å; H116-I118 PolarHBondContact O-N 2.94Å; H116-K119 PolarHBondContact O-N 3.07Å; H116-H120 PolarHBondContact O-CD2 3.14Å; H116-H120 VanDerWaalsContact O-CD2 3.25Å; H116-H120 PolarHBondContact O-N 3.5Å
117M88.9Confident86.1Confident0 Ų042.5 Ų42.50%023%0.231CC..Hα-helixtrans-61.1-45.3176.2-65.3169.76600111.7V64 W68 I91 R92 I95 C113 I114 H115 K119 H120 D121 W126V64-M117 HydrophobicContact CG1-CG 4.04Å; W68-M117 HydrophobicContact CD2-CG 4.1Å; W68-M117 HydrophobicContact CE3-CG 4.37Å; W68-M117 HydrophobicContact CH2-CE 3.71Å; W68-M117 HydrophobicContact CH2-CG 3.97Å; W68-M117 HydrophobicContact CH2-SD 4.17Å; W68-M117 HydrophobicContact CZ2-CB 4.28Å; W68-M117 HydrophobicContact CZ2-CE 3.76Å; W68-M117 HydrophobicContact CZ2-CG 3.67Å; W68-M117 HydrophobicContact CZ2-SD 4.34Å; W68-M117 HydrophobicContact CZ3-CG 4.31Å; I91-M117 HydrophobicContact CB-CE 4.47Å; I91-M117 HydrophobicContact CG2-CE 3.79Å; I91-M117 HydrophobicContact CG2-SD 3.78Å; R92-M117 HydrophobicContact CB-CE 4.36Å; R92-M117 HydrophobicContact CG-CE 3.69Å; I95-M117 HydrophobicContact CG1-SD 4.4Å; I95-M117 HydrophobicContact CG2-CE 4.15Å; I95-M117 HydrophobicContact CG2-SD 4.37Å; C113-M117 VanDerWaalsContact O-CG 3.28Å; C113-M117 WeakPolarHBondContact O-CG 3.35Å; C113-M117 PolarHBondContact O-N 2.97Å; I114-M117 PolarHBondContact O-N 3.44Å; H115-M117 VanDerWaalsContact C-N 3.34Å; H115-M117 PolarHBondContact O-N 3.24Å; M117-K119 VanDerWaalsContact C-N 3.35Å; M117-K119 PolarHBondContact O-N 2.92Å; M117-H120 PolarHBondContact O-N 3.26Å; M117-D121 VanDerWaalsContact O-CB 3.28Å; M117-D121 WeakPolarHBondContact O-CB 3.21Å; M117-D121 PolarHBondContact O-N 3.46Å; M117-W126 HydrophobicContact CB-CE3 4.38Å; M117-W126 HydrophobicContact CB-CZ3 3.89Å; M117-W126 HydrophobicContact CE-CE3 4.32Å; M117-W126 HydrophobicContact CE-CH2 3.76Å; M117-W126 HydrophobicContact CE-CZ2 4.47Å; M117-W126 HydrophobicContact CE-CZ3 3.68Å
118I88.6Confident86Confident0 Ų042.2 Ų42.20%024%0.238CC..Hα-helixtrans-62.1-43.3177.9-72.7167.6000110.7I114 H115 H116 H120 Y122 W126 Q154 L155 N158I114-I118 HydrophobicContact CG1-CD1 4.1Å; I114-I118 HydrophobicContact CG1-CG1 4.36Å; I114-I118 WeakPolarHBondContact O-CB 3.48Å; I114-I118 WeakPolarHBondContact O-CG1 3.45Å; I114-I118 PolarHBondContact O-N 3.42Å; H115-I118 PolarHBondContact O-N 3.25Å; H116-I118 PolarHBondContact O-N 2.94Å; I118-H120 PolarHBondContact O-N 3.2Å; I118-Y122 WeakPolarHBondContact O-CB 3.41Å; I118-Y122 PolarHBondContact O-N 3.38Å; I118-W126 HydrophobicContact CG1-CZ3 4.39Å; I118-Q154 HydrophobicContact CD1-CB 4.15Å; I118-L155 HydrophobicContact CD1-CB 4.18Å; I118-L155 HydrophobicContact CD1-CD1 4.45Å; I118-L155 HydrophobicContact CG2-CD1 3.77Å; I118-N158 HydrophobicContact CG2-CB 3.95Å
119K86.9Confident86Confident124 Ų12438.5 Ų38.554%0.53922%0.216SC..Hα-helixtrans-54.5-39.3-179.3-175.5177.7178.7-178.40113H115 H116 M117 N158H115-K119 PolarHBondContact O-N 3.16Å; H116-K119 PolarHBondContact O-N 3.07Å; M117-K119 VanDerWaalsContact C-N 3.35Å; M117-K119 PolarHBondContact O-N 2.92Å; K119-N158 VanDerWaalsContact CA-OD1 3.27Å; K119-N158 WeakPolarHBondContact CA-OD1 3.32Å; K119-N158 VanDerWaalsContact CB-OD1 3.32Å; K119-N158 WeakPolarHBondContact CB-OD1 2.95Å; K119-N158 WeakPolarHBondContact CG-OD1 3.48Å
120H84.7Confident85.9Confident87 Ų8737.5 Ų37.540%0.40321%0.212SC..Hα-helixtrans-98.4-32.8-176.3-65.8-71.1000114.1H116 M117 I118H116-H120 PolarHBondContact O-CD2 3.14Å; H116-H120 VanDerWaalsContact O-CD2 3.25Å; H116-H120 PolarHBondContact O-N 3.5Å; M117-H120 PolarHBondContact O-N 3.26Å; I118-H120 PolarHBondContact O-N 3.2Å
121D84.9Confident85.8Confident5 Ų543.2 Ų43.23%0.02724%0.243CC..Hα-helixtrans-102.1-21.9-170.4-69.8-11.5000114.2W68 R92 M117 G124 K125 W126W68-D121 WeakPolarHBondContact CZ2-OD2 3.48Å; W68-D121 PolarHBondContact NE1-OD2 3.31Å; R92-D121 IonicContact CZ-OD2 3.25Å; R92-D121 VanDerWaalsContact CZ-OD2 3.28Å; R92-D121 IonicContact NE-OD2 2.72Å; R92-D121 PolarHBondContact NE-OD2 2.9Å; R92-D121 IonicContact NH2-OD1 3.46Å; R92-D121 IonicContact NH2-OD2 3.93Å; R92-D121 PolarHBondContact NH2-OD2 2.98Å; M117-D121 VanDerWaalsContact O-CB 3.28Å; M117-D121 WeakPolarHBondContact O-CB 3.21Å; M117-D121 PolarHBondContact O-N 3.46Å; D121-G124 PolarHBondContact O-N 3Å; D121-K125 HydrophobicContact CB-CB 4.12Å; D121-K125 CarbonylContact O-C 3.6Å; D121-K125 WeakPolarHBondContact O-CA 3.45Å; D121-K125 PolarHBondContact O-N 3.24Å; D121-W126 HydrophobicContact CB-CB 3.81Å; D121-W126 PolarHBondContact O-N 3.33Å
122Y84.1Confident85.7Confident22 Ų2244.7 Ų44.79%0.08625%0.248CC..THydrogen-bonded Turntrans-100.5134.9-179.7-178.8-90.1000111I118 I129 V130 L155 Y159 P169I118-Y122 WeakPolarHBondContact O-CB 3.41Å; I118-Y122 PolarHBondContact O-N 3.38Å; Y122-I129 HydrophobicContact CD2-CG2 3.74Å; Y122-I129 HydrophobicContact CE2-CG2 4.2Å; Y122-V130 HydrophobicContact CE2-CG2 3.76Å; Y122-L155 HydrophobicContact CD1-CD1 3.55Å; Y122-L155 HydrophobicContact CD2-CD1 4.31Å; Y122-L155 HydrophobicContact CE1-CD1 3.63Å; Y122-L155 HydrophobicContact CE2-CD1 4.39Å; Y122-L155 HydrophobicContact CG-CD1 3.91Å; Y122-Y159 AromaticContact CD1-CE2 3.68Å; Y122-Y159 HydrophobicContact CD1-CE2 3.68Å; Y122-Y159 AromaticContact CD1-CZ 3.85Å; Y122-Y159 WeakPolarHBondContact CD1-OH 3.39Å; Y122-Y159 AromaticContact CE1-CE2 3.74Å; Y122-Y159 HydrophobicContact CE1-CE2 3.74Å; Y122-Y159 AromaticContact CE1-CZ 3.89Å; Y122-Y159 WeakPolarHBondContact CE1-OH 3.42Å; Y122-Y159 PolarHBondContact O-OH 3.2Å; Y122-P169 HydrophobicContact CE1-CB 4.01Å; Y122-P169 PolarHBondContact OH-O 2.85Å; Y122-P169 VanDerWaalsContact OH-O 3.14Å
123P76.7Confident85.7Confident58 Ų5842.3 Ų42.338%0.37723%0.234SC..THydrogen-bonded Turncis-93.4-3.19.239.1-37.1000114.8T127 Y159 P169P123-T127 VanDerWaalsContact O-CG2 3.23Å; P123-T127 WeakPolarHBondContact O-CG2 3.36Å; P123-Y159 WeakPolarHBondContact CD-OH 2.81Å; P123-P169 HydrophobicContact CB-CB 3.82Å; P123-P169 HydrophobicContact CB-CG 4.18Å; P123-P169 HydrophobicContact CG-CB 3.95Å; P123-P169 HydrophobicContact CG-CG 3.74Å
124G80.8Confident85.5Confident69 Ų6942.8 Ų42.871%0.71124%0.238SC*.THydrogen-bonded Turntrans-74.5-61.5-168.400000115.2D121D121-G124 PolarHBondContact O-N 3Å
125K78.9Confident85.4Confident118 Ų11849.5 Ų49.551%0.51327%0.268SS..THydrogen-bonded Turntrans-87.2-26.4-172.2-64.7-179.9180178.30113E70 D121E70-K125 IonicContact OE2-NZ 3.57Å; E70-K125 PolarHBondContact OE2-NZ 2.73Å; D121-K125 HydrophobicContact CB-CB 4.12Å; D121-K125 CarbonylContact O-C 3.6Å; D121-K125 WeakPolarHBondContact O-CA 3.45Å; D121-K125 PolarHBondContact O-N 3.24Å
126W83Confident85.2Confident8 Ų849.7 Ų49.73%0.0327%0.267CS..  trans-130.574.9-173.5-168.728.3000114.1R92 I95 I114 M117 I118 D121 I129R92-W126 HydrophobicContact CB-CD2 4.28Å; R92-W126 HydrophobicContact CB-CZ2 3.99Å; R92-W126 HydrophobicContact CG-CD2 3.85Å; R92-W126 HydrophobicContact CG-CE3 4.27Å; R92-W126 HydrophobicContact CG-CG 4.11Å; R92-W126 HydrophobicContact CG-CZ2 4.25Å; R92-W126 WeakPolarHBondContact O-CZ2 3.43Å; I95-W126 HydrophobicContact CG2-CH2 3.72Å; I95-W126 HydrophobicContact CG2-CZ2 4.17Å; I114-W126 HydrophobicContact CD1-CH2 4.11Å; I114-W126 HydrophobicContact CG1-CH2 3.97Å; I114-W126 HydrophobicContact CG1-CZ3 4.06Å; M117-W126 HydrophobicContact CB-CE3 4.38Å; M117-W126 HydrophobicContact CB-CZ3 3.89Å; M117-W126 HydrophobicContact CE-CE3 4.32Å; M117-W126 HydrophobicContact CE-CH2 3.76Å; M117-W126 HydrophobicContact CE-CZ2 4.47Å; M117-W126 HydrophobicContact CE-CZ3 3.68Å; I118-W126 HydrophobicContact CG1-CZ3 4.39Å; D121-W126 HydrophobicContact CB-CB 3.81Å; D121-W126 PolarHBondContact O-N 3.33Å; W126-I129 HydrophobicContact CD2-CB 4.1Å; W126-I129 HydrophobicContact CE3-CB 4.45Å; W126-I129 HydrophobicContact CH2-CD1 3.87Å; W126-I129 HydrophobicContact CH2-CG1 4.32Å; W126-I129 HydrophobicContact CZ2-CB 4.17Å; W126-I129 HydrophobicContact CZ2-CD1 3.86Å; W126-I129 HydrophobicContact CZ2-CG1 4.36Å; W126-I129 WeakPolarHBondContact O-CG2 3.39Å
127T82.3Confident85.1Confident92 Ų9247.9 Ų47.956%0.56426%0.259SS*.THydrogen-bonded Turntrans-77.3-28.7177.352.60000113.8P123 I129 V130P123-T127 VanDerWaalsContact O-CG2 3.23Å; P123-T127 WeakPolarHBondContact O-CG2 3.36Å; T127-I129 PolarHBondContact O-N 3.22Å; T127-V130 PolarHBondContact O-N 2.73Å
128A84.8Confident84.9Confident38 Ų3854 Ų5431%0.31429%0.287SS..Hα-helixtrans-62.7-13.8-175.700000114.7V130 D131 K132A128-V130 VanDerWaalsContact C-N 3.28Å; A128-V130 PolarHBondContact O-N 3.02Å; A128-D131 PolarHBondContact O-N 2.83Å; A128-K132 WeakPolarHBondContact O-CG 3.43Å; A128-K132 PolarHBondContact O-N 2.94Å; A128-K132 VanDerWaalsContact O-N 3.07Å
129I86.9Confident84.7Confident0 Ų055.6 Ų55.60%030%0.299CS..Hα-helixtrans-60.4-38.3176.4-173.854.8000111.9V96 I114 Y122 W126 T127 K132 I133V96-I129 HydrophobicContact CG2-CD1 3.55Å; I114-I129 HydrophobicContact CD1-CD1 4.02Å; Y122-I129 HydrophobicContact CD2-CG2 3.74Å; Y122-I129 HydrophobicContact CE2-CG2 4.2Å; W126-I129 HydrophobicContact CD2-CB 4.1Å; W126-I129 HydrophobicContact CE3-CB 4.45Å; W126-I129 HydrophobicContact CH2-CD1 3.87Å; W126-I129 HydrophobicContact CH2-CG1 4.32Å; W126-I129 HydrophobicContact CZ2-CB 4.17Å; W126-I129 HydrophobicContact CZ2-CD1 3.86Å; W126-I129 HydrophobicContact CZ2-CG1 4.36Å; W126-I129 WeakPolarHBondContact O-CG2 3.39Å; T127-I129 PolarHBondContact O-N 3.22Å; I129-K132 PolarHBondContact O-N 3.3Å; I129-I133 HydrophobicContact CD1-CD1 4.09Å; I129-I133 HydrophobicContact CD1-CG1 4.25Å; I129-I133 HydrophobicContact CG1-CD1 3.91Å; I129-I133 HydrophobicContact CG1-CG1 4.5Å; I129-I133 VanDerWaalsContact O-CG1 3.26Å; I129-I133 WeakPolarHBondContact O-CG1 3.47Å; I129-I133 PolarHBondContact O-N 3.49Å
130V87.1Confident84.1Confident18 Ų1856.3 Ų56.311%0.10931%0.308CS..Hα-helixtrans-65.4-45.3179178.20000110.1Y122 T127 A128 K132 I133 G134 A173 F177Y122-V130 HydrophobicContact CE2-CG2 3.76Å; T127-V130 PolarHBondContact O-N 2.73Å; A128-V130 VanDerWaalsContact C-N 3.28Å; A128-V130 PolarHBondContact O-N 3.02Å; V130-K132 PolarHBondContact O-N 3.19Å; V130-I133 PolarHBondContact O-N 3.22Å; V130-G134 PolarHBondContact O-N 3.31Å; V130-A173 HydrophobicContact CG1-CB 4.39Å; V130-A173 HydrophobicContact CG2-CB 4.21Å; V130-F177 HydrophobicContact CB-CZ 4.36Å; V130-F177 HydrophobicContact CG1-CE2 3.87Å; V130-F177 HydrophobicContact CG1-CZ 3.62Å; V130-F177 WeakPolarHBondContact O-CZ 3.23Å
131D88.2Confident83.7Confident120 Ų12056 Ų5664%0.64231%0.309SS*.Hα-helixtrans-62.7-42.2178.6-62.4-40000111.9A128 G134 F135A128-D131 PolarHBondContact O-N 2.83Å; D131-G134 PolarHBondContact O-N 3.4Å; D131-F135 WeakPolarHBondContact O-CB 3.17Å; D131-F135 PolarHBondContact O-N 3.12Å
132K87.3Confident83.1Confident43 Ų4359.4 Ų59.419%0.18733%0.334CS..Hα-helixtrans-64.3-43.3176.9-73.5-174.9-177.9-178.10112.2R92 D93 V96 A128 I129 V130 G134 F135 Y136R92-K132 PolarHBondContact O-NZ 3.39Å; D93-K132 PolarHBondContact O-NZ 2.87Å; D93-K132 IonicContact OD1-NZ 2.91Å; D93-K132 PolarHBondContact OD1-NZ 3.06Å; V96-K132 HydrophobicContact CG2-CD 4.47Å; A128-K132 WeakPolarHBondContact O-CG 3.43Å; A128-K132 PolarHBondContact O-N 2.94Å; A128-K132 VanDerWaalsContact O-N 3.07Å; I129-K132 PolarHBondContact O-N 3.3Å; V130-K132 PolarHBondContact O-N 3.19Å; K132-G134 VanDerWaalsContact C-N 3.33Å; K132-F135 PolarHBondContact O-N 3.43Å; K132-Y136 WeakPolarHBondContact O-CD2 3.48Å; K132-Y136 PolarHBondContact O-N 3.15Å; K132-Y136 VanDerWaalsContact O-N 3.09Å
133I87.7Confident82.6Confident1 Ų161.8 Ų61.81%0.00536%0.358CS..Hα-helixtrans-60.2-45.6175-68.8167.9000110.3I129 V130 F135 L137 I148 C151 L152 F177I129-I133 HydrophobicContact CD1-CD1 4.09Å; I129-I133 HydrophobicContact CD1-CG1 4.25Å; I129-I133 HydrophobicContact CG1-CD1 3.91Å; I129-I133 HydrophobicContact CG1-CG1 4.5Å; I129-I133 VanDerWaalsContact O-CG1 3.26Å; I129-I133 WeakPolarHBondContact O-CG1 3.47Å; I129-I133 PolarHBondContact O-N 3.49Å; V130-I133 PolarHBondContact O-N 3.22Å; I133-F135 PolarHBondContact O-N 3.45Å; I133-L137 WeakPolarHBondContact O-CB 3.36Å; I133-L137 PolarHBondContact O-N 3.41Å; I133-I148 HydrophobicContact CB-CD1 4.28Å; I133-I148 HydrophobicContact CB-CG1 4.32Å; I133-I148 HydrophobicContact CG1-CD1 3.86Å; I133-I148 HydrophobicContact CG1-CG1 4.29Å; I133-I148 HydrophobicContact CG2-CG1 4.17Å; I133-C151 HydrophobicContact CD1-CB 4.32Å; I133-C151 HydrophobicContact CG1-CB 4.41Å; I133-L152 HydrophobicContact CD1-CB 4.43Å; I133-L152 HydrophobicContact CG2-CB 4.17Å; I133-L152 HydrophobicContact CG2-CD1 4.45Å; I133-L152 HydrophobicContact CG2-CD2 4.5Å; I133-F177 HydrophobicContact CB-CE1 4.12Å; I133-F177 HydrophobicContact CB-CZ 3.76Å; I133-F177 HydrophobicContact CG2-CD1 4.24Å; I133-F177 HydrophobicContact CG2-CE1 3.63Å; I133-F177 HydrophobicContact CG2-CE2 4.12Å; I133-F177 HydrophobicContact CG2-CZ 3.54Å
134G86.8Confident82.7Confident10 Ų1059.3 Ų59.310%0.10334%0.343CS..Hα-helixtrans-59.3-48.3176.900000112.6V130 D131 K132 L137 Q138 M180V130-G134 PolarHBondContact O-N 3.31Å; D131-G134 PolarHBondContact O-N 3.4Å; K132-G134 VanDerWaalsContact C-N 3.33Å; G134-L137 PolarHBondContact O-N 3.47Å; G134-Q138 WeakPolarHBondContact O-CG 3.45Å; G134-Q138 PolarHBondContact O-N 2.95Å; G134-Q138 VanDerWaalsContact O-N 3.07Å; G134-M180 WeakPolarHBondContact O-CE 3.48Å
135F88.3Confident82.9Confident141 Ų14156.7 Ų56.762%0.61831%0.312SS*.Hα-helixtrans-59.5-51.3-179.8179-99.4000112.6D131 K132 I133 L137 Q138 S139D131-F135 WeakPolarHBondContact O-CB 3.17Å; D131-F135 PolarHBondContact O-N 3.12Å; K132-F135 PolarHBondContact O-N 3.43Å; I133-F135 PolarHBondContact O-N 3.45Å; F135-L137 PolarHBondContact O-N 3.08Å; F135-Q138 PolarHBondContact O-N 3.45Å; F135-S139 PolarHBondContact O-N 3.26Å
136Y85.3Confident83.2Confident49 Ų4952.4 Ų52.419%0.19229%0.294CS..Hα-helixtrans-70.8-30.7-178.1-78.8-66.9000112.8V96 E97 I100 K132 Q138 S139 I148V96-Y136 HydrophobicContact CG1-CD2 4.18Å; V96-Y136 HydrophobicContact CG1-CE2 4.47Å; E97-Y136 VanDerWaalsContact CD-OH 3.29Å; E97-Y136 HydrophobicContact CG-CE2 4.15Å; E97-Y136 WeakPolarHBondContact CG-OH 3.16Å; E97-Y136 PolarHBondContact OE1-OH 3.37Å; I100-Y136 HydrophobicContact CD1-CD1 3.78Å; I100-Y136 HydrophobicContact CD1-CD2 3.95Å; I100-Y136 HydrophobicContact CD1-CE1 4.15Å; I100-Y136 HydrophobicContact CD1-CE2 4.3Å; I100-Y136 HydrophobicContact CD1-CG 3.68Å; K132-Y136 WeakPolarHBondContact O-CD2 3.48Å; K132-Y136 PolarHBondContact O-N 3.15Å; K132-Y136 VanDerWaalsContact O-N 3.09Å; Y136-Q138 VanDerWaalsContact C-N 3.33Å; Y136-S139 WeakPolarHBondContact O-CB 3.37Å; Y136-S139 PolarHBondContact O-N 2.93Å; Y136-S139 PolarHBondContact O-OG 3.42Å; Y136-I148 HydrophobicContact CD2-CD1 4.5Å
137L84.8Confident83.4Confident2 Ų252 Ų521%0.0129%0.293CS..Hα-helixtrans-70.9-28.1174.7-16962.6000112.3I133 G134 F135 I148 L149 F177 M180 L181 R184I133-L137 WeakPolarHBondContact O-CB 3.36Å; I133-L137 PolarHBondContact O-N 3.41Å; G134-L137 PolarHBondContact O-N 3.47Å; F135-L137 PolarHBondContact O-N 3.08Å; L137-I148 HydrophobicContact CD1-CG2 4.21Å; L137-L149 HydrophobicContact CD1-CD2 4.12Å; L137-F177 HydrophobicContact CD2-CD1 4.47Å; L137-M180 HydrophobicContact CB-CE 3.8Å; L137-M180 HydrophobicContact CD2-CB 3.97Å; L137-M180 HydrophobicContact CD2-CE 3.92Å; L137-M180 HydrophobicContact CG-CE 3.94Å; L137-L181 HydrophobicContact CD2-CD2 4.01Å; L137-R184 HydrophobicContact CD1-CG 4.37Å; L137-R184 PolarHBondContact O-NE 2.78Å; L137-R184 PolarHBondContact O-NH2 2.95Å
138Q85.1Confident83.7Confident129 Ų12947.7 Ų47.760%0.60327%0.267SS*.Hα-helixtrans-79.4-16.9171.8-69-179.92.900113.8G134 F135 Y136 M180 R184G134-Q138 WeakPolarHBondContact O-CG 3.45Å; G134-Q138 PolarHBondContact O-N 2.95Å; G134-Q138 VanDerWaalsContact O-N 3.07Å; F135-Q138 PolarHBondContact O-N 3.45Å; Y136-Q138 VanDerWaalsContact C-N 3.33Å; Q138-M180 HydrophobicContact CG-CE 3.38Å; Q138-R184 VanDerWaalsContact CA-NH2 3.32Å; Q138-R184 PolarHBondContact O-NH2 3.23Å
139S84.2Confident84Confident34 Ų3446 Ų4624%0.23825%0.252CS..SBendtrans-67.6146.5177.379.40000112.2F135 Y136 N141 W145 R184F135-S139 PolarHBondContact O-N 3.26Å; Y136-S139 WeakPolarHBondContact O-CB 3.37Å; Y136-S139 PolarHBondContact O-N 2.93Å; Y136-S139 PolarHBondContact O-OG 3.42Å; S139-N141 PolarHBondContact O-N 3.34Å; S139-W145 PolarHBondContact O-NE1 3.34Å; S139-R184 PolarHBondContact O-NH2 3.48Å; S139-R184 VanDerWaalsContact O-NH2 3.11Å
140D74.8Confident84.1Confident138 Ų13847.5 Ų47.574%0.73826%0.26SS*.SBendtrans-78.38.3177.9-68.3-35.2000113.6S142D140-S142 PolarHBondContact O-N 3.01Å; D140-S142 VanDerWaalsContact O-N 3.17Å
141N76.4Confident84.3Confident80 Ų8046.7 Ų46.743%0.42826%0.255SS..  trans-83.592-178.5-174.99.3000111.4S139 A143 G144 W145S139-N141 PolarHBondContact O-N 3.34Å; N141-A143 PolarHBondContact O-N 3.44Å; N141-A143 PolarHBondContact OD1-N 2.95Å; N141-G144 PolarHBondContact O-N 3.26Å; N141-G144 VanDerWaalsContact O-N 3.11Å; N141-W145 VanDerWaalsContact O-CD1 3.27Å; N141-W145 PolarHBondContact O-NE1 2.98Å
142S71.4Confident84.5Confident78 Ų7841 Ų4155%0.54522%0.224SC..Hα-helixtrans-56.5-31.7179.2580000114.1D140 G144 W145D140-S142 PolarHBondContact O-N 3.01Å; D140-S142 VanDerWaalsContact O-N 3.17Å; S142-G144 PolarHBondContact O-N 2.83Å; S142-W145 PolarHBondContact O-N 3.09Å
143A73.1Confident84.8Confident72 Ų7240.3 Ų40.360%0.59522%0.221SC*.Hα-helixtrans-66.5-26.1-179.600000113N141N141-A143 PolarHBondContact O-N 3.44Å; N141-A143 PolarHBondContact OD1-N 2.95Å
144G80.3Confident84.9Confident6 Ų641.3 Ų41.36%0.06223%0.226CC..Hα-helixtrans-91.5-12.1-179.800000115.2N141 S142 L146 G147 I148N141-G144 PolarHBondContact O-N 3.26Å; N141-G144 VanDerWaalsContact O-N 3.11Å; S142-G144 PolarHBondContact O-N 2.83Å; G144-L146 PolarHBondContact O-N 3.09Å; G144-G147 PolarHBondContact O-N 3.33Å; G144-I148 PolarHBondContact O-N 3.4Å; G144-I148 VanDerWaalsContact O-N 3.09Å
145W85Confident85.1Confident13 Ų1340.9 Ų40.95%0.04922%0.221CC..Hα-helixtrans-64.1-38.2-173.9-67.9-13.8000113.1S139 N141 S142 G147 I148 L149 L188 V199S139-W145 PolarHBondContact O-NE1 3.34Å; N141-W145 VanDerWaalsContact O-CD1 3.27Å; N141-W145 PolarHBondContact O-NE1 2.98Å; S142-W145 PolarHBondContact O-N 3.09Å; W145-G147 PolarHBondContact O-N 3.42Å; W145-I148 WeakPolarHBondContact O-CG2 3.39Å; W145-I148 PolarHBondContact O-N 3.39Å; W145-L149 WeakPolarHBondContact O-CB 3.37Å; W145-L149 WeakPolarHBondContact O-CG 3.4Å; W145-L149 PolarHBondContact O-N 2.91Å; W145-L188 HydrophobicContact CE3-CD1 4.16Å; W145-L188 HydrophobicContact CE3-CD2 4.19Å; W145-L188 HydrophobicContact CE3-CG 4.5Å; W145-L188 HydrophobicContact CZ3-CD1 4.24Å; W145-L188 HydrophobicContact CZ3-CD2 3.68Å; W145-L188 HydrophobicContact CZ3-CG 4.09Å; W145-V199 HydrophobicContact CB-CG1 4.3Å; W145-V199 HydrophobicContact CB-CG2 4.41Å
146L85.6Confident85.2Confident28 Ų2834.1 Ų34.115%0.14719%0.191CC..Hα-helixtrans-64.5-43.2176.8-177.860.5000111.6G144 L149 L150 L198 V199 Q202G144-L146 PolarHBondContact O-N 3.09Å; L146-L149 PolarHBondContact O-N 3.28Å; L146-L150 HydrophobicContact CG-CD1 4.43Å; L146-L150 VanDerWaalsContact O-CG 3.31Å; L146-L150 WeakPolarHBondContact O-CG 3.16Å; L146-L150 PolarHBondContact O-N 2.72Å; L146-L198 HydrophobicContact CD1-CG 4.17Å; L146-L198 HydrophobicContact CD2-CD2 3.51Å; L146-L198 HydrophobicContact CD2-CG 3.99Å; L146-V199 HydrophobicContact CB-CG2 4.21Å; L146-Q202 HydrophobicContact CD1-CB 4.05Å; L146-Q202 HydrophobicContact CD1-CG 4.23Å
147G85.2Confident85.3Confident1 Ų135.8 Ų35.81%0.0120%0.2CC..Hα-helixtrans-61-45.4178.200000112.3I99 G144 W145 L150 C151I99-G147 WeakPolarHBondContact CG2-O 3.44Å; G144-G147 PolarHBondContact O-N 3.33Å; W145-G147 PolarHBondContact O-N 3.42Å; G147-L150 WeakPolarHBondContact O-CB 3.13Å; G147-L150 PolarHBondContact O-N 3.12Å; G147-C151 PolarHBondContact O-N 3.21Å; G147-C151 PolarHBondContact O-SG 3.03Å
148I90.1Very high85.5Confident1 Ų136.7 Ų36.71%0.00521%0.205CC..Hα-helixtrans-70.3-35.1-179.3-159.661.1000112.9V96 I100 I133 Y136 L137 G144 W145 L150 C151 L152V96-I148 HydrophobicContact CG1-CD1 3.4Å; V96-I148 VanDerWaalsContact CG1-CD1 3.4Å; I100-I148 HydrophobicContact CD1-CD1 4.42Å; I133-I148 HydrophobicContact CB-CD1 4.28Å; I133-I148 HydrophobicContact CB-CG1 4.32Å; I133-I148 HydrophobicContact CG1-CD1 3.86Å; I133-I148 HydrophobicContact CG1-CG1 4.29Å; I133-I148 HydrophobicContact CG2-CG1 4.17Å; Y136-I148 HydrophobicContact CD2-CD1 4.5Å; L137-I148 HydrophobicContact CD1-CG2 4.21Å; G144-I148 PolarHBondContact O-N 3.4Å; G144-I148 VanDerWaalsContact O-N 3.09Å; W145-I148 WeakPolarHBondContact O-CG2 3.39Å; W145-I148 PolarHBondContact O-N 3.39Å; I148-L150 VanDerWaalsContact C-N 3.3Å; I148-L150 PolarHBondContact O-N 3.29Å; I148-C151 HydrophobicContact CD1-CB 4.49Å; I148-C151 WeakPolarHBondContact O-CB 3.24Å; I148-C151 PolarHBondContact O-N 3.37Å; I148-L152 PolarHBondContact O-N 3.14Å
149L90.7Very high85.5Confident2 Ų230.8 Ų30.81%0.0118%0.177CC..Hα-helixtrans-68.7-29174.8-70.2172.7000112.4L137 W145 L146 L152 Y153 L181 V199 Q202 I203 I206L137-L149 HydrophobicContact CD1-CD2 4.12Å; W145-L149 WeakPolarHBondContact O-CB 3.37Å; W145-L149 WeakPolarHBondContact O-CG 3.4Å; W145-L149 PolarHBondContact O-N 2.91Å; L146-L149 PolarHBondContact O-N 3.28Å; L149-L152 PolarHBondContact O-N 2.82Å; L149-Y153 VanDerWaalsContact O-CB 3.3Å; L149-Y153 WeakPolarHBondContact O-CB 3.45Å; L149-Y153 PolarHBondContact O-N 2.87Å; L149-L181 HydrophobicContact CD2-CD2 3.32Å; L149-V199 HydrophobicContact CD1-CG1 3.59Å; L149-Q202 HydrophobicContact CB-CB 4.43Å; L149-Q202 HydrophobicContact CB-CG 3.67Å; L149-Q202 HydrophobicContact CD1-CB 4.38Å; L149-Q202 HydrophobicContact CD1-CG 4.47Å; L149-I203 HydrophobicContact CD1-CD1 4.35Å; L149-I203 HydrophobicContact CD1-CG1 3.69Å; L149-I203 HydrophobicContact CD2-CG1 4.11Å; L149-I206 HydrophobicContact CB-CD1 4.07Å; L149-I206 HydrophobicContact CD2-CD1 3.78Å; L149-I206 WeakPolarHBondContact O-CD1 3.49Å
150L89.7Confident85.4Confident32 Ų3229.8 Ų29.817%0.16817%0.168CC..Hα-helixtrans-65.9-40.3171.1-71.4167.2000111.3R107 T111 L146 G147 I148 Y153 Q154R107-L150 HydrophobicContact CG-CD1 4.05Å; T111-L150 HydrophobicContact CG2-CB 4.34Å; L146-L150 HydrophobicContact CG-CD1 4.43Å; L146-L150 VanDerWaalsContact O-CG 3.31Å; L146-L150 WeakPolarHBondContact O-CG 3.16Å; L146-L150 PolarHBondContact O-N 2.72Å; G147-L150 WeakPolarHBondContact O-CB 3.13Å; G147-L150 PolarHBondContact O-N 3.12Å; I148-L150 VanDerWaalsContact C-N 3.3Å; I148-L150 PolarHBondContact O-N 3.29Å; L150-Y153 PolarHBondContact O-N 3.3Å; L150-Q154 WeakPolarHBondContact O-CG 3.46Å; L150-Q154 PolarHBondContact O-N 2.67Å
151C90.9Very high85.6Confident0 Ų031.1 Ų31.10%016%0.164CC..Hα-helixtrans-60.7-47.6172.6-60.10000111.5I99 I114 I133 G147 I148 Y153 Q154 L155I99-C151 WeakPolarHBondContact CD1-SG 3.28Å; I114-C151 HydrophobicContact CD1-CB 4Å; I133-C151 HydrophobicContact CD1-CB 4.32Å; I133-C151 HydrophobicContact CG1-CB 4.41Å; G147-C151 PolarHBondContact O-N 3.21Å; G147-C151 PolarHBondContact O-SG 3.03Å; I148-C151 HydrophobicContact CD1-CB 4.49Å; I148-C151 WeakPolarHBondContact O-CB 3.24Å; I148-C151 PolarHBondContact O-N 3.37Å; C151-Y153 VanDerWaalsContact C-N 3.3Å; C151-Y153 PolarHBondContact O-N 2.91Å; C151-Q154 PolarHBondContact O-N 3.2Å; C151-L155 PolarHBondContact O-N 2.8Å; C151-L155 VanDerWaalsContact O-N 3.13Å
152L92.2Very high85.9Confident0 Ų031 Ų310%016%0.16CC..Hα-helixtrans-61.4-39.3176.8-179.257.2000111.7I133 I148 L149 Q154 L155 V156 M174 F177 L181 I206I133-L152 HydrophobicContact CD1-CB 4.43Å; I133-L152 HydrophobicContact CG2-CB 4.17Å; I133-L152 HydrophobicContact CG2-CD1 4.45Å; I133-L152 HydrophobicContact CG2-CD2 4.5Å; I148-L152 PolarHBondContact O-N 3.14Å; L149-L152 PolarHBondContact O-N 2.82Å; L152-Q154 VanDerWaalsContact C-N 3.34Å; L152-Q154 PolarHBondContact O-N 3.49Å; L152-L155 HydrophobicContact CD1-CD2 4.18Å; L152-L155 WeakPolarHBondContact O-CB 3.27Å; L152-L155 PolarHBondContact O-N 2.86Å; L152-L155 VanDerWaalsContact O-N 3.17Å; L152-V156 WeakPolarHBondContact O-CG2 3.45Å; L152-V156 PolarHBondContact O-N 2.9Å; L152-M174 HydrophobicContact CD1-SD 4.21Å; L152-F177 HydrophobicContact CD1-CD2 3.55Å; L152-F177 HydrophobicContact CD1-CE2 3.83Å; L152-F177 HydrophobicContact CD1-CG 4.29Å; L152-F177 HydrophobicContact CD2-CB 4.17Å; L152-F177 HydrophobicContact CD2-CD2 4.29Å; L152-F177 HydrophobicContact CD2-CG 4.2Å; L152-L181 HydrophobicContact CD2-CD1 4.09Å; L152-L181 HydrophobicContact CD2-CD2 4.09Å; L152-L181 HydrophobicContact CD2-CG 4.43Å; L152-I206 HydrophobicContact CB-CD1 4.21Å; L152-I206 HydrophobicContact CD2-CD1 4.09Å; L152-I206 HydrophobicContact CD2-CG2 4.35Å; L152-I206 HydrophobicContact CG-CD1 4.13Å; L152-I206 HydrophobicContact CG-CG2 4.23Å
153Y92.3Very high86.2Confident30 Ų3034 Ų3412%0.11816%0.163CC..Hα-helixtrans-61.5-40.7175.8178.4-113.6000112.6L149 L150 C151 L155 V156 K157 K205 I206 A209L149-Y153 VanDerWaalsContact O-CB 3.3Å; L149-Y153 WeakPolarHBondContact O-CB 3.45Å; L149-Y153 PolarHBondContact O-N 2.87Å; L150-Y153 PolarHBondContact O-N 3.3Å; C151-Y153 VanDerWaalsContact C-N 3.3Å; C151-Y153 PolarHBondContact O-N 2.91Å; Y153-L155 VanDerWaalsContact C-N 3.29Å; Y153-L155 PolarHBondContact O-N 3.4Å; Y153-V156 PolarHBondContact O-N 2.98Å; Y153-K157 HydrophobicContact CE1-CD 4.26Å; Y153-K157 VanDerWaalsContact O-CB 3.23Å; Y153-K157 WeakPolarHBondContact O-CB 3.34Å; Y153-K157 PolarHBondContact O-N 3.05Å; Y153-K205 HydrophobicContact CD2-CB 4.33Å; Y153-K205 HydrophobicContact CE2-CB 4.17Å; Y153-I206 HydrophobicContact CD2-CG1 4.07Å; Y153-I206 HydrophobicContact CG-CG1 4.4Å; Y153-A209 HydrophobicContact CE2-CB 4.04Å
154Q91.1Very high86.3Confident22 Ų2234.3 Ų34.310%0.10316%0.159CC..Hα-helixtrans-65.7-34.1175.1-61.8-48.1-37.300112.6T111 I114 H115 I118 L150 C151 L152 K157 N158T111-Q154 HydrophobicContact CG2-CG 3.46Å; T111-Q154 VanDerWaalsContact CG2-CG 3.46Å; I114-Q154 HydrophobicContact CG2-CB 4.28Å; I114-Q154 HydrophobicContact CG2-CG 4.06Å; H115-Q154 HydrophobicContact CB-CB 4.14Å; H115-Q154 HydrophobicContact CB-CG 4.07Å; H115-Q154 PolarHBondContact ND1-OE1 2.83Å; H115-Q154 VanDerWaalsContact ND1-OE1 3.07Å; I118-Q154 HydrophobicContact CD1-CB 4.15Å; L150-Q154 WeakPolarHBondContact O-CG 3.46Å; L150-Q154 PolarHBondContact O-N 2.67Å; C151-Q154 PolarHBondContact O-N 3.2Å; L152-Q154 VanDerWaalsContact C-N 3.34Å; L152-Q154 PolarHBondContact O-N 3.49Å; Q154-K157 PolarHBondContact O-N 3.46Å; Q154-N158 PolarHBondContact O-N 2.98Å
155L90.4Very high86.1Confident0 Ų040.6 Ų40.60%019%0.191CC..Hα-helixtrans-60.5-50.1172.8-175.367.3000111.1I118 Y122 C151 L152 Y153 Y159 A173I118-L155 HydrophobicContact CD1-CB 4.18Å; I118-L155 HydrophobicContact CD1-CD1 4.45Å; I118-L155 HydrophobicContact CG2-CD1 3.77Å; Y122-L155 HydrophobicContact CD1-CD1 3.55Å; Y122-L155 HydrophobicContact CD2-CD1 4.31Å; Y122-L155 HydrophobicContact CE1-CD1 3.63Å; Y122-L155 HydrophobicContact CE2-CD1 4.39Å; Y122-L155 HydrophobicContact CG-CD1 3.91Å; C151-L155 PolarHBondContact O-N 2.8Å; C151-L155 VanDerWaalsContact O-N 3.13Å; L152-L155 HydrophobicContact CD1-CD2 4.18Å; L152-L155 WeakPolarHBondContact O-CB 3.27Å; L152-L155 PolarHBondContact O-N 2.86Å; L152-L155 VanDerWaalsContact O-N 3.17Å; Y153-L155 VanDerWaalsContact C-N 3.29Å; Y153-L155 PolarHBondContact O-N 3.4Å; L155-Y159 WeakPolarHBondContact O-CD2 3.28Å; L155-A173 HydrophobicContact CD2-CB 4.39Å
156V89.9Confident85.9Confident0 Ų044.8 Ų44.80%021%0.211CC..Hα-helixtrans-64.8-44.4178.1-176.10000111.2L152 Y153 N158 Y159 E160 L170 M174 I206 A209 L210L152-V156 WeakPolarHBondContact O-CG2 3.45Å; L152-V156 PolarHBondContact O-N 2.9Å; Y153-V156 PolarHBondContact O-N 2.98Å; V156-N158 VanDerWaalsContact C-N 3.29Å; V156-N158 PolarHBondContact O-N 3.06Å; V156-Y159 PolarHBondContact O-N 3.28Å; V156-Y159 VanDerWaalsContact O-N 3.07Å; V156-E160 PolarHBondContact O-N 2.73Å; V156-L170 HydrophobicContact CB-CD1 4.37Å; V156-L170 HydrophobicContact CG1-CD2 4.28Å; V156-L170 HydrophobicContact CG2-CD1 3.97Å; V156-M174 HydrophobicContact CG2-SD 3.97Å; V156-I206 HydrophobicContact CG2-CG2 3.76Å; V156-A209 HydrophobicContact CG1-CB 3.89Å; V156-L210 HydrophobicContact CG1-CB 4.09Å
157K88.5Confident85.9Confident84 Ų8443.9 Ų43.937%0.36521%0.206SC..Hα-helixtrans-59.5-36.8-178.2-165.2-179.4-177.1-172.30112.8Y153 Q154 Y159 E160Y153-K157 HydrophobicContact CE1-CD 4.26Å; Y153-K157 VanDerWaalsContact O-CB 3.23Å; Y153-K157 WeakPolarHBondContact O-CB 3.34Å; Y153-K157 PolarHBondContact O-N 3.05Å; Q154-K157 PolarHBondContact O-N 3.46Å; K157-Y159 PolarHBondContact O-N 3.43Å; K157-E160 WeakPolarHBondContact CG-OE2 3.32Å; K157-E160 WeakPolarHBondContact O-CB 3.46Å; K157-E160 PolarHBondContact O-N 2.86Å; K157-E160 VanDerWaalsContact O-N 3.08Å
158N88.3Confident85.9Confident21 Ų2147.6 Ų47.611%0.11223%0.231CC..Hα-helixtrans-60.4-28.8177.6-176.761.7000113.4I118 K119 Q154 V156I118-N158 HydrophobicContact CG2-CB 3.95Å; K119-N158 VanDerWaalsContact CA-OD1 3.27Å; K119-N158 WeakPolarHBondContact CA-OD1 3.32Å; K119-N158 VanDerWaalsContact CB-OD1 3.32Å; K119-N158 WeakPolarHBondContact CB-OD1 2.95Å; K119-N158 WeakPolarHBondContact CG-OD1 3.48Å; Q154-N158 PolarHBondContact O-N 2.98Å; V156-N158 VanDerWaalsContact C-N 3.29Å; V156-N158 PolarHBondContact O-N 3.06Å
159Y85.5Confident85.7Confident5 Ų549.1 Ų49.12%0.0224%0.242CC..THydrogen-bonded Turntrans-100.11.9178.4-69.2-92.1000112.9Y122 P123 L155 V156 K157 Y161 K162 E166 R167 L170Y122-Y159 AromaticContact CD1-CE2 3.68Å; Y122-Y159 HydrophobicContact CD1-CE2 3.68Å; Y122-Y159 AromaticContact CD1-CZ 3.85Å; Y122-Y159 WeakPolarHBondContact CD1-OH 3.39Å; Y122-Y159 AromaticContact CE1-CE2 3.74Å; Y122-Y159 HydrophobicContact CE1-CE2 3.74Å; Y122-Y159 AromaticContact CE1-CZ 3.89Å; Y122-Y159 WeakPolarHBondContact CE1-OH 3.42Å; Y122-Y159 PolarHBondContact O-OH 3.2Å; P123-Y159 WeakPolarHBondContact CD-OH 2.81Å; L155-Y159 WeakPolarHBondContact O-CD2 3.28Å; V156-Y159 PolarHBondContact O-N 3.28Å; V156-Y159 VanDerWaalsContact O-N 3.07Å; K157-Y159 PolarHBondContact O-N 3.43Å; Y159-Y161 VanDerWaalsContact C-N 3.29Å; Y159-Y161 PolarHBondContact O-N 3.01Å; Y159-K162 HydrophobicContact CD1-CB 4.44Å; Y159-K162 HydrophobicContact CD1-CD 3.41Å; Y159-K162 VanDerWaalsContact CD1-CD 3.41Å; Y159-K162 HydrophobicContact CD1-CG 4.46Å; Y159-K162 HydrophobicContact CE1-CD 3.82Å; Y159-K162 HydrophobicContact CG-CD 4.09Å; Y159-K162 PolarHBondContact O-N 2.98Å; Y159-K162 VanDerWaalsContact O-N 3.16Å; Y159-E166 VanDerWaalsContact CE1-O 3.31Å; Y159-E166 WeakPolarHBondContact CE1-O 3.46Å; Y159-R167 PolarHBondContact O-NE 3.48Å; Y159-R167 PolarHBondContact O-NH1 3.37Å; Y159-R167 PolarHBondContact O-NH2 2.97Å; Y159-R167 VanDerWaalsContact O-NH2 3.13Å; Y159-L170 HydrophobicContact CD1-CB 4.39Å; Y159-L170 HydrophobicContact CD2-CB 4.06Å; Y159-L170 HydrophobicContact CG-CB 3.99Å; Y159-L170 HydrophobicContact CG-CD2 4.29Å
160E81.3Confident85.5Confident13 Ų1349.1 Ų49.16%0.06124%0.241CC..THydrogen-bonded Turntrans-55.3-43.4-173.4-176176171.500112.4V156 K157 R167 Q212 Y213V156-E160 PolarHBondContact O-N 2.73Å; K157-E160 WeakPolarHBondContact CG-OE2 3.32Å; K157-E160 WeakPolarHBondContact O-CB 3.46Å; K157-E160 PolarHBondContact O-N 2.86Å; K157-E160 VanDerWaalsContact O-N 3.08Å; E160-R167 PolarHBondContact O-NH1 2.9Å; E160-R167 PolarHBondContact O-NH2 2.73Å; E160-R167 VanDerWaalsContact O-NH2 3.12Å; E160-Q212 PolarHBondContact OE1-OE1 3.05Å; E160-Y213 HydrophobicContact CG-CD2 3.68Å; E160-Y213 HydrophobicContact CG-CE2 3.67Å; E160-Y213 WeakPolarHBondContact O-CD2 3.42Å
161Y80.9Confident85.4Confident165 Ų16548.4 Ų48.465%0.64724%0.239SC*.THydrogen-bonded Turntrans-101.13.4-178.4-58.8-83.4000114Y159 Y213Y159-Y161 VanDerWaalsContact C-N 3.29Å; Y159-Y161 PolarHBondContact O-N 3.01Å; Y161-Y213 HydrophobicContact CD1-CE2 4.02Å; Y161-Y213 HydrophobicContact CE1-CD2 4.47Å; Y161-Y213 AromaticContact CE1-CE2 3.54Å; Y161-Y213 HydrophobicContact CE1-CE2 3.54Å; Y161-Y213 AromaticContact CE1-CZ 3.57Å; Y161-Y213 WeakPolarHBondContact CE1-OH 3.23Å; Y161-Y213 AromaticContact CZ-CE2 3.9Å
162K82.1Confident85.2Confident77 Ų7750.9 Ų50.934%0.33526%0.259SS..SBendtrans-77.1145.3179.5-77.1-178.9162.5-97.30111.4Y159 E166 R167Y159-K162 HydrophobicContact CD1-CB 4.44Å; Y159-K162 HydrophobicContact CD1-CD 3.41Å; Y159-K162 VanDerWaalsContact CD1-CD 3.41Å; Y159-K162 HydrophobicContact CD1-CG 4.46Å; Y159-K162 HydrophobicContact CE1-CD 3.82Å; Y159-K162 HydrophobicContact CG-CD 4.09Å; Y159-K162 PolarHBondContact O-N 2.98Å; Y159-K162 VanDerWaalsContact O-N 3.16Å; K162-E166 HydrophobicContact CB-CB 4.26Å; K162-E166 HydrophobicContact CD-CB 4.42Å; K162-E166 IonicContact NZ-OE2 3.86Å; K162-E166 PolarHBondContact NZ-OE2 2.94Å; K162-R167 HydrophobicContact CB-CG 4.3Å; K162-R167 WeakPolarHBondContact O-CD 3.25Å; K162-R167 PolarHBondContact O-NH1 3.2Å
163K78.3Confident85Confident142 Ų14251.1 Ų51.162%0.61726%0.261SS*.  trans-57.2150.7174.3-67.2-170.3-179.4-171.30110.9D165 E166 R167K163-D165 VanDerWaalsContact C-N 3.28Å; K163-D165 PolarHBondContact O-N 2.96Å; K163-E166 PolarHBondContact O-N 3.41Å; K163-E166 VanDerWaalsContact O-N 3.13Å; K163-R167 WeakPolarHBondContact O-CG 3.48Å
164P74.6Confident84.9Confident78 Ų7849.7 Ų49.751%0.50626%0.255SS..G310 helixtrans-50.8-41.7-174.6-28.335.5000114.6E166 R167P164-E166 VanDerWaalsContact C-N 3.31Å; P164-E166 PolarHBondContact O-N 3.1Å; P164-R167 WeakPolarHBondContact O-CB 3.42Å; P164-R167 PolarHBondContact O-N 2.82Å
165D76Confident84.8Confident138 Ų13853.6 Ų53.674%0.73827%0.273SS*.G310 helixtrans-61.7-38.3-177.6-58.5-35.8000112.9K163 R167 S168K163-D165 VanDerWaalsContact C-N 3.28Å; K163-D165 PolarHBondContact O-N 2.96Å; D165-R167 PolarHBondContact O-N 2.74Å; D165-S168 PolarHBondContact O-OG 3.41Å
166E81.3Confident84.7Confident101 Ų10158.2 Ų58.247%0.47230%0.297SS..G310 helixtrans-75-12.2178.5-64.5-170-176.200113.4Y159 K162 K163 P164 S168 P169Y159-E166 VanDerWaalsContact CE1-O 3.31Å; Y159-E166 WeakPolarHBondContact CE1-O 3.46Å; K162-E166 HydrophobicContact CB-CB 4.26Å; K162-E166 HydrophobicContact CD-CB 4.42Å; K162-E166 IonicContact NZ-OE2 3.86Å; K162-E166 PolarHBondContact NZ-OE2 2.94Å; K163-E166 PolarHBondContact O-N 3.41Å; K163-E166 VanDerWaalsContact O-N 3.13Å; P164-E166 VanDerWaalsContact C-N 3.31Å; P164-E166 PolarHBondContact O-N 3.1Å; E166-S168 VanDerWaalsContact C-N 3.34Å; E166-P169 VanDerWaalsContact O-CD 3.29Å; E166-P169 WeakPolarHBondContact O-CD 3.12Å
167R83.9Confident84.7Confident10 Ų1058.2 Ų58.24%0.03830%0.297CS..G310 helixtrans-85.2-5.8-178.4-60.7174.399.3113-2.7113.2Y159 E160 K162 K163 P164 D165 P169 L170 V171Y159-R167 PolarHBondContact O-NE 3.48Å; Y159-R167 PolarHBondContact O-NH1 3.37Å; Y159-R167 PolarHBondContact O-NH2 2.97Å; Y159-R167 VanDerWaalsContact O-NH2 3.13Å; E160-R167 PolarHBondContact O-NH1 2.9Å; E160-R167 PolarHBondContact O-NH2 2.73Å; E160-R167 VanDerWaalsContact O-NH2 3.12Å; K162-R167 HydrophobicContact CB-CG 4.3Å; K162-R167 WeakPolarHBondContact O-CD 3.25Å; K162-R167 PolarHBondContact O-NH1 3.2Å; K163-R167 WeakPolarHBondContact O-CG 3.48Å; P164-R167 WeakPolarHBondContact O-CB 3.42Å; P164-R167 PolarHBondContact O-N 2.82Å; D165-R167 PolarHBondContact O-N 2.74Å; R167-P169 VanDerWaalsContact C-N 3.3Å; R167-P169 VanDerWaalsContact O-N 3.14Å; R167-L170 WeakPolarHBondContact O-CA 3.36Å; R167-L170 WeakPolarHBondContact O-CB 3.32Å; R167-L170 PolarHBondContact O-N 3.33Å; R167-V171 PolarHBondContact O-N 3.12Å
168S85.3Confident84.7Confident78 Ų7854.6 Ų54.655%0.54528%0.282SS..Hα-helixtrans-45.4-44.1178-57.90000114.3D165 E166 L170 V171 A172D165-S168 PolarHBondContact O-OG 3.41Å; E166-S168 VanDerWaalsContact C-N 3.34Å; S168-L170 PolarHBondContact O-N 2.84Å; S168-V171 PolarHBondContact O-N 3.16Å; S168-A172 PolarHBondContact O-N 3.13Å; S168-A172 VanDerWaalsContact O-N 3.13Å
169P86Confident84.7Confident34 Ų3456.1 Ų56.122%0.22129%0.293CS..Hα-helixtrans-65.4-38.3177.3-18.732.5000113.4Y122 P123 E166 R167 A172 A173Y122-P169 HydrophobicContact CE1-CB 4.01Å; Y122-P169 PolarHBondContact OH-O 2.85Å; Y122-P169 VanDerWaalsContact OH-O 3.14Å; P123-P169 HydrophobicContact CB-CB 3.82Å; P123-P169 HydrophobicContact CB-CG 4.18Å; P123-P169 HydrophobicContact CG-CB 3.95Å; P123-P169 HydrophobicContact CG-CG 3.74Å; E166-P169 VanDerWaalsContact O-CD 3.29Å; E166-P169 WeakPolarHBondContact O-CD 3.12Å; R167-P169 VanDerWaalsContact C-N 3.3Å; R167-P169 VanDerWaalsContact O-N 3.14Å; P169-A172 PolarHBondContact O-N 3.14Å; P169-A173 PolarHBondContact O-N 3.41Å; P169-A173 VanDerWaalsContact O-N 3.15Å
170L87.7Confident84.8Confident1 Ų157.1 Ų57.11%0.00530%0.298CS..Hα-helixtrans-65.2-44.5176.2171.965.8000110.7V156 Y159 R167 S168 A172 A173 M174 L210V156-L170 HydrophobicContact CB-CD1 4.37Å; V156-L170 HydrophobicContact CG1-CD2 4.28Å; V156-L170 HydrophobicContact CG2-CD1 3.97Å; Y159-L170 HydrophobicContact CD1-CB 4.39Å; Y159-L170 HydrophobicContact CD2-CB 4.06Å; Y159-L170 HydrophobicContact CG-CB 3.99Å; Y159-L170 HydrophobicContact CG-CD2 4.29Å; R167-L170 WeakPolarHBondContact O-CA 3.36Å; R167-L170 WeakPolarHBondContact O-CB 3.32Å; R167-L170 PolarHBondContact O-N 3.33Å; S168-L170 PolarHBondContact O-N 2.84Å; L170-A172 VanDerWaalsContact C-N 3.32Å; L170-A172 PolarHBondContact O-N 3.4Å; L170-A173 PolarHBondContact O-N 3.15Å; L170-M174 HydrophobicContact CD1-CG 3.85Å; L170-M174 HydrophobicContact CD1-SD 4.49Å; L170-M174 HydrophobicContact CG-CG 4.27Å; L170-M174 WeakPolarHBondContact O-CG 3Å; L170-M174 PolarHBondContact O-N 3.43Å; L170-L210 HydrophobicContact CD2-CD1 3.96Å; L170-L210 HydrophobicContact CG-CD1 4.38Å
171V86.8Confident85.3Confident18 Ų1856.5 Ų56.511%0.10930%0.295CS..Hα-helixtrans-58.4-46.6178.7175.90000110.2R167 S168 A173 M174 Q175 P216 E218 L219R167-V171 PolarHBondContact O-N 3.12Å; S168-V171 PolarHBondContact O-N 3.16Å; V171-A173 VanDerWaalsContact C-N 3.34Å; V171-A173 PolarHBondContact O-N 2.85Å; V171-M174 PolarHBondContact O-N 2.93Å; V171-Q175 WeakPolarHBondContact O-CG 3.3Å; V171-Q175 PolarHBondContact O-N 2.95Å; V171-P216 HydrophobicContact CG2-CB 4.05Å; V171-P216 HydrophobicContact CG2-CG 4.36Å; V171-E218 HydrophobicContact CG1-CB 4.36Å; V171-L219 HydrophobicContact CG1-CD1 4.47Å; V171-L219 HydrophobicContact CG1-CD2 4.1Å; V171-L219 HydrophobicContact CG1-CG 4.11Å
172A87.2Confident85.7Confident52 Ų5250 Ų5043%0.4327%0.27SS..Hα-helixtrans-59.1-41.2176.400000113.1S168 P169 L170S168-A172 PolarHBondContact O-N 3.13Å; S168-A172 VanDerWaalsContact O-N 3.13Å; P169-A172 PolarHBondContact O-N 3.14Å; L170-A172 VanDerWaalsContact C-N 3.32Å; L170-A172 PolarHBondContact O-N 3.4Å
173A88.2Confident86Confident4 Ų450.9 Ų50.93%0.03328%0.278CS..Hα-helixtrans-66.6-43175.600000112V130 L155 P169 L170 V171 Q175 I176 F177V130-A173 HydrophobicContact CG1-CB 4.39Å; V130-A173 HydrophobicContact CG2-CB 4.21Å; L155-A173 HydrophobicContact CD2-CB 4.39Å; P169-A173 PolarHBondContact O-N 3.41Å; P169-A173 VanDerWaalsContact O-N 3.15Å; L170-A173 PolarHBondContact O-N 3.15Å; V171-A173 VanDerWaalsContact C-N 3.34Å; V171-A173 PolarHBondContact O-N 2.85Å; A173-Q175 VanDerWaalsContact C-N 3.31Å; A173-Q175 PolarHBondContact O-N 3.04Å; A173-I176 PolarHBondContact O-N 3.16Å; A173-I176 VanDerWaalsContact O-N 3.15Å; A173-F177 HydrophobicContact CB-CD2 4.39Å; A173-F177 HydrophobicContact CB-CE2 4.17Å; A173-F177 VanDerWaalsContact O-CD2 3.22Å; A173-F177 WeakPolarHBondContact O-CD2 3.43Å; A173-F177 PolarHBondContact O-N 3.35Å
174M89.9Confident86.4Confident0 Ų045.6 Ų45.60%025%0.254CS..Hα-helixtrans-70.1-23.8-179.4-69-53.5-59.800113.3L152 V156 L170 V171 I176 F177 M178 L181 I206 L210 L219L152-M174 HydrophobicContact CD1-SD 4.21Å; V156-M174 HydrophobicContact CG2-SD 3.97Å; L170-M174 HydrophobicContact CD1-CG 3.85Å; L170-M174 HydrophobicContact CD1-SD 4.49Å; L170-M174 HydrophobicContact CG-CG 4.27Å; L170-M174 WeakPolarHBondContact O-CG 3Å; L170-M174 PolarHBondContact O-N 3.43Å; V171-M174 PolarHBondContact O-N 2.93Å; M174-I176 PolarHBondContact O-N 3.41Å; M174-F177 HydrophobicContact CE-CB 4.43Å; M174-F177 PolarHBondContact O-N 3.37Å; M174-F177 HydrophobicContact SD-CB 4.37Å; M174-F177 HydrophobicContact SD-CD2 4.41Å; M174-M178 HydrophobicContact CB-CG 4.35Å; M174-M178 HydrophobicContact CE-CG 3.97Å; M174-M178 HydrophobicContact CE-SD 3.95Å; M174-M178 VanDerWaalsContact O-CB 3.23Å; M174-M178 WeakPolarHBondContact O-CB 3.16Å; M174-M178 WeakPolarHBondContact O-CG 3.26Å; M174-M178 PolarHBondContact O-N 3.35Å; M174-L181 HydrophobicContact CE-CD1 4.03Å; M174-I206 HydrophobicContact CE-CG2 4.26Å; M174-L210 HydrophobicContact CB-CD2 4.42Å; M174-L210 HydrophobicContact CE-CD2 4.06Å; M174-L210 HydrophobicContact CG-CD1 4.11Å; M174-L210 HydrophobicContact CG-CD2 4.19Å; M174-L219 HydrophobicContact CB-CD1 3.72Å; M174-L219 HydrophobicContact CB-CD2 4.33Å
175Q88.4Confident87.2Confident104 Ų10441.9 Ų41.949%0.48623%0.23SC..Hα-helixtrans-56.3-34.6169.8-74.7176.93.600112V171 A173 P179 L219V171-Q175 WeakPolarHBondContact O-CG 3.3Å; V171-Q175 PolarHBondContact O-N 2.95Å; A173-Q175 VanDerWaalsContact C-N 3.31Å; A173-Q175 PolarHBondContact O-N 3.04Å; Q175-P179 WeakPolarHBondContact O-CD 3.23Å; Q175-L219 HydrophobicContact CB-CD2 4.12Å; Q175-L219 HydrophobicContact CG-CD2 3.32Å
176I88.6Confident87.7Confident97 Ų9739.4 Ų39.450%0.49722%0.216SC..Hα-helixtrans-82.4-45.8178.2-57172.6000110.6A173 M174 P179 M180A173-I176 PolarHBondContact O-N 3.16Å; A173-I176 VanDerWaalsContact O-N 3.15Å; M174-I176 PolarHBondContact O-N 3.41Å; I176-P179 WeakPolarHBondContact O-CD 3.22Å; I176-M180 HydrophobicContact CG2-SD 4.13Å; I176-M180 WeakPolarHBondContact O-CG 3.49Å
177F90.1Very high88Confident1 Ų139.2 Ų39.20%0.00422%0.216CC..Hα-helixtrans-78.5-29.2-172.2-61.9-46.9000114.2V130 I133 L137 L152 A173 M174 M180 L181V130-F177 HydrophobicContact CB-CZ 4.36Å; V130-F177 HydrophobicContact CG1-CE2 3.87Å; V130-F177 HydrophobicContact CG1-CZ 3.62Å; V130-F177 WeakPolarHBondContact O-CZ 3.23Å; I133-F177 HydrophobicContact CB-CE1 4.12Å; I133-F177 HydrophobicContact CB-CZ 3.76Å; I133-F177 HydrophobicContact CG2-CD1 4.24Å; I133-F177 HydrophobicContact CG2-CE1 3.63Å; I133-F177 HydrophobicContact CG2-CE2 4.12Å; I133-F177 HydrophobicContact CG2-CZ 3.54Å; L137-F177 HydrophobicContact CD2-CD1 4.47Å; L152-F177 HydrophobicContact CD1-CD2 3.55Å; L152-F177 HydrophobicContact CD1-CE2 3.83Å; L152-F177 HydrophobicContact CD1-CG 4.29Å; L152-F177 HydrophobicContact CD2-CB 4.17Å; L152-F177 HydrophobicContact CD2-CD2 4.29Å; L152-F177 HydrophobicContact CD2-CG 4.2Å; A173-F177 HydrophobicContact CB-CD2 4.39Å; A173-F177 HydrophobicContact CB-CE2 4.17Å; A173-F177 VanDerWaalsContact O-CD2 3.22Å; A173-F177 WeakPolarHBondContact O-CD2 3.43Å; A173-F177 PolarHBondContact O-N 3.35Å; M174-F177 HydrophobicContact CE-CB 4.43Å; M174-F177 PolarHBondContact O-N 3.37Å; M174-F177 HydrophobicContact SD-CB 4.37Å; M174-F177 HydrophobicContact SD-CD2 4.41Å; F177-M180 HydrophobicContact CD1-SD 4.18Å; F177-M180 PolarHBondContact O-N 2.68Å; F177-M180 VanDerWaalsContact O-N 3.1Å; F177-L181 WeakPolarHBondContact O-CB 3.42Å; F177-L181 VanDerWaalsContact O-CG 3.26Å; F177-L181 WeakPolarHBondContact O-CG 3.25Å; F177-L181 PolarHBondContact O-N 3.02Å
178M87.6Confident88.2Confident7 Ų739.4 Ų39.43%0.03422%0.217CC..Hα-helixtrans-55.1-51.4-178.6-81.1-68.5-79.900113.1M174 M180 L181 K182 L207 L210 F211M174-M178 HydrophobicContact CB-CG 4.35Å; M174-M178 HydrophobicContact CE-CG 3.97Å; M174-M178 HydrophobicContact CE-SD 3.95Å; M174-M178 VanDerWaalsContact O-CB 3.23Å; M174-M178 WeakPolarHBondContact O-CB 3.16Å; M174-M178 WeakPolarHBondContact O-CG 3.26Å; M174-M178 PolarHBondContact O-N 3.35Å; M178-M180 VanDerWaalsContact C-N 3.33Å; M178-M180 PolarHBondContact O-N 3.49Å; M178-L181 PolarHBondContact O-N 3.33Å; M178-K182 PolarHBondContact O-N 2.76Å; M178-K182 VanDerWaalsContact O-N 3.12Å; M178-L207 HydrophobicContact CE-CD2 3.96Å; M178-L207 HydrophobicContact SD-CD2 3.31Å; M178-L207 WeakPolarHBondContact SD-CD2 3.27Å; M178-L210 HydrophobicContact SD-CD2 4.32Å; M178-F211 HydrophobicContact CE-CZ 4Å
179P88.4Confident88.1Confident54 Ų5437.7 Ų37.735%0.35120%0.201SC..Hα-helixtrans-61.2-39.4174.6-23.133.5000113.2Q175 I176 K182 D183Q175-P179 WeakPolarHBondContact O-CD 3.23Å; I176-P179 WeakPolarHBondContact O-CD 3.22Å; P179-K182 WeakPolarHBondContact O-CB 3.3Å; P179-K182 PolarHBondContact O-N 3.04Å; P179-D183 PolarHBondContact O-N 3.42Å
180M89.2Confident88.1Confident25 Ų2541.2 Ų41.212%0.12323%0.225CC..Hα-helixtrans-66.6-43.3-179.1-63.4177.857.400112.2G134 L137 Q138 I176 F177 M178 K182 D183 R184G134-M180 WeakPolarHBondContact O-CE 3.48Å; L137-M180 HydrophobicContact CB-CE 3.8Å; L137-M180 HydrophobicContact CD2-CB 3.97Å; L137-M180 HydrophobicContact CD2-CE 3.92Å; L137-M180 HydrophobicContact CG-CE 3.94Å; Q138-M180 HydrophobicContact CG-CE 3.38Å; I176-M180 HydrophobicContact CG2-SD 4.13Å; I176-M180 WeakPolarHBondContact O-CG 3.49Å; F177-M180 HydrophobicContact CD1-SD 4.18Å; F177-M180 PolarHBondContact O-N 2.68Å; F177-M180 VanDerWaalsContact O-N 3.1Å; M178-M180 VanDerWaalsContact C-N 3.33Å; M178-M180 PolarHBondContact O-N 3.49Å; M180-K182 VanDerWaalsContact C-N 3.29Å; M180-K182 PolarHBondContact O-N 2.93Å; M180-D183 PolarHBondContact O-N 2.87Å; M180-R184 WeakPolarHBondContact O-CB 3.48Å; M180-R184 VanDerWaalsContact O-CG 3.29Å; M180-R184 WeakPolarHBondContact O-CG 3.48Å; M180-R184 PolarHBondContact O-N 2.79Å
181L90.4Very high87.9Confident0 Ų044.4 Ų44.40%024%0.241CC..Hα-helixtrans-60.8-42.5175.4-69.3175000110.6L137 L149 L152 M174 F177 M178 F185 I203 I206 W228L137-L181 HydrophobicContact CD2-CD2 4.01Å; L149-L181 HydrophobicContact CD2-CD2 3.32Å; L152-L181 HydrophobicContact CD2-CD1 4.09Å; L152-L181 HydrophobicContact CD2-CD2 4.09Å; L152-L181 HydrophobicContact CD2-CG 4.43Å; M174-L181 HydrophobicContact CE-CD1 4.03Å; F177-L181 WeakPolarHBondContact O-CB 3.42Å; F177-L181 VanDerWaalsContact O-CG 3.26Å; F177-L181 WeakPolarHBondContact O-CG 3.25Å; F177-L181 PolarHBondContact O-N 3.02Å; M178-L181 PolarHBondContact O-N 3.33Å; L181-F185 WeakPolarHBondContact O-CB 3.34Å; L181-F185 PolarHBondContact O-N 2.88Å; L181-I203 HydrophobicContact CB-CG2 4.03Å; L181-I203 HydrophobicContact CD2-CG1 4.14Å; L181-I203 HydrophobicContact CD2-CG2 4.31Å; L181-I206 HydrophobicContact CD1-CG2 4.3Å; L181-W228 HydrophobicContact CB-CH2 4.18Å; L181-W228 HydrophobicContact CB-CZ2 4.26Å
182K89Confident87.5Confident30 Ų3048.1 Ų48.113%0.1327%0.266CS..Hα-helixtrans-60.8-53.2176.4-178.5-162.559.4166.60111.8M178 P179 M180 R184 F185 I186 E227 W228 I231M178-K182 PolarHBondContact O-N 2.76Å; M178-K182 VanDerWaalsContact O-N 3.12Å; P179-K182 WeakPolarHBondContact O-CB 3.3Å; P179-K182 PolarHBondContact O-N 3.04Å; M180-K182 VanDerWaalsContact C-N 3.29Å; M180-K182 PolarHBondContact O-N 2.93Å; K182-R184 VanDerWaalsContact C-N 3.26Å; K182-R184 PolarHBondContact O-N 2.71Å; K182-F185 WeakPolarHBondContact O-CB 3.36Å; K182-F185 PolarHBondContact O-N 3.22Å; K182-I186 HydrophobicContact CD-CD1 4.42Å; K182-I186 HydrophobicContact CG-CD1 3.99Å; K182-I186 WeakPolarHBondContact O-CG1 3.47Å; K182-I186 PolarHBondContact O-N 2.83Å; K182-E227 HydrophobicContact CD-CB 4.08Å; K182-E227 WeakPolarHBondContact CD-OE2 3.26Å; K182-E227 WeakPolarHBondContact CE-OE2 3.26Å; K182-E227 IonicContact NZ-OE1 3.36Å; K182-E227 IonicContact NZ-OE2 3.5Å; K182-E227 PolarHBondContact NZ-OE2 3.25Å; K182-W228 HydrophobicContact CB-CH2 4.04Å; K182-W228 HydrophobicContact CB-CZ2 3.62Å; K182-W228 HydrophobicContact CG-CZ2 4.46Å; K182-I231 HydrophobicContact CG-CD1 3.79Å
183D88.8Confident87.4Confident94 Ų9447.4 Ų47.450%0.50326%0.258SS..Hα-helixtrans-60.5-39.5-177.5-70.5-12.1000111.2P179 M180 I186 Q187P179-D183 PolarHBondContact O-N 3.42Å; M180-D183 PolarHBondContact O-N 2.87Å; D183-I186 PolarHBondContact O-N 2.93Å; D183-Q187 WeakPolarHBondContact O-CB 3.39Å; D183-Q187 PolarHBondContact O-N 2.87Å
184R87.9Confident87.1Confident31 Ų3150.7 Ų50.712%0.11728%0.281CS..Hα-helixtrans-66-40.9173.1-70.5-58-172.2-158.42.4112.9L137 Q138 S139 M180 K182 I186 Q187 L188L137-R184 HydrophobicContact CD1-CG 4.37Å; L137-R184 PolarHBondContact O-NE 2.78Å; L137-R184 PolarHBondContact O-NH2 2.95Å; Q138-R184 VanDerWaalsContact CA-NH2 3.32Å; Q138-R184 PolarHBondContact O-NH2 3.23Å; S139-R184 PolarHBondContact O-NH2 3.48Å; S139-R184 VanDerWaalsContact O-NH2 3.11Å; M180-R184 WeakPolarHBondContact O-CB 3.48Å; M180-R184 VanDerWaalsContact O-CG 3.29Å; M180-R184 WeakPolarHBondContact O-CG 3.48Å; M180-R184 PolarHBondContact O-N 2.79Å; K182-R184 VanDerWaalsContact C-N 3.26Å; K182-R184 PolarHBondContact O-N 2.71Å; R184-I186 VanDerWaalsContact C-N 3.34Å; R184-I186 PolarHBondContact O-N 3.11Å; R184-Q187 PolarHBondContact O-N 2.72Å; R184-L188 WeakPolarHBondContact O-CB 3.11Å; R184-L188 WeakPolarHBondContact O-CG 3.41Å; R184-L188 PolarHBondContact O-N 2.93Å
185F89.5Confident86.8Confident0 Ų057.9 Ų57.90%031%0.314CS..Hα-helixtrans-59.8-47.6176.1-154.1-71.2000110.7L181 K182 Q187 L188 L189 Q200 I203 F204 W228 I231 V235L181-F185 WeakPolarHBondContact O-CB 3.34Å; L181-F185 PolarHBondContact O-N 2.88Å; K182-F185 WeakPolarHBondContact O-CB 3.36Å; K182-F185 PolarHBondContact O-N 3.22Å; F185-Q187 VanDerWaalsContact C-N 3.31Å; F185-Q187 PolarHBondContact O-N 3.25Å; F185-L188 PolarHBondContact O-N 3.08Å; F185-L188 VanDerWaalsContact O-N 3.1Å; F185-L189 HydrophobicContact CD1-CD1 4.38Å; F185-L189 HydrophobicContact CD1-CD2 4.05Å; F185-L189 HydrophobicContact CD1-CG 3.9Å; F185-L189 HydrophobicContact CE1-CD2 3.69Å; F185-L189 HydrophobicContact CE1-CG 4.08Å; F185-L189 WeakPolarHBondContact O-CG 3.43Å; F185-L189 PolarHBondContact O-N 3.28Å; F185-Q200 HydrophobicContact CD2-CB 4.48Å; F185-Q200 HydrophobicContact CD2-CG 4.48Å; F185-Q200 HydrophobicContact CE1-CB 4.39Å; F185-Q200 HydrophobicContact CE1-CG 4.09Å; F185-Q200 HydrophobicContact CE2-CB 3.72Å; F185-Q200 HydrophobicContact CE2-CG 4.07Å; F185-Q200 WeakPolarHBondContact CE2-O 3.21Å; F185-Q200 HydrophobicContact CZ-CB 3.64Å; F185-Q200 HydrophobicContact CZ-CG 3.83Å; F185-I203 HydrophobicContact CB-CD1 4.31Å; F185-I203 HydrophobicContact CD2-CB 3.92Å; F185-I203 HydrophobicContact CD2-CD1 3.82Å; F185-I203 HydrophobicContact CD2-CG1 4.46Å; F185-I203 HydrophobicContact CD2-CG2 3.83Å; F185-I203 HydrophobicContact CE2-CB 4.25Å; F185-I203 HydrophobicContact CE2-CG2 4.42Å; F185-I203 HydrophobicContact CG-CD1 4.5Å; F185-F204 HydrophobicContact CD2-CE1 4.28Å; F185-F204 AromaticContact CE1-CZ 4Å; F185-F204 HydrophobicContact CE1-CZ 4Å; F185-F204 AromaticContact CE2-CD1 3.85Å; F185-F204 HydrophobicContact CE2-CD1 3.85Å; F185-F204 HydrophobicContact CE2-CD2 4.19Å; F185-F204 AromaticContact CE2-CE1 3.51Å; F185-F204 HydrophobicContact CE2-CE1 3.51Å; F185-F204 AromaticContact CE2-CE2 3.88Å; F185-F204 HydrophobicContact CE2-CE2 3.88Å; F185-F204 HydrophobicContact CE2-CG 4.18Å; F185-F204 AromaticContact CE2-CZ 3.55Å; F185-F204 HydrophobicContact CE2-CZ 3.55Å; F185-F204 HydrophobicContact CZ-CD1 4.36Å; F185-F204 HydrophobicContact CZ-CD2 4.21Å; F185-F204 AromaticContact CZ-CE1 3.68Å; F185-F204 HydrophobicContact CZ-CE1 3.68Å; F185-F204 AromaticContact CZ-CE2 3.49Å; F185-F204 HydrophobicContact CZ-CE2 3.49Å; F185-F204 VanDerWaalsContact CZ-CE2 3.49Å; F185-F204 AromaticContact CZ-CZ 3.2Å; F185-F204 HydrophobicContact CZ-CZ 3.2Å; F185-W228 HydrophobicContact CD2-CZ3 4.48Å; F185-I231 HydrophobicContact CD1-CG2 3.42Å; F185-I231 VanDerWaalsContact CD1-CG2 3.42Å; F185-I231 HydrophobicContact CE1-CG2 3.47Å; F185-I231 VanDerWaalsContact CE1-CG2 3.47Å; F185-I231 HydrophobicContact CG-CG2 4.02Å; F185-I231 HydrophobicContact CZ-CG2 4.08Å; F185-V235 HydrophobicContact CE1-CG2 3.59Å; F185-V235 HydrophobicContact CZ-CG2 3.77Å
186I88Confident86.7Confident86 Ų8653.1 Ų53.144%0.44129%0.292SS..Hα-helixtrans-61.8-39.9178.7-65.3169.2000111.3K182 D183 R184 L188 P190 I231K182-I186 HydrophobicContact CD-CD1 4.42Å; K182-I186 HydrophobicContact CG-CD1 3.99Å; K182-I186 WeakPolarHBondContact O-CG1 3.47Å; K182-I186 PolarHBondContact O-N 2.83Å; D183-I186 PolarHBondContact O-N 2.93Å; R184-I186 VanDerWaalsContact C-N 3.34Å; R184-I186 PolarHBondContact O-N 3.11Å; I186-L188 VanDerWaalsContact C-N 3.29Å; I186-L188 PolarHBondContact O-N 2.82Å; I186-P190 WeakPolarHBondContact O-CD 2.89Å; I186-I231 HydrophobicContact CD1-CD1 4.38Å; I186-I231 HydrophobicContact CG1-CD1 4.06Å; I186-I231 HydrophobicContact CG1-CG1 4.45Å
187Q87.9Confident86.6Confident98 Ų9848.5 Ų48.546%0.45827%0.269SS..Hα-helixtrans-63.1-34.8175.5-175.6-1780.900112.7D183 R184 F185 P190D183-Q187 WeakPolarHBondContact O-CB 3.39Å; D183-Q187 PolarHBondContact O-N 2.87Å; R184-Q187 PolarHBondContact O-N 2.72Å; F185-Q187 VanDerWaalsContact C-N 3.31Å; F185-Q187 PolarHBondContact O-N 3.25Å; Q187-P190 WeakPolarHBondContact O-CD 3.31Å
188L86.5Confident86.4Confident13 Ų1351.1 Ų51.17%0.06828%0.283CS..Hα-helixtrans-86.2-23.3-177.3-74.4172.4000114W145 R184 F185 I186 P190 D191 S196 V199 Q200W145-L188 HydrophobicContact CE3-CD1 4.16Å; W145-L188 HydrophobicContact CE3-CD2 4.19Å; W145-L188 HydrophobicContact CE3-CG 4.5Å; W145-L188 HydrophobicContact CZ3-CD1 4.24Å; W145-L188 HydrophobicContact CZ3-CD2 3.68Å; W145-L188 HydrophobicContact CZ3-CG 4.09Å; R184-L188 WeakPolarHBondContact O-CB 3.11Å; R184-L188 WeakPolarHBondContact O-CG 3.41Å; R184-L188 PolarHBondContact O-N 2.93Å; F185-L188 PolarHBondContact O-N 3.08Å; F185-L188 VanDerWaalsContact O-N 3.1Å; I186-L188 VanDerWaalsContact C-N 3.29Å; I186-L188 PolarHBondContact O-N 2.82Å; L188-P190 VanDerWaalsContact C-CD 3.43Å; L188-P190 VanDerWaalsContact C-N 3.35Å; L188-D191 PolarHBondContact O-N 3.48Å; L188-S196 PolarHBondContact O-OG 2.8Å; L188-S196 VanDerWaalsContact O-OG 3.13Å; L188-V199 HydrophobicContact CD1-CB 3.98Å; L188-V199 HydrophobicContact CD1-CG1 3.41Å; L188-V199 VanDerWaalsContact CD1-CG1 3.41Å; L188-Q200 HydrophobicContact CB-CG 4.16Å; L188-Q200 PolarHBondContact O-NE2 3.16Å; L188-Q200 VanDerWaalsContact O-NE2 3.14Å
189L84.4Confident86.5Confident42 Ų4251.3 Ų51.322%0.2228%0.284CS..THydrogen-bonded Turntrans-47.1-44.8178-84.5175.5000115F185 D191 T234 V235F185-L189 HydrophobicContact CD1-CD1 4.38Å; F185-L189 HydrophobicContact CD1-CD2 4.05Å; F185-L189 HydrophobicContact CD1-CG 3.9Å; F185-L189 HydrophobicContact CE1-CD2 3.69Å; F185-L189 HydrophobicContact CE1-CG 4.08Å; F185-L189 WeakPolarHBondContact O-CG 3.43Å; F185-L189 PolarHBondContact O-N 3.28Å; L189-D191 VanDerWaalsContact C-N 3.32Å; L189-D191 PolarHBondContact O-N 3.26Å; L189-T234 HydrophobicContact CD2-CG2 4.49Å; L189-V235 HydrophobicContact CD2-CG2 3.95Å
190P85.5Confident86.7Confident109 Ų10948.7 Ų48.771%0.70827%0.267SS*.THydrogen-bonded Turntrans-76.7-11.4-179.329.3-35.8000114.7I186 Q187 L188 P192I186-P190 WeakPolarHBondContact O-CD 2.89Å; Q187-P190 WeakPolarHBondContact O-CD 3.31Å; L188-P190 VanDerWaalsContact C-CD 3.43Å; L188-P190 VanDerWaalsContact C-N 3.35Å; P190-P192 WeakPolarHBondContact O-CD 3.47Å
191D84.2Confident86.8Confident67 Ų6749.2 Ų49.236%0.35827%0.269SS..  trans-88.5115.1-179.8-18011.8000111.3L188 L189 S193 S196L188-D191 PolarHBondContact O-N 3.48Å; L189-D191 VanDerWaalsContact C-N 3.32Å; L189-D191 PolarHBondContact O-N 3.26Å; D191-S193 VanDerWaalsContact C-N 3.25Å; D191-S193 VanDerWaalsContact CG-OG 3.27Å; D191-S193 PolarHBondContact O-N 2.92Å; D191-S193 WeakPolarHBondContact OD1-CB 3.31Å; D191-S193 PolarHBondContact OD1-N 2.91Å; D191-S193 PolarHBondContact OD1-OG 3.47Å; D191-S193 PolarHBondContact OD2-OG 2.89Å; D191-S196 PolarHBondContact O-OG 3.28Å; D191-S196 WeakPolarHBondContact OD2-CB 3.49Å
192P78.1Confident86.9Confident96 Ų9649.6 Ų49.662%0.62327%0.271SS*.  trans-82.711.3179.436.6-37.1000113.9P190 W257P190-P192 WeakPolarHBondContact O-CD 3.47Å; P192-W257 HydrophobicContact CB-CH2 4.35Å; P192-W257 WeakPolarHBondContact O-CZ2 3.45Å
193S84.7Confident87.1Confident38 Ų3848.2 Ų48.227%0.26627%0.265SS..  trans-66.8145.3176.971.70000112.7D191 E195 S196 V197D191-S193 VanDerWaalsContact C-N 3.25Å; D191-S193 VanDerWaalsContact CG-OG 3.27Å; D191-S193 PolarHBondContact O-N 2.92Å; D191-S193 WeakPolarHBondContact OD1-CB 3.31Å; D191-S193 PolarHBondContact OD1-N 2.91Å; D191-S193 PolarHBondContact OD1-OG 3.47Å; D191-S193 PolarHBondContact OD2-OG 2.89Å; S193-E195 PolarHBondContact O-N 3.39Å; S193-S196 WeakPolarHBondContact O-CB 3.48Å; S193-S196 PolarHBondContact O-N 3.36Å; S193-S196 WeakPolarHBondContact OG-CB 3.35Å; S193-S196 PolarHBondContact OG-N 3.09Å; S193-S196 VanDerWaalsContact OG-N 3.15Å; S193-V197 WeakPolarHBondContact O-CG2 3.2Å; S193-V197 PolarHBondContact O-N 2.92Å
194S82.3Confident87.3Confident73 Ų7343.7 Ų43.751%0.5124%0.241SC..Hα-helixtrans-62.2-33.6176.2540000112.5V197 L198S194-V197 PolarHBondContact O-N 3.14Å; S194-L198 WeakPolarHBondContact O-CB 3.49Å; S194-L198 PolarHBondContact O-N 2.9Å
195E82.8Confident87.5Confident150 Ų15044.2 Ų44.270%0.70124%0.244SC*.Hα-helixtrans-65-43.7175.8-63-177.1165.700111.7S193 V197 L198 V199S193-E195 PolarHBondContact O-N 3.39Å; E195-V197 PolarHBondContact O-N 3.23Å; E195-L198 WeakPolarHBondContact O-CB 3.45Å; E195-L198 PolarHBondContact O-N 3.28Å; E195-V199 WeakPolarHBondContact O-CG2 3.44Å; E195-V199 PolarHBondContact O-N 3.07Å; E195-V199 VanDerWaalsContact O-N 3.13Å
196S86.8Confident87.6Confident4 Ų444.2 Ų44.23%0.02824%0.244CC..Hα-helixtrans-58.8-45.9173.71700000111.7L188 D191 S193 L198 V199 Q200L188-S196 PolarHBondContact O-OG 2.8Å; L188-S196 VanDerWaalsContact O-OG 3.13Å; D191-S196 PolarHBondContact O-OG 3.28Å; D191-S196 WeakPolarHBondContact OD2-CB 3.49Å; S193-S196 WeakPolarHBondContact O-CB 3.48Å; S193-S196 PolarHBondContact O-N 3.36Å; S193-S196 WeakPolarHBondContact OG-CB 3.35Å; S193-S196 PolarHBondContact OG-N 3.09Å; S193-S196 VanDerWaalsContact OG-N 3.15Å; S196-L198 VanDerWaalsContact C-N 3.3Å; S196-L198 PolarHBondContact O-N 3.32Å; S196-V199 WeakPolarHBondContact O-CB 3.37Å; S196-V199 PolarHBondContact O-N 2.85Å; S196-Q200 WeakPolarHBondContact O-CG 3.28Å; S196-Q200 PolarHBondContact O-N 3.49Å; S196-Q200 PolarHBondContact OG-NE2 2.83Å
197V86.6Confident87.8Confident0 Ų040.2 Ų40.20%022%0.223CC..Hα-helixtrans-66.5-33.2179.7179.60000112S193 S194 E195 V199 Q200 K201 P256 W257 C260S193-V197 WeakPolarHBondContact O-CG2 3.2Å; S193-V197 PolarHBondContact O-N 2.92Å; S194-V197 PolarHBondContact O-N 3.14Å; E195-V197 PolarHBondContact O-N 3.23Å; V197-V199 VanDerWaalsContact C-N 3.34Å; V197-Q200 PolarHBondContact O-N 3.43Å; V197-K201 WeakPolarHBondContact O-CB 3.49Å; V197-K201 PolarHBondContact O-N 2.85Å; V197-P256 HydrophobicContact CB-CB 4.26Å; V197-P256 HydrophobicContact CG1-CB 3.92Å; V197-P256 WeakPolarHBondContact CG1-O 3.19Å; V197-W257 HydrophobicContact CG1-CD2 4.32Å; V197-W257 HydrophobicContact CG1-CG 4.35Å; V197-W257 HydrophobicContact CG2-CD2 4.06Å; V197-W257 HydrophobicContact CG2-CE3 4.32Å; V197-W257 HydrophobicContact CG2-CH2 3.9Å; V197-W257 HydrophobicContact CG2-CZ2 3.61Å; V197-W257 HydrophobicContact CG2-CZ3 4.29Å; V197-C260 HydrophobicContact CG1-CB 3.81Å
198L86.6Confident87.9Confident56 Ų5636.7 Ų36.729%0.29321%0.206SC..Hα-helixtrans-65-39.2174.7-173.660.3000111.8L146 S194 E195 S196 K201 Q202L146-L198 HydrophobicContact CD1-CG 4.17Å; L146-L198 HydrophobicContact CD2-CD2 3.51Å; L146-L198 HydrophobicContact CD2-CG 3.99Å; S194-L198 WeakPolarHBondContact O-CB 3.49Å; S194-L198 PolarHBondContact O-N 2.9Å; E195-L198 WeakPolarHBondContact O-CB 3.45Å; E195-L198 PolarHBondContact O-N 3.28Å; S196-L198 VanDerWaalsContact C-N 3.3Å; S196-L198 PolarHBondContact O-N 3.32Å; L198-K201 HydrophobicContact CD1-CD 4Å; L198-Q202 PolarHBondContact O-N 2.83Å
199V89.9Confident88Confident11 Ų1136.1 Ų36.17%0.06720%0.203CC..Hα-helixtrans-65.2-47.1172.9175.70000110.7W145 L146 L149 L188 E195 S196 V197 K201 Q202 I203W145-V199 HydrophobicContact CB-CG1 4.3Å; W145-V199 HydrophobicContact CB-CG2 4.41Å; L146-V199 HydrophobicContact CB-CG2 4.21Å; L149-V199 HydrophobicContact CD1-CG1 3.59Å; L188-V199 HydrophobicContact CD1-CB 3.98Å; L188-V199 HydrophobicContact CD1-CG1 3.41Å; L188-V199 VanDerWaalsContact CD1-CG1 3.41Å; E195-V199 WeakPolarHBondContact O-CG2 3.44Å; E195-V199 PolarHBondContact O-N 3.07Å; E195-V199 VanDerWaalsContact O-N 3.13Å; S196-V199 WeakPolarHBondContact O-CB 3.37Å; S196-V199 PolarHBondContact O-N 2.85Å; V197-V199 VanDerWaalsContact C-N 3.34Å; V199-K201 PolarHBondContact O-N 3.38Å; V199-Q202 PolarHBondContact O-N 3.37Å; V199-Q202 VanDerWaalsContact O-N 3.08Å; V199-I203 HydrophobicContact CG1-CD1 4.42Å; V199-I203 WeakPolarHBondContact O-CG1 3.42Å; V199-I203 PolarHBondContact O-N 3.42Å
200Q90.9Very high88.1Confident0 Ų034.2 Ų34.20%019%0.193CC..Hα-helixtrans-55.5-48.3175.1-70.617042.700111.7F185 L188 S196 V197 Q202 I203 F204F185-Q200 HydrophobicContact CD2-CB 4.48Å; F185-Q200 HydrophobicContact CD2-CG 4.48Å; F185-Q200 HydrophobicContact CE1-CB 4.39Å; F185-Q200 HydrophobicContact CE1-CG 4.09Å; F185-Q200 HydrophobicContact CE2-CB 3.72Å; F185-Q200 HydrophobicContact CE2-CG 4.07Å; F185-Q200 WeakPolarHBondContact CE2-O 3.21Å; F185-Q200 HydrophobicContact CZ-CB 3.64Å; F185-Q200 HydrophobicContact CZ-CG 3.83Å; L188-Q200 HydrophobicContact CB-CG 4.16Å; L188-Q200 PolarHBondContact O-NE2 3.16Å; L188-Q200 VanDerWaalsContact O-NE2 3.14Å; S196-Q200 WeakPolarHBondContact O-CG 3.28Å; S196-Q200 PolarHBondContact O-N 3.49Å; S196-Q200 PolarHBondContact OG-NE2 2.83Å; V197-Q200 PolarHBondContact O-N 3.43Å; Q200-Q202 VanDerWaalsContact C-N 3.31Å; Q200-Q202 PolarHBondContact O-N 3.14Å; Q200-I203 PolarHBondContact O-N 3.19Å; Q200-F204 PolarHBondContact O-N 3.07Å; Q200-F204 VanDerWaalsContact O-N 3.1Å
201K92Very high88.2Confident35 Ų3529.9 Ų29.915%0.15216%0.163CC..Hα-helixtrans-56.1-44.5174.4173.2-131.6167.9-178.40111.6V197 L198 V199 I203 F204 K205 K259 C260V197-K201 WeakPolarHBondContact O-CB 3.49Å; V197-K201 PolarHBondContact O-N 2.85Å; L198-K201 HydrophobicContact CD1-CD 4Å; V199-K201 PolarHBondContact O-N 3.38Å; K201-I203 VanDerWaalsContact C-N 3.33Å; K201-I203 PolarHBondContact O-N 2.89Å; K201-F204 PolarHBondContact O-N 3.4Å; K201-K205 PolarHBondContact O-N 3.34Å; K201-K259 HydrophobicContact CD-CB 4.22Å; K201-K259 HydrophobicContact CG-CB 4.15Å; K201-C260 HydrophobicContact CB-CB 4.08Å
202Q91.8Very high88.2Confident8 Ų827.9 Ų27.94%0.03715%0.152CC..Hα-helixtrans-65.7-35.7179.8-171.358.83300112.1L146 L149 L198 V199 Q200 K205 I206L146-Q202 HydrophobicContact CD1-CB 4.05Å; L146-Q202 HydrophobicContact CD1-CG 4.23Å; L149-Q202 HydrophobicContact CB-CB 4.43Å; L149-Q202 HydrophobicContact CB-CG 3.67Å; L149-Q202 HydrophobicContact CD1-CB 4.38Å; L149-Q202 HydrophobicContact CD1-CG 4.47Å; L198-Q202 PolarHBondContact O-N 2.83Å; V199-Q202 PolarHBondContact O-N 3.37Å; V199-Q202 VanDerWaalsContact O-N 3.08Å; Q200-Q202 VanDerWaalsContact C-N 3.31Å; Q200-Q202 PolarHBondContact O-N 3.14Å; Q202-K205 WeakPolarHBondContact O-CB 3.3Å; Q202-K205 PolarHBondContact O-N 3.21Å; Q202-I206 WeakPolarHBondContact O-CG1 3.49Å; Q202-I206 PolarHBondContact O-N 2.96Å
203I93.6Very high88.4Confident1 Ų127.1 Ų27.11%0.00514%0.137CC..Hα-helixtrans-61.6-47.1173-62.8172000110.6L149 L181 F185 V199 Q200 K201 K205 I206 L207 W228L149-I203 HydrophobicContact CD1-CD1 4.35Å; L149-I203 HydrophobicContact CD1-CG1 3.69Å; L149-I203 HydrophobicContact CD2-CG1 4.11Å; L181-I203 HydrophobicContact CB-CG2 4.03Å; L181-I203 HydrophobicContact CD2-CG1 4.14Å; L181-I203 HydrophobicContact CD2-CG2 4.31Å; F185-I203 HydrophobicContact CB-CD1 4.31Å; F185-I203 HydrophobicContact CD2-CB 3.92Å; F185-I203 HydrophobicContact CD2-CD1 3.82Å; F185-I203 HydrophobicContact CD2-CG1 4.46Å; F185-I203 HydrophobicContact CD2-CG2 3.83Å; F185-I203 HydrophobicContact CE2-CB 4.25Å; F185-I203 HydrophobicContact CE2-CG2 4.42Å; F185-I203 HydrophobicContact CG-CD1 4.5Å; V199-I203 HydrophobicContact CG1-CD1 4.42Å; V199-I203 WeakPolarHBondContact O-CG1 3.42Å; V199-I203 PolarHBondContact O-N 3.42Å; Q200-I203 PolarHBondContact O-N 3.19Å; K201-I203 VanDerWaalsContact C-N 3.33Å; K201-I203 PolarHBondContact O-N 2.89Å; I203-K205 VanDerWaalsContact C-N 3.32Å; I203-K205 PolarHBondContact O-N 3.39Å; I203-I206 WeakPolarHBondContact O-CB 3.42Å; I203-I206 PolarHBondContact O-N 3.2Å; I203-I206 VanDerWaalsContact O-N 3.13Å; I203-L207 HydrophobicContact CG2-CD1 4.46Å; I203-L207 PolarHBondContact O-N 3.28Å; I203-L207 VanDerWaalsContact O-N 3.08Å; I203-W228 HydrophobicContact CG2-CH2 4.07Å; I203-W228 HydrophobicContact CG2-CZ3 4.49Å
204F93.9Very high88.3Confident0 Ų026.7 Ų26.70%013%0.132CC..Hα-helixtrans-63.2-35.8176.7-70.8-29.6000113.2F185 Q200 K201 I206 L207 Y208 I231 L232 V235 W263 A264 I267F185-F204 HydrophobicContact CD2-CE1 4.28Å; F185-F204 AromaticContact CE1-CZ 4Å; F185-F204 HydrophobicContact CE1-CZ 4Å; F185-F204 AromaticContact CE2-CD1 3.85Å; F185-F204 HydrophobicContact CE2-CD1 3.85Å; F185-F204 HydrophobicContact CE2-CD2 4.19Å; F185-F204 AromaticContact CE2-CE1 3.51Å; F185-F204 HydrophobicContact CE2-CE1 3.51Å; F185-F204 AromaticContact CE2-CE2 3.88Å; F185-F204 HydrophobicContact CE2-CE2 3.88Å; F185-F204 HydrophobicContact CE2-CG 4.18Å; F185-F204 AromaticContact CE2-CZ 3.55Å; F185-F204 HydrophobicContact CE2-CZ 3.55Å; F185-F204 HydrophobicContact CZ-CD1 4.36Å; F185-F204 HydrophobicContact CZ-CD2 4.21Å; F185-F204 AromaticContact CZ-CE1 3.68Å; F185-F204 HydrophobicContact CZ-CE1 3.68Å; F185-F204 AromaticContact CZ-CE2 3.49Å; F185-F204 HydrophobicContact CZ-CE2 3.49Å; F185-F204 VanDerWaalsContact CZ-CE2 3.49Å; F185-F204 AromaticContact CZ-CZ 3.2Å; F185-F204 HydrophobicContact CZ-CZ 3.2Å; Q200-F204 PolarHBondContact O-N 3.07Å; Q200-F204 VanDerWaalsContact O-N 3.1Å; K201-F204 PolarHBondContact O-N 3.4Å; F204-I206 VanDerWaalsContact C-N 3.28Å; F204-I206 PolarHBondContact O-N 2.84Å; F204-L207 HydrophobicContact CD1-CD1 4.18Å; F204-L207 PolarHBondContact O-N 2.98Å; F204-Y208 WeakPolarHBondContact O-CB 3.48Å; F204-Y208 PolarHBondContact O-N 3.16Å; F204-I231 HydrophobicContact CE1-CG2 4.07Å; F204-I231 HydrophobicContact CZ-CG2 4.01Å; F204-L232 HydrophobicContact CD1-CD2 4.1Å; F204-L232 HydrophobicContact CE1-CD2 3.61Å; F204-L232 HydrophobicContact CE1-CG 4.43Å; F204-L232 HydrophobicContact CZ-CD2 3.83Å; F204-V235 HydrophobicContact CE2-CB 4.09Å; F204-V235 HydrophobicContact CE2-CG1 3.94Å; F204-V235 HydrophobicContact CE2-CG2 3.98Å; F204-V235 HydrophobicContact CZ-CB 4.28Å; F204-V235 HydrophobicContact CZ-CG2 3.9Å; F204-W263 HydrophobicContact CB-CB 3.7Å; F204-A264 HydrophobicContact CD2-CB 4.02Å; F204-A264 HydrophobicContact CE2-CB 3.64Å; F204-A264 HydrophobicContact CZ-CB 4.18Å; F204-I267 HydrophobicContact CB-CD1 4Å; F204-I267 HydrophobicContact CD1-CD1 4.09Å; F204-I267 HydrophobicContact CG-CD1 4.27Å
205K91.9Very high88.4Confident41 Ų4123.2 Ų23.218%0.17811%0.108CC..Hα-helixtrans-58.6-39.5172.5-78.9-163.270.4-177.40113Y153 K201 Q202 I203 A209 W263Y153-K205 HydrophobicContact CD2-CB 4.33Å; Y153-K205 HydrophobicContact CE2-CB 4.17Å; K201-K205 PolarHBondContact O-N 3.34Å; Q202-K205 WeakPolarHBondContact O-CB 3.3Å; Q202-K205 PolarHBondContact O-N 3.21Å; I203-K205 VanDerWaalsContact C-N 3.32Å; I203-K205 PolarHBondContact O-N 3.39Å; K205-A209 WeakPolarHBondContact O-CB 3.36Å; K205-A209 PolarHBondContact O-N 3.12Å; K205-A209 VanDerWaalsContact O-N 3.09Å; K205-W263 HydrophobicContact CD-CZ2 3.88Å; K205-W263 HydrophobicContact CG-CD2 3.72Å; K205-W263 HydrophobicContact CG-CE3 4.37Å; K205-W263 HydrophobicContact CG-CG 4.01Å; K205-W263 HydrophobicContact CG-CH2 4.42Å; K205-W263 HydrophobicContact CG-CZ2 3.77Å
206I92.3Very high88.3Confident0 Ų016.6 Ų16.60%08%0.077CC..Hα-helixtrans-66.1-46.3177.6-65.1164.1000110.1L149 L152 Y153 V156 M174 L181 Q202 I203 F204 Y208 A209 L210L149-I206 HydrophobicContact CB-CD1 4.07Å; L149-I206 HydrophobicContact CD2-CD1 3.78Å; L149-I206 WeakPolarHBondContact O-CD1 3.49Å; L152-I206 HydrophobicContact CB-CD1 4.21Å; L152-I206 HydrophobicContact CD2-CD1 4.09Å; L152-I206 HydrophobicContact CD2-CG2 4.35Å; L152-I206 HydrophobicContact CG-CD1 4.13Å; L152-I206 HydrophobicContact CG-CG2 4.23Å; Y153-I206 HydrophobicContact CD2-CG1 4.07Å; Y153-I206 HydrophobicContact CG-CG1 4.4Å; V156-I206 HydrophobicContact CG2-CG2 3.76Å; M174-I206 HydrophobicContact CE-CG2 4.26Å; L181-I206 HydrophobicContact CD1-CG2 4.3Å; Q202-I206 WeakPolarHBondContact O-CG1 3.49Å; Q202-I206 PolarHBondContact O-N 2.96Å; I203-I206 WeakPolarHBondContact O-CB 3.42Å; I203-I206 PolarHBondContact O-N 3.2Å; I203-I206 VanDerWaalsContact O-N 3.13Å; F204-I206 VanDerWaalsContact C-N 3.28Å; F204-I206 PolarHBondContact O-N 2.84Å; I206-Y208 PolarHBondContact O-N 3.41Å; I206-A209 PolarHBondContact O-N 3.49Å; I206-L210 PolarHBondContact O-N 3.01Å
207L90.9Very high88Confident3 Ų319.9 Ų19.92%0.0169%0.094CC..Hα-helixtrans-63.4-40.8177.9-65.2179.4000112.3M178 I203 F204 L210 F211 W228 I267M178-L207 HydrophobicContact CE-CD2 3.96Å; M178-L207 HydrophobicContact SD-CD2 3.31Å; M178-L207 WeakPolarHBondContact SD-CD2 3.27Å; I203-L207 HydrophobicContact CG2-CD1 4.46Å; I203-L207 PolarHBondContact O-N 3.28Å; I203-L207 VanDerWaalsContact O-N 3.08Å; F204-L207 HydrophobicContact CD1-CD1 4.18Å; F204-L207 PolarHBondContact O-N 2.98Å; L207-L210 WeakPolarHBondContact O-CB 3.46Å; L207-L210 PolarHBondContact O-N 3.29Å; L207-F211 HydrophobicContact CB-CE2 4.28Å; L207-F211 VanDerWaalsContact O-CD2 3.32Å; L207-F211 WeakPolarHBondContact O-CD2 3.26Å; L207-F211 WeakPolarHBondContact O-CG 3.45Å; L207-F211 PolarHBondContact O-N 3.43Å; L207-W228 HydrophobicContact CD1-CD2 4.05Å; L207-W228 HydrophobicContact CD1-CE3 3.63Å; L207-W228 HydrophobicContact CD1-CH2 3.62Å; L207-W228 HydrophobicContact CD1-CZ2 4Å; L207-W228 HydrophobicContact CD1-CZ3 3.42Å; L207-W228 VanDerWaalsContact CD1-CZ3 3.42Å; L207-W228 HydrophobicContact CD2-CZ2 4.27Å; L207-I267 HydrophobicContact CB-CD1 3.97Å
208Y90.4Very high87.6Confident23 Ų2327.2 Ų27.29%0.0913%0.129CC..Hα-helixtrans-63.3-48.5177.4-178.7-95.3000111.6F204 I206 L210 F211 Q212 W263 H266 I267 R270F204-Y208 WeakPolarHBondContact O-CB 3.48Å; F204-Y208 PolarHBondContact O-N 3.16Å; I206-Y208 PolarHBondContact O-N 3.41Å; Y208-L210 PolarHBondContact O-N 2.97Å; Y208-F211 PolarHBondContact O-N 3.1Å; Y208-Q212 HydrophobicContact CD1-CB 4.47Å; Y208-Q212 HydrophobicContact CE1-CB 4.14Å; Y208-Q212 HydrophobicContact CE1-CG 4.11Å; Y208-Q212 WeakPolarHBondContact O-CB 3.48Å; Y208-Q212 PolarHBondContact O-N 3.21Å; Y208-W263 HydrophobicContact CD1-CE3 4.06Å; Y208-W263 HydrophobicContact CD1-CH2 4.28Å; Y208-W263 AromaticContact CD1-CZ3 3.34Å; Y208-W263 HydrophobicContact CD1-CZ3 3.34Å; Y208-W263 HydrophobicContact CD2-CE3 4.47Å; Y208-W263 HydrophobicContact CD2-CZ3 4.4Å; Y208-W263 AromaticContact CE1-CZ3 3.79Å; Y208-W263 HydrophobicContact CE1-CZ3 3.79Å; Y208-W263 AromaticContact CG-CE3 3.88Å; Y208-W263 HydrophobicContact CG-CE3 3.88Å; Y208-W263 AromaticContact CG-CZ3 3.67Å; Y208-W263 HydrophobicContact CG-CZ3 3.67Å; Y208-H266 HydrophobicContact CD2-CB 3.93Å; Y208-H266 HydrophobicContact CE2-CB 3.86Å; Y208-I267 HydrophobicContact CD2-CG1 4.03Å; Y208-I267 HydrophobicContact CG-CG1 4.46Å; Y208-R270 HydrophobicContact CE2-CB 4.16Å; Y208-R270 HydrophobicContact CE2-CG 4.42Å
209A87.7Confident87.2Confident2 Ų225 Ų252%0.01712%0.117CC..Hα-helixtrans-61-27.9176.600000112.7Y153 V156 K205 I206Y153-A209 HydrophobicContact CE2-CB 4.04Å; V156-A209 HydrophobicContact CG1-CB 3.89Å; K205-A209 WeakPolarHBondContact O-CB 3.36Å; K205-A209 PolarHBondContact O-N 3.12Å; K205-A209 VanDerWaalsContact O-N 3.09Å; I206-A209 PolarHBondContact O-N 3.49Å
210L88.3Confident86.6Confident1 Ų125.9 Ų25.91%0.00512%0.121CC..Hα-helixtrans-70.8-41.7173.3-177.665000112.1V156 L170 M174 M178 I206 L207 Y208 P216 L219V156-L210 HydrophobicContact CG1-CB 4.09Å; L170-L210 HydrophobicContact CD2-CD1 3.96Å; L170-L210 HydrophobicContact CG-CD1 4.38Å; M174-L210 HydrophobicContact CB-CD2 4.42Å; M174-L210 HydrophobicContact CE-CD2 4.06Å; M174-L210 HydrophobicContact CG-CD1 4.11Å; M174-L210 HydrophobicContact CG-CD2 4.19Å; M178-L210 HydrophobicContact SD-CD2 4.32Å; I206-L210 PolarHBondContact O-N 3.01Å; L207-L210 WeakPolarHBondContact O-CB 3.46Å; L207-L210 PolarHBondContact O-N 3.29Å; Y208-L210 PolarHBondContact O-N 2.97Å; L210-P216 HydrophobicContact CD1-CG 4.14Å; L210-P216 HydrophobicContact CG-CG 4.44Å; L210-L219 HydrophobicContact CD1-CD1 4.48Å; L210-L219 HydrophobicContact CD2-CD1 3.92Å
211F87.2Confident86.1Confident19 Ų1929.7 Ų29.78%0.08314%0.141CC..Hα-helixtrans-96-15.1-170.9-59-28.8000115.2M178 L207 Y208 Y213 N214 L215 I220 I267 Y275M178-F211 HydrophobicContact CE-CZ 4Å; L207-F211 HydrophobicContact CB-CE2 4.28Å; L207-F211 VanDerWaalsContact O-CD2 3.32Å; L207-F211 WeakPolarHBondContact O-CD2 3.26Å; L207-F211 WeakPolarHBondContact O-CG 3.45Å; L207-F211 PolarHBondContact O-N 3.43Å; Y208-F211 PolarHBondContact O-N 3.1Å; F211-Y213 PolarHBondContact O-N 3.07Å; F211-N214 WeakPolarHBondContact CA-O 3.32Å; F211-L215 HydrophobicContact CB-CD1 4.13Å; F211-L215 HydrophobicContact CD1-CD1 3.56Å; F211-L215 HydrophobicContact CE1-CD1 4.05Å; F211-L215 HydrophobicContact CG-CD1 3.85Å; F211-I220 HydrophobicContact CE1-CD1 4.14Å; F211-I220 HydrophobicContact CZ-CD1 4.42Å; F211-I267 HydrophobicContact CD2-CG2 4.32Å; F211-Y275 WeakPolarHBondContact O-CE2 3.3Å; F211-Y275 PolarHBondContact O-OH 3.07Å
212Q84.1Confident85.3Confident25 Ų2536.8 Ų36.812%0.11717%0.167CC..SBendtrans-57.7-46-170.9178.4173.8-6.900113.8E160 Y208 R274E160-Q212 PolarHBondContact OE1-OE1 3.05Å; Y208-Q212 HydrophobicContact CD1-CB 4.47Å; Y208-Q212 HydrophobicContact CE1-CB 4.14Å; Y208-Q212 HydrophobicContact CE1-CG 4.11Å; Y208-Q212 WeakPolarHBondContact O-CB 3.48Å; Y208-Q212 PolarHBondContact O-N 3.21Å; Q212-R274 PolarHBondContact O-NH1 2.93Å
213Y82.5Confident84.8Confident79 Ų7942.7 Ų42.731%0.3120%0.195SC..SBendtrans-108.6-24.6-173.7-63.6-69.3000114.9E160 Y161 F211 R274E160-Y213 HydrophobicContact CG-CD2 3.68Å; E160-Y213 HydrophobicContact CG-CE2 3.67Å; E160-Y213 WeakPolarHBondContact O-CD2 3.42Å; Y161-Y213 HydrophobicContact CD1-CE2 4.02Å; Y161-Y213 HydrophobicContact CE1-CD2 4.47Å; Y161-Y213 AromaticContact CE1-CE2 3.54Å; Y161-Y213 HydrophobicContact CE1-CE2 3.54Å; Y161-Y213 AromaticContact CE1-CZ 3.57Å; Y161-Y213 WeakPolarHBondContact CE1-OH 3.23Å; Y161-Y213 AromaticContact CZ-CE2 3.9Å; F211-Y213 PolarHBondContact O-N 3.07Å; Y213-R274 PolarHBondContact O-NH2 3.05Å; Y213-R274 VanDerWaalsContact O-NH2 3.17Å
214N82.3Confident84.3Confident29 Ų2944.5 Ų44.516%0.15521%0.205CC..  trans-146.9140.6176.2-179.1-69.6000108.3F211 P216 Y275F211-N214 WeakPolarHBondContact CA-O 3.32Å; N214-P216 WeakPolarHBondContact O-CD 3.4Å; N214-Y275 VanDerWaalsContact C-OH 3.27Å; N214-Y275 WeakPolarHBondContact CA-OH 3.35Å; N214-Y275 PolarHBondContact N-OH 3.24Å; N214-Y275 VanDerWaalsContact N-OH 3.15Å
215L83.3Confident83.8Confident1 Ų145.1 Ų45.11%0.00521%0.208CC..  trans-105.4103.1174.7-173.473.6000108.9F211 L217 I220 L271 Y275 Y285 F288F211-L215 HydrophobicContact CB-CD1 4.13Å; F211-L215 HydrophobicContact CD1-CD1 3.56Å; F211-L215 HydrophobicContact CE1-CD1 4.05Å; F211-L215 HydrophobicContact CG-CD1 3.85Å; L215-L217 HydrophobicContact CD2-CD2 4.49Å; L215-L217 PolarHBondContact O-N 3.36Å; L215-I220 HydrophobicContact CD1-CD1 3.23Å; L215-I220 HydrophobicContact CD2-CD1 3.9Å; L215-I220 HydrophobicContact CG-CD1 3.46Å; L215-I220 VanDerWaalsContact CG-CD1 3.46Å; L215-L271 HydrophobicContact CD1-CD2 3.78Å; L215-Y275 HydrophobicContact CB-CD1 3.77Å; L215-Y275 HydrophobicContact CB-CD2 4.1Å; L215-Y275 HydrophobicContact CB-CE1 3.58Å; L215-Y275 HydrophobicContact CB-CE2 3.92Å; L215-Y275 HydrophobicContact CB-CG 4.02Å; L215-Y275 HydrophobicContact CD1-CD2 4.45Å; L215-Y275 HydrophobicContact CD1-CE2 4.48Å; L215-Y275 HydrophobicContact CD2-CD1 4.23Å; L215-Y275 HydrophobicContact CD2-CD2 4.16Å; L215-Y275 HydrophobicContact CD2-CG 3.86Å; L215-Y275 HydrophobicContact CG-CD2 4.48Å; L215-Y275 HydrophobicContact CG-CG 4.46Å; L215-Y275 PolarHBondContact N-OH 3.38Å; L215-Y285 HydrophobicContact CB-CD1 4.43Å; L215-Y285 HydrophobicContact CB-CE1 3.71Å; L215-Y285 HydrophobicContact CD2-CD1 4.31Å; L215-Y285 HydrophobicContact CD2-CE1 4.33Å; L215-Y285 HydrophobicContact CG-CE1 4.44Å; L215-Y285 PolarHBondContact N-OH 3.5Å; L215-Y285 WeakPolarHBondContact O-CE1 3Å; L215-Y285 PolarHBondContact O-OH 3.26Å; L215-F288 HydrophobicContact CD2-CD1 3.92Å; L215-F288 HydrophobicContact CD2-CD2 4.2Å; L215-F288 HydrophobicContact CD2-CE1 3.7Å; L215-F288 HydrophobicContact CD2-CE2 3.96Å; L215-F288 HydrophobicContact CD2-CG 4.18Å; L215-F288 HydrophobicContact CD2-CZ 3.72Å
216P82.1Confident83.5Confident10 Ų1045.7 Ų45.77%0.06521%0.214CC..  trans-71.299-175.6-15.830.1000110.4V171 L210 N214 E218 L219V171-P216 HydrophobicContact CG2-CB 4.05Å; V171-P216 HydrophobicContact CG2-CG 4.36Å; L210-P216 HydrophobicContact CD1-CG 4.14Å; L210-P216 HydrophobicContact CG-CG 4.44Å; N214-P216 WeakPolarHBondContact O-CD 3.4Å; P216-E218 PolarHBondContact O-N 3.09Å; P216-E218 VanDerWaalsContact O-N 3.13Å; P216-L219 HydrophobicContact CB-CB 4.42Å; P216-L219 HydrophobicContact CB-CD1 3.79Å; P216-L219 HydrophobicContact CB-CG 3.95Å; P216-L219 HydrophobicContact CG-CD1 3.95Å; P216-L219 WeakPolarHBondContact O-CB 3.26Å; P216-L219 PolarHBondContact O-N 2.58Å
217L79.6Confident83.3Confident73 Ų7348.4 Ų48.438%0.38223%0.227SC..G310 helixtrans-57.9-29.3-177.5-68.3177.4000112.4L215 L219 I220 E284 Y285 F288L215-L217 HydrophobicContact CD2-CD2 4.49Å; L215-L217 PolarHBondContact O-N 3.36Å; L217-L219 PolarHBondContact O-N 2.84Å; L217-I220 PolarHBondContact O-N 2.9Å; L217-I220 VanDerWaalsContact O-N 3.11Å; L217-E284 WeakPolarHBondContact CD1-O 3.12Å; L217-Y285 HydrophobicContact CD1-CD1 4.11Å; L217-Y285 HydrophobicContact CD1-CE1 4.07Å; L217-Y285 HydrophobicContact CD2-CD1 3.82Å; L217-Y285 HydrophobicContact CD2-CE1 3.92Å; L217-Y285 HydrophobicContact CG-CD1 4.09Å; L217-Y285 HydrophobicContact CG-CE1 3.81Å; L217-F288 HydrophobicContact CD2-CB 4.31Å
218E78.6Confident83.3Confident155 Ų15549.1 Ų49.172%0.72423%0.23SC*.G310 helixtrans-60-29.4174.3-60.5-174.5-176.100113.8V171 P216V171-E218 HydrophobicContact CG1-CB 4.36Å; P216-E218 PolarHBondContact O-N 3.09Å; P216-E218 VanDerWaalsContact O-N 3.13Å
219L77.8Confident83.2Confident10 Ų1048 Ų485%0.05223%0.226CC..G310 helixtrans-85-19.6179.2-61.5179.3000112.3V171 M174 Q175 L210 P216 L217V171-L219 HydrophobicContact CG1-CD1 4.47Å; V171-L219 HydrophobicContact CG1-CD2 4.1Å; V171-L219 HydrophobicContact CG1-CG 4.11Å; M174-L219 HydrophobicContact CB-CD1 3.72Å; M174-L219 HydrophobicContact CB-CD2 4.33Å; Q175-L219 HydrophobicContact CB-CD2 4.12Å; Q175-L219 HydrophobicContact CG-CD2 3.32Å; L210-L219 HydrophobicContact CD1-CD1 4.48Å; L210-L219 HydrophobicContact CD2-CD1 3.92Å; P216-L219 HydrophobicContact CB-CB 4.42Å; P216-L219 HydrophobicContact CB-CD1 3.79Å; P216-L219 HydrophobicContact CB-CG 3.95Å; P216-L219 HydrophobicContact CG-CD1 3.95Å; P216-L219 WeakPolarHBondContact O-CB 3.26Å; P216-L219 PolarHBondContact O-N 2.58Å; L217-L219 PolarHBondContact O-N 2.84Å
220I78.5Confident83.3Confident29 Ų2952.1 Ų52.115%0.14924%0.244CC..  trans-109.496.2-168.3-56.7-175.7000109.5F211 L215 L217 L225 F288F211-I220 HydrophobicContact CE1-CD1 4.14Å; F211-I220 HydrophobicContact CZ-CD1 4.42Å; L215-I220 HydrophobicContact CD1-CD1 3.23Å; L215-I220 HydrophobicContact CD2-CD1 3.9Å; L215-I220 HydrophobicContact CG-CD1 3.46Å; L215-I220 VanDerWaalsContact CG-CD1 3.46Å; L217-I220 PolarHBondContact O-N 2.9Å; L217-I220 VanDerWaalsContact O-N 3.11Å; I220-L225 HydrophobicContact CG2-CB 3.96Å; I220-L225 HydrophobicContact CG2-CD1 4.15Å; I220-L225 HydrophobicContact CG2-CD2 4.22Å; I220-L225 HydrophobicContact CG2-CG 4.34Å; I220-F288 HydrophobicContact CG2-CD2 4.3Å; I220-F288 HydrophobicContact CG2-CE2 3.97Å
221N78.5Confident83.4Confident79 Ų7952.5 Ų52.542%0.42225%0.246SC..  trans-96.2161.9162.169.345.8000110.3Q223 N224 L225N221-Q223 PolarHBondContact O-N 2.69Å; N221-Q223 VanDerWaalsContact O-N 3.15Å; N221-Q223 WeakPolarHBondContact OD1-CB 3.37Å; N221-Q223 PolarHBondContact OD1-N 3.17Å; N221-Q223 VanDerWaalsContact OD1-N 3.1Å; N221-N224 PolarHBondContact ND2-ND2 3.07Å; N221-N224 PolarHBondContact O-N 3.08Å; N221-N224 WeakPolarHBondContact OD1-CB 3.33Å; N221-N224 VanDerWaalsContact OD1-CG 3.3Å; N221-N224 PolarHBondContact OD1-N 2.97Å; N221-L225 WeakPolarHBondContact O-CB 3.39Å; N221-L225 PolarHBondContact O-N 3.35Å
222R76.8Confident83.6Confident185 Ų18551.8 Ų51.870%0.69824%0.243SC*.Hα-helixtrans-53.6-37.2-178.9-174.7177.1-177.4-152.51113.3T226 L291 Y296R222-T226 PolarHBondContact O-N 3.03Å; R222-T226 PolarHBondContact O-OG1 2.96Å; R222-L291 HydrophobicContact CG-CD1 4.15Å; R222-Y296 PolarHBondContact O-OH 3.34Å
223Q81.2Confident83.8Confident132 Ų13252.1 Ų52.162%0.61724%0.244SC*.Hα-helixtrans-70.7-51.6-178.4-177.3177.2-7.300111.6N221 L225 T226 E227N221-Q223 PolarHBondContact O-N 2.69Å; N221-Q223 VanDerWaalsContact O-N 3.15Å; N221-Q223 WeakPolarHBondContact OD1-CB 3.37Å; N221-Q223 PolarHBondContact OD1-N 3.17Å; N221-Q223 VanDerWaalsContact OD1-N 3.1Å; Q223-L225 VanDerWaalsContact C-N 3.29Å; Q223-L225 PolarHBondContact O-N 2.89Å; Q223-T226 WeakPolarHBondContact O-CB 3.48Å; Q223-T226 PolarHBondContact O-N 2.81Å; Q223-E227 PolarHBondContact NE2-OE1 2.87Å; Q223-E227 WeakPolarHBondContact O-CG 3.48Å; Q223-E227 PolarHBondContact O-N 3.11Å
224N82.6Confident84.2Confident39 Ų3951.6 Ų51.621%0.20925%0.25CC..Hα-helixtrans-58.9-42.6177.7-71.5-4.6000111N221 E227 W228N221-N224 PolarHBondContact ND2-ND2 3.07Å; N221-N224 PolarHBondContact O-N 3.08Å; N221-N224 WeakPolarHBondContact OD1-CB 3.33Å; N221-N224 VanDerWaalsContact OD1-CG 3.3Å; N221-N224 PolarHBondContact OD1-N 2.97Å; N224-E227 PolarHBondContact O-N 3.42Å; N224-W228 VanDerWaalsContact O-CD1 3.26Å; N224-W228 PolarHBondContact O-N 3.16Å
225L83.2Confident84.5Confident12 Ų1250.2 Ų50.26%0.06324%0.242CC..Hα-helixtrans-62-46.5176.4-175.563.2000111.3I220 N221 Q223 E227 W228 M229 F288 L291 Y296I220-L225 HydrophobicContact CG2-CB 3.96Å; I220-L225 HydrophobicContact CG2-CD1 4.15Å; I220-L225 HydrophobicContact CG2-CD2 4.22Å; I220-L225 HydrophobicContact CG2-CG 4.34Å; N221-L225 WeakPolarHBondContact O-CB 3.39Å; N221-L225 PolarHBondContact O-N 3.35Å; Q223-L225 VanDerWaalsContact C-N 3.29Å; Q223-L225 PolarHBondContact O-N 2.89Å; L225-E227 VanDerWaalsContact C-N 3.29Å; L225-E227 PolarHBondContact O-N 2.94Å; L225-W228 PolarHBondContact O-N 3.45Å; L225-M229 HydrophobicContact CD1-CG 4.13Å; L225-M229 HydrophobicContact CG-CG 4.27Å; L225-M229 WeakPolarHBondContact O-CB 3.34Å; L225-M229 WeakPolarHBondContact O-CG 3.37Å; L225-M229 PolarHBondContact O-N 3.47Å; L225-F288 HydrophobicContact CD1-CE2 3.99Å; L225-F288 HydrophobicContact CD1-CZ 4.31Å; L225-F288 HydrophobicContact CD2-CD2 4.14Å; L225-F288 HydrophobicContact CD2-CE2 3.48Å; L225-F288 VanDerWaalsContact CD2-CE2 3.48Å; L225-F288 HydrophobicContact CD2-CZ 4.26Å; L225-F288 HydrophobicContact CG-CE2 4.38Å; L225-L291 HydrophobicContact CD2-CD2 3.7Å; L225-Y296 HydrophobicContact CD2-CD2 4.27Å; L225-Y296 HydrophobicContact CD2-CE2 3.57Å; L225-Y296 HydrophobicContact CG-CD2 4.45Å; L225-Y296 HydrophobicContact CG-CE2 3.84Å
226T86.6Confident84.7Confident53 Ų5350.3 Ų50.333%0.32524%0.243SC..Hα-helixtrans-56-47.1177.4-560000110.9R222 Q223 M229 E230 Y296R222-T226 PolarHBondContact O-N 3.03Å; R222-T226 PolarHBondContact O-OG1 2.96Å; Q223-T226 WeakPolarHBondContact O-CB 3.48Å; Q223-T226 PolarHBondContact O-N 2.81Å; T226-M229 PolarHBondContact O-N 2.82Å; T226-E230 PolarHBondContact O-N 3.15Å; T226-Y296 HydrophobicContact CG2-CE1 4.17Å; T226-Y296 PolarHBondContact OG1-OH 3Å
227E87.9Confident85Confident57 Ų5753.1 Ų53.127%0.26626%0.257SS..Hα-helixtrans-64.9-45-178.2-68.5171.6175.900111.9K182 Q223 N224 L225 E230 I231K182-E227 HydrophobicContact CD-CB 4.08Å; K182-E227 WeakPolarHBondContact CD-OE2 3.26Å; K182-E227 WeakPolarHBondContact CE-OE2 3.26Å; K182-E227 IonicContact NZ-OE1 3.36Å; K182-E227 IonicContact NZ-OE2 3.5Å; K182-E227 PolarHBondContact NZ-OE2 3.25Å; Q223-E227 PolarHBondContact NE2-OE1 2.87Å; Q223-E227 WeakPolarHBondContact O-CG 3.48Å; Q223-E227 PolarHBondContact O-N 3.11Å; N224-E227 PolarHBondContact O-N 3.42Å; L225-E227 VanDerWaalsContact C-N 3.29Å; L225-E227 PolarHBondContact O-N 2.94Å; E227-E230 PolarHBondContact O-N 3.32Å; E227-I231 WeakPolarHBondContact O-CG1 3.49Å; E227-I231 PolarHBondContact O-N 2.78Å
228W89.8Confident85.3Confident18 Ų1852 Ų527%0.06825%0.248CC..Hα-helixtrans-65.3-39.3175.9-81.4116.4000112.7L181 K182 F185 I203 L207 N224 L225 E230 I231 L232L181-W228 HydrophobicContact CB-CH2 4.18Å; L181-W228 HydrophobicContact CB-CZ2 4.26Å; K182-W228 HydrophobicContact CB-CH2 4.04Å; K182-W228 HydrophobicContact CB-CZ2 3.62Å; K182-W228 HydrophobicContact CG-CZ2 4.46Å; F185-W228 HydrophobicContact CD2-CZ3 4.48Å; I203-W228 HydrophobicContact CG2-CH2 4.07Å; I203-W228 HydrophobicContact CG2-CZ3 4.49Å; L207-W228 HydrophobicContact CD1-CD2 4.05Å; L207-W228 HydrophobicContact CD1-CE3 3.63Å; L207-W228 HydrophobicContact CD1-CH2 3.62Å; L207-W228 HydrophobicContact CD1-CZ2 4Å; L207-W228 HydrophobicContact CD1-CZ3 3.42Å; L207-W228 VanDerWaalsContact CD1-CZ3 3.42Å; L207-W228 HydrophobicContact CD2-CZ2 4.27Å; N224-W228 VanDerWaalsContact O-CD1 3.26Å; N224-W228 PolarHBondContact O-N 3.16Å; L225-W228 PolarHBondContact O-N 3.45Å; W228-E230 VanDerWaalsContact C-N 3.34Å; W228-E230 PolarHBondContact O-N 3.31Å; W228-I231 HydrophobicContact CD2-CD1 4.49Å; W228-I231 HydrophobicContact CE3-CB 4.39Å; W228-I231 HydrophobicContact CE3-CD1 3.91Å; W228-I231 HydrophobicContact CE3-CG2 4.37Å; W228-I231 HydrophobicContact CZ3-CD1 4.07Å; W228-I231 HydrophobicContact CZ3-CG2 4.39Å; W228-I231 PolarHBondContact O-N 2.82Å; W228-L232 VanDerWaalsContact O-CG 3.29Å; W228-L232 WeakPolarHBondContact O-CG 3.46Å; W228-L232 PolarHBondContact O-N 3.06Å
229M88.3Confident85.3Confident1 Ų149.4 Ų49.41%0.00524%0.239CC..Hα-helixtrans-63.9-39.1176.1-69.8-57.8-71.300111.8L225 T226 L232 K233 L268 L271 F292 Y296L225-M229 HydrophobicContact CD1-CG 4.13Å; L225-M229 HydrophobicContact CG-CG 4.27Å; L225-M229 WeakPolarHBondContact O-CB 3.34Å; L225-M229 WeakPolarHBondContact O-CG 3.37Å; L225-M229 PolarHBondContact O-N 3.47Å; T226-M229 PolarHBondContact O-N 2.82Å; M229-L232 PolarHBondContact O-N 3.03Å; M229-L232 HydrophobicContact SD-CD1 4.04Å; M229-K233 WeakPolarHBondContact O-CB 3.42Å; M229-K233 VanDerWaalsContact O-CG 3.26Å; M229-K233 WeakPolarHBondContact O-CG 3.45Å; M229-K233 PolarHBondContact O-N 3.41Å; M229-L268 HydrophobicContact CE-CD2 3.36Å; M229-L268 HydrophobicContact SD-CD2 3.87Å; M229-L271 HydrophobicContact SD-CD1 4.23Å; M229-F292 HydrophobicContact CE-CD2 4.39Å; M229-F292 HydrophobicContact CE-CE2 3.49Å; M229-F292 VanDerWaalsContact CE-CE2 3.49Å; M229-F292 HydrophobicContact CE-CZ 3.98Å; M229-F292 HydrophobicContact SD-CE2 3.96Å; M229-Y296 HydrophobicContact CB-CD1 4.04Å; M229-Y296 HydrophobicContact CB-CG 4.27Å; M229-Y296 HydrophobicContact CE-CG 4.35Å; M229-Y296 HydrophobicContact CG-CD1 4.16Å; M229-Y296 HydrophobicContact CG-CD2 4.21Å; M229-Y296 HydrophobicContact CG-CG 3.95Å
230E89.6Confident85.5Confident87 Ų8750.4 Ų50.441%0.40725%0.245SC..Hα-helixtrans-67.1-36.9173.6-72.4-57.415800112.6T226 E227 W228 K233 T234T226-E230 PolarHBondContact O-N 3.15Å; E227-E230 PolarHBondContact O-N 3.32Å; W228-E230 VanDerWaalsContact C-N 3.34Å; W228-E230 PolarHBondContact O-N 3.31Å; E230-K233 IonicContact OE1-NZ 3.42Å; E230-K233 PolarHBondContact OE1-NZ 3.22Å; E230-K233 IonicContact OE2-NZ 2.83Å; E230-K233 PolarHBondContact OE2-NZ 3.49Å; E230-T234 VanDerWaalsContact O-CB 3.3Å; E230-T234 WeakPolarHBondContact O-CB 3.39Å; E230-T234 PolarHBondContact O-N 2.85Å; E230-T234 PolarHBondContact O-OG1 2.77Å
231I90.9Very high85.4Confident9 Ų950.4 Ų50.45%0.04625%0.247CC..Hα-helixtrans-62.1-49.5173.4-70.1167.2000110.6K182 F185 I186 F204 E227 W228 K233 T234 V235K182-I231 HydrophobicContact CG-CD1 3.79Å; F185-I231 HydrophobicContact CD1-CG2 3.42Å; F185-I231 VanDerWaalsContact CD1-CG2 3.42Å; F185-I231 HydrophobicContact CE1-CG2 3.47Å; F185-I231 VanDerWaalsContact CE1-CG2 3.47Å; F185-I231 HydrophobicContact CG-CG2 4.02Å; F185-I231 HydrophobicContact CZ-CG2 4.08Å; I186-I231 HydrophobicContact CD1-CD1 4.38Å; I186-I231 HydrophobicContact CG1-CD1 4.06Å; I186-I231 HydrophobicContact CG1-CG1 4.45Å; F204-I231 HydrophobicContact CE1-CG2 4.07Å; F204-I231 HydrophobicContact CZ-CG2 4.01Å; E227-I231 WeakPolarHBondContact O-CG1 3.49Å; E227-I231 PolarHBondContact O-N 2.78Å; W228-I231 HydrophobicContact CD2-CD1 4.49Å; W228-I231 HydrophobicContact CE3-CB 4.39Å; W228-I231 HydrophobicContact CE3-CD1 3.91Å; W228-I231 HydrophobicContact CE3-CG2 4.37Å; W228-I231 HydrophobicContact CZ3-CD1 4.07Å; W228-I231 HydrophobicContact CZ3-CG2 4.39Å; W228-I231 PolarHBondContact O-N 2.82Å; I231-K233 PolarHBondContact O-N 2.83Å; I231-T234 PolarHBondContact O-N 3.1Å; I231-V235 WeakPolarHBondContact O-CG2 3.45Å; I231-V235 PolarHBondContact O-N 3.33Å
232L90.9Very high85.1Confident5 Ų550.9 Ų50.93%0.02626%0.255CS..Hα-helixtrans-57.5-49.5178.8-70.2167.5000110.7F204 W228 M229 T234 V235 V236 A264 I267 L268F204-L232 HydrophobicContact CD1-CD2 4.1Å; F204-L232 HydrophobicContact CE1-CD2 3.61Å; F204-L232 HydrophobicContact CE1-CG 4.43Å; F204-L232 HydrophobicContact CZ-CD2 3.83Å; W228-L232 VanDerWaalsContact O-CG 3.29Å; W228-L232 WeakPolarHBondContact O-CG 3.46Å; W228-L232 PolarHBondContact O-N 3.06Å; M229-L232 PolarHBondContact O-N 3.03Å; M229-L232 HydrophobicContact SD-CD1 4.04Å; L232-T234 PolarHBondContact O-N 3.12Å; L232-V235 PolarHBondContact O-N 2.59Å; L232-V236 VanDerWaalsContact O-CG2 3.3Å; L232-V236 WeakPolarHBondContact O-CG2 3.31Å; L232-V236 PolarHBondContact O-N 3.43Å; L232-A264 HydrophobicContact CD2-CB 3.91Å; L232-I267 HydrophobicContact CD1-CB 4.48Å; L232-I267 HydrophobicContact CD1-CG2 3.83Å; L232-I267 HydrophobicContact CD2-CB 4.25Å; L232-I267 HydrophobicContact CD2-CD1 4.09Å; L232-I267 HydrophobicContact CD2-CG2 4.36Å; L232-L268 HydrophobicContact CB-CD1 4.25Å; L232-L268 HydrophobicContact CB-CD2 4.09Å; L232-L268 HydrophobicContact CB-CG 4.17Å; L232-L268 HydrophobicContact CD1-CD2 3.86Å; L232-L268 HydrophobicContact CD1-CG 4.19Å
233K89.8Confident84.7Confident32 Ų3248 Ų4814%0.13925%0.249CC..Hα-helixtrans-57.7-46.8175.9-75.5168.463.1-144.20112.4M229 E230 I231 V235 V236 D237 A299 V303M229-K233 WeakPolarHBondContact O-CB 3.42Å; M229-K233 VanDerWaalsContact O-CG 3.26Å; M229-K233 WeakPolarHBondContact O-CG 3.45Å; M229-K233 PolarHBondContact O-N 3.41Å; E230-K233 IonicContact OE1-NZ 3.42Å; E230-K233 PolarHBondContact OE1-NZ 3.22Å; E230-K233 IonicContact OE2-NZ 2.83Å; E230-K233 PolarHBondContact OE2-NZ 3.49Å; I231-K233 PolarHBondContact O-N 2.83Å; K233-V235 VanDerWaalsContact C-N 3.32Å; K233-V235 PolarHBondContact O-N 3.27Å; K233-V236 PolarHBondContact O-N 2.91Å; K233-D237 WeakPolarHBondContact O-CB 3.31Å; K233-D237 PolarHBondContact O-N 2.97Å; K233-A299 HydrophobicContact CD-CB 4.18Å; K233-V303 HydrophobicContact CB-CG2 4.31Å; K233-V303 HydrophobicContact CG-CG2 4.38Å
234T90.3Very high84.2Confident68 Ų6842.4 Ų42.442%0.41722%0.224SC..Hα-helixtrans-61.1-41.1-178.9-58.90000111.4L189 E230 I231 L232 D237 R238L189-T234 HydrophobicContact CD2-CG2 4.49Å; E230-T234 VanDerWaalsContact O-CB 3.3Å; E230-T234 WeakPolarHBondContact O-CB 3.39Å; E230-T234 PolarHBondContact O-N 2.85Å; E230-T234 PolarHBondContact O-OG1 2.77Å; I231-T234 PolarHBondContact O-N 3.1Å; L232-T234 PolarHBondContact O-N 3.12Å; T234-D237 PolarHBondContact O-N 3.06Å; T234-R238 WeakPolarHBondContact O-CB 3.3Å; T234-R238 PolarHBondContact O-N 2.96Å
235V88.9Confident83.6Confident0 Ų044.7 Ų44.70%024%0.236CC..Hα-helixtrans-69.9-38178.6176.10000112F185 L189 F204 I231 L232 K233 A264F185-V235 HydrophobicContact CE1-CG2 3.59Å; F185-V235 HydrophobicContact CZ-CG2 3.77Å; L189-V235 HydrophobicContact CD2-CG2 3.95Å; F204-V235 HydrophobicContact CE2-CB 4.09Å; F204-V235 HydrophobicContact CE2-CG1 3.94Å; F204-V235 HydrophobicContact CE2-CG2 3.98Å; F204-V235 HydrophobicContact CZ-CB 4.28Å; F204-V235 HydrophobicContact CZ-CG2 3.9Å; I231-V235 WeakPolarHBondContact O-CG2 3.45Å; I231-V235 PolarHBondContact O-N 3.33Å; L232-V235 PolarHBondContact O-N 2.59Å; K233-V235 VanDerWaalsContact C-N 3.32Å; K233-V235 PolarHBondContact O-N 3.27Å; V235-A264 HydrophobicContact CG1-CB 4.48Å
236V87.4Confident83Confident3 Ų352 Ų522%0.01827%0.27CS..Hα-helixtrans-67.6-40.3176.1179.70000110.8L232 K233 R238 K261 A264 L265 L268 V303 L304 V307L232-V236 VanDerWaalsContact O-CG2 3.3Å; L232-V236 WeakPolarHBondContact O-CG2 3.31Å; L232-V236 PolarHBondContact O-N 3.43Å; K233-V236 PolarHBondContact O-N 2.91Å; V236-R238 VanDerWaalsContact C-N 3.33Å; V236-R238 PolarHBondContact O-N 2.75Å; V236-K261 PolarHBondContact O-NZ 2.69Å; V236-A264 HydrophobicContact CG2-CB 3.91Å; V236-L265 HydrophobicContact CG1-CD2 3.88Å; V236-L265 HydrophobicContact CG2-CD2 3.72Å; V236-L265 HydrophobicContact CG2-CG 4.11Å; V236-L268 HydrophobicContact CG2-CD1 4.3Å; V236-V303 HydrophobicContact CB-CG1 3.89Å; V236-V303 HydrophobicContact CG1-CG1 3.66Å; V236-L304 HydrophobicContact CG1-CD2 4.07Å; V236-V307 HydrophobicContact CG1-CG2 3.96Å
237D87.5Confident82.6Confident69 Ų6951.5 Ų51.537%0.36927%0.267SS..Hα-helixtrans-72.5-22.9179.8-169.145.7000113.8K233 T234 D239 V303 K306K233-D237 WeakPolarHBondContact O-CB 3.31Å; K233-D237 PolarHBondContact O-N 2.97Å; T234-D237 PolarHBondContact O-N 3.06Å; D237-D239 PolarHBondContact O-N 2.72Å; D237-V303 HydrophobicContact CB-CG1 3.75Å; D237-K306 PolarHBondContact O-NZ 3.02Å; D237-K306 WeakPolarHBondContact OD1-CD 3.4Å; D237-K306 WeakPolarHBondContact OD1-CE 3.41Å; D237-K306 IonicContact OD1-NZ 3.54Å; D237-K306 PolarHBondContact OD1-NZ 3.07Å; D237-K306 IonicContact OD2-NZ 3.19Å
238R86Confident82.1Confident48 Ų4854.3 Ų54.318%0.18128%0.283CS..SBendtrans-61.5126.7-178.6-171.9175.478.8-173.58.3111.5T234 V236 K261T234-R238 WeakPolarHBondContact O-CB 3.3Å; T234-R238 PolarHBondContact O-N 2.96Å; V236-R238 VanDerWaalsContact C-N 3.33Å; V236-R238 PolarHBondContact O-N 2.75Å; R238-K261 WeakPolarHBondContact O-CE 3.03Å; R238-K261 PolarHBondContact O-NZ 2.57Å
239D79.7Confident81.1Confident101 Ų10159 Ų5954%0.5431%0.306SS..PPolyproline II helixtrans-67.9146.2176-62.8-42.2000111.6D237 K306 Q310D237-D239 PolarHBondContact O-N 2.72Å; D239-K306 IonicContact OD1-NZ 3.56Å; D239-Q310 PolarHBondContact OD1-NE2 2.7Å
240V80.3Confident80.4Confident31 Ų3166.1 Ų66.119%0.18834%0.344CS..PPolyproline II helixtrans-84.6133177.5-174.10000108.6T244 W257 W258 K261V240-T244 HydrophobicContact CG1-CG2 3.91Å; V240-T244 VanDerWaalsContact CG1-OG1 3.28Å; V240-T244 WeakPolarHBondContact CG1-OG1 3.46Å; V240-W257 HydrophobicContact CG1-CB 3.91Å; V240-W257 HydrophobicContact CG1-CG 4.26Å; V240-W258 HydrophobicContact CB-CZ2 4.34Å; V240-W258 HydrophobicContact CG1-CZ2 4.48Å; V240-W258 HydrophobicContact CG2-CH2 3.99Å; V240-W258 HydrophobicContact CG2-CZ2 3.86Å; V240-W258 HydrophobicContact CG2-CZ3 4.39Å; V240-K261 HydrophobicContact CG2-CD 4.39Å
241P78.3Confident79.8Confident29 Ų2967.8 Ų67.819%0.18835%0.352CS..PPolyproline II helixtrans-59.4140.1-178.3-23.232.1000112.8E243 T244 W257P241-E243 WeakPolarHBondContact CB-OE2 3.48Å; P241-E243 PolarHBondContact O-N 2.73Å; P241-E243 VanDerWaalsContact O-N 3.15Å; P241-T244 WeakPolarHBondContact O-CB 3.45Å; P241-T244 WeakPolarHBondContact O-CG2 3.47Å; P241-T244 PolarHBondContact O-N 3.36Å; P241-T244 VanDerWaalsContact O-N 3.1Å; P241-T244 PolarHBondContact O-OG1 3.21Å; P241-W257 VanDerWaalsContact CD-CE3 3.47Å; P241-W257 HydrophobicContact CG-CD2 4.11Å; P241-W257 HydrophobicContact CG-CE3 4.16Å; P241-W257 HydrophobicContact CG-CH2 3.63Å; P241-W257 HydrophobicContact CG-CZ2 3.53Å; P241-W257 HydrophobicContact CG-CZ3 3.89Å
242P71.4Confident79.3Confident90 Ų9068.7 Ų68.758%0.58436%0.355SS*.G310 helixtrans-65.1-19-175.327.7-35.5000113.6T244 L245P242-T244 PolarHBondContact O-N 3.41Å; P242-L245 WeakPolarHBondContact O-CB 3.41Å; P242-L245 PolarHBondContact O-N 3.07Å
243E68.5Low78.8Confident123 Ų12370.4 Ų70.458%0.57537%0.366SS*.G310 helixtrans-61.5-26.1174.7-59.381-174.500112.2P241 L245 Q246P241-E243 WeakPolarHBondContact CB-OE2 3.48Å; P241-E243 PolarHBondContact O-N 2.73Å; P241-E243 VanDerWaalsContact O-N 3.15Å; E243-L245 PolarHBondContact O-N 3.34Å; E243-Q246 WeakPolarHBondContact O-CB 3.28Å; E243-Q246 PolarHBondContact O-N 3.42Å
244T70.2Confident78.3Confident16 Ų1674.6 Ų74.610%0.09839%0.386CS..G310 helixtrans-70-18.2178.263.10000113.8V240 P241 P242 Q246 L255V240-T244 HydrophobicContact CG1-CG2 3.91Å; V240-T244 VanDerWaalsContact CG1-OG1 3.28Å; V240-T244 WeakPolarHBondContact CG1-OG1 3.46Å; P241-T244 WeakPolarHBondContact O-CB 3.45Å; P241-T244 WeakPolarHBondContact O-CG2 3.47Å; P241-T244 PolarHBondContact O-N 3.36Å; P241-T244 VanDerWaalsContact O-N 3.1Å; P241-T244 PolarHBondContact O-OG1 3.21Å; P242-T244 PolarHBondContact O-N 3.41Å; T244-Q246 VanDerWaalsContact C-N 3.28Å; T244-Q246 PolarHBondContact O-N 3.15Å; T244-L255 HydrophobicContact CG2-CD1 4Å
245L70.5Confident78Confident87 Ų8773 Ų7346%0.45538%0.375SS..G310 helixtrans-80.2-9177.7-62.6170.2000112.8P242 E243 V247 R252P242-L245 WeakPolarHBondContact O-CB 3.41Å; P242-L245 PolarHBondContact O-N 3.07Å; E243-L245 PolarHBondContact O-N 3.34Å; L245-V247 VanDerWaalsContact C-N 3.3Å; L245-R252 PolarHBondContact O-NH2 3.45Å
246Q71.4Confident77.8Confident165 Ų16574.5 Ų74.577%0.77139%0.385SS*.G310 helixtrans-80.4-13.5177.9-60.8-179.99.300113.1E243 T244E243-Q246 WeakPolarHBondContact O-CB 3.28Å; E243-Q246 PolarHBondContact O-N 3.42Å; T244-Q246 VanDerWaalsContact C-N 3.28Å; T244-Q246 PolarHBondContact O-N 3.15Å
247V77.9Confident77.7Confident43 Ų4375.3 Ų75.326%0.26139%0.388SS..SBendtrans-82.2149.2175.7-179.10000109L245 E251 R252 L255L245-V247 VanDerWaalsContact C-N 3.3Å; V247-E251 HydrophobicContact CG1-CB 3.55Å; V247-R252 HydrophobicContact CB-CG 4.33Å; V247-R252 PolarHBondContact O-NE 2.88Å; V247-R252 PolarHBondContact O-NH2 3.38Å; V247-L255 HydrophobicContact CG2-CD2 4.44Å
248D75.8Confident77.7Confident115 Ų11572.7 Ų72.762%0.61537%0.372SS*.  trans-56.8145.8176.9-66.8-32.7000111.1D250 E251 R252D248-D250 PolarHBondContact O-N 3.27Å; D248-D250 VanDerWaalsContact O-N 3.14Å; D248-E251 PolarHBondContact O-N 3.31Å; D248-E251 VanDerWaalsContact O-N 3.07Å; D248-R252 WeakPolarHBondContact O-CG 3.41Å; D248-R252 PolarHBondContact O-N 2.93Å
249E70.3Confident77.7Confident118 Ų11872.3 Ų72.355%0.55137%0.372SS*.THydrogen-bonded Turntrans-58.9-33-168.1-46.6-137.5131.300113R252 P253 Y316E249-R252 VanDerWaalsContact CD-NH1 3.28Å; E249-R252 PolarHBondContact O-N 2.96Å; E249-R252 IonicContact OE1-CZ 3.42Å; E249-R252 IonicContact OE1-NH1 3.26Å; E249-R252 PolarHBondContact OE1-NH1 2.87Å; E249-R252 IonicContact OE1-NH2 3.14Å; E249-R252 PolarHBondContact OE1-NH2 2.97Å; E249-P253 WeakPolarHBondContact O-CD 3.29Å; E249-Y316 PolarHBondContact O-OH 3.26Å
250D72.5Confident78.2Confident149 Ų14967.5 Ų67.580%0.79735%0.347SS*.THydrogen-bonded Turntrans-74.4-28.5-178.7-53.4-36.2000113D248 P253D248-D250 PolarHBondContact O-N 3.27Å; D248-D250 VanDerWaalsContact O-N 3.14Å; D250-P253 WeakPolarHBondContact O-CD 3.25Å
251E77.4Confident78.7Confident123 Ų12366.4 Ų66.458%0.57534%0.339SS*.THydrogen-bonded Turntrans-88.8-15.9178.1-70.1-171.2176.600112.4V247 D248 P253 E254V247-E251 HydrophobicContact CG1-CB 3.55Å; D248-E251 PolarHBondContact O-N 3.31Å; D248-E251 VanDerWaalsContact O-N 3.07Å; E251-P253 VanDerWaalsContact C-CD 3.48Å; E251-E254 WeakPolarHBondContact O-CB 3.42Å; E251-E254 PolarHBondContact O-N 3.02Å; E251-E254 VanDerWaalsContact O-N 3.11Å
252R80.2Confident79.2Confident28 Ų2867.5 Ų67.511%0.10634%0.341CS..G310 helixtrans-58.6-41.5179.6-72.6172.9-163.11626114.1L245 V247 D248 E249 E254 L255 Y316L245-R252 PolarHBondContact O-NH2 3.45Å; V247-R252 HydrophobicContact CB-CG 4.33Å; V247-R252 PolarHBondContact O-NE 2.88Å; V247-R252 PolarHBondContact O-NH2 3.38Å; D248-R252 WeakPolarHBondContact O-CG 3.41Å; D248-R252 PolarHBondContact O-N 2.93Å; E249-R252 VanDerWaalsContact CD-NH1 3.28Å; E249-R252 PolarHBondContact O-N 2.96Å; E249-R252 IonicContact OE1-CZ 3.42Å; E249-R252 IonicContact OE1-NH1 3.26Å; E249-R252 PolarHBondContact OE1-NH1 2.87Å; E249-R252 IonicContact OE1-NH2 3.14Å; E249-R252 PolarHBondContact OE1-NH2 2.97Å; R252-E254 PolarHBondContact O-N 2.94Å; R252-L255 HydrophobicContact CB-CD1 4.45Å; R252-L255 HydrophobicContact CG-CD1 4.49Å; R252-L255 VanDerWaalsContact O-CB 3.3Å; R252-L255 WeakPolarHBondContact O-CB 3.47Å; R252-L255 VanDerWaalsContact O-CG 3.3Å; R252-L255 WeakPolarHBondContact O-CG 3.17Å; R252-L255 PolarHBondContact O-N 2.9Å; R252-L255 VanDerWaalsContact O-N 3.13Å; R252-Y316 HydrophobicContact CB-CE1 3.67Å; R252-Y316 WeakPolarHBondContact CB-OH 3.37Å; R252-Y316 HydrophobicContact CG-CE1 4.41Å
253P79.9Confident80.2Confident41 Ų4165 Ų6527%0.26632%0.32SS..G310 helixtrans-59-27.3176.7-23.234.4000113E249 D250 E251 L255 Y316E249-P253 WeakPolarHBondContact O-CD 3.29Å; D250-P253 WeakPolarHBondContact O-CD 3.25Å; E251-P253 VanDerWaalsContact C-CD 3.48Å; P253-L255 VanDerWaalsContact C-N 3.25Å; P253-L255 PolarHBondContact O-N 3.49Å; P253-Y316 VanDerWaalsContact CD-OH 3.3Å; P253-Y316 WeakPolarHBondContact CD-OH 3.44Å; P253-Y316 WeakPolarHBondContact CG-OH 3.38Å
254E79.6Confident81.3Confident119 Ų11959.1 Ų59.156%0.55629%0.293SS*.G310 helixtrans-77.6-10.6-178.2-70.1-62.595.800113.6E251 R252 K259E251-E254 WeakPolarHBondContact O-CB 3.42Å; E251-E254 PolarHBondContact O-N 3.02Å; E251-E254 VanDerWaalsContact O-N 3.11Å; R252-E254 PolarHBondContact O-N 2.94Å; E254-K259 VanDerWaalsContact CD-NZ 3.29Å; E254-K259 WeakPolarHBondContact O-CD 3.38Å; E254-K259 VanDerWaalsContact O-CE 3.28Å; E254-K259 WeakPolarHBondContact O-CE 3.14Å; E254-K259 PolarHBondContact O-NZ 3.46Å; E254-K259 VanDerWaalsContact OE1-CE 3.3Å; E254-K259 WeakPolarHBondContact OE1-CE 3.45Å; E254-K259 IonicContact OE1-NZ 2.82Å; E254-K259 WeakPolarHBondContact OE2-CE 3.32Å; E254-K259 IonicContact OE2-NZ 3.48Å; E254-K259 PolarHBondContact OE2-NZ 2.6Å
255L84.7Confident82.2Confident35 Ų3558.5 Ų58.518%0.18329%0.289CS..SBendtrans-64.3144178.8-63.9174.6000112T244 V247 R252 P253 W257 W258 K259T244-L255 HydrophobicContact CG2-CD1 4Å; V247-L255 HydrophobicContact CG2-CD2 4.44Å; R252-L255 HydrophobicContact CB-CD1 4.45Å; R252-L255 HydrophobicContact CG-CD1 4.49Å; R252-L255 VanDerWaalsContact O-CB 3.3Å; R252-L255 WeakPolarHBondContact O-CB 3.47Å; R252-L255 VanDerWaalsContact O-CG 3.3Å; R252-L255 WeakPolarHBondContact O-CG 3.17Å; R252-L255 PolarHBondContact O-N 2.9Å; R252-L255 VanDerWaalsContact O-N 3.13Å; P253-L255 VanDerWaalsContact C-N 3.25Å; P253-L255 PolarHBondContact O-N 3.49Å; L255-W257 PolarHBondContact O-N 2.96Å; L255-W257 VanDerWaalsContact O-N 3.09Å; L255-W258 PolarHBondContact O-N 3.33Å; L255-K259 PolarHBondContact O-N 2.82Å; L255-K259 VanDerWaalsContact O-N 3.08Å
256P84.1Confident83Confident31 Ų3155.3 Ų55.320%0.20127%0.271CS..Hα-helixtrans-54.2-33.9-180-28.435.2000114V197 C260V197-P256 HydrophobicContact CB-CB 4.26Å; V197-P256 HydrophobicContact CG1-CB 3.92Å; V197-P256 WeakPolarHBondContact CG1-O 3.19Å; P256-C260 VanDerWaalsContact O-CB 3.23Å; P256-C260 WeakPolarHBondContact O-CB 3.19Å; P256-C260 PolarHBondContact O-N 2.83Å
257W86.3Confident83.9Confident21 Ų2147.6 Ų47.68%0.0824%0.235CC..Hα-helixtrans-63.9-51.6-179.5-66.788.7000112.8P192 V197 V240 P241 L255 C260 K261P192-W257 HydrophobicContact CB-CH2 4.35Å; P192-W257 WeakPolarHBondContact O-CZ2 3.45Å; V197-W257 HydrophobicContact CG1-CD2 4.32Å; V197-W257 HydrophobicContact CG1-CG 4.35Å; V197-W257 HydrophobicContact CG2-CD2 4.06Å; V197-W257 HydrophobicContact CG2-CE3 4.32Å; V197-W257 HydrophobicContact CG2-CH2 3.9Å; V197-W257 HydrophobicContact CG2-CZ2 3.61Å; V197-W257 HydrophobicContact CG2-CZ3 4.29Å; V240-W257 HydrophobicContact CG1-CB 3.91Å; V240-W257 HydrophobicContact CG1-CG 4.26Å; P241-W257 VanDerWaalsContact CD-CE3 3.47Å; P241-W257 HydrophobicContact CG-CD2 4.11Å; P241-W257 HydrophobicContact CG-CE3 4.16Å; P241-W257 HydrophobicContact CG-CH2 3.63Å; P241-W257 HydrophobicContact CG-CZ2 3.53Å; P241-W257 HydrophobicContact CG-CZ3 3.89Å; L255-W257 PolarHBondContact O-N 2.96Å; L255-W257 VanDerWaalsContact O-N 3.09Å; W257-C260 PolarHBondContact O-N 3.42Å; W257-K261 PolarHBondContact O-N 3.34Å; W257-K261 VanDerWaalsContact O-N 3.08Å
258W87.3Confident84.5Confident13 Ų1345.7 Ų45.75%0.04922%0.224CC..Hα-helixtrans-67.5-40.2177.9-70.2115.1000111.4V240 L255 C260 K261 K262 Y316 V317 A318 V321V240-W258 HydrophobicContact CB-CZ2 4.34Å; V240-W258 HydrophobicContact CG1-CZ2 4.48Å; V240-W258 HydrophobicContact CG2-CH2 3.99Å; V240-W258 HydrophobicContact CG2-CZ2 3.86Å; V240-W258 HydrophobicContact CG2-CZ3 4.39Å; L255-W258 PolarHBondContact O-N 3.33Å; W258-C260 VanDerWaalsContact C-N 3.33Å; W258-C260 PolarHBondContact O-N 2.68Å; W258-K261 HydrophobicContact CZ3-CD 4.4Å; W258-K261 PolarHBondContact O-N 2.85Å; W258-K262 WeakPolarHBondContact O-CB 3.44Å; W258-K262 PolarHBondContact O-N 3.45Å; W258-Y316 AromaticContact CE2-CD1 3.89Å; W258-Y316 AromaticContact CE2-CE1 3.88Å; W258-Y316 WeakPolarHBondContact CH2-O 3.2Å; W258-Y316 AromaticContact CZ2-CD1 3.69Å; W258-Y316 HydrophobicContact CZ2-CD1 3.69Å; W258-Y316 HydrophobicContact CZ2-CE1 4.13Å; W258-Y316 VanDerWaalsContact CZ2-O 3.26Å; W258-Y316 WeakPolarHBondContact CZ2-O 3.24Å; W258-Y316 AromaticContact NE1-CD1 3.93Å; W258-Y316 AromaticContact NE1-CE1 3.73Å; W258-V317 HydrophobicContact CH2-CB 4.38Å; W258-V317 HydrophobicContact CH2-CG1 4.48Å; W258-V317 HydrophobicContact CH2-CG2 4.49Å; W258-V317 HydrophobicContact CZ3-CB 4.48Å; W258-V317 HydrophobicContact CZ3-CG1 4.11Å; W258-A318 HydrophobicContact CB-CB 3.96Å; W258-A318 HydrophobicContact CD2-CB 3.69Å; W258-A318 HydrophobicContact CE3-CB 3.57Å; W258-A318 HydrophobicContact CG-CB 3.87Å; W258-A318 HydrophobicContact CZ3-CB 4.33Å; W258-V321 HydrophobicContact CE3-CG2 4.08Å; W258-V321 HydrophobicContact CZ3-CG1 4.39Å
259K86.4Confident85.1Confident41 Ų4140.6 Ų40.618%0.17820%0.198CC..Hα-helixtrans-59.9-40.6172.5-75.9176.3171.81540112.6K201 E254 L255 K262 W263K201-K259 HydrophobicContact CD-CB 4.22Å; K201-K259 HydrophobicContact CG-CB 4.15Å; E254-K259 VanDerWaalsContact CD-NZ 3.29Å; E254-K259 WeakPolarHBondContact O-CD 3.38Å; E254-K259 VanDerWaalsContact O-CE 3.28Å; E254-K259 WeakPolarHBondContact O-CE 3.14Å; E254-K259 PolarHBondContact O-NZ 3.46Å; E254-K259 VanDerWaalsContact OE1-CE 3.3Å; E254-K259 WeakPolarHBondContact OE1-CE 3.45Å; E254-K259 IonicContact OE1-NZ 2.82Å; E254-K259 WeakPolarHBondContact OE2-CE 3.32Å; E254-K259 IonicContact OE2-NZ 3.48Å; E254-K259 PolarHBondContact OE2-NZ 2.6Å; L255-K259 PolarHBondContact O-N 2.82Å; L255-K259 VanDerWaalsContact O-N 3.08Å; K259-K262 WeakPolarHBondContact O-CB 3.11Å; K259-K262 PolarHBondContact O-N 3.47Å; K259-W263 PolarHBondContact O-N 2.98Å; K259-W263 VanDerWaalsContact O-N 3.15Å
260C89.3Confident85.8Confident0 Ų038.3 Ų38.30%018%0.184CC..Hα-helixtrans-65.5-47.5178.6-170.20000111.2V197 K201 P256 W257 W258 K262 W263 A264V197-C260 HydrophobicContact CG1-CB 3.81Å; K201-C260 HydrophobicContact CB-CB 4.08Å; P256-C260 VanDerWaalsContact O-CB 3.23Å; P256-C260 WeakPolarHBondContact O-CB 3.19Å; P256-C260 PolarHBondContact O-N 2.83Å; W257-C260 PolarHBondContact O-N 3.42Å; W258-C260 VanDerWaalsContact C-N 3.33Å; W258-C260 PolarHBondContact O-N 2.68Å; C260-K262 VanDerWaalsContact C-N 3.34Å; C260-K262 PolarHBondContact O-N 3.06Å; C260-W263 PolarHBondContact O-N 3.26Å; C260-A264 PolarHBondContact O-N 3.36Å; C260-A264 VanDerWaalsContact O-N 3.1Å
261K90.4Very high86.6Confident7 Ų731.5 Ų31.53%0.0315%0.147CC..Hα-helixtrans-59.7-42.8174-73-165.4174.1-147.20112.4V236 R238 V240 W257 W258 W263 A264 L265 V321V236-K261 PolarHBondContact O-NZ 2.69Å; R238-K261 WeakPolarHBondContact O-CE 3.03Å; R238-K261 PolarHBondContact O-NZ 2.57Å; V240-K261 HydrophobicContact CG2-CD 4.39Å; W257-K261 PolarHBondContact O-N 3.34Å; W257-K261 VanDerWaalsContact O-N 3.08Å; W258-K261 HydrophobicContact CZ3-CD 4.4Å; W258-K261 PolarHBondContact O-N 2.85Å; K261-W263 PolarHBondContact O-N 3.2Å; K261-A264 WeakPolarHBondContact O-CB 3.2Å; K261-A264 PolarHBondContact O-N 2.94Å; K261-L265 WeakPolarHBondContact O-CG 3.4Å; K261-L265 PolarHBondContact O-N 3.08Å; K261-V321 HydrophobicContact CB-CG2 4.18Å
262K89.9Confident87Confident53 Ų5325.7 Ų25.723%0.2312%0.12CC..Hα-helixtrans-53.5-52.4176-179.2-171.972.8172.30111.6W258 K259 C260 A264 L265 H266 R320 V321W258-K262 WeakPolarHBondContact O-CB 3.44Å; W258-K262 PolarHBondContact O-N 3.45Å; K259-K262 WeakPolarHBondContact O-CB 3.11Å; K259-K262 PolarHBondContact O-N 3.47Å; C260-K262 VanDerWaalsContact C-N 3.34Å; C260-K262 PolarHBondContact O-N 3.06Å; K262-A264 VanDerWaalsContact C-N 3.33Å; K262-A264 PolarHBondContact O-N 3.23Å; K262-L265 PolarHBondContact O-N 3.21Å; K262-H266 PolarHBondContact O-CD2 2.74Å; K262-H266 PolarHBondContact O-N 3.05Å; K262-R320 HydrophobicContact CD-CB 4.14Å; K262-R320 HydrophobicContact CD-CG 3.54Å; K262-R320 HydrophobicContact CG-CB 4.43Å; K262-R320 HydrophobicContact CG-CG 3.86Å; K262-V321 HydrophobicContact CB-CG2 4.18Å
263W90.9Very high87.2Confident37 Ų3728.9 Ų28.914%0.1414%0.136CC..Hα-helixtrans-67-34.2-178.8-74111.7000112.7F204 K205 Y208 K259 C260 K261 H266 I267F204-W263 HydrophobicContact CB-CB 3.7Å; K205-W263 HydrophobicContact CD-CZ2 3.88Å; K205-W263 HydrophobicContact CG-CD2 3.72Å; K205-W263 HydrophobicContact CG-CE3 4.37Å; K205-W263 HydrophobicContact CG-CG 4.01Å; K205-W263 HydrophobicContact CG-CH2 4.42Å; K205-W263 HydrophobicContact CG-CZ2 3.77Å; Y208-W263 HydrophobicContact CD1-CE3 4.06Å; Y208-W263 HydrophobicContact CD1-CH2 4.28Å; Y208-W263 AromaticContact CD1-CZ3 3.34Å; Y208-W263 HydrophobicContact CD1-CZ3 3.34Å; Y208-W263 HydrophobicContact CD2-CE3 4.47Å; Y208-W263 HydrophobicContact CD2-CZ3 4.4Å; Y208-W263 AromaticContact CE1-CZ3 3.79Å; Y208-W263 HydrophobicContact CE1-CZ3 3.79Å; Y208-W263 AromaticContact CG-CE3 3.88Å; Y208-W263 HydrophobicContact CG-CE3 3.88Å; Y208-W263 AromaticContact CG-CZ3 3.67Å; Y208-W263 HydrophobicContact CG-CZ3 3.67Å; K259-W263 PolarHBondContact O-N 2.98Å; K259-W263 VanDerWaalsContact O-N 3.15Å; C260-W263 PolarHBondContact O-N 3.26Å; K261-W263 PolarHBondContact O-N 3.2Å; W263-H266 HydrophobicContact CE3-CB 4.32Å; W263-H266 AromaticContact CZ3-ND1 3.98Å; W263-H266 PolarHBondContact O-N 3.42Å; W263-I267 VanDerWaalsContact O-CG1 3.32Å; W263-I267 WeakPolarHBondContact O-CG1 3.43Å; W263-I267 PolarHBondContact O-N 2.89Å; W263-I267 VanDerWaalsContact O-N 3.11Å
264A91.8Very high87.3Confident0 Ų032 Ų320%014%0.143CC..Hα-helixtrans-61.6-44.9173.100000111.6F204 L232 V235 V236 C260 K261 K262 I267 L268F204-A264 HydrophobicContact CD2-CB 4.02Å; F204-A264 HydrophobicContact CE2-CB 3.64Å; F204-A264 HydrophobicContact CZ-CB 4.18Å; L232-A264 HydrophobicContact CD2-CB 3.91Å; V235-A264 HydrophobicContact CG1-CB 4.48Å; V236-A264 HydrophobicContact CG2-CB 3.91Å; C260-A264 PolarHBondContact O-N 3.36Å; C260-A264 VanDerWaalsContact O-N 3.1Å; K261-A264 WeakPolarHBondContact O-CB 3.2Å; K261-A264 PolarHBondContact O-N 2.94Å; K262-A264 VanDerWaalsContact C-N 3.33Å; K262-A264 PolarHBondContact O-N 3.23Å; A264-I267 PolarHBondContact O-N 2.91Å; A264-L268 WeakPolarHBondContact O-CG 3.16Å; A264-L268 PolarHBondContact O-N 3.46Å; A264-L268 VanDerWaalsContact O-N 3.12Å
265L89.3Confident87.5Confident3 Ų326.5 Ų26.52%0.01612%0.117CC..Hα-helixtrans-67.8-40.1176.7-69-179.6000113V236 K261 K262 I267 L268 A269 L304 V321 Q324V236-L265 HydrophobicContact CG1-CD2 3.88Å; V236-L265 HydrophobicContact CG2-CD2 3.72Å; V236-L265 HydrophobicContact CG2-CG 4.11Å; K261-L265 WeakPolarHBondContact O-CG 3.4Å; K261-L265 PolarHBondContact O-N 3.08Å; K262-L265 PolarHBondContact O-N 3.21Å; L265-I267 VanDerWaalsContact C-N 3.28Å; L265-I267 PolarHBondContact O-N 3.35Å; L265-L268 HydrophobicContact CD2-CD1 4.39Å; L265-L268 PolarHBondContact O-N 3.21Å; L265-L268 VanDerWaalsContact O-N 3.15Å; L265-A269 WeakPolarHBondContact O-CB 3.48Å; L265-A269 PolarHBondContact O-N 2.99Å; L265-L304 HydrophobicContact CD2-CD2 3.17Å; L265-V321 HydrophobicContact CD1-CB 4.1Å; L265-V321 HydrophobicContact CD1-CG1 3.46Å; L265-V321 VanDerWaalsContact CD1-CG1 3.46Å; L265-V321 HydrophobicContact CD1-CG2 4.46Å; L265-V321 WeakPolarHBondContact CD1-O 3.01Å; L265-Q324 HydrophobicContact CB-CB 4Å; L265-Q324 HydrophobicContact CD1-CB 4.38Å
266H88.4Confident87.3Confident19 Ų1924.8 Ų24.89%0.08811%0.108CC..Hα-helixtrans-56.2-43.7174.7-85.4-151.9000111.7Y208 K262 W263 R270 Q324Y208-H266 HydrophobicContact CD2-CB 3.93Å; Y208-H266 HydrophobicContact CE2-CB 3.86Å; K262-H266 PolarHBondContact O-CD2 2.74Å; K262-H266 PolarHBondContact O-N 3.05Å; W263-H266 HydrophobicContact CE3-CB 4.32Å; W263-H266 AromaticContact CZ3-ND1 3.98Å; W263-H266 PolarHBondContact O-N 3.42Å; H266-R270 WeakPolarHBondContact O-CB 3.28Å; H266-R270 PolarHBondContact O-N 3.16Å; H266-Q324 WeakPolarHBondContact CD2-CG 3.37Å; H266-Q324 PolarHBondContact CD2-OE1 3.49Å; H266-Q324 VanDerWaalsContact CD2-OE1 3.24Å; H266-Q324 WeakPolarHBondContact NE2-CG 3.38Å; H266-Q324 PolarHBondContact NE2-NE2 3.35Å; H266-Q324 VanDerWaalsContact NE2-NE2 3.12Å
267I89.8Confident87.1Confident4 Ų423.3 Ų23.32%0.02110%0.099CC..Hα-helixtrans-64.5-47.5175.9-65.2163.7000110.3F204 L207 Y208 F211 L232 W263 A264 L265 R270 L271F204-I267 HydrophobicContact CB-CD1 4Å; F204-I267 HydrophobicContact CD1-CD1 4.09Å; F204-I267 HydrophobicContact CG-CD1 4.27Å; L207-I267 HydrophobicContact CB-CD1 3.97Å; Y208-I267 HydrophobicContact CD2-CG1 4.03Å; Y208-I267 HydrophobicContact CG-CG1 4.46Å; F211-I267 HydrophobicContact CD2-CG2 4.32Å; L232-I267 HydrophobicContact CD1-CB 4.48Å; L232-I267 HydrophobicContact CD1-CG2 3.83Å; L232-I267 HydrophobicContact CD2-CB 4.25Å; L232-I267 HydrophobicContact CD2-CD1 4.09Å; L232-I267 HydrophobicContact CD2-CG2 4.36Å; W263-I267 VanDerWaalsContact O-CG1 3.32Å; W263-I267 WeakPolarHBondContact O-CG1 3.43Å; W263-I267 PolarHBondContact O-N 2.89Å; W263-I267 VanDerWaalsContact O-N 3.11Å; A264-I267 PolarHBondContact O-N 2.91Å; L265-I267 VanDerWaalsContact C-N 3.28Å; L265-I267 PolarHBondContact O-N 3.35Å; I267-R270 PolarHBondContact O-N 3.23Å; I267-L271 HydrophobicContact CG2-CD1 3.74Å; I267-L271 HydrophobicContact CG2-CG 4.15Å; I267-L271 VanDerWaalsContact O-CB 3.28Å; I267-L271 WeakPolarHBondContact O-CB 3.3Å; I267-L271 WeakPolarHBondContact O-CG 3.2Å; I267-L271 PolarHBondContact O-N 2.92Å
268L90.4Very high86.5Confident3 Ų323.8 Ų23.82%0.01610%0.104CC..Hα-helixtrans-60.9-46.8180-72.2172.4000112.4M229 L232 V236 A264 L265 F272 A300 Y328M229-L268 HydrophobicContact CE-CD2 3.36Å; M229-L268 HydrophobicContact SD-CD2 3.87Å; L232-L268 HydrophobicContact CB-CD1 4.25Å; L232-L268 HydrophobicContact CB-CD2 4.09Å; L232-L268 HydrophobicContact CB-CG 4.17Å; L232-L268 HydrophobicContact CD1-CD2 3.86Å; L232-L268 HydrophobicContact CD1-CG 4.19Å; V236-L268 HydrophobicContact CG2-CD1 4.3Å; A264-L268 WeakPolarHBondContact O-CG 3.16Å; A264-L268 PolarHBondContact O-N 3.46Å; A264-L268 VanDerWaalsContact O-N 3.12Å; L265-L268 HydrophobicContact CD2-CD1 4.39Å; L265-L268 PolarHBondContact O-N 3.21Å; L265-L268 VanDerWaalsContact O-N 3.15Å; L268-F272 WeakPolarHBondContact O-CB 3.19Å; L268-F272 PolarHBondContact O-N 3.35Å; L268-F272 VanDerWaalsContact O-N 3.09Å; L268-A300 HydrophobicContact CD2-CB 4.41Å; L268-Y328 HydrophobicContact CB-CD2 4.19Å; L268-Y328 HydrophobicContact CB-CE2 4.04Å; L268-Y328 WeakPolarHBondContact O-CE2 3.33Å
269A87.1Confident85.5Confident8 Ų823.7 Ų23.77%0.06611%0.107CC..Hα-helixtrans-62.3-49.7177.700000111L265 L271 F272 E273L265-A269 WeakPolarHBondContact O-CB 3.48Å; L265-A269 PolarHBondContact O-N 2.99Å; A269-L271 PolarHBondContact O-N 3.49Å; A269-F272 PolarHBondContact O-N 3.14Å; A269-F272 VanDerWaalsContact O-N 3.12Å; A269-E273 VanDerWaalsContact O-CB 3.28Å; A269-E273 WeakPolarHBondContact O-CB 3.45Å; A269-E273 PolarHBondContact O-N 3.33Å
270R86.9Confident84.6Confident69 Ų6924.9 Ų24.926%0.2612%0.115SC..Hα-helixtrans-63.1-40.6179.4-171.762.965.5-171.211.6112.7Y208 H266 I267 F272 E273 R274Y208-R270 HydrophobicContact CE2-CB 4.16Å; Y208-R270 HydrophobicContact CE2-CG 4.42Å; H266-R270 WeakPolarHBondContact O-CB 3.28Å; H266-R270 PolarHBondContact O-N 3.16Å; I267-R270 PolarHBondContact O-N 3.23Å; R270-F272 VanDerWaalsContact C-N 3.28Å; R270-F272 PolarHBondContact O-N 3.41Å; R270-E273 IonicContact CZ-OE2 3.85Å; R270-E273 IonicContact NE-OE2 3.88Å; R270-E273 IonicContact NH1-OE1 4Å; R270-E273 IonicContact NH1-OE2 3.36Å; R270-E273 PolarHBondContact NH1-OE2 3.19Å; R270-R274 WeakPolarHBondContact O-CB 3.13Å; R270-R274 PolarHBondContact O-N 3.35Å
271L87.4Confident83.8Confident6 Ų625.2 Ų25.23%0.03112%0.117CC..Iπ-helixtrans-61-39.1175.2-76.4175.9000111.3L215 M229 I267 A269 Y275 G276 F288 F292L215-L271 HydrophobicContact CD1-CD2 3.78Å; M229-L271 HydrophobicContact SD-CD1 4.23Å; I267-L271 HydrophobicContact CG2-CD1 3.74Å; I267-L271 HydrophobicContact CG2-CG 4.15Å; I267-L271 VanDerWaalsContact O-CB 3.28Å; I267-L271 WeakPolarHBondContact O-CB 3.3Å; I267-L271 WeakPolarHBondContact O-CG 3.2Å; I267-L271 PolarHBondContact O-N 2.92Å; A269-L271 PolarHBondContact O-N 3.49Å; L271-Y275 HydrophobicContact CD2-CD2 4.2Å; L271-Y275 CarbonylContact O-C 3.59Å; L271-Y275 PolarHBondContact O-N 3.04Å; L271-G276 WeakPolarHBondContact O-CA 3.19Å; L271-G276 PolarHBondContact O-N 3.07Å; L271-F288 HydrophobicContact CD2-CZ 4.35Å; L271-F292 HydrophobicContact CB-CE2 3.99Å; L271-F292 HydrophobicContact CB-CZ 4.12Å; L271-F292 HydrophobicContact CD1-CE2 4.4Å
272F87.3Confident83.1Confident1 Ų128.3 Ų28.30%0.00414%0.137CC..Iπ-helixtrans-76.7-45.8-179.1-169.5-163.8000112.9L268 A269 R270 G276 S277 F292 L293 Y328 Q331 H335 T338L268-F272 WeakPolarHBondContact O-CB 3.19Å; L268-F272 PolarHBondContact O-N 3.35Å; L268-F272 VanDerWaalsContact O-N 3.09Å; A269-F272 PolarHBondContact O-N 3.14Å; A269-F272 VanDerWaalsContact O-N 3.12Å; R270-F272 VanDerWaalsContact C-N 3.28Å; R270-F272 PolarHBondContact O-N 3.41Å; F272-G276 CarbonylContact O-C 3.56Å; F272-G276 PolarHBondContact O-N 3.35Å; F272-S277 PolarHBondContact O-N 3.37Å; F272-S277 PolarHBondContact O-OG 3.12Å; F272-F292 HydrophobicContact CB-CE1 3.78Å; F272-F292 HydrophobicContact CB-CZ 4.2Å; F272-F292 HydrophobicContact CD2-CD1 4.32Å; F272-F292 AromaticContact CD2-CE1 3.88Å; F272-F292 HydrophobicContact CD2-CE1 3.88Å; F272-F292 AromaticContact CG-CE1 3.98Å; F272-F292 HydrophobicContact CG-CE1 3.98Å; F272-L293 HydrophobicContact CE2-CD1 3.99Å; F272-L293 HydrophobicContact CZ-CD1 4.3Å; F272-Y328 HydrophobicContact CB-CD2 4.28Å; F272-Y328 HydrophobicContact CB-CE2 3.77Å; F272-Y328 HydrophobicContact CD1-CD1 4.19Å; F272-Y328 HydrophobicContact CD1-CD2 4.04Å; F272-Y328 AromaticContact CD1-CE1 3.9Å; F272-Y328 HydrophobicContact CD1-CE1 3.9Å; F272-Y328 AromaticContact CD1-CE2 3.7Å; F272-Y328 HydrophobicContact CD1-CE2 3.7Å; F272-Y328 HydrophobicContact CD1-CG 4.25Å; F272-Y328 AromaticContact CD1-CZ 3.62Å; F272-Y328 HydrophobicContact CE1-CD1 4.49Å; F272-Y328 HydrophobicContact CE1-CE1 4.15Å; F272-Y328 HydrophobicContact CG-CE2 4.12Å; F272-Q331 HydrophobicContact CD1-CB 3.77Å; F272-Q331 HydrophobicContact CD1-CG 3.74Å; F272-Q331 HydrophobicContact CD2-CG 4.1Å; F272-Q331 HydrophobicContact CE1-CB 3.76Å; F272-Q331 HydrophobicContact CE1-CG 3.8Å; F272-Q331 HydrophobicContact CE2-CG 4.12Å; F272-Q331 HydrophobicContact CG-CB 4.41Å; F272-Q331 HydrophobicContact CG-CG 3.9Å; F272-Q331 HydrophobicContact CZ-CB 4.37Å; F272-Q331 HydrophobicContact CZ-CG 3.99Å; F272-H335 AromaticContact CE2-CD2 3.65Å; F272-H335 AromaticContact CE2-NE2 3.94Å; F272-H335 AromaticContact CZ-CD2 3.64Å; F272-T338 HydrophobicContact CZ-CG2 4.42Å
273E83.9Confident82.4Confident95 Ų9532.8 Ų32.844%0.44416%0.156SC..Iπ-helixtrans-61.7-52.8-179.8-178.8-170.8-157.400111.8A269 R270A269-E273 VanDerWaalsContact O-CB 3.28Å; A269-E273 WeakPolarHBondContact O-CB 3.45Å; A269-E273 PolarHBondContact O-N 3.33Å; R270-E273 IonicContact CZ-OE2 3.85Å; R270-E273 IonicContact NE-OE2 3.88Å; R270-E273 IonicContact NH1-OE1 4Å; R270-E273 IonicContact NH1-OE2 3.36Å; R270-E273 PolarHBondContact NH1-OE2 3.19Å
274R81.3Confident81.8Confident107 Ų10737.8 Ų37.840%0.40418%0.181SC..Iπ-helixtrans-94.8-27.5-168.8-171.4172.8-179152.69.8115.1Q212 Y213 R270Q212-R274 PolarHBondContact O-NH1 2.93Å; Y213-R274 PolarHBondContact O-NH2 3.05Å; Y213-R274 VanDerWaalsContact O-NH2 3.17Å; R270-R274 WeakPolarHBondContact O-CB 3.13Å; R270-R274 PolarHBondContact O-N 3.35Å
275Y84.7Confident81.3Confident3 Ų338.7 Ų38.71%0.01219%0.185CC..Iπ-helixtrans-128.9-17.4-172.3-48.8-71.8000113.7F211 N214 L215 L271 Y285 F288 A289F211-Y275 WeakPolarHBondContact O-CE2 3.3Å; F211-Y275 PolarHBondContact O-OH 3.07Å; N214-Y275 VanDerWaalsContact C-OH 3.27Å; N214-Y275 WeakPolarHBondContact CA-OH 3.35Å; N214-Y275 PolarHBondContact N-OH 3.24Å; N214-Y275 VanDerWaalsContact N-OH 3.15Å; L215-Y275 HydrophobicContact CB-CD1 3.77Å; L215-Y275 HydrophobicContact CB-CD2 4.1Å; L215-Y275 HydrophobicContact CB-CE1 3.58Å; L215-Y275 HydrophobicContact CB-CE2 3.92Å; L215-Y275 HydrophobicContact CB-CG 4.02Å; L215-Y275 HydrophobicContact CD1-CD2 4.45Å; L215-Y275 HydrophobicContact CD1-CE2 4.48Å; L215-Y275 HydrophobicContact CD2-CD1 4.23Å; L215-Y275 HydrophobicContact CD2-CD2 4.16Å; L215-Y275 HydrophobicContact CD2-CG 3.86Å; L215-Y275 HydrophobicContact CG-CD2 4.48Å; L215-Y275 HydrophobicContact CG-CG 4.46Å; L215-Y275 PolarHBondContact N-OH 3.38Å; L271-Y275 HydrophobicContact CD2-CD2 4.2Å; L271-Y275 CarbonylContact O-C 3.59Å; L271-Y275 PolarHBondContact O-N 3.04Å; Y275-Y285 HydrophobicContact CD1-CD1 4.05Å; Y275-Y285 AromaticContact CD1-CD2 3.95Å; Y275-Y285 HydrophobicContact CD1-CD2 3.95Å; Y275-Y285 HydrophobicContact CD1-CE1 4.12Å; Y275-Y285 HydrophobicContact CD1-CE2 4.04Å; Y275-Y285 AromaticContact CD1-CG 3.99Å; Y275-Y285 HydrophobicContact CD1-CG 3.99Å; Y275-Y285 HydrophobicContact CE1-CD2 4.41Å; Y275-Y285 HydrophobicContact CE1-CE1 4.38Å; Y275-Y285 HydrophobicContact CE1-CE2 4.05Å; Y275-F288 WeakPolarHBondContact O-CD1 3.44Å; Y275-A289 VanDerWaalsContact O-CA 3.31Å; Y275-A289 WeakPolarHBondContact O-CA 3.4Å; Y275-A289 VanDerWaalsContact O-CB 3.23Å; Y275-A289 WeakPolarHBondContact O-CB 3.41Å
276G80.9Confident81Confident0 Ų041.2 Ų41.20%020%0.2CC..SBendtrans-1032.2-166.800000114.7L271 F272 P278L271-G276 WeakPolarHBondContact O-CA 3.19Å; L271-G276 PolarHBondContact O-N 3.07Å; F272-G276 CarbonylContact O-C 3.56Å; F272-G276 PolarHBondContact O-N 3.35Å; G276-P278 WeakPolarHBondContact O-CD 3.19Å
277S80.1Confident80.7Confident0 Ų048.5 Ų48.50%024%0.235CC..SBendtrans-111.598.4-174.9-67.40000110.2F272 G279 N280 T281 Q331 H335F272-S277 PolarHBondContact O-N 3.37Å; F272-S277 PolarHBondContact O-OG 3.12Å; S277-G279 PolarHBondContact O-N 3.26Å; S277-N280 PolarHBondContact O-N 3.13Å; S277-N280 VanDerWaalsContact O-N 3.15Å; S277-T281 VanDerWaalsContact O-CG2 3.28Å; S277-T281 WeakPolarHBondContact O-CG2 3.3Å; S277-Q331 PolarHBondContact OG-NE2 3.21Å; S277-H335 WeakPolarHBondContact CB-NE2 3.46Å; S277-H335 PolarHBondContact OG-NE2 2.87Å; S277-H335 VanDerWaalsContact OG-NE2 3.13Å
278P72.5Confident80.4Confident31 Ų3149.1 Ų49.120%0.20124%0.237CC..THydrogen-bonded Turntrans-54.1133.2174.4-22.233000110.2G276 A289 L293G276-P278 WeakPolarHBondContact O-CD 3.19Å; P278-A289 HydrophobicContact CG-CB 3.97Å; P278-L293 HydrophobicContact CG-CD2 3.94Å
279G66.4Low80.1Confident10 Ų1049 Ų4910%0.10324%0.236CC..THydrogen-bonded Turntrans103.3-47.5-172.600000112.9S277 T281 Q914S277-G279 PolarHBondContact O-N 3.26Å; G279-T281 PolarHBondContact O-N 3.28Å; G279-Q914 VanDerWaalsContact O-CD 3.22Å; G279-Q914 PolarHBondContact O-NE2 2.91Å
280N67.5Low79.9Confident67 Ų6751.7 Ų51.736%0.35825%0.25SC..SBendtrans-99.623.6-173.2-61.829.2000113S277S277-N280 PolarHBondContact O-N 3.13Å; S277-N280 VanDerWaalsContact O-N 3.15Å
281T72.9Confident79.8Confident6 Ų651.2 Ų51.24%0.03725%0.252CS..SBendtrans-128.2147.5-175.860.40000110.5S277 G279 A289S277-T281 VanDerWaalsContact O-CG2 3.28Å; S277-T281 WeakPolarHBondContact O-CG2 3.3Å; G279-T281 PolarHBondContact O-N 3.28Å; T281-A289 HydrophobicContact CG2-CB 4.35Å
282T75.6Confident79.8Confident72 Ų7250.9 Ų50.944%0.44225%0.25SS..  trans-59154.517463.70000111.6E284 Y285T282-E284 PolarHBondContact O-N 2.88Å; T282-Y285 PolarHBondContact O-N 3.07Å; T282-Y285 WeakPolarHBondContact OG1-CD2 3.27Å
283K75.9Confident79.7Confident148 Ų14851.3 Ų51.364%0.64325%0.252SS*.THydrogen-bonded Turntrans-50.5-28.5-176.4-71.1175.9172.4139.10114T286 E918K283-T286 PolarHBondContact O-OG1 3.46Å; K283-E918 WeakPolarHBondContact CE-OE1 3.43Å; K283-E918 IonicContact NZ-OE1 3.31Å; K283-E918 PolarHBondContact NZ-OE1 3.26Å; K283-E918 IonicContact NZ-OE2 3.03Å; K283-E918 PolarHBondContact NZ-OE2 3.35Å
284E77.6Confident79.7Confident142 Ų14253.5 Ų53.566%0.66426%0.261SS*.THydrogen-bonded Turntrans-69.8-29.9179.3-59.1-177.1167.600113.5L217 T282L217-E284 WeakPolarHBondContact CD1-O 3.12Å; T282-E284 PolarHBondContact O-N 2.88Å
285Y82.2Confident79.8Confident19 Ų1950.6 Ų50.68%0.07526%0.264CS..THydrogen-bonded Turntrans-98.5-3.3-174.2-62.8-65.1000114L215 L217 Y275 T282 E287 F288 A289L215-Y285 HydrophobicContact CB-CD1 4.43Å; L215-Y285 HydrophobicContact CB-CE1 3.71Å; L215-Y285 HydrophobicContact CD2-CD1 4.31Å; L215-Y285 HydrophobicContact CD2-CE1 4.33Å; L215-Y285 HydrophobicContact CG-CE1 4.44Å; L215-Y285 PolarHBondContact N-OH 3.5Å; L215-Y285 WeakPolarHBondContact O-CE1 3Å; L215-Y285 PolarHBondContact O-OH 3.26Å; L217-Y285 HydrophobicContact CD1-CD1 4.11Å; L217-Y285 HydrophobicContact CD1-CE1 4.07Å; L217-Y285 HydrophobicContact CD2-CD1 3.82Å; L217-Y285 HydrophobicContact CD2-CE1 3.92Å; L217-Y285 HydrophobicContact CG-CD1 4.09Å; L217-Y285 HydrophobicContact CG-CE1 3.81Å; Y275-Y285 HydrophobicContact CD1-CD1 4.05Å; Y275-Y285 AromaticContact CD1-CD2 3.95Å; Y275-Y285 HydrophobicContact CD1-CD2 3.95Å; Y275-Y285 HydrophobicContact CD1-CE1 4.12Å; Y275-Y285 HydrophobicContact CD1-CE2 4.04Å; Y275-Y285 AromaticContact CD1-CG 3.99Å; Y275-Y285 HydrophobicContact CD1-CG 3.99Å; Y275-Y285 HydrophobicContact CE1-CD2 4.41Å; Y275-Y285 HydrophobicContact CE1-CE1 4.38Å; Y275-Y285 HydrophobicContact CE1-CE2 4.05Å; T282-Y285 PolarHBondContact O-N 3.07Å; T282-Y285 WeakPolarHBondContact OG1-CD2 3.27Å; Y285-E287 VanDerWaalsContact C-N 3.33Å; Y285-E287 PolarHBondContact O-N 3.22Å; Y285-F288 CarbonylContact O-C 3.49Å; Y285-F288 WeakPolarHBondContact O-CA 3.27Å; Y285-F288 WeakPolarHBondContact O-CB 3.49Å; Y285-F288 PolarHBondContact O-N 3.47Å; Y285-A289 PolarHBondContact O-N 3.49Å
286T81.4Confident79.9Confident55 Ų5551.4 Ų51.434%0.33727%0.268SS..Hα-helixtrans-57.9-42.4-173.8-45.90000112.7K283 F288 A289 D290K283-T286 PolarHBondContact O-OG1 3.46Å; T286-F288 VanDerWaalsContact C-N 3.33Å; T286-F288 PolarHBondContact O-N 3.27Å; T286-A289 PolarHBondContact O-N 3.01Å; T286-D290 PolarHBondContact O-N 3.1Å; T286-D290 VanDerWaalsContact O-N 3.07Å
287E82.2Confident80.2Confident173 Ų17351.4 Ų51.481%0.80827%0.268SS*.Hα-helixtrans-64.1-38.3176.5-66.1-168.8169.700112.5Y285 L291Y285-E287 VanDerWaalsContact C-N 3.33Å; Y285-E287 PolarHBondContact O-N 3.22Å; E287-L291 WeakPolarHBondContact O-CB 3.06Å; E287-L291 PolarHBondContact O-N 2.77Å
288F85.3Confident80.5Confident16 Ų1653.2 Ų53.27%0.0728%0.279CS..Hα-helixtrans-68-43.8176.3172.3-88.3000110.9L215 L217 I220 L225 L271 Y275 Y285 T286 D290 L291 F292L215-F288 HydrophobicContact CD2-CD1 3.92Å; L215-F288 HydrophobicContact CD2-CD2 4.2Å; L215-F288 HydrophobicContact CD2-CE1 3.7Å; L215-F288 HydrophobicContact CD2-CE2 3.96Å; L215-F288 HydrophobicContact CD2-CG 4.18Å; L215-F288 HydrophobicContact CD2-CZ 3.72Å; L217-F288 HydrophobicContact CD2-CB 4.31Å; I220-F288 HydrophobicContact CG2-CD2 4.3Å; I220-F288 HydrophobicContact CG2-CE2 3.97Å; L225-F288 HydrophobicContact CD1-CE2 3.99Å; L225-F288 HydrophobicContact CD1-CZ 4.31Å; L225-F288 HydrophobicContact CD2-CD2 4.14Å; L225-F288 HydrophobicContact CD2-CE2 3.48Å; L225-F288 VanDerWaalsContact CD2-CE2 3.48Å; L225-F288 HydrophobicContact CD2-CZ 4.26Å; L225-F288 HydrophobicContact CG-CE2 4.38Å; L271-F288 HydrophobicContact CD2-CZ 4.35Å; Y275-F288 WeakPolarHBondContact O-CD1 3.44Å; Y285-F288 CarbonylContact O-C 3.49Å; Y285-F288 WeakPolarHBondContact O-CA 3.27Å; Y285-F288 WeakPolarHBondContact O-CB 3.49Å; Y285-F288 PolarHBondContact O-N 3.47Å; T286-F288 VanDerWaalsContact C-N 3.33Å; T286-F288 PolarHBondContact O-N 3.27Å; F288-D290 VanDerWaalsContact C-N 3.31Å; F288-D290 PolarHBondContact O-N 3.13Å; F288-L291 PolarHBondContact O-N 3.27Å; F288-F292 HydrophobicContact CE1-CB 4.16Å; F288-F292 HydrophobicContact CE1-CD2 4.39Å; F288-F292 HydrophobicContact CE1-CG 4.45Å; F288-F292 HydrophobicContact CZ-CB 4.42Å; F288-F292 HydrophobicContact CZ-CD2 4.14Å; F288-F292 WeakPolarHBondContact O-CB 3.45Å; F288-F292 PolarHBondContact O-N 3.42Å
289A83.3Confident81.3Confident0 Ų053 Ų530%028%0.279CS..Hα-helixtrans-57.2-46.9178.800000111.2Y275 P278 T281 Y285 T286 L291 F292 L293Y275-A289 VanDerWaalsContact O-CA 3.31Å; Y275-A289 WeakPolarHBondContact O-CA 3.4Å; Y275-A289 VanDerWaalsContact O-CB 3.23Å; Y275-A289 WeakPolarHBondContact O-CB 3.41Å; P278-A289 HydrophobicContact CG-CB 3.97Å; T281-A289 HydrophobicContact CG2-CB 4.35Å; Y285-A289 PolarHBondContact O-N 3.49Å; T286-A289 PolarHBondContact O-N 3.01Å; A289-L291 PolarHBondContact O-N 2.93Å; A289-F292 PolarHBondContact O-N 3.48Å; A289-L293 WeakPolarHBondContact O-CB 3.43Å; A289-L293 PolarHBondContact O-N 2.99Å
290D83.3Confident82.3Confident65 Ų6552.6 Ų52.635%0.34828%0.275SS..Hα-helixtrans-60.1-44.3177.6-114.9-24.2000112.6T286 F288 K294T286-D290 PolarHBondContact O-N 3.1Å; T286-D290 VanDerWaalsContact O-N 3.07Å; F288-D290 VanDerWaalsContact C-N 3.31Å; F288-D290 PolarHBondContact O-N 3.13Å; D290-K294 WeakPolarHBondContact O-CB 3.4Å; D290-K294 WeakPolarHBondContact O-CG 3.39Å; D290-K294 PolarHBondContact O-N 3.28Å; D290-K294 IonicContact OD1-NZ 3.79Å; D290-K294 PolarHBondContact OD1-NZ 2.89Å; D290-K294 IonicContact OD2-NZ 3.62Å
291L84.8Confident83.3Confident59 Ų5949.5 Ų49.531%0.30926%0.258SS..Hα-helixtrans-68.7-39178.7-176.7142.4000111.6R222 L225 E287 F288 A289 G295 Y296R222-L291 HydrophobicContact CG-CD1 4.15Å; L225-L291 HydrophobicContact CD2-CD2 3.7Å; E287-L291 WeakPolarHBondContact O-CB 3.06Å; E287-L291 PolarHBondContact O-N 2.77Å; F288-L291 PolarHBondContact O-N 3.27Å; A289-L291 PolarHBondContact O-N 2.93Å; L291-G295 WeakPolarHBondContact O-CA 3.31Å; L291-G295 PolarHBondContact O-N 3.36Å; L291-Y296 HydrophobicContact CD2-CE2 3.6Å
292F86.6Confident84Confident0 Ų054.6 Ų54.60%028%0.282CS..Hα-helixtrans-66.5-50179.2-178.2-89.9000111.7M229 L271 F272 F288 A289 G295 Y296 A297M229-F292 HydrophobicContact CE-CD2 4.39Å; M229-F292 HydrophobicContact CE-CE2 3.49Å; M229-F292 VanDerWaalsContact CE-CE2 3.49Å; M229-F292 HydrophobicContact CE-CZ 3.98Å; M229-F292 HydrophobicContact SD-CE2 3.96Å; L271-F292 HydrophobicContact CB-CE2 3.99Å; L271-F292 HydrophobicContact CB-CZ 4.12Å; L271-F292 HydrophobicContact CD1-CE2 4.4Å; F272-F292 HydrophobicContact CB-CE1 3.78Å; F272-F292 HydrophobicContact CB-CZ 4.2Å; F272-F292 HydrophobicContact CD2-CD1 4.32Å; F272-F292 AromaticContact CD2-CE1 3.88Å; F272-F292 HydrophobicContact CD2-CE1 3.88Å; F272-F292 AromaticContact CG-CE1 3.98Å; F272-F292 HydrophobicContact CG-CE1 3.98Å; F288-F292 HydrophobicContact CE1-CB 4.16Å; F288-F292 HydrophobicContact CE1-CD2 4.39Å; F288-F292 HydrophobicContact CE1-CG 4.45Å; F288-F292 HydrophobicContact CZ-CB 4.42Å; F288-F292 HydrophobicContact CZ-CD2 4.14Å; F288-F292 WeakPolarHBondContact O-CB 3.45Å; F288-F292 PolarHBondContact O-N 3.42Å; A289-F292 PolarHBondContact O-N 3.48Å; F292-G295 PolarHBondContact O-N 2.87Å; F292-Y296 HydrophobicContact CD2-CD2 4.26Å; F292-Y296 PolarHBondContact O-N 2.98Å; F292-A297 HydrophobicContact CD1-CB 4.45Å; F292-A297 HydrophobicContact CE1-CB 4.25Å; F292-A297 PolarHBondContact O-N 3.06Å; F292-A297 VanDerWaalsContact O-N 3.11Å
293L85.1Confident84.6Confident9 Ų952 Ų525%0.04727%0.266CS..Iπ-helixtrans-61.6-47.9-178.6-175.667.2000111.6F272 P278 A289 A297 H335 T338F272-L293 HydrophobicContact CE2-CD1 3.99Å; F272-L293 HydrophobicContact CZ-CD1 4.3Å; P278-L293 HydrophobicContact CG-CD2 3.94Å; A289-L293 WeakPolarHBondContact O-CB 3.43Å; A289-L293 PolarHBondContact O-N 2.99Å; L293-A297 HydrophobicContact CD1-CB 4.2Å; L293-H335 HydrophobicContact CD1-CB 3.78Å; L293-H335 HydrophobicContact CD2-CB 4.15Å; L293-T338 HydrophobicContact CD1-CG2 4.08Å
294K84.3Confident85.2Confident141 Ų14145 Ų4561%0.61324%0.236SC*.Iπ-helixtrans-74.6-31.8-178.3-69.2167.1178.8140.70113D290D290-K294 WeakPolarHBondContact O-CB 3.4Å; D290-K294 WeakPolarHBondContact O-CG 3.39Å; D290-K294 PolarHBondContact O-N 3.28Å; D290-K294 IonicContact OD1-NZ 3.79Å; D290-K294 PolarHBondContact OD1-NZ 2.89Å; D290-K294 IonicContact OD2-NZ 3.62Å
295G83.8Confident85.7Confident47 Ų4738.7 Ų38.749%0.48521%0.206SC..Iπ-helixtrans-95-41-170.600000115.3L291 F292L291-G295 WeakPolarHBondContact O-CA 3.31Å; L291-G295 PolarHBondContact O-N 3.36Å; F292-G295 PolarHBondContact O-N 2.87Å
296Y86.3Confident86Confident20 Ų2041.4 Ų41.48%0.07822%0.218CC..Iπ-helixtrans-127.5-27.7-165.6-47.6-68.4000114.8R222 L225 T226 M229 L291 F292 V298 A299 A300R222-Y296 PolarHBondContact O-OH 3.34Å; L225-Y296 HydrophobicContact CD2-CD2 4.27Å; L225-Y296 HydrophobicContact CD2-CE2 3.57Å; L225-Y296 HydrophobicContact CG-CD2 4.45Å; L225-Y296 HydrophobicContact CG-CE2 3.84Å; T226-Y296 HydrophobicContact CG2-CE1 4.17Å; T226-Y296 PolarHBondContact OG1-OH 3Å; M229-Y296 HydrophobicContact CB-CD1 4.04Å; M229-Y296 HydrophobicContact CB-CG 4.27Å; M229-Y296 HydrophobicContact CE-CG 4.35Å; M229-Y296 HydrophobicContact CG-CD1 4.16Å; M229-Y296 HydrophobicContact CG-CD2 4.21Å; M229-Y296 HydrophobicContact CG-CG 3.95Å; L291-Y296 HydrophobicContact CD2-CE2 3.6Å; F292-Y296 HydrophobicContact CD2-CD2 4.26Å; F292-Y296 PolarHBondContact O-N 2.98Å; Y296-V298 PolarHBondContact O-N 3.05Å; Y296-A299 PolarHBondContact O-N 3.27Å; Y296-A299 VanDerWaalsContact O-N 3.1Å; Y296-A300 PolarHBondContact O-N 3.43Å
297A87.3Confident86.3Confident0 Ų039 Ų390%020%0.203CC..Iπ-helixtrans-58.2-45.5-173.700000112.9F292 L293 A299 A300 Q301 Y328 T338F292-A297 HydrophobicContact CD1-CB 4.45Å; F292-A297 HydrophobicContact CE1-CB 4.25Å; F292-A297 PolarHBondContact O-N 3.06Å; F292-A297 VanDerWaalsContact O-N 3.11Å; L293-A297 HydrophobicContact CD1-CB 4.2Å; A297-A299 VanDerWaalsContact C-N 3.32Å; A297-A299 PolarHBondContact O-N 3.3Å; A297-A300 PolarHBondContact O-N 2.98Å; A297-Q301 WeakPolarHBondContact O-CB 3.47Å; A297-Q301 PolarHBondContact O-N 2.99Å; A297-Y328 WeakPolarHBondContact CA-OH 3.37Å; A297-Y328 PolarHBondContact O-OH 3.41Å; A297-T338 HydrophobicContact CB-CG2 3.79Å
298V87.1Confident86.6Confident38 Ų3830.9 Ų30.923%0.2317%0.166CC..Hα-helixtrans-62.6-39.1177.7-179.20000111.8Y296 Q301 Q302 V337 T338 N341Y296-V298 PolarHBondContact O-N 3.05Å; V298-Q301 WeakPolarHBondContact O-CB 3.46Å; V298-Q301 PolarHBondContact O-N 3.36Å; V298-Q302 WeakPolarHBondContact O-CG 3.25Å; V298-Q302 PolarHBondContact O-N 3.21Å; V298-Q302 VanDerWaalsContact O-N 3.1Å; V298-V337 HydrophobicContact CG2-CG1 3.84Å; V298-T338 HydrophobicContact CG2-CG2 4.37Å; V298-N341 HydrophobicContact CG1-CB 4.2Å
299A87.7Confident86.6Confident26 Ų2634.7 Ų34.722%0.21518%0.18CC..Hα-helixtrans-71.2-37.8-178.900000111.8K233 Y296 A297K233-A299 HydrophobicContact CD-CB 4.18Å; Y296-A299 PolarHBondContact O-N 3.27Å; Y296-A299 VanDerWaalsContact O-N 3.1Å; A297-A299 VanDerWaalsContact C-N 3.32Å; A297-A299 PolarHBondContact O-N 3.3Å
300A89.1Confident86.7Confident2 Ų236 Ų362%0.01719%0.186CC..Hα-helixtrans-64.5-46.7171.700000110.6L268 Y296 A297 Q302 V303 L304 Y328L268-A300 HydrophobicContact CD2-CB 4.41Å; Y296-A300 PolarHBondContact O-N 3.43Å; A297-A300 PolarHBondContact O-N 2.98Å; A300-Q302 VanDerWaalsContact C-N 3.29Å; A300-Q302 PolarHBondContact O-N 3.18Å; A300-V303 PolarHBondContact O-N 3.46Å; A300-L304 WeakPolarHBondContact O-CG 3.22Å; A300-L304 PolarHBondContact O-N 3.21Å; A300-L304 VanDerWaalsContact O-N 3.08Å; A300-Y328 HydrophobicContact CB-CE1 4.33Å; A300-Y328 WeakPolarHBondContact CB-OH 3.5Å
301Q87.8Confident86.8Confident2 Ų236 Ų361%0.00918%0.182CC..Hα-helixtrans-54.4-40.6177.9-171.2-173.928.600113A297 V298 V303 L304 L305 Y328 T338 N341A297-Q301 WeakPolarHBondContact O-CB 3.47Å; A297-Q301 PolarHBondContact O-N 2.99Å; V298-Q301 WeakPolarHBondContact O-CB 3.46Å; V298-Q301 PolarHBondContact O-N 3.36Å; Q301-V303 VanDerWaalsContact C-N 3.33Å; Q301-V303 PolarHBondContact O-N 2.93Å; Q301-L304 WeakPolarHBondContact O-CB 3.47Å; Q301-L304 PolarHBondContact O-N 3.18Å; Q301-L305 WeakPolarHBondContact O-CG 3.09Å; Q301-L305 PolarHBondContact O-N 3.46Å; Q301-Y328 HydrophobicContact CB-CE1 4.44Å; Q301-T338 PolarHBondContact NE2-O 3.35Å; Q301-T338 PolarHBondContact OE1-O 3.32Å; Q301-N341 PolarHBondContact OE1-ND2 2.97Å; Q301-N341 VanDerWaalsContact OE1-ND2 3.16Å
302Q87.5Confident86.9Confident112 Ų11237.7 Ų37.752%0.52319%0.187SC..Hα-helixtrans-60.9-39.4177.1-74.3175.2-4.400113.1V298 A300 K306V298-Q302 WeakPolarHBondContact O-CG 3.25Å; V298-Q302 PolarHBondContact O-N 3.21Å; V298-Q302 VanDerWaalsContact O-N 3.1Å; A300-Q302 VanDerWaalsContact C-N 3.29Å; A300-Q302 PolarHBondContact O-N 3.18Å; Q302-K306 PolarHBondContact O-N 2.92Å
303V88.8Confident86.8Confident19 Ų1944.2 Ų44.212%0.11522%0.217CC..Hα-helixtrans-69-39.7176.5-179.40000110.5K233 V236 D237 A300 Q301 L305 K306 V307K233-V303 HydrophobicContact CB-CG2 4.31Å; K233-V303 HydrophobicContact CG-CG2 4.38Å; V236-V303 HydrophobicContact CB-CG1 3.89Å; V236-V303 HydrophobicContact CG1-CG1 3.66Å; D237-V303 HydrophobicContact CB-CG1 3.75Å; A300-V303 PolarHBondContact O-N 3.46Å; Q301-V303 VanDerWaalsContact C-N 3.33Å; Q301-V303 PolarHBondContact O-N 2.93Å; V303-L305 VanDerWaalsContact C-N 3.35Å; V303-L305 PolarHBondContact O-N 3.28Å; V303-K306 VanDerWaalsContact O-CB 3.26Å; V303-K306 WeakPolarHBondContact O-CB 3.34Å; V303-K306 PolarHBondContact O-N 2.97Å; V303-K306 VanDerWaalsContact O-N 3.11Å; V303-V307 PolarHBondContact O-N 2.83Å
304L88.5Confident86.7Confident1 Ų153.2 Ų53.21%0.00526%0.256CS..Hα-helixtrans-64.7-37.4177.4-65-175.8000112.9V236 L265 A300 Q301 K306 V307 L308 T325 Y328V236-L304 HydrophobicContact CG1-CD2 4.07Å; L265-L304 HydrophobicContact CD2-CD2 3.17Å; A300-L304 WeakPolarHBondContact O-CG 3.22Å; A300-L304 PolarHBondContact O-N 3.21Å; A300-L304 VanDerWaalsContact O-N 3.08Å; Q301-L304 WeakPolarHBondContact O-CB 3.47Å; Q301-L304 PolarHBondContact O-N 3.18Å; L304-K306 PolarHBondContact O-N 3.44Å; L304-V307 WeakPolarHBondContact O-CB 3.29Å; L304-V307 PolarHBondContact O-N 3.31Å; L304-V307 VanDerWaalsContact O-N 3.11Å; L304-L308 PolarHBondContact O-N 3.27Å; L304-T325 HydrophobicContact CB-CG2 3.87Å; L304-T325 HydrophobicContact CD2-CG2 4.15Å; L304-T325 HydrophobicContact CG-CG2 4.44Å; L304-Y328 HydrophobicContact CD1-CD1 3.16Å; L304-Y328 HydrophobicContact CD1-CD2 4.12Å; L304-Y328 HydrophobicContact CD1-CE1 3.84Å; L304-Y328 HydrophobicContact CD1-CG 3.34Å
305L88.4Confident86.7Confident9 Ų950.8 Ų50.85%0.04725%0.247CC..Hα-helixtrans-59-38.1172.2-70174.6000111.4Q301 V303 V307 L308 Y309 L342 H345 I349Q301-L305 WeakPolarHBondContact O-CG 3.09Å; Q301-L305 PolarHBondContact O-N 3.46Å; V303-L305 VanDerWaalsContact C-N 3.35Å; V303-L305 PolarHBondContact O-N 3.28Å; L305-V307 VanDerWaalsContact C-N 3.34Å; L305-V307 PolarHBondContact O-N 3.14Å; L305-L308 WeakPolarHBondContact O-CB 3.48Å; L305-L308 PolarHBondContact O-N 2.8Å; L305-Y309 HydrophobicContact CB-CD2 4.42Å; L305-Y309 HydrophobicContact CB-CE2 3.99Å; L305-Y309 WeakPolarHBondContact O-CD2 3.16Å; L305-Y309 PolarHBondContact O-N 3.41Å; L305-L342 HydrophobicContact CD2-CD1 4.18Å; L305-H345 HydrophobicContact CD2-CB 4.37Å; L305-I349 HydrophobicContact CD2-CD1 3.57Å; L305-I349 HydrophobicContact CD2-CG1 4.47Å
306K88.1Confident86.7Confident75 Ų7551.1 Ų51.133%0.32623%0.234SC..Hα-helixtrans-61.2-41.2174.3-168.3-167.7178.3-165.10112.1D237 D239 Q302 V303 L304 L308 Y309 Q310D237-K306 PolarHBondContact O-NZ 3.02Å; D237-K306 WeakPolarHBondContact OD1-CD 3.4Å; D237-K306 WeakPolarHBondContact OD1-CE 3.41Å; D237-K306 IonicContact OD1-NZ 3.54Å; D237-K306 PolarHBondContact OD1-NZ 3.07Å; D237-K306 IonicContact OD2-NZ 3.19Å; D239-K306 IonicContact OD1-NZ 3.56Å; Q302-K306 PolarHBondContact O-N 2.92Å; V303-K306 VanDerWaalsContact O-CB 3.26Å; V303-K306 WeakPolarHBondContact O-CB 3.34Å; V303-K306 PolarHBondContact O-N 2.97Å; V303-K306 VanDerWaalsContact O-N 3.11Å; L304-K306 PolarHBondContact O-N 3.44Å; K306-L308 VanDerWaalsContact C-N 3.33Å; K306-L308 PolarHBondContact O-N 3.27Å; K306-Y309 PolarHBondContact O-N 3.4Å; K306-Q310 WeakPolarHBondContact O-CG 3.46Å; K306-Q310 PolarHBondContact O-N 3.14Å
307V87.3Confident86.6Confident4 Ų450.7 Ų50.72%0.02423%0.233CC..Hα-helixtrans-61.6-42.9175.6178.90000110.7V236 V303 L304 L305 Y309 Q310 Y311 V317 V321 T325V236-V307 HydrophobicContact CG1-CG2 3.96Å; V303-V307 PolarHBondContact O-N 2.83Å; L304-V307 WeakPolarHBondContact O-CB 3.29Å; L304-V307 PolarHBondContact O-N 3.31Å; L304-V307 VanDerWaalsContact O-N 3.11Å; L305-V307 VanDerWaalsContact C-N 3.34Å; L305-V307 PolarHBondContact O-N 3.14Å; V307-Y309 VanDerWaalsContact C-N 3.34Å; V307-Y309 PolarHBondContact O-N 3.08Å; V307-Q310 WeakPolarHBondContact O-CB 3.32Å; V307-Q310 PolarHBondContact O-N 3.47Å; V307-Y311 PolarHBondContact O-N 3.45Å; V307-Y311 VanDerWaalsContact O-N 3.11Å; V307-V317 HydrophobicContact CG1-CG1 4.03Å; V307-V321 HydrophobicContact CG1-CG1 4.32Å; V307-T325 HydrophobicContact CB-CG2 4.45Å
308L87.6Confident86.5Confident3 Ų350.9 Ų50.92%0.01624%0.235CC..Hα-helixtrans-64.3-37.2174.4-66.1-164.3000112.8L304 L305 K306 Y311 K312 L322 T325 L326 I329 I349 V353L304-L308 PolarHBondContact O-N 3.27Å; L305-L308 WeakPolarHBondContact O-CB 3.48Å; L305-L308 PolarHBondContact O-N 2.8Å; K306-L308 VanDerWaalsContact C-N 3.33Å; K306-L308 PolarHBondContact O-N 3.27Å; L308-Y311 PolarHBondContact O-N 3.46Å; L308-K312 PolarHBondContact O-N 2.98Å; L308-L322 HydrophobicContact CD2-CD1 3.65Å; L308-T325 HydrophobicContact CD2-CG2 3.62Å; L308-T325 HydrophobicContact CG-CG2 3.89Å; L308-L326 HydrophobicContact CD2-CD2 4.21Å; L308-I329 HydrophobicContact CD1-CD1 3.3Å; L308-I329 HydrophobicContact CG-CD1 4.02Å; L308-I349 HydrophobicContact CD1-CD1 4.17Å; L308-I349 HydrophobicContact CD1-CG1 4.11Å; L308-I349 HydrophobicContact CD1-CG2 3.91Å; L308-V353 HydrophobicContact CB-CG2 4.25Å; L308-V353 HydrophobicContact CD2-CG1 4.13Å
309Y86.3Confident86.4Confident97 Ų9752 Ų5238%0.3824%0.243SC..Hα-helixtrans-65.7-37.9174.1-70.2-55.7000112.5L305 K306 V307 Y311 K312 E313 H345L305-Y309 HydrophobicContact CB-CD2 4.42Å; L305-Y309 HydrophobicContact CB-CE2 3.99Å; L305-Y309 WeakPolarHBondContact O-CD2 3.16Å; L305-Y309 PolarHBondContact O-N 3.41Å; K306-Y309 PolarHBondContact O-N 3.4Å; V307-Y309 VanDerWaalsContact C-N 3.34Å; V307-Y309 PolarHBondContact O-N 3.08Å; Y309-Y311 VanDerWaalsContact C-N 3.33Å; Y309-K312 WeakPolarHBondContact O-CB 3.43Å; Y309-K312 PolarHBondContact O-N 3.4Å; Y309-E313 PolarHBondContact O-N 3.03Å; Y309-H345 PolarHBondContact OH-ND1 3.45Å
310Q85.4Confident86.3Confident26 Ų2654 Ų5412%0.12125%0.245CC..Hα-helixtrans-61.1-44.1174-73.3175.8-24.200111.1D239 K306 V307 E313 Q315D239-Q310 PolarHBondContact OD1-NE2 2.7Å; K306-Q310 WeakPolarHBondContact O-CG 3.46Å; K306-Q310 PolarHBondContact O-N 3.14Å; V307-Q310 WeakPolarHBondContact O-CB 3.32Å; V307-Q310 PolarHBondContact O-N 3.47Å; Q310-E313 PolarHBondContact O-N 3.5Å; Q310-Q315 HydrophobicContact CB-CB 4.35Å; Q310-Q315 WeakPolarHBondContact O-CB 3.38Å; Q310-Q315 PolarHBondContact O-N 3.48Å
311Y86Confident86.3Confident65 Ų6554.1 Ų54.126%0.25525%0.245SC..Hα-helixtrans-60.5-45.1174.1-178.1-99.4000111.8V307 L308 Y309 E313 K314 V317 L322 V353 L357V307-Y311 PolarHBondContact O-N 3.45Å; V307-Y311 VanDerWaalsContact O-N 3.11Å; L308-Y311 PolarHBondContact O-N 3.46Å; Y309-Y311 VanDerWaalsContact C-N 3.33Å; Y311-E313 VanDerWaalsContact C-N 3.26Å; Y311-E313 PolarHBondContact O-N 2.9Å; Y311-K314 WeakPolarHBondContact O-CA 3.46Å; Y311-K314 PolarHBondContact O-N 2.95Å; Y311-V317 HydrophobicContact CD2-CB 4.45Å; Y311-L322 HydrophobicContact CD1-CD2 4.47Å; Y311-L322 HydrophobicContact CD2-CD2 3.79Å; Y311-L322 HydrophobicContact CE1-CD2 4.36Å; Y311-L322 HydrophobicContact CE2-CD2 3.67Å; Y311-L322 HydrophobicContact CG-CD1 4.33Å; Y311-L322 HydrophobicContact CG-CD2 4.19Å; Y311-V353 HydrophobicContact CD1-CG1 3.98Å; Y311-V353 HydrophobicContact CE1-CG1 4.33Å; Y311-L357 HydrophobicContact CE1-CD2 4.26Å; Y311-L357 HydrophobicContact CE1-CG 4.14Å; Y311-L357 WeakPolarHBondContact OH-CD2 3.18Å
312K85.2Confident86.4Confident96 Ų9654.2 Ų54.242%0.41725%0.246SC..Hα-helixtrans-56.5-37.4174.4173.6179.2-179.4172.20112.9L308 Y309 K314 D352L308-K312 PolarHBondContact O-N 2.98Å; Y309-K312 WeakPolarHBondContact O-CB 3.43Å; Y309-K312 PolarHBondContact O-N 3.4Å; K312-K314 PolarHBondContact O-N 3.05Å; K312-D352 HydrophobicContact CD-CB 3.59Å; K312-D352 VanDerWaalsContact CE-OD2 3.27Å; K312-D352 WeakPolarHBondContact CE-OD2 3.37Å; K312-D352 HydrophobicContact CG-CB 3.92Å; K312-D352 IonicContact NZ-OD1 2.83Å; K312-D352 IonicContact NZ-OD2 3.15Å; K312-D352 PolarHBondContact NZ-OD2 2.68Å
313E85.8Confident86.4Confident137 Ų13749.3 Ų49.364%0.6422%0.223SC*.THydrogen-bonded Turntrans-75.56.2176.4-70.7-169.4159.300113.9Y309 Q310 Y311 Q315Y309-E313 PolarHBondContact O-N 3.03Å; Q310-E313 PolarHBondContact O-N 3.5Å; Y311-E313 VanDerWaalsContact C-N 3.26Å; Y311-E313 PolarHBondContact O-N 2.9Å; E313-Q315 HydrophobicContact CB-CG 4.31Å; E313-Q315 PolarHBondContact O-N 3.42Å; E313-Q315 PolarHBondContact OE2-NE2 3.03Å
314K81.9Confident86.4Confident198 Ų19849.4 Ų49.486%0.86122%0.222SC*.THydrogen-bonded Turntrans62.628.5-174.9-53.1-173.8174.1-165.80113.5Y311 K312Y311-K314 WeakPolarHBondContact O-CA 3.46Å; Y311-K314 PolarHBondContact O-N 2.95Å; K312-K314 PolarHBondContact O-N 3.05Å
315Q84.6Confident86.5Confident90 Ų9049.3 Ų49.342%0.42122%0.222SC..  trans-80.5138.9166.6-56-177.111.100108.7Q310 E313 V317Q310-Q315 HydrophobicContact CB-CB 4.35Å; Q310-Q315 WeakPolarHBondContact O-CB 3.38Å; Q310-Q315 PolarHBondContact O-N 3.48Å; E313-Q315 HydrophobicContact CB-CG 4.31Å; E313-Q315 PolarHBondContact O-N 3.42Å; E313-Q315 PolarHBondContact OE2-NE2 3.03Å; Q315-V317 PolarHBondContact O-N 3.22Å
316Y83.6Confident86.6Confident54 Ų5448.9 Ų48.921%0.21222%0.219CC..  trans-62.3127.8179.9178.8-90.6000110.6E249 R252 P253 W258 A318E249-Y316 PolarHBondContact O-OH 3.26Å; R252-Y316 HydrophobicContact CB-CE1 3.67Å; R252-Y316 WeakPolarHBondContact CB-OH 3.37Å; R252-Y316 HydrophobicContact CG-CE1 4.41Å; P253-Y316 VanDerWaalsContact CD-OH 3.3Å; P253-Y316 WeakPolarHBondContact CD-OH 3.44Å; P253-Y316 WeakPolarHBondContact CG-OH 3.38Å; W258-Y316 AromaticContact CE2-CD1 3.89Å; W258-Y316 AromaticContact CE2-CE1 3.88Å; W258-Y316 WeakPolarHBondContact CH2-O 3.2Å; W258-Y316 AromaticContact CZ2-CD1 3.69Å; W258-Y316 HydrophobicContact CZ2-CD1 3.69Å; W258-Y316 HydrophobicContact CZ2-CE1 4.13Å; W258-Y316 VanDerWaalsContact CZ2-O 3.26Å; W258-Y316 WeakPolarHBondContact CZ2-O 3.24Å; W258-Y316 AromaticContact NE1-CD1 3.93Å; W258-Y316 AromaticContact NE1-CE1 3.73Å; Y316-A318 HydrophobicContact CE1-CB 4.5Å
317V84.2Confident86.7Confident11 Ų1147.9 Ų47.97%0.06722%0.217CC..  trans-127.4128.5171.5179.60000107.6W258 V307 Y311 Q315 V321 L322W258-V317 HydrophobicContact CH2-CB 4.38Å; W258-V317 HydrophobicContact CH2-CG1 4.48Å; W258-V317 HydrophobicContact CH2-CG2 4.49Å; W258-V317 HydrophobicContact CZ3-CB 4.48Å; W258-V317 HydrophobicContact CZ3-CG1 4.11Å; V307-V317 HydrophobicContact CG1-CG1 4.03Å; Y311-V317 HydrophobicContact CD2-CB 4.45Å; Q315-V317 PolarHBondContact O-N 3.22Å; V317-V321 HydrophobicContact CG1-CB 4.22Å; V317-V321 HydrophobicContact CG1-CG1 3.96Å; V317-L322 HydrophobicContact CG1-CB 4.21Å
318A86.1Confident86.8Confident4 Ų448 Ų483%0.03322%0.218CC..  trans-58.8135.9179.400000111W258 Y316 R320 V321 L322W258-A318 HydrophobicContact CB-CB 3.96Å; W258-A318 HydrophobicContact CD2-CB 3.69Å; W258-A318 HydrophobicContact CE3-CB 3.57Å; W258-A318 HydrophobicContact CG-CB 3.87Å; W258-A318 HydrophobicContact CZ3-CB 4.33Å; Y316-A318 HydrophobicContact CE1-CB 4.5Å; A318-R320 VanDerWaalsContact C-N 3.31Å; A318-R320 PolarHBondContact O-N 2.99Å; A318-V321 HydrophobicContact CB-CB 4.41Å; A318-V321 HydrophobicContact CB-CG2 4.19Å; A318-V321 WeakPolarHBondContact O-CA 3.35Å; A318-V321 WeakPolarHBondContact O-CB 3.5Å; A318-V321 PolarHBondContact O-N 2.64Å; A318-L322 PolarHBondContact O-N 2.97Å; A318-L322 VanDerWaalsContact O-N 3.09Å
319P85.6Confident87Confident61 Ų6147.9 Ų47.940%0.39622%0.217SC..Hα-helixtrans-50.6-47.1-175.8-30.735.4000113.4V321 L322 Q323 P389P319-V321 VanDerWaalsContact C-N 3.27Å; P319-V321 PolarHBondContact O-N 3Å; P319-L322 WeakPolarHBondContact O-CB 3.15Å; P319-L322 PolarHBondContact O-N 3.06Å; P319-L322 VanDerWaalsContact O-N 3.09Å; P319-Q323 WeakPolarHBondContact O-CB 3.46Å; P319-Q323 PolarHBondContact O-N 3.37Å; P319-P389 HydrophobicContact CB-CG 3.73Å
320R85.2Confident87.1Confident69 Ų6944.4 Ų44.426%0.2621%0.205SC..Hα-helixtrans-65.9-26.8-179.8-16354.2160.9172.6-10.5113.9K262 A318 Q324 F386K262-R320 HydrophobicContact CD-CB 4.14Å; K262-R320 HydrophobicContact CD-CG 3.54Å; K262-R320 HydrophobicContact CG-CB 4.43Å; K262-R320 HydrophobicContact CG-CG 3.86Å; A318-R320 VanDerWaalsContact C-N 3.31Å; A318-R320 PolarHBondContact O-N 2.99Å; R320-Q324 WeakPolarHBondContact O-CB 3.43Å; R320-Q324 WeakPolarHBondContact O-CG 3.44Å; R320-Q324 PolarHBondContact O-N 3.01Å; R320-F386 PolarHBondContact NH1-O 3.22Å
321V88.4Confident87.2Confident3 Ų345.4 Ų45.42%0.01821%0.21CC..Hα-helixtrans-74.3-41.6174170.40000109.6W258 K261 K262 L265 V307 V317 A318 P319 T325W258-V321 HydrophobicContact CE3-CG2 4.08Å; W258-V321 HydrophobicContact CZ3-CG1 4.39Å; K261-V321 HydrophobicContact CB-CG2 4.18Å; K262-V321 HydrophobicContact CB-CG2 4.18Å; L265-V321 HydrophobicContact CD1-CB 4.1Å; L265-V321 HydrophobicContact CD1-CG1 3.46Å; L265-V321 VanDerWaalsContact CD1-CG1 3.46Å; L265-V321 HydrophobicContact CD1-CG2 4.46Å; L265-V321 WeakPolarHBondContact CD1-O 3.01Å; V307-V321 HydrophobicContact CG1-CG1 4.32Å; V317-V321 HydrophobicContact CG1-CB 4.22Å; V317-V321 HydrophobicContact CG1-CG1 3.96Å; A318-V321 HydrophobicContact CB-CB 4.41Å; A318-V321 HydrophobicContact CB-CG2 4.19Å; A318-V321 WeakPolarHBondContact O-CA 3.35Å; A318-V321 WeakPolarHBondContact O-CB 3.5Å; A318-V321 PolarHBondContact O-N 2.64Å; P319-V321 VanDerWaalsContact C-N 3.27Å; P319-V321 PolarHBondContact O-N 3Å; V321-T325 WeakPolarHBondContact O-CB 3.34Å; V321-T325 PolarHBondContact O-N 3.43Å; V321-T325 PolarHBondContact O-OG1 3.38Å
322L89.1Confident87.2Confident4 Ų442.4 Ų42.42%0.02120%0.199CC..Hα-helixtrans-64-48.5176.6-174.658.2000111.4L308 Y311 V317 A318 P319 Q324 T325 L326 L357 P389L308-L322 HydrophobicContact CD2-CD1 3.65Å; Y311-L322 HydrophobicContact CD1-CD2 4.47Å; Y311-L322 HydrophobicContact CD2-CD2 3.79Å; Y311-L322 HydrophobicContact CE1-CD2 4.36Å; Y311-L322 HydrophobicContact CE2-CD2 3.67Å; Y311-L322 HydrophobicContact CG-CD1 4.33Å; Y311-L322 HydrophobicContact CG-CD2 4.19Å; V317-L322 HydrophobicContact CG1-CB 4.21Å; A318-L322 PolarHBondContact O-N 2.97Å; A318-L322 VanDerWaalsContact O-N 3.09Å; P319-L322 WeakPolarHBondContact O-CB 3.15Å; P319-L322 PolarHBondContact O-N 3.06Å; P319-L322 VanDerWaalsContact O-N 3.09Å; L322-Q324 PolarHBondContact O-N 3.44Å; L322-T325 WeakPolarHBondContact O-CB 3.48Å; L322-T325 PolarHBondContact O-N 3.14Å; L322-T325 VanDerWaalsContact O-N 3.11Å; L322-L326 HydrophobicContact CG-CD1 4.34Å; L322-L326 WeakPolarHBondContact O-CG 3.23Å; L322-L326 PolarHBondContact O-N 2.74Å; L322-L357 HydrophobicContact CD2-CD1 4.03Å; L322-L357 HydrophobicContact CD2-CD2 3.83Å; L322-L357 HydrophobicContact CD2-CG 4.48Å; L322-P389 HydrophobicContact CD2-CB 4.2Å; L322-P389 HydrophobicContact CG-CB 4.37Å
323Q88.8Confident87.2Confident9 Ų937.9 Ų37.94%0.04218%0.179CC..Hα-helixtrans-55.4-47.9177.7-176.7-95.9-11.100112.2P319 T325 L326 N327 F386 I387 P389 A392P319-Q323 WeakPolarHBondContact O-CB 3.46Å; P319-Q323 PolarHBondContact O-N 3.37Å; Q323-T325 VanDerWaalsContact C-N 3.32Å; Q323-T325 PolarHBondContact O-N 3.43Å; Q323-L326 PolarHBondContact O-N 3.11Å; Q323-N327 PolarHBondContact NE2-ND2 2.98Å; Q323-N327 PolarHBondContact O-N 3.46Å; Q323-N327 PolarHBondContact O-OD1 3.2Å; Q323-F386 PolarHBondContact NE2-O 3.36Å; Q323-I387 WeakPolarHBondContact CG-O 3.38Å; Q323-P389 HydrophobicContact CB-CG 4.4Å; Q323-A392 HydrophobicContact CG-CB 3.79Å
324Q88.2Confident87Confident21 Ų2132.1 Ų32.110%0.09816%0.155CC..Hα-helixtrans-68.8-32178.6-66.1-72.9-39.900113L265 H266 R320 L322 Y328L265-Q324 HydrophobicContact CB-CB 4Å; L265-Q324 HydrophobicContact CD1-CB 4.38Å; H266-Q324 WeakPolarHBondContact CD2-CG 3.37Å; H266-Q324 PolarHBondContact CD2-OE1 3.49Å; H266-Q324 VanDerWaalsContact CD2-OE1 3.24Å; H266-Q324 WeakPolarHBondContact NE2-CG 3.38Å; H266-Q324 PolarHBondContact NE2-NE2 3.35Å; H266-Q324 VanDerWaalsContact NE2-NE2 3.12Å; R320-Q324 WeakPolarHBondContact O-CB 3.43Å; R320-Q324 WeakPolarHBondContact O-CG 3.44Å; R320-Q324 PolarHBondContact O-N 3.01Å; L322-Q324 PolarHBondContact O-N 3.44Å; Q324-Y328 PolarHBondContact O-N 2.92Å
325T91.6Very high87Confident0 Ų023.2 Ų23.20%012%0.116CC..Hα-helixtrans-64.5-43.8173.6-59.60000110.4L304 V307 L308 V321 L322 Q323 I329L304-T325 HydrophobicContact CB-CG2 3.87Å; L304-T325 HydrophobicContact CD2-CG2 4.15Å; L304-T325 HydrophobicContact CG-CG2 4.44Å; V307-T325 HydrophobicContact CB-CG2 4.45Å; L308-T325 HydrophobicContact CD2-CG2 3.62Å; L308-T325 HydrophobicContact CG-CG2 3.89Å; V321-T325 WeakPolarHBondContact O-CB 3.34Å; V321-T325 PolarHBondContact O-N 3.43Å; V321-T325 PolarHBondContact O-OG1 3.38Å; L322-T325 WeakPolarHBondContact O-CB 3.48Å; L322-T325 PolarHBondContact O-N 3.14Å; L322-T325 VanDerWaalsContact O-N 3.11Å; Q323-T325 VanDerWaalsContact C-N 3.32Å; Q323-T325 PolarHBondContact O-N 3.43Å; T325-I329 HydrophobicContact CG2-CD1 4.17Å; T325-I329 VanDerWaalsContact O-CG1 3.31Å; T325-I329 WeakPolarHBondContact O-CG1 3.43Å; T325-I329 PolarHBondContact O-N 3.43Å; T325-I329 VanDerWaalsContact O-N 3.15Å
326L90.7Very high86.9Confident0 Ų019.2 Ų19.20%010%0.098CC..Hα-helixtrans-64.3-45.3176.3-65.6171000111.3L308 L322 Q323 Y328 I329 N330 V353 L357 P389 A392 A393 L396L308-L326 HydrophobicContact CD2-CD2 4.21Å; L322-L326 HydrophobicContact CG-CD1 4.34Å; L322-L326 WeakPolarHBondContact O-CG 3.23Å; L322-L326 PolarHBondContact O-N 2.74Å; Q323-L326 PolarHBondContact O-N 3.11Å; L326-Y328 PolarHBondContact O-N 3.27Å; L326-I329 PolarHBondContact O-N 3.13Å; L326-I329 VanDerWaalsContact O-N 3.16Å; L326-N330 WeakPolarHBondContact O-CB 3.38Å; L326-N330 PolarHBondContact O-N 3.37Å; L326-V353 HydrophobicContact CD2-CG1 4.36Å; L326-L357 HydrophobicContact CD1-CD1 3.87Å; L326-P389 WeakPolarHBondContact CD1-O 3.31Å; L326-A392 HydrophobicContact CB-CB 4.05Å; L326-A392 HydrophobicContact CD1-CB 4.22Å; L326-A393 HydrophobicContact CD1-CB 4.09Å; L326-L396 HydrophobicContact CD2-CD2 3.66Å
327N89Confident87Confident53 Ų5319.3 Ų19.328%0.28311%0.105SC..Hα-helixtrans-60.8-42.3177.6-69.93.1000112.7Q323 I329 N330 Q331 A392Q323-N327 PolarHBondContact NE2-ND2 2.98Å; Q323-N327 PolarHBondContact O-N 3.46Å; Q323-N327 PolarHBondContact O-OD1 3.2Å; N327-I329 VanDerWaalsContact C-N 3.32Å; N327-I329 PolarHBondContact O-N 2.91Å; N327-N330 WeakPolarHBondContact O-CB 3.35Å; N327-N330 PolarHBondContact O-N 3.12Å; N327-Q331 PolarHBondContact O-N 3.18Å; N327-A392 VanDerWaalsContact OD1-CB 3.26Å; N327-A392 WeakPolarHBondContact OD1-CB 3.33Å
328Y89.9Confident87.1Confident7 Ų718.8 Ų18.83%0.02710%0.102CC..Hα-helixtrans-62.2-42.1176.1-171.4-77.5000111.6L268 F272 A297 A300 Q301 L304 Q324 L326 N330 G332L268-Y328 HydrophobicContact CB-CD2 4.19Å; L268-Y328 HydrophobicContact CB-CE2 4.04Å; L268-Y328 WeakPolarHBondContact O-CE2 3.33Å; F272-Y328 HydrophobicContact CB-CD2 4.28Å; F272-Y328 HydrophobicContact CB-CE2 3.77Å; F272-Y328 HydrophobicContact CD1-CD1 4.19Å; F272-Y328 HydrophobicContact CD1-CD2 4.04Å; F272-Y328 AromaticContact CD1-CE1 3.9Å; F272-Y328 HydrophobicContact CD1-CE1 3.9Å; F272-Y328 AromaticContact CD1-CE2 3.7Å; F272-Y328 HydrophobicContact CD1-CE2 3.7Å; F272-Y328 HydrophobicContact CD1-CG 4.25Å; F272-Y328 AromaticContact CD1-CZ 3.62Å; F272-Y328 HydrophobicContact CE1-CD1 4.49Å; F272-Y328 HydrophobicContact CE1-CE1 4.15Å; F272-Y328 HydrophobicContact CG-CE2 4.12Å; A297-Y328 WeakPolarHBondContact CA-OH 3.37Å; A297-Y328 PolarHBondContact O-OH 3.41Å; A300-Y328 HydrophobicContact CB-CE1 4.33Å; A300-Y328 WeakPolarHBondContact CB-OH 3.5Å; Q301-Y328 HydrophobicContact CB-CE1 4.44Å; L304-Y328 HydrophobicContact CD1-CD1 3.16Å; L304-Y328 HydrophobicContact CD1-CD2 4.12Å; L304-Y328 HydrophobicContact CD1-CE1 3.84Å; L304-Y328 HydrophobicContact CD1-CG 3.34Å; Q324-Y328 PolarHBondContact O-N 2.92Å; L326-Y328 PolarHBondContact O-N 3.27Å; Y328-N330 VanDerWaalsContact C-N 3.29Å; Y328-G332 PolarHBondContact O-N 3.49Å; Y328-G332 VanDerWaalsContact O-N 3.08Å
329I91.1Very high87.1Confident0 Ų019 Ų190%010%0.101CC..Hα-helixtrans-66.5-36.9177-67.2168000110.3L308 T325 L326 N327 G332 I333 L342 L396L308-I329 HydrophobicContact CD1-CD1 3.3Å; L308-I329 HydrophobicContact CG-CD1 4.02Å; T325-I329 HydrophobicContact CG2-CD1 4.17Å; T325-I329 VanDerWaalsContact O-CG1 3.31Å; T325-I329 WeakPolarHBondContact O-CG1 3.43Å; T325-I329 PolarHBondContact O-N 3.43Å; T325-I329 VanDerWaalsContact O-N 3.15Å; L326-I329 PolarHBondContact O-N 3.13Å; L326-I329 VanDerWaalsContact O-N 3.16Å; N327-I329 VanDerWaalsContact C-N 3.32Å; N327-I329 PolarHBondContact O-N 2.91Å; I329-G332 CarbonylContact O-C 3.56Å; I329-G332 WeakPolarHBondContact O-CA 3.47Å; I329-G332 PolarHBondContact O-N 2.81Å; I329-G332 VanDerWaalsContact O-N 3.09Å; I329-I333 PolarHBondContact O-N 2.81Å; I329-L342 HydrophobicContact CG2-CD1 3.87Å; I329-L342 HydrophobicContact CG2-CD2 3.69Å; I329-L342 HydrophobicContact CG2-CG 4.44Å; I329-L396 HydrophobicContact CB-CD1 4.38Å; I329-L396 HydrophobicContact CG2-CD1 3.89Å; I329-L396 HydrophobicContact CG2-CD2 4.49Å
330N89.4Confident87.2Confident25 Ų2521.7 Ų21.713%0.13411%0.107CC..Hα-helixtrans-58.3-52.1176.3-169.148.7000111.3L326 N327 Y328 G332 I333 T395 L396 T399L326-N330 WeakPolarHBondContact O-CB 3.38Å; L326-N330 PolarHBondContact O-N 3.37Å; N327-N330 WeakPolarHBondContact O-CB 3.35Å; N327-N330 PolarHBondContact O-N 3.12Å; Y328-N330 VanDerWaalsContact C-N 3.29Å; N330-G332 PolarHBondContact O-N 3.22Å; N330-I333 WeakPolarHBondContact O-CB 3.36Å; N330-I333 PolarHBondContact O-N 3.2Å; N330-T395 PolarHBondContact OD1-O 3.47Å; N330-L396 HydrophobicContact CB-CD1 3.89Å; N330-L396 WeakPolarHBondContact OD1-CA 3.11Å; N330-T399 WeakPolarHBondContact OD1-CB 3.26Å; N330-T399 WeakPolarHBondContact OD1-CG2 3.38Å; N330-T399 PolarHBondContact OD1-OG1 3.4Å
331Q86.6Confident87.3Confident47 Ų4720.3 Ų20.322%0.2211%0.105CC..Hα-helixtrans-57.9-35.5174.5-166.563.118.700111.9F272 S277 N327 I333 A334 H335F272-Q331 HydrophobicContact CD1-CB 3.77Å; F272-Q331 HydrophobicContact CD1-CG 3.74Å; F272-Q331 HydrophobicContact CD2-CG 4.1Å; F272-Q331 HydrophobicContact CE1-CB 3.76Å; F272-Q331 HydrophobicContact CE1-CG 3.8Å; F272-Q331 HydrophobicContact CE2-CG 4.12Å; F272-Q331 HydrophobicContact CG-CB 4.41Å; F272-Q331 HydrophobicContact CG-CG 3.9Å; F272-Q331 HydrophobicContact CZ-CB 4.37Å; F272-Q331 HydrophobicContact CZ-CG 3.99Å; S277-Q331 PolarHBondContact OG-NE2 3.21Å; N327-Q331 PolarHBondContact O-N 3.18Å; Q331-I333 PolarHBondContact O-N 2.83Å; Q331-A334 PolarHBondContact O-N 3.2Å; Q331-H335 PolarHBondContact O-CD2 3.13Å
332G85.3Confident87.2Confident2 Ų220.1 Ų20.12%0.02110%0.104CC..Hα-helixtrans-68.1-13.4177.300000115.1Y328 I329 N330 T338Y328-G332 PolarHBondContact O-N 3.49Å; Y328-G332 VanDerWaalsContact O-N 3.08Å; I329-G332 CarbonylContact O-C 3.56Å; I329-G332 WeakPolarHBondContact O-CA 3.47Å; I329-G332 PolarHBondContact O-N 2.81Å; I329-G332 VanDerWaalsContact O-N 3.09Å; N330-G332 PolarHBondContact O-N 3.22Å; G332-T338 WeakPolarHBondContact O-CB 3.38Å; G332-T338 PolarHBondContact O-OG1 2.91Å
333I85.3Confident87.1Confident0 Ų024.6 Ų24.60%012%0.123CC..Hα-helixtrans-74.9-34177.9-69164.1000111.4I329 N330 Q331 H335 W339 L342 L396 T399 S400 K403 R404I329-I333 PolarHBondContact O-N 2.81Å; N330-I333 WeakPolarHBondContact O-CB 3.36Å; N330-I333 PolarHBondContact O-N 3.2Å; Q331-I333 PolarHBondContact O-N 2.83Å; I333-H335 PolarHBondContact O-N 2.77Å; I333-W339 HydrophobicContact CG1-CE3 4.45Å; I333-W339 HydrophobicContact CG1-CZ3 4.36Å; I333-W339 HydrophobicContact CG2-CE3 4.38Å; I333-W339 HydrophobicContact CG2-CZ3 4.41Å; I333-L342 HydrophobicContact CG1-CD2 3.69Å; I333-L396 HydrophobicContact CD1-CD1 3.42Å; I333-L396 VanDerWaalsContact CD1-CD1 3.42Å; I333-T399 HydrophobicContact CB-CG2 4.39Å; I333-T399 HydrophobicContact CG2-CG2 4.28Å; I333-S400 WeakPolarHBondContact CD1-OG 3.47Å; I333-K403 HydrophobicContact CG2-CB 4.41Å; I333-R404 HydrophobicContact CG2-CG 3.78Å; I333-R404 PolarHBondContact O-NE 3.3Å; I333-R404 PolarHBondContact O-NH2 3.22Å
334A81.6Confident87.1Confident16 Ų1628.6 Ų28.613%0.13215%0.15CC..Hα-helixtrans-64.3-39.8-177.400000112Q331 K403 R404Q331-A334 PolarHBondContact O-N 3.2Å; A334-K403 HydrophobicContact CB-CD 4.48Å; A334-R404 PolarHBondContact O-NH2 3.09Å
335H83.4Confident87.1Confident11 Ų1130.6 Ų30.65%0.05116%0.159CC..SBendtrans-88.1131.6-174.6-57.8-77000113.1F272 S277 L293 Q331 I333 V337 T338 W339F272-H335 AromaticContact CE2-CD2 3.65Å; F272-H335 AromaticContact CE2-NE2 3.94Å; F272-H335 AromaticContact CZ-CD2 3.64Å; S277-H335 WeakPolarHBondContact CB-NE2 3.46Å; S277-H335 PolarHBondContact OG-NE2 2.87Å; S277-H335 VanDerWaalsContact OG-NE2 3.13Å; L293-H335 HydrophobicContact CD1-CB 3.78Å; L293-H335 HydrophobicContact CD2-CB 4.15Å; Q331-H335 PolarHBondContact O-CD2 3.13Å; I333-H335 PolarHBondContact O-N 2.77Å; H335-V337 VanDerWaalsContact C-N 3.32Å; H335-V337 PolarHBondContact O-N 3.48Å; H335-T338 WeakPolarHBondContact CB-OG1 3.36Å; H335-T338 PolarHBondContact O-N 3.19Å; H335-T338 PolarHBondContact O-OG1 3.48Å; H335-W339 VanDerWaalsContact O-CB 3.24Å; H335-W339 WeakPolarHBondContact O-CB 3.45Å; H335-W339 PolarHBondContact O-N 3.01Å
336A82.4Confident87Confident6 Ų631 Ų315%0.0516%0.161CC..Hα-helixtrans-63.9-33.4-177.700000112.9K340 D907A336-K340 VanDerWaalsContact O-CG 3.31Å; A336-K340 WeakPolarHBondContact O-CG 3.3Å; A336-K340 PolarHBondContact O-N 3.36Å; A336-D907 WeakPolarHBondContact CA-OD1 3.26Å; A336-D907 WeakPolarHBondContact CB-OD1 3.49Å; A336-D907 PolarHBondContact N-OD1 2.99Å
337V85.7Confident86.9Confident57 Ų5735 Ų3535%0.34518%0.179SC..Hα-helixtrans-62.7-49.8179.3177.80000111.1V298 H335V298-V337 HydrophobicContact CG2-CG1 3.84Å; H335-V337 VanDerWaalsContact C-N 3.32Å; H335-V337 PolarHBondContact O-N 3.48Å
338T85.6Confident86.9Confident0 Ų033.7 Ų33.70%018%0.179CC..Hα-helixtrans-75.2-33.4178.444.60000111.6F272 L293 A297 V298 Q301 G332 H335 K340 N341 L342F272-T338 HydrophobicContact CZ-CG2 4.42Å; L293-T338 HydrophobicContact CD1-CG2 4.08Å; A297-T338 HydrophobicContact CB-CG2 3.79Å; V298-T338 HydrophobicContact CG2-CG2 4.37Å; Q301-T338 PolarHBondContact NE2-O 3.35Å; Q301-T338 PolarHBondContact OE1-O 3.32Å; G332-T338 WeakPolarHBondContact O-CB 3.38Å; G332-T338 PolarHBondContact O-OG1 2.91Å; H335-T338 WeakPolarHBondContact CB-OG1 3.36Å; H335-T338 PolarHBondContact O-N 3.19Å; H335-T338 PolarHBondContact O-OG1 3.48Å; T338-K340 PolarHBondContact O-N 3.45Å; T338-N341 PolarHBondContact O-N 3.37Å; T338-L342 PolarHBondContact O-N 3.47Å
339W87.2Confident86.9Confident7 Ų733.7 Ų33.73%0.02718%0.179CC..Hα-helixtrans-62.6-41.6176.1177.5-117000112.8I333 H335 N341 L342 K343 I346 R404 V407 S904I333-W339 HydrophobicContact CG1-CE3 4.45Å; I333-W339 HydrophobicContact CG1-CZ3 4.36Å; I333-W339 HydrophobicContact CG2-CE3 4.38Å; I333-W339 HydrophobicContact CG2-CZ3 4.41Å; H335-W339 VanDerWaalsContact O-CB 3.24Å; H335-W339 WeakPolarHBondContact O-CB 3.45Å; H335-W339 PolarHBondContact O-N 3.01Å; W339-N341 PolarHBondContact O-N 3.31Å; W339-N341 VanDerWaalsContact O-N 3.14Å; W339-L342 HydrophobicContact CE3-CB 4.1Å; W339-L342 HydrophobicContact CE3-CD2 4.11Å; W339-L342 HydrophobicContact CE3-CG 4.38Å; W339-L342 HydrophobicContact CZ3-CB 4.5Å; W339-L342 HydrophobicContact CZ3-CD2 4.19Å; W339-L342 HydrophobicContact CZ3-CG 4.38Å; W339-L342 PolarHBondContact O-N 3.21Å; W339-K343 HydrophobicContact CD2-CB 4.46Å; W339-K343 HydrophobicContact CZ2-CB 4.24Å; W339-K343 HydrophobicContact CZ2-CG 4.12Å; W339-K343 WeakPolarHBondContact O-CB 3.39Å; W339-K343 PolarHBondContact O-N 3.46Å; W339-I346 HydrophobicContact CH2-CB 4.3Å; W339-I346 HydrophobicContact CH2-CG1 4.24Å; W339-I346 HydrophobicContact CH2-CG2 3.92Å; W339-I346 HydrophobicContact CZ3-CB 4.31Å; W339-I346 HydrophobicContact CZ3-CG1 4.14Å; W339-I346 HydrophobicContact CZ3-CG2 4.42Å; W339-R404 HydrophobicContact CD2-CG 3.93Å; W339-R404 HydrophobicContact CE3-CG 4.03Å; W339-R404 HydrophobicContact CH2-CB 3.75Å; W339-R404 HydrophobicContact CH2-CG 3.69Å; W339-R404 HydrophobicContact CZ2-CB 3.57Å; W339-R404 HydrophobicContact CZ2-CG 3.57Å; W339-R404 HydrophobicContact CZ3-CB 4.45Å; W339-R404 HydrophobicContact CZ3-CG 3.91Å; W339-V407 HydrophobicContact CH2-CG2 3.92Å; W339-V407 HydrophobicContact CZ2-CG2 4.33Å; W339-S904 VanDerWaalsContact CD1-O 3.3Å
340K87.1Confident86.9Confident119 Ų11933.9 Ų33.952%0.51718%0.18SC..Hα-helixtrans-55-34.9177.2-79.2171.2-176.2172.60112.8A336 T338 D905A336-K340 VanDerWaalsContact O-CG 3.31Å; A336-K340 WeakPolarHBondContact O-CG 3.3Å; A336-K340 PolarHBondContact O-N 3.36Å; T338-K340 PolarHBondContact O-N 3.45Å; K340-D905 WeakPolarHBondContact CE-OD2 3.38Å; K340-D905 IonicContact NZ-OD2 2.81Å
341N85.9Confident86.9Confident39 Ų3935.4 Ų35.421%0.20919%0.187CC..Hα-helixtrans-81.4-33.4175.3-171.943.1000112.5V298 Q301 T338 W339 P344 H345V298-N341 HydrophobicContact CG1-CB 4.2Å; Q301-N341 PolarHBondContact OE1-ND2 2.97Å; Q301-N341 VanDerWaalsContact OE1-ND2 3.16Å; T338-N341 PolarHBondContact O-N 3.37Å; W339-N341 PolarHBondContact O-N 3.31Å; W339-N341 VanDerWaalsContact O-N 3.14Å; N341-P344 WeakPolarHBondContact O-CD 3.44Å; N341-H345 PolarHBondContact O-CD2 3.11Å
342L87.4Confident87Confident0 Ų035.9 Ų35.90%019%0.191CC..Hα-helixtrans-76-35.6-179.7-164.753.4000114.1L305 I329 I333 T338 W339 P344 H345 I346 I349L305-L342 HydrophobicContact CD2-CD1 4.18Å; I329-L342 HydrophobicContact CG2-CD1 3.87Å; I329-L342 HydrophobicContact CG2-CD2 3.69Å; I329-L342 HydrophobicContact CG2-CG 4.44Å; I333-L342 HydrophobicContact CG1-CD2 3.69Å; T338-L342 PolarHBondContact O-N 3.47Å; W339-L342 HydrophobicContact CE3-CB 4.1Å; W339-L342 HydrophobicContact CE3-CD2 4.11Å; W339-L342 HydrophobicContact CE3-CG 4.38Å; W339-L342 HydrophobicContact CZ3-CB 4.5Å; W339-L342 HydrophobicContact CZ3-CD2 4.19Å; W339-L342 HydrophobicContact CZ3-CG 4.38Å; W339-L342 PolarHBondContact O-N 3.21Å; L342-P344 VanDerWaalsContact C-CD 3.43Å; L342-H345 WeakPolarHBondContact O-CA 3.12Å; L342-H345 PolarHBondContact O-N 3.25Å; L342-I346 HydrophobicContact CD2-CD1 4.2Å; L342-I346 HydrophobicContact CG-CB 4.45Å; L342-I346 HydrophobicContact CG-CD1 4.26Å; L342-I346 PolarHBondContact O-N 2.98Å; L342-I349 HydrophobicContact CD1-CD1 3.74Å
343K87.4Confident87.2Confident97 Ų9736 Ų3642%0.42219%0.191SC..THydrogen-bonded Turntrans-46.7-44-173.4-173.7176.2-175.6176.70115W339 H345 I346 S904W339-K343 HydrophobicContact CD2-CB 4.46Å; W339-K343 HydrophobicContact CZ2-CB 4.24Å; W339-K343 HydrophobicContact CZ2-CG 4.12Å; W339-K343 WeakPolarHBondContact O-CB 3.39Å; W339-K343 PolarHBondContact O-N 3.46Å; K343-H345 VanDerWaalsContact C-N 3.29Å; K343-H345 PolarHBondContact O-N 3.21Å; K343-I346 WeakPolarHBondContact O-CG2 3.43Å; K343-S904 PolarHBondContact NZ-OG 3.1Å
344P88.4Confident87.4Confident94 Ų9436 Ų3661%0.6119%0.191SC*.THydrogen-bonded Turntrans-71.5-21.8177.227.2-34.8000114N341 L342N341-P344 WeakPolarHBondContact O-CD 3.44Å; L342-P344 VanDerWaalsContact C-CD 3.43Å
345H89.1Confident87.9Confident62 Ų6236 Ų3629%0.28719%0.188SC..THydrogen-bonded Turntrans-99.5-24.4-174.3-59.3-67.1000113.1L305 Y309 N341 L342 K343 Q347 G348 I349L305-H345 HydrophobicContact CD2-CB 4.37Å; Y309-H345 PolarHBondContact OH-ND1 3.45Å; N341-H345 PolarHBondContact O-CD2 3.11Å; L342-H345 WeakPolarHBondContact O-CA 3.12Å; L342-H345 PolarHBondContact O-N 3.25Å; K343-H345 VanDerWaalsContact C-N 3.29Å; K343-H345 PolarHBondContact O-N 3.21Å; H345-Q347 VanDerWaalsContact C-N 3.29Å; H345-Q347 PolarHBondContact O-N 3.49Å; H345-G348 WeakPolarHBondContact O-CA 3.47Å; H345-G348 PolarHBondContact O-N 3.25Å; H345-I349 HydrophobicContact CB-CD1 4.2Å; H345-I349 WeakPolarHBondContact O-CG1 3.47Å; H345-I349 PolarHBondContact O-N 3.42Å
346I89.1Confident88.2Confident8 Ų838 Ų384%0.04120%0.202CC..Hα-helixtrans-55-40.3-172.4-16560.2000113.5W339 L342 K343 G348 I349 I350W339-I346 HydrophobicContact CH2-CB 4.3Å; W339-I346 HydrophobicContact CH2-CG1 4.24Å; W339-I346 HydrophobicContact CH2-CG2 3.92Å; W339-I346 HydrophobicContact CZ3-CB 4.31Å; W339-I346 HydrophobicContact CZ3-CG1 4.14Å; W339-I346 HydrophobicContact CZ3-CG2 4.42Å; L342-I346 HydrophobicContact CD2-CD1 4.2Å; L342-I346 HydrophobicContact CG-CB 4.45Å; L342-I346 HydrophobicContact CG-CD1 4.26Å; L342-I346 PolarHBondContact O-N 2.98Å; K343-I346 WeakPolarHBondContact O-CG2 3.43Å; I346-G348 VanDerWaalsContact C-N 3.35Å; I346-G348 PolarHBondContact O-N 3.16Å; I346-I349 PolarHBondContact O-N 3.22Å; I346-I350 HydrophobicContact CG1-CD1 4.1Å; I346-I350 VanDerWaalsContact O-CG1 3.31Å; I346-I350 WeakPolarHBondContact O-CG1 3.41Å; I346-I350 PolarHBondContact O-N 2.82Å
347Q87.8Confident88.4Confident84 Ų8438.5 Ų38.539%0.39320%0.204SC..Hα-helixtrans-65.2-39.8178.4-175.2175.42.500111.8H345 Q351H345-Q347 VanDerWaalsContact C-N 3.29Å; H345-Q347 PolarHBondContact O-N 3.49Å; Q347-Q351 WeakPolarHBondContact O-CG 3.44Å; Q347-Q351 PolarHBondContact O-N 3.3Å; Q347-Q351 VanDerWaalsContact O-N 3.1Å
348G89Confident88.5Confident27 Ų2736 Ų3628%0.27819%0.188SC..Hα-helixtrans-68.4-38.1174.800000111.9H345 I346 Q351 D352H345-G348 WeakPolarHBondContact O-CA 3.47Å; H345-G348 PolarHBondContact O-N 3.25Å; I346-G348 VanDerWaalsContact C-N 3.35Å; I346-G348 PolarHBondContact O-N 3.16Å; G348-Q351 PolarHBondContact O-N 3.15Å; G348-D352 WeakPolarHBondContact O-CB 3.32Å; G348-D352 PolarHBondContact O-N 3.33Å
349I90.5Very high88.7Confident6 Ų636.8 Ų36.83%0.03119%0.194CC..Hα-helixtrans-62-45.6175.3-63.9166.7000110.3L305 L308 L342 H345 I346 Q351 V353 V354 L396L305-I349 HydrophobicContact CD2-CD1 3.57Å; L305-I349 HydrophobicContact CD2-CG1 4.47Å; L308-I349 HydrophobicContact CD1-CD1 4.17Å; L308-I349 HydrophobicContact CD1-CG1 4.11Å; L308-I349 HydrophobicContact CD1-CG2 3.91Å; L342-I349 HydrophobicContact CD1-CD1 3.74Å; H345-I349 HydrophobicContact CB-CD1 4.2Å; H345-I349 WeakPolarHBondContact O-CG1 3.47Å; H345-I349 PolarHBondContact O-N 3.42Å; I346-I349 PolarHBondContact O-N 3.22Å; I349-Q351 PolarHBondContact O-N 2.92Å; I349-V353 HydrophobicContact CG2-CB 4.38Å; I349-V353 WeakPolarHBondContact O-CA 3.45Å; I349-V353 VanDerWaalsContact O-CB 3.29Å; I349-V353 WeakPolarHBondContact O-CB 3.25Å; I349-V353 PolarHBondContact O-N 3.03Å; I349-V354 HydrophobicContact CG2-CG2 4.3Å; I349-V354 PolarHBondContact O-N 3.22Å; I349-L396 HydrophobicContact CG2-CD2 4.26Å
350I90.8Very high88.6Confident4 Ų437 Ų372%0.02120%0.195CC..Iπ-helixtrans-61.3-46.1178.5-69.1168.8000111I346 F355 L397 V407 T411 M435I346-I350 HydrophobicContact CG1-CD1 4.1Å; I346-I350 VanDerWaalsContact O-CG1 3.31Å; I346-I350 WeakPolarHBondContact O-CG1 3.41Å; I346-I350 PolarHBondContact O-N 2.82Å; I350-F355 WeakPolarHBondContact O-CB 3.35Å; I350-F355 PolarHBondContact O-N 3.35Å; I350-L397 HydrophobicContact CD1-CD1 4.4Å; I350-L397 HydrophobicContact CG1-CD1 4.37Å; I350-L397 HydrophobicContact CG2-CD1 4.05Å; I350-V407 HydrophobicContact CD1-CG1 3.6Å; I350-T411 HydrophobicContact CG2-CG2 4.29Å; I350-M435 HydrophobicContact CG2-CE 3.54Å
351Q89.9Confident88.6Confident57 Ų5733.6 Ų33.627%0.26618%0.184SC..Iπ-helixtrans-77.7-37.6-175.4-69.4-179.6-6.800114.1Q347 G348 I349 F414Q347-Q351 WeakPolarHBondContact O-CG 3.44Å; Q347-Q351 PolarHBondContact O-N 3.3Å; Q347-Q351 VanDerWaalsContact O-N 3.1Å; G348-Q351 PolarHBondContact O-N 3.15Å; I349-Q351 PolarHBondContact O-N 2.92Å; Q351-F414 HydrophobicContact CB-CE2 4.36Å; Q351-F414 HydrophobicContact CB-CZ 4.27Å; Q351-F414 HydrophobicContact CG-CD1 4.26Å; Q351-F414 HydrophobicContact CG-CD2 3.93Å; Q351-F414 HydrophobicContact CG-CE1 4.27Å; Q351-F414 HydrophobicContact CG-CE2 3.93Å; Q351-F414 HydrophobicContact CG-CG 4.08Å; Q351-F414 HydrophobicContact CG-CZ 4.09Å
352D88.1Confident88.6Confident58 Ų5837 Ų3731%0.3120%0.202SC..Iπ-helixtrans-103.8-14.8-169.5-59.2-59.4000113.8K312 G348K312-D352 HydrophobicContact CD-CB 3.59Å; K312-D352 VanDerWaalsContact CE-OD2 3.27Å; K312-D352 WeakPolarHBondContact CE-OD2 3.37Å; K312-D352 HydrophobicContact CG-CB 3.92Å; K312-D352 IonicContact NZ-OD1 2.83Å; K312-D352 IonicContact NZ-OD2 3.15Å; K312-D352 PolarHBondContact NZ-OD2 2.68Å; G348-D352 WeakPolarHBondContact O-CB 3.32Å; G348-D352 PolarHBondContact O-N 3.33Å
353V89.1Confident88.4Confident4 Ų440.7 Ų40.72%0.02423%0.228CC..Iπ-helixtrans-121.8-58.4-178.4-178.80000110.9L308 Y311 L326 I349 P356 L357L308-V353 HydrophobicContact CB-CG2 4.25Å; L308-V353 HydrophobicContact CD2-CG1 4.13Å; Y311-V353 HydrophobicContact CD1-CG1 3.98Å; Y311-V353 HydrophobicContact CE1-CG1 4.33Å; L326-V353 HydrophobicContact CD2-CG1 4.36Å; I349-V353 HydrophobicContact CG2-CB 4.38Å; I349-V353 WeakPolarHBondContact O-CA 3.45Å; I349-V353 VanDerWaalsContact O-CB 3.29Å; I349-V353 WeakPolarHBondContact O-CB 3.25Å; I349-V353 PolarHBondContact O-N 3.03Å; V353-P356 WeakPolarHBondContact O-CD 3.29Å; V353-L357 HydrophobicContact CG1-CD1 4.15Å; V353-L357 WeakPolarHBondContact O-CD1 3.41Å; V353-L357 VanDerWaalsContact O-CG 3.3Å; V353-L357 WeakPolarHBondContact O-CG 3.41Å; V353-L357 PolarHBondContact O-N 3.09Å
354V90.4Very high88.3Confident0 Ų038.4 Ų38.40%022%0.221CC..Iπ-helixtrans-65.6-49.1-177.2176.50000110.7I349 L357 M358 A393 L396 L397I349-V354 HydrophobicContact CG2-CG2 4.3Å; I349-V354 PolarHBondContact O-N 3.22Å; V354-L357 WeakPolarHBondContact O-CB 3.4Å; V354-L357 PolarHBondContact O-N 3.11Å; V354-L357 VanDerWaalsContact O-N 3.17Å; V354-M358 HydrophobicContact CG1-CG 4.14Å; V354-M358 WeakPolarHBondContact O-CG 3.37Å; V354-M358 PolarHBondContact O-N 3.22Å; V354-A393 HydrophobicContact CB-CB 4.39Å; V354-A393 HydrophobicContact CG1-CB 3.91Å; V354-A393 HydrophobicContact CG2-CB 4.36Å; V354-L396 HydrophobicContact CG2-CD2 4.06Å; V354-L397 HydrophobicContact CG1-CB 4.24Å
355F91.6Very high88.3Confident15 Ų1536.2 Ų36.27%0.06620%0.202CC..Hα-helixtrans-59.6-46.8-177.9173.3-104.7000113.5I350 L357 M358 C359 F414 I418 K428 A432 M435I350-F355 WeakPolarHBondContact O-CB 3.35Å; I350-F355 PolarHBondContact O-N 3.35Å; F355-L357 VanDerWaalsContact C-N 3.34Å; F355-L357 PolarHBondContact O-N 3.16Å; F355-M358 PolarHBondContact O-N 2.98Å; F355-M358 VanDerWaalsContact O-N 3.16Å; F355-C359 PolarHBondContact O-N 3.19Å; F355-C359 PolarHBondContact O-SG 2.84Å; F355-F414 HydrophobicContact CB-CE1 4.09Å; F355-F414 HydrophobicContact CD1-CE1 4.08Å; F355-F414 AromaticContact CD1-CZ 3.96Å; F355-F414 HydrophobicContact CD1-CZ 3.96Å; F355-F414 AromaticContact CD2-CE1 3.85Å; F355-F414 HydrophobicContact CD2-CE1 3.85Å; F355-F414 HydrophobicContact CE1-CE1 4.5Å; F355-F414 HydrophobicContact CE1-CZ 4.27Å; F355-F414 HydrophobicContact CE2-CE1 4.25Å; F355-F414 AromaticContact CG-CE1 3.73Å; F355-F414 HydrophobicContact CG-CE1 3.73Å; F355-F414 HydrophobicContact CG-CZ 4.09Å; F355-I418 HydrophobicContact CE1-CD1 4.09Å; F355-I418 HydrophobicContact CE2-CD1 3.78Å; F355-I418 HydrophobicContact CZ-CD1 3.52Å; F355-K428 HydrophobicContact CE1-CG 4.31Å; F355-K428 HydrophobicContact CZ-CB 3.98Å; F355-K428 HydrophobicContact CZ-CG 4.26Å; F355-K428 WeakPolarHBondContact CZ-O 3.5Å; F355-A432 HydrophobicContact CE2-CB 4.2Å; F355-M435 HydrophobicContact CB-SD 3.91Å; F355-M435 HydrophobicContact CD2-SD 3.56Å; F355-M435 VanDerWaalsContact CD2-SD 3.56Å; F355-M435 HydrophobicContact CG-SD 4.22Å
356P89.4Confident88.2Confident53 Ų5338.8 Ų38.834%0.34421%0.214SC..Hα-helixtrans-60.1-36.8173.3-28.537.3000114.8V353 M358 C359V353-P356 WeakPolarHBondContact O-CD 3.29Å; P356-M358 PolarHBondContact O-N 3.11Å; P356-C359 PolarHBondContact O-N 2.9Å
357L87.5Confident88.1Confident18 Ų1840.5 Ų40.59%0.09422%0.224CC..Hα-helixtrans-66.3-28.7175.6-72.5169.1000112.6Y311 L322 L326 V353 V354 F355 P389 T390 A393Y311-L357 HydrophobicContact CE1-CD2 4.26Å; Y311-L357 HydrophobicContact CE1-CG 4.14Å; Y311-L357 WeakPolarHBondContact OH-CD2 3.18Å; L322-L357 HydrophobicContact CD2-CD1 4.03Å; L322-L357 HydrophobicContact CD2-CD2 3.83Å; L322-L357 HydrophobicContact CD2-CG 4.48Å; L326-L357 HydrophobicContact CD1-CD1 3.87Å; V353-L357 HydrophobicContact CG1-CD1 4.15Å; V353-L357 WeakPolarHBondContact O-CD1 3.41Å; V353-L357 VanDerWaalsContact O-CG 3.3Å; V353-L357 WeakPolarHBondContact O-CG 3.41Å; V353-L357 PolarHBondContact O-N 3.09Å; V354-L357 WeakPolarHBondContact O-CB 3.4Å; V354-L357 PolarHBondContact O-N 3.11Å; V354-L357 VanDerWaalsContact O-N 3.17Å; F355-L357 VanDerWaalsContact C-N 3.34Å; F355-L357 PolarHBondContact O-N 3.16Å; L357-P389 HydrophobicContact CD2-CB 4.2Å; L357-T390 PolarHBondContact O-OG1 3.41Å; L357-A393 HydrophobicContact CB-CB 4.28Å; L357-A393 HydrophobicContact CD1-CB 4.04Å
358M87.1Confident88.2Confident3 Ų337.4 Ų37.42%0.01521%0.208CC..Hα-helixtrans-85-11.6179.5-66-70.7-79.800113.3V354 F355 P356 T390 Q394 G431 H434 M435V354-M358 HydrophobicContact CG1-CG 4.14Å; V354-M358 WeakPolarHBondContact O-CG 3.37Å; V354-M358 PolarHBondContact O-N 3.22Å; F355-M358 PolarHBondContact O-N 2.98Å; F355-M358 VanDerWaalsContact O-N 3.16Å; P356-M358 PolarHBondContact O-N 3.11Å; M358-T390 HydrophobicContact SD-CG2 3.9Å; M358-Q394 HydrophobicContact CE-CG 3.43Å; M358-Q394 VanDerWaalsContact CE-CG 3.43Å; M358-Q394 HydrophobicContact SD-CG 3.39Å; M358-Q394 WeakPolarHBondContact SD-CG 3.37Å; M358-G431 WeakPolarHBondContact O-CA 3.38Å; M358-H434 HydrophobicContact CE-CB 4.04Å; M358-H434 WeakPolarHBondContact CE-CD2 3.32Å; M358-H434 PolarHBondContact O-ND1 3.31Å; M358-M435 HydrophobicContact CB-CG 4.37Å; M358-M435 HydrophobicContact CE-CG 4.44Å; M358-M435 HydrophobicContact CG-CG 4.33Å
359C89.3Confident88.2Confident18 Ų1842.9 Ų42.912%0.12223%0.227CC..SBendtrans-83.2143.2178.5-66.40000110.7F355 P356 T361F355-C359 PolarHBondContact O-N 3.19Å; F355-C359 PolarHBondContact O-SG 2.84Å; P356-C359 PolarHBondContact O-N 2.9Å; C359-T361 WeakPolarHBondContact O-CG2 3.41Å; C359-T361 PolarHBondContact O-N 3.36Å
360Y85.8Confident88.2Confident10 Ų1049.9 Ų49.94%0.03926%0.259CS..PPolyproline II helixtrans-51.6125.7169.3-164-102000113D364 Q365 W368 Y375 R427 D430 Y471Y360-D364 HydrophobicContact CD1-CB 4.46Å; Y360-D364 HydrophobicContact CD2-CB 3.77Å; Y360-D364 HydrophobicContact CE1-CB 4.14Å; Y360-D364 HydrophobicContact CE2-CB 3.39Å; Y360-D364 HydrophobicContact CG-CB 4.31Å; Y360-D364 VanDerWaalsContact OH-C 3.25Å; Y360-D364 PolarHBondContact OH-O 3.48Å; Y360-Q365 HydrophobicContact CE1-CB 3.82Å; Y360-Q365 VanDerWaalsContact CE1-OE1 3.29Å; Y360-Q365 VanDerWaalsContact OH-CA 3.29Å; Y360-Q365 WeakPolarHBondContact OH-CA 3.46Å; Y360-Q365 PolarHBondContact OH-N 3.19Å; Y360-W368 VanDerWaalsContact OH-CB 3.25Å; Y360-W368 WeakPolarHBondContact OH-CB 3.31Å; Y360-Y375 HydrophobicContact CE2-CE2 4.41Å; Y360-R427 WeakPolarHBondContact O-CD 3.33Å; Y360-D430 PolarHBondContact N-OD2 3.38Å; Y360-D430 VanDerWaalsContact N-OD2 3.14Å; Y360-Y471 HydrophobicContact CD1-CD1 4.29Å; Y360-Y471 HydrophobicContact CD1-CD2 4.25Å; Y360-Y471 HydrophobicContact CD1-CE1 4.38Å; Y360-Y471 HydrophobicContact CD1-CE2 4.35Å; Y360-Y471 HydrophobicContact CD1-CG 4.22Å; Y360-Y471 HydrophobicContact CD2-CD2 4.27Å; Y360-Y471 HydrophobicContact CD2-CG 4.25Å; Y360-Y471 AromaticContact CE1-CD1 4Å; Y360-Y471 HydrophobicContact CE1-CD1 4Å; Y360-Y471 HydrophobicContact CE1-CE1 4.33Å; Y360-Y471 HydrophobicContact CE1-CG 4.16Å; Y360-Y471 HydrophobicContact CE2-CG 4.21Å; Y360-Y471 HydrophobicContact CG-CD2 4.03Å; Y360-Y471 HydrophobicContact CG-CE2 4.35Å; Y360-Y471 HydrophobicContact CG-CG 4.24Å
361T86.7Confident88.1Confident48 Ų4853.2 Ų53.229%0.29428%0.277SS..PPolyproline II helixtrans-98173.3-172.767.90000112.6C359 S363 D364 Q365C359-T361 WeakPolarHBondContact O-CG2 3.41Å; C359-T361 PolarHBondContact O-N 3.36Å; T361-S363 PolarHBondContact OG1-OG 3.19Å; T361-D364 WeakPolarHBondContact CB-OD2 3.47Å; T361-D364 PolarHBondContact N-OD2 3.39Å; T361-D364 PolarHBondContact OG1-N 3.17Å; T361-D364 PolarHBondContact OG1-OD1 3.07Å; T361-D364 PolarHBondContact OG1-OD2 2.93Å; T361-Q365 PolarHBondContact O-N 3.42Å
362D85.8Confident88Confident111 Ų11152.2 Ų52.259%0.59428%0.276SS*.Hα-helixtrans-71.9-33.3174-70.3-46.1000112D364 Q365 E366 R427D362-D364 VanDerWaalsContact C-N 3.34Å; D362-Q365 WeakPolarHBondContact O-CB 3.4Å; D362-Q365 PolarHBondContact O-N 3.49Å; D362-E366 PolarHBondContact O-N 3.3Å; D362-R427 IonicContact OD1-CZ 3.17Å; D362-R427 IonicContact OD1-NH1 2.69Å; D362-R427 PolarHBondContact OD1-NH1 2.91Å; D362-R427 IonicContact OD1-NH2 3.62Å; D362-R427 PolarHBondContact OD1-NH2 2.91Å; D362-R427 IonicContact OD2-NH1 3.6Å
363S83.2Confident87.9Confident77 Ų7753.5 Ų53.554%0.53828%0.276SS..Hα-helixtrans-65.4-37.9173.644.30000111.8T361 Q365 E366 L367T361-S363 PolarHBondContact OG1-OG 3.19Å; S363-Q365 VanDerWaalsContact C-N 3.29Å; S363-Q365 PolarHBondContact O-N 2.69Å; S363-E366 PolarHBondContact O-N 2.94Å; S363-L367 PolarHBondContact O-N 3.21Å
364D85.9Confident87.6Confident50 Ų5057 Ų5727%0.26729%0.293SS..Hα-helixtrans-64.4-36.4175-55.6-32.8000111.4Y360 T361 D362 W368 Y375Y360-D364 HydrophobicContact CD1-CB 4.46Å; Y360-D364 HydrophobicContact CD2-CB 3.77Å; Y360-D364 HydrophobicContact CE1-CB 4.14Å; Y360-D364 HydrophobicContact CE2-CB 3.39Å; Y360-D364 HydrophobicContact CG-CB 4.31Å; Y360-D364 VanDerWaalsContact OH-C 3.25Å; Y360-D364 PolarHBondContact OH-O 3.48Å; T361-D364 WeakPolarHBondContact CB-OD2 3.47Å; T361-D364 PolarHBondContact N-OD2 3.39Å; T361-D364 PolarHBondContact OG1-N 3.17Å; T361-D364 PolarHBondContact OG1-OD1 3.07Å; T361-D364 PolarHBondContact OG1-OD2 2.93Å; D362-D364 VanDerWaalsContact C-N 3.34Å; D364-W368 WeakPolarHBondContact O-CB 3.3Å; D364-W368 PolarHBondContact O-N 3.28Å; D364-Y375 HydrophobicContact CB-CE2 4.26Å
365Q87.9Confident87.4Confident47 Ų4758.4 Ų58.422%0.2230%0.298CS..Hα-helixtrans-66.4-43.8176.6-174.170.845.300111.6Y360 T361 D362 S363 W368 E369Y360-Q365 HydrophobicContact CE1-CB 3.82Å; Y360-Q365 VanDerWaalsContact CE1-OE1 3.29Å; Y360-Q365 VanDerWaalsContact OH-CA 3.29Å; Y360-Q365 WeakPolarHBondContact OH-CA 3.46Å; Y360-Q365 PolarHBondContact OH-N 3.19Å; T361-Q365 PolarHBondContact O-N 3.42Å; D362-Q365 WeakPolarHBondContact O-CB 3.4Å; D362-Q365 PolarHBondContact O-N 3.49Å; S363-Q365 VanDerWaalsContact C-N 3.29Å; S363-Q365 PolarHBondContact O-N 2.69Å; Q365-W368 PolarHBondContact O-N 3.05Å; Q365-E369 PolarHBondContact NE2-OE1 2.8Å; Q365-E369 WeakPolarHBondContact O-CG 3.39Å; Q365-E369 PolarHBondContact O-N 2.86Å
366E88.4Confident87.1Confident116 Ų11657.9 Ų57.954%0.54230%0.296SS..Hα-helixtrans-62.1-49178-173167.9-160.900110.4D362 S363 W368 E369 E370D362-E366 PolarHBondContact O-N 3.3Å; S363-E366 PolarHBondContact O-N 2.94Å; E366-W368 PolarHBondContact O-N 2.82Å; E366-E369 PolarHBondContact O-N 3.38Å; E366-E370 HydrophobicContact CG-CG 4.45Å; E366-E370 WeakPolarHBondContact O-CB 3.36Å; E366-E370 WeakPolarHBondContact O-CG 3.42Å; E366-E370 PolarHBondContact O-N 2.62Å
367L86.8Confident86.7Confident45 Ų4560.7 Ų60.724%0.23630%0.3CS..Hα-helixtrans-62.3-42.3177.5-169.862.3000112S363 E369 D371 E374 Y375 M378S363-L367 PolarHBondContact O-N 3.21Å; L367-E369 VanDerWaalsContact C-N 3.31Å; L367-E369 PolarHBondContact O-N 3.24Å; L367-D371 CarbonylContact O-C 3.07Å; L367-D371 WeakPolarHBondContact O-CA 3.38Å; L367-D371 PolarHBondContact O-N 3.36Å; L367-E374 HydrophobicContact CD1-CB 4.1Å; L367-E374 HydrophobicContact CD1-CG 4.04Å; L367-Y375 HydrophobicContact CD2-CD2 4.17Å; L367-Y375 HydrophobicContact CG-CD2 4.44Å; L367-M378 HydrophobicContact CD2-SD 3.57Å; L367-M378 VanDerWaalsContact CD2-SD 3.57Å
368W89.6Confident86.3Confident19 Ų1963.1 Ų63.17%0.07231%0.312CS..Hα-helixtrans-62-35.4177.6-173.7-73.1000113.3Y360 D364 Q365 E366 Y375 A474 E510 P512 V513Y360-W368 VanDerWaalsContact OH-CB 3.25Å; Y360-W368 WeakPolarHBondContact OH-CB 3.31Å; D364-W368 WeakPolarHBondContact O-CB 3.3Å; D364-W368 PolarHBondContact O-N 3.28Å; Q365-W368 PolarHBondContact O-N 3.05Å; E366-W368 PolarHBondContact O-N 2.82Å; W368-Y375 AromaticContact CE3-CD1 3.69Å; W368-Y375 HydrophobicContact CE3-CD1 3.69Å; W368-Y375 HydrophobicContact CE3-CD2 4.19Å; W368-Y375 AromaticContact CE3-CE1 3.47Å; W368-Y375 HydrophobicContact CE3-CE1 3.47Å; W368-Y375 VanDerWaalsContact CE3-CE1 3.47Å; W368-Y375 AromaticContact CE3-CE2 3.98Å; W368-Y375 HydrophobicContact CE3-CE2 3.98Å; W368-Y375 HydrophobicContact CE3-CG 4.05Å; W368-Y375 AromaticContact CE3-CZ 3.62Å; W368-Y375 AromaticContact CZ3-CD1 3.92Å; W368-Y375 HydrophobicContact CZ3-CD1 3.92Å; W368-Y375 AromaticContact CZ3-CE1 3.39Å; W368-Y375 HydrophobicContact CZ3-CE1 3.39Å; W368-Y375 AromaticContact CZ3-CZ 3.76Å; W368-A474 HydrophobicContact CH2-CB 3.91Å; W368-E510 VanDerWaalsContact CE2-OE2 3.25Å; W368-E510 HydrophobicContact CZ2-CB 4.43Å; W368-E510 WeakPolarHBondContact CZ2-OE2 3.45Å; W368-E510 PolarHBondContact NE1-OE2 3.01Å; W368-P512 HydrophobicContact CD2-CG 4.31Å; W368-P512 HydrophobicContact CE3-CB 4.21Å; W368-P512 HydrophobicContact CE3-CG 4.09Å; W368-P512 HydrophobicContact CH2-CB 3.46Å; W368-P512 VanDerWaalsContact CH2-CB 3.46Å; W368-P512 HydrophobicContact CH2-CG 3.88Å; W368-P512 HydrophobicContact CZ2-CB 4.08Å; W368-P512 HydrophobicContact CZ2-CG 4.05Å; W368-P512 HydrophobicContact CZ3-CB 3.52Å; W368-P512 HydrophobicContact CZ3-CG 3.88Å; W368-V513 HydrophobicContact CH2-CG2 4.22Å; W368-V513 HydrophobicContact CZ2-CG2 4.09Å
369E88.8Confident85.9Confident142 Ų14266.2 Ų66.266%0.66433%0.325SS*.Hα-helixtrans-83.2-37.3179.9-73.6-177.2-172.100113.2Q365 E366 L367Q365-E369 PolarHBondContact NE2-OE1 2.8Å; Q365-E369 WeakPolarHBondContact O-CG 3.39Å; Q365-E369 PolarHBondContact O-N 2.86Å; E366-E369 PolarHBondContact O-N 3.38Å; L367-E369 VanDerWaalsContact C-N 3.31Å; L367-E369 PolarHBondContact O-N 3.24Å
370E90.8Very high85.1Confident153 Ų15367.6 Ų67.672%0.71533%0.329SS*.Hα-helixtrans-85-46.3-176.5-65.5-162.8159.300112.7E366E366-E370 HydrophobicContact CG-CG 4.45Å; E366-E370 WeakPolarHBondContact O-CB 3.36Å; E366-E370 WeakPolarHBondContact O-CG 3.42Å; E366-E370 PolarHBondContact O-N 2.62Å
371D88.8Confident84.4Confident73 Ų7370 Ų7039%0.3934%0.343SS..  trans-145.285-178.8-161.8-22.9000112.3L367 Y373 E374 Y375L367-D371 CarbonylContact O-C 3.07Å; L367-D371 WeakPolarHBondContact O-CA 3.38Å; L367-D371 PolarHBondContact O-N 3.36Å; D371-Y373 PolarHBondContact O-N 3.41Å; D371-Y373 PolarHBondContact OD1-N 3.12Å; D371-Y373 VanDerWaalsContact OD1-N 3.14Å; D371-E374 HydrophobicContact CB-CB 4Å; D371-E374 PolarHBondContact O-N 2.92Å; D371-E374 PolarHBondContact OD1-N 3.41Å; D371-E374 VanDerWaalsContact OD1-N 3.12Å; D371-Y375 PolarHBondContact O-N 2.94Å; D371-Y375 VanDerWaalsContact O-N 3.12Å
372P87.1Confident83.5Confident37 Ų3772.3 Ų72.324%0.2436%0.356CS..Hα-helixtrans-67.1-18179.527.3-35.3000113.6I376 P512P372-I376 WeakPolarHBondContact O-CD1 3.24Å; P372-I376 VanDerWaalsContact O-CG1 3.31Å; P372-I376 WeakPolarHBondContact O-CG1 3.47Å; P372-I376 PolarHBondContact O-N 3Å; P372-P512 HydrophobicContact CB-CG 4.01Å
373Y86Confident82.4Confident84 Ų8474.3 Ų74.333%0.32936%0.36SS..Hα-helixtrans-78-42177.3-64.4-83.1000110.2D371 Y375 I376 R377 M511 E552 T553D371-Y373 PolarHBondContact O-N 3.41Å; D371-Y373 PolarHBondContact OD1-N 3.12Å; D371-Y373 VanDerWaalsContact OD1-N 3.14Å; Y373-Y375 VanDerWaalsContact C-N 3.32Å; Y373-Y375 PolarHBondContact O-N 3Å; Y373-I376 WeakPolarHBondContact O-CB 3.43Å; Y373-I376 PolarHBondContact O-N 2.93Å; Y373-I376 VanDerWaalsContact O-N 3.14Å; Y373-R377 WeakPolarHBondContact O-CG 3.32Å; Y373-R377 PolarHBondContact O-N 3.38Å; Y373-M511 HydrophobicContact CE1-CE 4.25Å; Y373-M511 HydrophobicContact CE1-CG 4.09Å; Y373-E552 HydrophobicContact CE1-CB 4.01Å; Y373-E552 WeakPolarHBondContact CE1-O 3.21Å; Y373-E552 PolarHBondContact OH-OE2 2.86Å; Y373-T553 HydrophobicContact CD1-CG2 4.21Å; Y373-T553 HydrophobicContact CE1-CG2 4.27Å
374E83.2Confident81.7Confident78 Ų7873.7 Ų73.736%0.36435%0.349SS..Hα-helixtrans-63.3-38.4172.1-172.165.8-17900111.7L367 D371 I376 R377 M378L367-E374 HydrophobicContact CD1-CB 4.1Å; L367-E374 HydrophobicContact CD1-CG 4.04Å; D371-E374 HydrophobicContact CB-CB 4Å; D371-E374 PolarHBondContact O-N 2.92Å; D371-E374 PolarHBondContact OD1-N 3.41Å; D371-E374 VanDerWaalsContact OD1-N 3.12Å; E374-I376 VanDerWaalsContact C-N 3.25Å; E374-I376 PolarHBondContact O-N 3.03Å; E374-R377 PolarHBondContact O-N 3.44Å; E374-R377 VanDerWaalsContact O-N 3.15Å; E374-M378 HydrophobicContact CG-CG 4.36Å; E374-M378 HydrophobicContact CG-SD 4.4Å; E374-M378 WeakPolarHBondContact O-CB 3.47Å; E374-M378 WeakPolarHBondContact O-CG 3.46Å; E374-M378 PolarHBondContact O-N 3.37Å
375Y85.8Confident80.8Confident30 Ų3075 Ų7512%0.11836%0.355CS..Hα-helixtrans-55.7-40.7172179.8-88.3000112.5Y360 D364 L367 W368 D371 Y373 K379 P512Y360-Y375 HydrophobicContact CE2-CE2 4.41Å; D364-Y375 HydrophobicContact CB-CE2 4.26Å; L367-Y375 HydrophobicContact CD2-CD2 4.17Å; L367-Y375 HydrophobicContact CG-CD2 4.44Å; W368-Y375 AromaticContact CE3-CD1 3.69Å; W368-Y375 HydrophobicContact CE3-CD1 3.69Å; W368-Y375 HydrophobicContact CE3-CD2 4.19Å; W368-Y375 AromaticContact CE3-CE1 3.47Å; W368-Y375 HydrophobicContact CE3-CE1 3.47Å; W368-Y375 VanDerWaalsContact CE3-CE1 3.47Å; W368-Y375 AromaticContact CE3-CE2 3.98Å; W368-Y375 HydrophobicContact CE3-CE2 3.98Å; W368-Y375 HydrophobicContact CE3-CG 4.05Å; W368-Y375 AromaticContact CE3-CZ 3.62Å; W368-Y375 AromaticContact CZ3-CD1 3.92Å; W368-Y375 HydrophobicContact CZ3-CD1 3.92Å; W368-Y375 AromaticContact CZ3-CE1 3.39Å; W368-Y375 HydrophobicContact CZ3-CE1 3.39Å; W368-Y375 AromaticContact CZ3-CZ 3.76Å; D371-Y375 PolarHBondContact O-N 2.94Å; D371-Y375 VanDerWaalsContact O-N 3.12Å; Y373-Y375 VanDerWaalsContact C-N 3.32Å; Y373-Y375 PolarHBondContact O-N 3Å; Y375-K379 HydrophobicContact CE1-CD 4.18Å; Y375-K379 VanDerWaalsContact O-CB 3.28Å; Y375-K379 WeakPolarHBondContact O-CB 3.41Å; Y375-K379 PolarHBondContact O-N 2.73Å; Y375-P512 HydrophobicContact CD1-CB 4.04Å; Y375-P512 HydrophobicContact CD1-CG 4.09Å; Y375-P512 HydrophobicContact CE1-CB 4.25Å
376I84.4Confident79.6Confident4 Ų479.4 Ų79.42%0.02137%0.374CS..Hα-helixtrans-67.5-48.9176.5-66.8159.3000109.3P372 Y373 E374 M378 K379 F380 M511 P512 V515 T553P372-I376 WeakPolarHBondContact O-CD1 3.24Å; P372-I376 VanDerWaalsContact O-CG1 3.31Å; P372-I376 WeakPolarHBondContact O-CG1 3.47Å; P372-I376 PolarHBondContact O-N 3Å; Y373-I376 WeakPolarHBondContact O-CB 3.43Å; Y373-I376 PolarHBondContact O-N 2.93Å; Y373-I376 VanDerWaalsContact O-N 3.14Å; E374-I376 VanDerWaalsContact C-N 3.25Å; E374-I376 PolarHBondContact O-N 3.03Å; I376-M378 PolarHBondContact O-N 3.42Å; I376-K379 PolarHBondContact O-N 2.96Å; I376-K379 VanDerWaalsContact O-N 3.16Å; I376-F380 HydrophobicContact CG2-CD2 3.8Å; I376-F380 HydrophobicContact CG2-CE2 4.15Å; I376-F380 VanDerWaalsContact O-CD2 3.28Å; I376-F380 WeakPolarHBondContact O-CD2 3.17Å; I376-F380 PolarHBondContact O-N 2.87Å; I376-M511 HydrophobicContact CD1-CB 4.11Å; I376-M511 HydrophobicContact CD1-CG 3.69Å; I376-P512 HydrophobicContact CD1-CB 4.28Å; I376-P512 HydrophobicContact CD1-CG 4.07Å; I376-P512 HydrophobicContact CG1-CB 3.95Å; I376-P512 HydrophobicContact CG1-CG 4Å; I376-V515 HydrophobicContact CD1-CG2 3.87Å; I376-V515 HydrophobicContact CG1-CG2 4.43Å; I376-V515 HydrophobicContact CG2-CG1 4.42Å; I376-V515 HydrophobicContact CG2-CG2 4.37Å; I376-T553 HydrophobicContact CD1-CG2 4Å
377R81Confident78.8Confident112 Ų11278.1 Ų78.142%0.42337%0.37SS..Hα-helixtrans-56.4-51.2-179.2-71.1176.6176-167.7-6.9112.2Y373 E374 K379 F380 D381 E554Y373-R377 WeakPolarHBondContact O-CG 3.32Å; Y373-R377 PolarHBondContact O-N 3.38Å; E374-R377 PolarHBondContact O-N 3.44Å; E374-R377 VanDerWaalsContact O-N 3.15Å; R377-K379 VanDerWaalsContact C-N 3.31Å; R377-K379 PolarHBondContact O-N 3.03Å; R377-F380 PolarHBondContact O-N 3.13Å; R377-D381 WeakPolarHBondContact O-CB 3.24Å; R377-D381 PolarHBondContact O-N 3.26Å; R377-E554 IonicContact NH2-OE2 2.86Å; R377-E554 PolarHBondContact NH2-OE2 3.09Å
378M79.6Confident78.6Confident69 Ų6977 Ų7734%0.3437%0.366SS..Hα-helixtrans-57.9-41.7176.6-73.4-169.970.800112.7L367 E374 I376 F380 D381 E384L367-M378 HydrophobicContact CD2-SD 3.57Å; L367-M378 VanDerWaalsContact CD2-SD 3.57Å; E374-M378 HydrophobicContact CG-CG 4.36Å; E374-M378 HydrophobicContact CG-SD 4.4Å; E374-M378 WeakPolarHBondContact O-CB 3.47Å; E374-M378 WeakPolarHBondContact O-CG 3.46Å; E374-M378 PolarHBondContact O-N 3.37Å; I376-M378 PolarHBondContact O-N 3.42Å; M378-F380 PolarHBondContact O-N 2.88Å; M378-D381 PolarHBondContact O-N 3.28Å; M378-E384 WeakPolarHBondContact CA-OE2 3.29Å; M378-E384 WeakPolarHBondContact CB-OE2 3.41Å; M378-E384 WeakPolarHBondContact CE-OE1 3.42Å; M378-E384 VanDerWaalsContact CE-OE2 3.26Å; M378-E384 WeakPolarHBondContact CE-OE2 3.48Å; M378-E384 WeakPolarHBondContact CG-OE2 3.46Å; M378-E384 VanDerWaalsContact O-OE2 3.05Å
379K78.4Confident78.4Confident67 Ų6777 Ų7729%0.29137%0.369SS..Hα-helixtrans-69.4-32.7-177.9-169.1-176.9178.7-168.80113.4Y375 I376 R377 E516Y375-K379 HydrophobicContact CE1-CD 4.18Å; Y375-K379 VanDerWaalsContact O-CB 3.28Å; Y375-K379 WeakPolarHBondContact O-CB 3.41Å; Y375-K379 PolarHBondContact O-N 2.73Å; I376-K379 PolarHBondContact O-N 2.96Å; I376-K379 VanDerWaalsContact O-N 3.16Å; R377-K379 VanDerWaalsContact C-N 3.31Å; R377-K379 PolarHBondContact O-N 3.03Å; K379-E516 WeakPolarHBondContact CE-OE1 3.03Å; K379-E516 IonicContact NZ-OE1 3.76Å; K379-E516 PolarHBondContact NZ-OE1 3.24Å
380F73.5Confident78.3Confident47 Ų4772.2 Ų72.221%0.20635%0.349CS..Hα-helixtrans-99.64.4-179.3-70.6-84.2000112.6I376 R377 M378 V382 V515 I519 N555 D557I376-F380 HydrophobicContact CG2-CD2 3.8Å; I376-F380 HydrophobicContact CG2-CE2 4.15Å; I376-F380 VanDerWaalsContact O-CD2 3.28Å; I376-F380 WeakPolarHBondContact O-CD2 3.17Å; I376-F380 PolarHBondContact O-N 2.87Å; R377-F380 PolarHBondContact O-N 3.13Å; M378-F380 PolarHBondContact O-N 2.88Å; F380-V382 PolarHBondContact O-N 2.92Å; F380-V515 HydrophobicContact CE2-CG1 3.7Å; F380-V515 HydrophobicContact CZ-CG1 3.85Å; F380-I519 HydrophobicContact CD1-CD1 4.49Å; F380-I519 HydrophobicContact CE1-CD1 3.36Å; F380-I519 HydrophobicContact CZ-CD1 3.51Å; F380-N555 WeakPolarHBondContact CB-ND2 3.21Å; F380-N555 WeakPolarHBondContact CG-ND2 3.34Å; F380-D557 VanDerWaalsContact CD1-OD2 3.26Å; F380-D557 WeakPolarHBondContact CD1-OD2 3.38Å
381D71.7Confident78.1Confident62 Ų6266.1 Ų66.133%0.33232%0.322SS..  trans-77.1109.8174.6-178.43.7000110.9R377 M378 F383 E384 D385R377-D381 WeakPolarHBondContact O-CB 3.24Å; R377-D381 PolarHBondContact O-N 3.26Å; M378-D381 PolarHBondContact O-N 3.28Å; D381-F383 PolarHBondContact O-N 2.94Å; D381-F383 WeakPolarHBondContact OD1-CA 3.44Å; D381-F383 WeakPolarHBondContact OD1-CB 3.34Å; D381-F383 WeakPolarHBondContact OD1-CD2 3.26Å; D381-F383 PolarHBondContact OD1-N 3.45Å; D381-E384 HydrophobicContact CB-CB 4.01Å; D381-E384 PolarHBondContact O-N 2.84Å; D381-E384 VanDerWaalsContact O-N 3.08Å; D381-D385 PolarHBondContact O-N 3.26Å
382V66.5Low78Confident95 Ų9562.8 Ų62.858%0.57631%0.305SS*.Hα-helixtrans-57.6-30.9176.1-176.50000111.8F380 F386F380-V382 PolarHBondContact O-N 2.92Å; V382-F386 HydrophobicContact CG1-CE2 4.18Å; V382-F386 WeakPolarHBondContact O-CD2 3.41Å; V382-F386 WeakPolarHBondContact O-CE2 3.24Å
383F63.6Low78.1Confident154 Ų15461 Ų6168%0.67529%0.293SS*.Hα-helixtrans-74.5-32.4178.3-63.7-71.5000112.7D381 D385 F386D381-F383 PolarHBondContact O-N 2.94Å; D381-F383 WeakPolarHBondContact OD1-CA 3.44Å; D381-F383 WeakPolarHBondContact OD1-CB 3.34Å; D381-F383 WeakPolarHBondContact OD1-CD2 3.26Å; D381-F383 PolarHBondContact OD1-N 3.45Å; F383-D385 VanDerWaalsContact C-N 3.29Å; F383-D385 PolarHBondContact O-N 3.38Å; F383-F386 PolarHBondContact O-N 3.33Å
384E68Low78.2Confident64 Ų6459.1 Ų59.130%0.29929%0.287SS..Hα-helixtrans-65.2-36.2176.2-170.2168171.200111.1M378 D381 F386 I387 S388M378-E384 WeakPolarHBondContact CA-OE2 3.29Å; M378-E384 WeakPolarHBondContact CB-OE2 3.41Å; M378-E384 WeakPolarHBondContact CE-OE1 3.42Å; M378-E384 VanDerWaalsContact CE-OE2 3.26Å; M378-E384 WeakPolarHBondContact CE-OE2 3.48Å; M378-E384 WeakPolarHBondContact CG-OE2 3.46Å; M378-E384 VanDerWaalsContact O-OE2 3.05Å; D381-E384 HydrophobicContact CB-CB 4.01Å; D381-E384 PolarHBondContact O-N 2.84Å; D381-E384 VanDerWaalsContact O-N 3.08Å; E384-F386 VanDerWaalsContact C-N 3.27Å; E384-F386 PolarHBondContact O-N 3.19Å; E384-I387 CarbonylContact O-C 3.53Å; E384-I387 WeakPolarHBondContact O-CA 3.48Å; E384-I387 PolarHBondContact O-N 3.12Å; E384-S388 WeakPolarHBondContact O-CB 3.41Å; E384-S388 PolarHBondContact O-N 3.46Å
385D66.3Low78.5Confident77 Ų7758.4 Ų58.441%0.41229%0.288SS..Hα-helixtrans-57.3-36.6176.6-91.4-25.1000113.4D381 F383 I387 T391D381-D385 PolarHBondContact O-N 3.26Å; F383-D385 VanDerWaalsContact C-N 3.29Å; F383-D385 PolarHBondContact O-N 3.38Å; D385-I387 PolarHBondContact O-N 2.88Å; D385-T391 HydrophobicContact CB-CG2 4.09Å; D385-T391 WeakPolarHBondContact O-CB 3.37Å; D385-T391 PolarHBondContact OD1-OG1 2.64Å
386F63.9Low78.7Confident139 Ų13957 Ų5761%0.6128%0.283SS*.THydrogen-bonded Turntrans-68.7-17.7176.3-70.8-74000113.5R320 Q323 V382 F383 E384R320-F386 PolarHBondContact NH1-O 3.22Å; Q323-F386 PolarHBondContact NE2-O 3.36Å; V382-F386 HydrophobicContact CG1-CE2 4.18Å; V382-F386 WeakPolarHBondContact O-CD2 3.41Å; V382-F386 WeakPolarHBondContact O-CE2 3.24Å; F383-F386 PolarHBondContact O-N 3.33Å; E384-F386 VanDerWaalsContact C-N 3.27Å; E384-F386 PolarHBondContact O-N 3.19Å
387I71.4Confident79.1Confident90 Ų9056.8 Ų56.846%0.46228%0.282SS..THydrogen-bonded Turntrans-109.3-28.2-173.2-55178.4000111.7Q323 E384 D385Q323-I387 WeakPolarHBondContact CG-O 3.38Å; E384-I387 CarbonylContact O-C 3.53Å; E384-I387 WeakPolarHBondContact O-CA 3.48Å; E384-I387 PolarHBondContact O-N 3.12Å; D385-I387 PolarHBondContact O-N 2.88Å
388S81.5Confident79.5Confident21 Ų2154.1 Ų54.115%0.14727%0.273CS..  trans-64.7127.1-174.1-176.40000112.9E384 T390 A392E384-S388 WeakPolarHBondContact O-CB 3.41Å; E384-S388 PolarHBondContact O-N 3.46Å; S388-T390 PolarHBondContact O-N 3.21Å; S388-T390 WeakPolarHBondContact OG-CB 3.01Å; S388-T390 PolarHBondContact OG-N 2.94Å; S388-A392 PolarHBondContact O-N 3.2Å
389P85.7Confident79.9Confident20 Ų2051.9 Ų51.913%0.1326%0.264CS..Hα-helixtrans-61.4-28.3168.2-21.733.3000113.1P319 L322 Q323 L326 L357 A393P319-P389 HydrophobicContact CB-CG 3.73Å; L322-P389 HydrophobicContact CD2-CB 4.2Å; L322-P389 HydrophobicContact CG-CB 4.37Å; Q323-P389 HydrophobicContact CB-CG 4.4Å; L326-P389 WeakPolarHBondContact CD1-O 3.31Å; L357-P389 HydrophobicContact CD2-CB 4.2Å; P389-A393 WeakPolarHBondContact O-CB 3.42Å; P389-A393 PolarHBondContact O-N 3.46Å
390T86.9Confident80.3Confident41 Ų4148.7 Ų48.725%0.25225%0.25SC..Hα-helixtrans-67.2-49.9-178.9-56.60000110.6L357 M358 S388 A392 A393 Q394L357-T390 PolarHBondContact O-OG1 3.41Å; M358-T390 HydrophobicContact SD-CG2 3.9Å; S388-T390 PolarHBondContact O-N 3.21Å; S388-T390 WeakPolarHBondContact OG-CB 3.01Å; S388-T390 PolarHBondContact OG-N 2.94Å; T390-A392 VanDerWaalsContact C-N 3.35Å; T390-A392 PolarHBondContact O-N 3.02Å; T390-A393 CarbonylContact O-C 3.59Å; T390-A393 WeakPolarHBondContact O-CA 3.47Å; T390-A393 VanDerWaalsContact O-CB 3.3Å; T390-A393 WeakPolarHBondContact O-CB 3.45Å; T390-A393 PolarHBondContact O-N 2.86Å; T390-Q394 WeakPolarHBondContact O-CG 3.41Å; T390-Q394 PolarHBondContact O-N 2.92Å
391T86.4Confident81Confident24 Ų2446.5 Ų46.515%0.14724%0.24CC..Hα-helixtrans-60.3-43.6176.7-46.70000110.9D385 A393 Q394 T395D385-T391 HydrophobicContact CB-CG2 4.09Å; D385-T391 WeakPolarHBondContact O-CB 3.37Å; D385-T391 PolarHBondContact OD1-OG1 2.64Å; T391-A393 VanDerWaalsContact C-N 3.28Å; T391-A393 PolarHBondContact O-N 3.44Å; T391-Q394 WeakPolarHBondContact O-CB 3.42Å; T391-Q394 PolarHBondContact O-N 3.09Å; T391-Q394 VanDerWaalsContact O-N 3.11Å; T391-T395 PolarHBondContact O-N 3.07Å; T391-T395 PolarHBondContact O-OG1 3.4Å; T391-T395 VanDerWaalsContact O-OG1 3.06Å
392A86.4Confident81.6Confident3 Ų345 Ų453%0.02523%0.232CC..Hα-helixtrans-62.5-32.217300000113.8Q323 L326 N327 S388 T390 L396Q323-A392 HydrophobicContact CG-CB 3.79Å; L326-A392 HydrophobicContact CB-CB 4.05Å; L326-A392 HydrophobicContact CD1-CB 4.22Å; N327-A392 VanDerWaalsContact OD1-CB 3.26Å; N327-A392 WeakPolarHBondContact OD1-CB 3.33Å; S388-A392 PolarHBondContact O-N 3.2Å; T390-A392 VanDerWaalsContact C-N 3.35Å; T390-A392 PolarHBondContact O-N 3.02Å; A392-L396 VanDerWaalsContact O-CB 3.28Å; A392-L396 WeakPolarHBondContact O-CB 3.44Å; A392-L396 PolarHBondContact O-N 2.98Å
393A90.1Very high82.3Confident0 Ų043.2 Ų43.20%022%0.217CC..Hα-helixtrans-70.3-38.3173.800000111.8L326 V354 L357 P389 T390 T391 L396 L397L326-A393 HydrophobicContact CD1-CB 4.09Å; V354-A393 HydrophobicContact CB-CB 4.39Å; V354-A393 HydrophobicContact CG1-CB 3.91Å; V354-A393 HydrophobicContact CG2-CB 4.36Å; L357-A393 HydrophobicContact CB-CB 4.28Å; L357-A393 HydrophobicContact CD1-CB 4.04Å; P389-A393 WeakPolarHBondContact O-CB 3.42Å; P389-A393 PolarHBondContact O-N 3.46Å; T390-A393 CarbonylContact O-C 3.59Å; T390-A393 WeakPolarHBondContact O-CA 3.47Å; T390-A393 VanDerWaalsContact O-CB 3.3Å; T390-A393 WeakPolarHBondContact O-CB 3.45Å; T390-A393 PolarHBondContact O-N 2.86Å; T391-A393 VanDerWaalsContact C-N 3.28Å; T391-A393 PolarHBondContact O-N 3.44Å; A393-L396 PolarHBondContact O-N 2.98Å; A393-L397 WeakPolarHBondContact O-CB 3.4Å; A393-L397 PolarHBondContact O-N 3.09Å
394Q88.4Confident83.2Confident44 Ų4436.1 Ų36.121%0.20619%0.186CC..Hα-helixtrans-61.3-51.2173-68.1170.3-14.800111.2M358 T390 T391 L396 L397 F398 H434M358-Q394 HydrophobicContact CE-CG 3.43Å; M358-Q394 VanDerWaalsContact CE-CG 3.43Å; M358-Q394 HydrophobicContact SD-CG 3.39Å; M358-Q394 WeakPolarHBondContact SD-CG 3.37Å; T390-Q394 WeakPolarHBondContact O-CG 3.41Å; T390-Q394 PolarHBondContact O-N 2.92Å; T391-Q394 WeakPolarHBondContact O-CB 3.42Å; T391-Q394 PolarHBondContact O-N 3.09Å; T391-Q394 VanDerWaalsContact O-N 3.11Å; Q394-L396 VanDerWaalsContact C-N 3.29Å; Q394-L396 PolarHBondContact O-N 3.34Å; Q394-L397 WeakPolarHBondContact O-CB 3.18Å; Q394-L397 PolarHBondContact O-N 3.36Å; Q394-L397 VanDerWaalsContact O-N 3.09Å; Q394-F398 WeakPolarHBondContact O-CB 3.28Å; Q394-F398 PolarHBondContact O-N 3.16Å; Q394-H434 PolarHBondContact NE2-CE1 3.05Å; Q394-H434 PolarHBondContact NE2-NE2 3.44Å
395T89.4Confident83.7Confident63 Ų6338.1 Ų38.139%0.38719%0.193SC..Hα-helixtrans-60.2-41.3178.6-46.50000111.2N330 T391 F398 T399N330-T395 PolarHBondContact OD1-O 3.47Å; T391-T395 PolarHBondContact O-N 3.07Å; T391-T395 PolarHBondContact O-OG1 3.4Å; T391-T395 VanDerWaalsContact O-OG1 3.06Å; T395-F398 PolarHBondContact O-N 3.26Å; T395-T399 WeakPolarHBondContact O-CB 3.3Å; T395-T399 PolarHBondContact O-N 3.04Å; T395-T399 PolarHBondContact O-OG1 3.1Å
396L90.3Very high84.4Confident1 Ų140.2 Ų40.21%0.00520%0.2CC..Hα-helixtrans-61.3-43.9174.7179.567.3000111.7L326 I329 N330 I333 I349 V354 A392 A393 Q394 S400L326-L396 HydrophobicContact CD2-CD2 3.66Å; I329-L396 HydrophobicContact CB-CD1 4.38Å; I329-L396 HydrophobicContact CG2-CD1 3.89Å; I329-L396 HydrophobicContact CG2-CD2 4.49Å; N330-L396 HydrophobicContact CB-CD1 3.89Å; N330-L396 WeakPolarHBondContact OD1-CA 3.11Å; I333-L396 HydrophobicContact CD1-CD1 3.42Å; I333-L396 VanDerWaalsContact CD1-CD1 3.42Å; I349-L396 HydrophobicContact CG2-CD2 4.26Å; V354-L396 HydrophobicContact CG2-CD2 4.06Å; A392-L396 VanDerWaalsContact O-CB 3.28Å; A392-L396 WeakPolarHBondContact O-CB 3.44Å; A392-L396 PolarHBondContact O-N 2.98Å; A393-L396 PolarHBondContact O-N 2.98Å; Q394-L396 VanDerWaalsContact C-N 3.29Å; Q394-L396 PolarHBondContact O-N 3.34Å; L396-S400 WeakPolarHBondContact O-CB 3.34Å; L396-S400 PolarHBondContact O-N 3.11Å; L396-S400 PolarHBondContact O-OG 3.09Å
397L91.3Very high85.5Confident0 Ų034.1 Ų34.10%018%0.175CC..Hα-helixtrans-63-48.4178.4-178.964.2000111.5I350 V354 A393 Q394 S400 C401 T411 M435 L439I350-L397 HydrophobicContact CD1-CD1 4.4Å; I350-L397 HydrophobicContact CG1-CD1 4.37Å; I350-L397 HydrophobicContact CG2-CD1 4.05Å; V354-L397 HydrophobicContact CG1-CB 4.24Å; A393-L397 WeakPolarHBondContact O-CB 3.4Å; A393-L397 PolarHBondContact O-N 3.09Å; Q394-L397 WeakPolarHBondContact O-CB 3.18Å; Q394-L397 PolarHBondContact O-N 3.36Å; Q394-L397 VanDerWaalsContact O-N 3.09Å; L397-S400 PolarHBondContact O-N 3.28Å; L397-C401 WeakPolarHBondContact O-CB 3.41Å; L397-C401 PolarHBondContact O-N 3.39Å; L397-C401 PolarHBondContact O-SG 2.78Å; L397-T411 HydrophobicContact CD1-CG2 3.99Å; L397-M435 HydrophobicContact CD1-CE 3.55Å; L397-M435 HydrophobicContact CD2-CB 3.82Å; L397-M435 HydrophobicContact CD2-CE 3.67Å; L397-M435 HydrophobicContact CD2-CG 3.79Å; L397-M435 HydrophobicContact CG-CE 4.27Å; L397-L439 HydrophobicContact CD2-CD1 4.22Å; L397-L439 HydrophobicContact CD2-CG 4.22Å; L397-L439 HydrophobicContact CG-CD1 4.24Å; L397-L439 HydrophobicContact CG-CD2 4.14Å; L397-L439 HydrophobicContact CG-CG 4.26Å
398F89.8Confident86.2Confident55 Ų5530.2 Ų30.224%0.24116%0.155CC..Hα-helixtrans-58.3-56178.7-178.1-90.7000110.8Q394 T395 S400 C401 N402 E441 I442Q394-F398 WeakPolarHBondContact O-CB 3.28Å; Q394-F398 PolarHBondContact O-N 3.16Å; T395-F398 PolarHBondContact O-N 3.26Å; F398-S400 VanDerWaalsContact C-N 3.31Å; F398-S400 PolarHBondContact O-N 2.94Å; F398-C401 PolarHBondContact O-N 3.39Å; F398-C401 VanDerWaalsContact O-N 3.07Å; F398-N402 WeakPolarHBondContact O-CB 3.29Å; F398-N402 PolarHBondContact O-N 3.42Å; F398-E441 HydrophobicContact CE2-CB 4.29Å; F398-E441 WeakPolarHBondContact CE2-OE2 3.24Å; F398-E441 WeakPolarHBondContact CZ-OE2 3.45Å; F398-I442 HydrophobicContact CD2-CD1 3.57Å; F398-I442 HydrophobicContact CD2-CG1 4.13Å; F398-I442 HydrophobicContact CE2-CD1 3.66Å; F398-I442 HydrophobicContact CE2-CG1 3.69Å; F398-I442 HydrophobicContact CG-CD1 4.05Å; F398-I442 HydrophobicContact CZ-CD1 4.18Å; F398-I442 HydrophobicContact CZ-CG1 4.11Å
399T87.8Confident86.5Confident22 Ų2235.7 Ų35.714%0.13518%0.178CC..Hα-helixtrans-59.9-41.1-179.7-52.50000111.8N330 I333 T395 C401 K403N330-T399 WeakPolarHBondContact OD1-CB 3.26Å; N330-T399 WeakPolarHBondContact OD1-CG2 3.38Å; N330-T399 PolarHBondContact OD1-OG1 3.4Å; I333-T399 HydrophobicContact CB-CG2 4.39Å; I333-T399 HydrophobicContact CG2-CG2 4.28Å; T395-T399 WeakPolarHBondContact O-CB 3.3Å; T395-T399 PolarHBondContact O-N 3.04Å; T395-T399 PolarHBondContact O-OG1 3.1Å; T399-C401 VanDerWaalsContact C-N 3.33Å; T399-C401 PolarHBondContact O-N 3.08Å; T399-K403 HydrophobicContact CG2-CD 4.12Å; T399-K403 HydrophobicContact CG2-CG 4.25Å; T399-K403 WeakPolarHBondContact O-CB 3.27Å; T399-K403 PolarHBondContact O-N 3.16Å
400S87.5Confident86.6Confident0 Ų039.2 Ų39.20%019%0.191CC..Hα-helixtrans-61.6-40.2176.5-61.40000112.6I333 L396 L397 F398 R404I333-S400 WeakPolarHBondContact CD1-OG 3.47Å; L396-S400 WeakPolarHBondContact O-CB 3.34Å; L396-S400 PolarHBondContact O-N 3.11Å; L396-S400 PolarHBondContact O-OG 3.09Å; L397-S400 PolarHBondContact O-N 3.28Å; F398-S400 VanDerWaalsContact C-N 3.31Å; F398-S400 PolarHBondContact O-N 2.94Å; S400-R404 PolarHBondContact O-N 3.16Å
401C87.4Confident86.8Confident1 Ų137.5 Ų37.51%0.00718%0.181CC..Hα-helixtrans-82.6-29-177-67.10000113L397 F398 T399 L408 L439 I442L397-C401 WeakPolarHBondContact O-CB 3.41Å; L397-C401 PolarHBondContact O-N 3.39Å; L397-C401 PolarHBondContact O-SG 2.78Å; F398-C401 PolarHBondContact O-N 3.39Å; F398-C401 VanDerWaalsContact O-N 3.07Å; T399-C401 VanDerWaalsContact C-N 3.33Å; T399-C401 PolarHBondContact O-N 3.08Å; C401-L408 HydrophobicContact CB-CB 4.24Å; C401-L408 HydrophobicContact CB-CD1 4.07Å; C401-L439 HydrophobicContact CB-CD2 3.56Å; C401-I442 HydrophobicContact CB-CD1 4.14Å
402N85.3Confident86.9Confident31 Ų3137.6 Ų37.617%0.16618%0.18CC..Hα-helixtrans-74.9-56.7176.6-165.125.1000110.6F398 I442F398-N402 WeakPolarHBondContact O-CB 3.29Å; F398-N402 PolarHBondContact O-N 3.42Å; N402-I442 HydrophobicContact CB-CD1 3.77Å; N402-I442 HydrophobicContact CB-CG1 4.23Å
403K81.8Confident87Confident58 Ų5839 Ų3925%0.25219%0.194SC..Hα-helixtrans-79-24.4-169.6-61-158.4176.6-143.50115I333 A334 T399 D908I333-K403 HydrophobicContact CG2-CB 4.41Å; A334-K403 HydrophobicContact CB-CD 4.48Å; T399-K403 HydrophobicContact CG2-CD 4.12Å; T399-K403 HydrophobicContact CG2-CG 4.25Å; T399-K403 WeakPolarHBondContact O-CB 3.27Å; T399-K403 PolarHBondContact O-N 3.16Å; K403-D908 IonicContact NZ-OD2 3.27Å; K403-D908 PolarHBondContact NZ-OD2 3.44Å
404R81.8Confident87Confident5 Ų540.5 Ų40.52%0.01920%0.201CC..BIsolated β-bridgetrans-122.1123.3-168.8-59.6-62.8-172.7-170-1.4113.3I333 A334 W339 S400 V407 E906I333-R404 HydrophobicContact CG2-CG 3.78Å; I333-R404 PolarHBondContact O-NE 3.3Å; I333-R404 PolarHBondContact O-NH2 3.22Å; A334-R404 PolarHBondContact O-NH2 3.09Å; W339-R404 HydrophobicContact CD2-CG 3.93Å; W339-R404 HydrophobicContact CE3-CG 4.03Å; W339-R404 HydrophobicContact CH2-CB 3.75Å; W339-R404 HydrophobicContact CH2-CG 3.69Å; W339-R404 HydrophobicContact CZ2-CB 3.57Å; W339-R404 HydrophobicContact CZ2-CG 3.57Å; W339-R404 HydrophobicContact CZ3-CB 4.45Å; W339-R404 HydrophobicContact CZ3-CG 3.91Å; S400-R404 PolarHBondContact O-N 3.16Å; R404-V407 HydrophobicContact CB-CG2 3.97Å; R404-E906 PolarHBondContact NH1-O 3.06Å
405K78.4Confident87Confident106 Ų10638.4 Ų38.446%0.46119%0.191SC..THydrogen-bonded Turntrans-59.1151.2177.1-64.2-178.9-176.8168.40112.1V407 E901K405-V407 PolarHBondContact O-N 2.98Å; K405-E901 WeakPolarHBondContact CE-O 3.33Å; K405-E901 WeakPolarHBondContact CE-OE2 3.39Å; K405-E901 HydrophobicContact CG-CB 4.36Å; K405-E901 PolarHBondContact NZ-O 3.19Å
406E81.1Confident87Confident120 Ų12042.6 Ų42.656%0.56120%0.201SC*.THydrogen-bonded Turntrans67.1-17.5-177.5-52-177175.700117.2K410E406-K410 WeakPolarHBondContact O-CG 3.12Å; E406-K410 PolarHBondContact O-N 3.18Å; E406-K410 IonicContact OE2-NZ 3.81Å; E406-K410 PolarHBondContact OE2-NZ 3.47Å
407V86.6Confident86.9Confident11 Ų1148.8 Ų48.87%0.06723%0.23CC..Hα-helixtrans-65.8-51.2179.9-178.20000110.1W339 I350 R404 K405 Q409 K410 T411W339-V407 HydrophobicContact CH2-CG2 3.92Å; W339-V407 HydrophobicContact CZ2-CG2 4.33Å; I350-V407 HydrophobicContact CD1-CG1 3.6Å; R404-V407 HydrophobicContact CB-CG2 3.97Å; K405-V407 PolarHBondContact O-N 2.98Å; V407-Q409 VanDerWaalsContact C-N 3.32Å; V407-Q409 PolarHBondContact O-N 3.48Å; V407-K410 PolarHBondContact O-N 3.06Å; V407-K410 VanDerWaalsContact O-N 3.13Å; V407-T411 PolarHBondContact O-N 3.26Å; V407-T411 PolarHBondContact O-OG1 2.82Å; V407-T411 VanDerWaalsContact O-OG1 3.06Å
408L87.6Confident86.8Confident8 Ų849.5 Ų49.54%0.04223%0.234CC..Hα-helixtrans-53-47178.5-18064.7000112.3C401 K410 T411 M412 L439 I442 L443 K446 Y449C401-L408 HydrophobicContact CB-CB 4.24Å; C401-L408 HydrophobicContact CB-CD1 4.07Å; L408-K410 PolarHBondContact O-N 3.42Å; L408-T411 PolarHBondContact O-N 2.95Å; L408-M412 HydrophobicContact CD1-CG 4.08Å; L408-M412 HydrophobicContact CG-CG 4.45Å; L408-M412 WeakPolarHBondContact O-CB 3.5Å; L408-M412 VanDerWaalsContact O-CG 3.31Å; L408-M412 WeakPolarHBondContact O-CG 3.28Å; L408-M412 PolarHBondContact O-N 3.36Å; L408-L439 HydrophobicContact CD1-CD1 4.25Å; L408-I442 HydrophobicContact CD2-CG2 4.02Å; L408-L443 HydrophobicContact CD1-CD2 4.02Å; L408-K446 HydrophobicContact CD2-CD 3.77Å; L408-Y449 HydrophobicContact CD2-CD2 4.36Å; L408-Y449 HydrophobicContact CD2-CE2 3.88Å; L408-Y449 HydrophobicContact CG-CE2 4.38Å
409Q86.4Confident86.6Confident136 Ų13647.6 Ų47.664%0.63623%0.226SC*.Hα-helixtrans-63.3-40.6-178.9-170.9-177.99.800112.2V407 G413V407-Q409 VanDerWaalsContact C-N 3.32Å; V407-Q409 PolarHBondContact O-N 3.48Å; Q409-G413 PolarHBondContact O-N 3.05Å
410K88.7Confident86.5Confident95 Ų9549.6 Ų49.641%0.41324%0.238SC..Hα-helixtrans-69.6-41.7178.2-71.2172.5-175.3166.70111.6E406 V407 L408 G413 F414E406-K410 WeakPolarHBondContact O-CG 3.12Å; E406-K410 PolarHBondContact O-N 3.18Å; E406-K410 IonicContact OE2-NZ 3.81Å; E406-K410 PolarHBondContact OE2-NZ 3.47Å; V407-K410 PolarHBondContact O-N 3.06Å; V407-K410 VanDerWaalsContact O-N 3.13Å; L408-K410 PolarHBondContact O-N 3.42Å; K410-G413 PolarHBondContact O-N 3.31Å; K410-F414 PolarHBondContact O-N 2.92Å
411T90.4Very high86.5Confident5 Ų554.1 Ų54.13%0.03126%0.259CS..Hα-helixtrans-61.5-49.9175.8-59.20000110.9I350 L397 V407 L408 G413 F414 C415 M435 L439I350-T411 HydrophobicContact CG2-CG2 4.29Å; L397-T411 HydrophobicContact CD1-CG2 3.99Å; V407-T411 PolarHBondContact O-N 3.26Å; V407-T411 PolarHBondContact O-OG1 2.82Å; V407-T411 VanDerWaalsContact O-OG1 3.06Å; L408-T411 PolarHBondContact O-N 2.95Å; T411-G413 VanDerWaalsContact C-N 3.31Å; T411-G413 PolarHBondContact O-N 3.1Å; T411-F414 WeakPolarHBondContact O-CB 3.42Å; T411-F414 PolarHBondContact O-N 2.92Å; T411-F414 VanDerWaalsContact O-N 3.09Å; T411-C415 PolarHBondContact O-N 3.49Å; T411-M435 HydrophobicContact CG2-CE 3.58Å; T411-L439 HydrophobicContact CG2-CD1 4.1Å
412M88.2Confident85.6Confident25 Ų2559.7 Ų59.712%0.12330%0.296CS..Hα-helixtrans-62.9-37.6177.4-69.4-54.7-66.700112.3L408 F414 C415 Y416 I436 L443 Y449L408-M412 HydrophobicContact CD1-CG 4.08Å; L408-M412 HydrophobicContact CG-CG 4.45Å; L408-M412 WeakPolarHBondContact O-CB 3.5Å; L408-M412 VanDerWaalsContact O-CG 3.31Å; L408-M412 WeakPolarHBondContact O-CG 3.28Å; L408-M412 PolarHBondContact O-N 3.36Å; M412-F414 VanDerWaalsContact C-N 3.3Å; M412-F414 PolarHBondContact O-N 3.36Å; M412-C415 PolarHBondContact O-N 3.39Å; M412-Y416 VanDerWaalsContact O-CB 3.3Å; M412-Y416 WeakPolarHBondContact O-CB 3.47Å; M412-Y416 PolarHBondContact O-N 3.48Å; M412-I436 HydrophobicContact CE-CD1 4.48Å; M412-I436 HydrophobicContact CE-CG1 4.18Å; M412-I436 HydrophobicContact CE-CG2 4.5Å; M412-I436 HydrophobicContact SD-CG1 4.27Å; M412-L443 HydrophobicContact CE-CD1 4.09Å; M412-L443 HydrophobicContact CE-CD2 4.2Å; M412-L443 HydrophobicContact CG-CD2 4.17Å; M412-L443 HydrophobicContact SD-CD1 4.06Å; M412-L443 HydrophobicContact SD-CD2 4.03Å; M412-Y449 HydrophobicContact CB-CE1 4.3Å; M412-Y449 HydrophobicContact CG-CE1 4.09Å
413G88.9Confident85.1Confident32 Ų3263.8 Ų63.833%0.3332%0.322SS..Hα-helixtrans-60.9-38173.400000113.1Q409 K410 T411 Q417Q409-G413 PolarHBondContact O-N 3.05Å; K410-G413 PolarHBondContact O-N 3.31Å; T411-G413 VanDerWaalsContact C-N 3.31Å; T411-G413 PolarHBondContact O-N 3.1Å; G413-Q417 VanDerWaalsContact O-CG 3.31Å; G413-Q417 WeakPolarHBondContact O-CG 3.48Å; G413-Q417 PolarHBondContact O-N 3.34Å
414F90.4Very high84.8Confident33 Ų3361.6 Ų61.615%0.14531%0.314CS..Hα-helixtrans-68.5-49174.8173.1-105.7000112.1Q351 F355 K410 T411 M412 Y416 Q417 I418Q351-F414 HydrophobicContact CB-CE2 4.36Å; Q351-F414 HydrophobicContact CB-CZ 4.27Å; Q351-F414 HydrophobicContact CG-CD1 4.26Å; Q351-F414 HydrophobicContact CG-CD2 3.93Å; Q351-F414 HydrophobicContact CG-CE1 4.27Å; Q351-F414 HydrophobicContact CG-CE2 3.93Å; Q351-F414 HydrophobicContact CG-CG 4.08Å; Q351-F414 HydrophobicContact CG-CZ 4.09Å; F355-F414 HydrophobicContact CB-CE1 4.09Å; F355-F414 HydrophobicContact CD1-CE1 4.08Å; F355-F414 AromaticContact CD1-CZ 3.96Å; F355-F414 HydrophobicContact CD1-CZ 3.96Å; F355-F414 AromaticContact CD2-CE1 3.85Å; F355-F414 HydrophobicContact CD2-CE1 3.85Å; F355-F414 HydrophobicContact CE1-CE1 4.5Å; F355-F414 HydrophobicContact CE1-CZ 4.27Å; F355-F414 HydrophobicContact CE2-CE1 4.25Å; F355-F414 AromaticContact CG-CE1 3.73Å; F355-F414 HydrophobicContact CG-CE1 3.73Å; F355-F414 HydrophobicContact CG-CZ 4.09Å; K410-F414 PolarHBondContact O-N 2.92Å; T411-F414 WeakPolarHBondContact O-CB 3.42Å; T411-F414 PolarHBondContact O-N 2.92Å; T411-F414 VanDerWaalsContact O-N 3.09Å; M412-F414 VanDerWaalsContact C-N 3.3Å; M412-F414 PolarHBondContact O-N 3.36Å; F414-Y416 VanDerWaalsContact C-N 3.3Å; F414-Y416 PolarHBondContact O-N 2.97Å; F414-Q417 WeakPolarHBondContact O-CB 3.31Å; F414-Q417 PolarHBondContact O-N 3.08Å; F414-I418 HydrophobicContact CD1-CD1 3.98Å; F414-I418 HydrophobicContact CD2-CD1 4.32Å; F414-I418 HydrophobicContact CE1-CD1 3.48Å; F414-I418 VanDerWaalsContact CE1-CD1 3.48Å; F414-I418 HydrophobicContact CE2-CD1 3.86Å; F414-I418 HydrophobicContact CG-CD1 4.4Å; F414-I418 HydrophobicContact CZ-CD1 3.43Å; F414-I418 VanDerWaalsContact CZ-CD1 3.43Å; F414-I418 PolarHBondContact O-N 3.02Å
415C89.2Confident84.9Confident0 Ų065.1 Ų65.10%033%0.333CS..Hα-helixtrans-60.5-40.7177.5-640000111.8T411 M412 Q417 I418 L419 A432 I436T411-C415 PolarHBondContact O-N 3.49Å; M412-C415 PolarHBondContact O-N 3.39Å; C415-Q417 VanDerWaalsContact C-N 3.34Å; C415-Q417 PolarHBondContact O-N 3.22Å; C415-I418 PolarHBondContact O-N 3.2Å; C415-L419 WeakPolarHBondContact O-CG 3.48Å; C415-L419 PolarHBondContact O-N 3.39Å; C415-A432 HydrophobicContact CB-CB 4.39Å; C415-I436 HydrophobicContact CB-CD1 3.92Å; C415-I436 HydrophobicContact CB-CG1 4Å
416Y87.8Confident85.2Confident150 Ų15062.6 Ų62.659%0.58833%0.327SS*.Hα-helixtrans-61.7-39.2177-176.8-101.2000112.9M412 F414 I418 L419 T420M412-Y416 VanDerWaalsContact O-CB 3.3Å; M412-Y416 WeakPolarHBondContact O-CB 3.47Å; M412-Y416 PolarHBondContact O-N 3.48Å; F414-Y416 VanDerWaalsContact C-N 3.3Å; F414-Y416 PolarHBondContact O-N 2.97Å; Y416-I418 VanDerWaalsContact C-N 3.33Å; Y416-I418 PolarHBondContact O-N 2.82Å; Y416-L419 PolarHBondContact O-N 3.49Å; Y416-T420 HydrophobicContact CD1-CG2 4.26Å; Y416-T420 HydrophobicContact CD2-CG2 4.15Å; Y416-T420 HydrophobicContact CE1-CG2 3.84Å; Y416-T420 HydrophobicContact CE2-CG2 3.71Å; Y416-T420 HydrophobicContact CG-CG2 4.41Å; Y416-T420 WeakPolarHBondContact O-CB 3.5Å; Y416-T420 WeakPolarHBondContact O-CG2 3.48Å; Y416-T420 PolarHBondContact O-N 3.07Å; Y416-T420 PolarHBondContact O-OG1 3.09Å
417Q89.1Confident85.5Confident132 Ų13259.9 Ų59.962%0.61731%0.312SS*.Hα-helixtrans-61.8-41.8175.9-74.8172.54.900111.8G413 F414 C415 T420 E421G413-Q417 VanDerWaalsContact O-CG 3.31Å; G413-Q417 WeakPolarHBondContact O-CG 3.48Å; G413-Q417 PolarHBondContact O-N 3.34Å; F414-Q417 WeakPolarHBondContact O-CB 3.31Å; F414-Q417 PolarHBondContact O-N 3.08Å; C415-Q417 VanDerWaalsContact C-N 3.34Å; C415-Q417 PolarHBondContact O-N 3.22Å; Q417-T420 PolarHBondContact O-OG1 3.42Å; Q417-E421 WeakPolarHBondContact O-CB 3.35Å; Q417-E421 PolarHBondContact O-N 3.01Å
418I88.2Confident85.6Confident15 Ų1564.4 Ų64.48%0.07733%0.331CS..Hα-helixtrans-68.8-43.6179.1-65.7165.1000111.3F355 F414 C415 Y416 T420 E421 K428 A432F355-I418 HydrophobicContact CE1-CD1 4.09Å; F355-I418 HydrophobicContact CE2-CD1 3.78Å; F355-I418 HydrophobicContact CZ-CD1 3.52Å; F414-I418 HydrophobicContact CD1-CD1 3.98Å; F414-I418 HydrophobicContact CD2-CD1 4.32Å; F414-I418 HydrophobicContact CE1-CD1 3.48Å; F414-I418 VanDerWaalsContact CE1-CD1 3.48Å; F414-I418 HydrophobicContact CE2-CD1 3.86Å; F414-I418 HydrophobicContact CG-CD1 4.4Å; F414-I418 HydrophobicContact CZ-CD1 3.43Å; F414-I418 VanDerWaalsContact CZ-CD1 3.43Å; F414-I418 PolarHBondContact O-N 3.02Å; C415-I418 PolarHBondContact O-N 3.2Å; Y416-I418 VanDerWaalsContact C-N 3.33Å; Y416-I418 PolarHBondContact O-N 2.82Å; I418-T420 VanDerWaalsContact C-N 3.33Å; I418-T420 PolarHBondContact O-N 3.39Å; I418-E421 PolarHBondContact O-N 2.89Å; I418-K428 HydrophobicContact CG2-CB 4.13Å; I418-A432 HydrophobicContact CB-CB 4.3Å; I418-A432 HydrophobicContact CG2-CB 4.04Å
419L86.1Confident85.6Confident14 Ų1466.5 Ų66.57%0.07334%0.339CS..Hα-helixtrans-67.9-31.9-178.6-69.5178.8000113.2C415 Y416 A432 L433 I436C415-L419 WeakPolarHBondContact O-CG 3.48Å; C415-L419 PolarHBondContact O-N 3.39Å; Y416-L419 PolarHBondContact O-N 3.49Å; L419-A432 HydrophobicContact CD2-CB 4.19Å; L419-A432 HydrophobicContact CG-CB 4.3Å; L419-L433 HydrophobicContact CD1-CD2 4.36Å; L419-L433 HydrophobicContact CD2-CD2 4.15Å; L419-L433 HydrophobicContact CD2-CG 4.09Å; L419-I436 HydrophobicContact CD1-CD1 3.62Å
420T85.4Confident85.8Confident64 Ų6460.1 Ų60.139%0.39331%0.31SS..Hα-helixtrans-84.7-14.917953.20000113.6Y416 Q417 I418 P422Y416-T420 HydrophobicContact CD1-CG2 4.26Å; Y416-T420 HydrophobicContact CD2-CG2 4.15Å; Y416-T420 HydrophobicContact CE1-CG2 3.84Å; Y416-T420 HydrophobicContact CE2-CG2 3.71Å; Y416-T420 HydrophobicContact CG-CG2 4.41Å; Y416-T420 WeakPolarHBondContact O-CB 3.5Å; Y416-T420 WeakPolarHBondContact O-CG2 3.48Å; Y416-T420 PolarHBondContact O-N 3.07Å; Y416-T420 PolarHBondContact O-OG1 3.09Å; Q417-T420 PolarHBondContact O-OG1 3.42Å; I418-T420 VanDerWaalsContact C-N 3.33Å; I418-T420 PolarHBondContact O-N 3.39Å; T420-P422 VanDerWaalsContact O-CD 3.31Å; T420-P422 WeakPolarHBondContact O-CD 3.49Å
421E87.6Confident85.8Confident96 Ų9655.6 Ų55.645%0.44929%0.29SS..  trans-73.7115178.6-171.9173.5-176.200111Q417 I418 T423 S424Q417-E421 WeakPolarHBondContact O-CB 3.35Å; Q417-E421 PolarHBondContact O-N 3.01Å; I418-E421 PolarHBondContact O-N 2.89Å; E421-T423 VanDerWaalsContact C-N 3.26Å; E421-T423 PolarHBondContact O-N 3.32Å; E421-S424 PolarHBondContact O-N 3.21Å
422P69.8Low85.9Confident118 Ų11855.3 Ų55.377%0.76629%0.289SS*.THydrogen-bonded Turntrans-69.4-24.7-17327-33.9000113T420T420-P422 VanDerWaalsContact O-CD 3.31Å; T420-P422 WeakPolarHBondContact O-CD 3.49Å
423T73.1Confident86Confident116 Ų11654.1 Ų54.171%0.71228%0.283SS*.THydrogen-bonded Turntrans-98.37.6-179.647.20000113.7E421E421-T423 VanDerWaalsContact C-N 3.26Å; E421-T423 PolarHBondContact O-N 3.32Å
424S77.1Confident86Confident13 Ų1353.2 Ų53.29%0.09127%0.27CS..  trans-67.2137179.4-178.80000111.2E421E421-S424 PolarHBondContact O-N 3.21Å
425D83.6Confident86.1Confident78 Ų7851.7 Ų51.742%0.41726%0.263SS..  trans-50.1130170.2-172.7-20.7000110.3R427 K428 K429D425-R427 PolarHBondContact O-N 3.08Å; D425-R427 PolarHBondContact OD1-N 3.43Å; D425-K428 HydrophobicContact CB-CB 4.37Å; D425-K428 HydrophobicContact CB-CD 4.17Å; D425-K428 HydrophobicContact CB-CG 4.09Å; D425-K428 WeakPolarHBondContact O-CB 3.43Å; D425-K428 PolarHBondContact O-N 3.25Å; D425-K429 PolarHBondContact O-N 2.92Å
426P85.2Confident86.2Confident53 Ų5351.9 Ų51.934%0.34426%0.264SS..Hα-helixtrans-49.3-38.1174.1-29.436.3000113.8K428 K429 D430 L469 M472P426-K428 VanDerWaalsContact C-N 3.3Å; P426-K428 PolarHBondContact O-N 3.34Å; P426-K429 WeakPolarHBondContact O-CA 3.42Å; P426-K429 WeakPolarHBondContact O-CB 3.5Å; P426-K429 PolarHBondContact O-N 2.86Å; P426-D430 PolarHBondContact O-N 3.12Å; P426-L469 HydrophobicContact CB-CD1 3.79Å; P426-L469 HydrophobicContact CG-CD1 4Å; P426-M472 HydrophobicContact CB-SD 4.31Å
427R87.4Confident86.2Confident64 Ų6444.7 Ų44.724%0.24224%0.236CC..Hα-helixtrans-63.3-35.4178.1-66.5-178.2172.7178.9-1.3113Y360 D362 D425 K429 D430 G431Y360-R427 WeakPolarHBondContact O-CD 3.33Å; D362-R427 IonicContact OD1-CZ 3.17Å; D362-R427 IonicContact OD1-NH1 2.69Å; D362-R427 PolarHBondContact OD1-NH1 2.91Å; D362-R427 IonicContact OD1-NH2 3.62Å; D362-R427 PolarHBondContact OD1-NH2 2.91Å; D362-R427 IonicContact OD2-NH1 3.6Å; D425-R427 PolarHBondContact O-N 3.08Å; D425-R427 PolarHBondContact OD1-N 3.43Å; R427-K429 VanDerWaalsContact C-N 3.35Å; R427-D430 WeakPolarHBondContact O-CB 3.49Å; R427-D430 PolarHBondContact O-N 3.25Å; R427-G431 PolarHBondContact O-N 3.19Å
428K87.8Confident86.2Confident106 Ų10639.3 Ų39.346%0.46121%0.213SC..Hα-helixtrans-71.1-32.7174.6-68.6-178.2-178.3-179.20112F355 I418 D425 P426 A432F355-K428 HydrophobicContact CE1-CG 4.31Å; F355-K428 HydrophobicContact CZ-CB 3.98Å; F355-K428 HydrophobicContact CZ-CG 4.26Å; F355-K428 WeakPolarHBondContact CZ-O 3.5Å; I418-K428 HydrophobicContact CG2-CB 4.13Å; D425-K428 HydrophobicContact CB-CB 4.37Å; D425-K428 HydrophobicContact CB-CD 4.17Å; D425-K428 HydrophobicContact CB-CG 4.09Å; D425-K428 WeakPolarHBondContact O-CB 3.43Å; D425-K428 PolarHBondContact O-N 3.25Å; P426-K428 VanDerWaalsContact C-N 3.3Å; P426-K428 PolarHBondContact O-N 3.34Å; K428-A432 WeakPolarHBondContact O-CB 3.35Å; K428-A432 PolarHBondContact O-N 3.11Å
429K87.9Confident86.2Confident51 Ų5138.6 Ų38.622%0.22221%0.209CC..Hα-helixtrans-68.9-40.4174.1-66.9-175.3179.8-179.60111D425 P426 R427 A432 L433 M472D425-K429 PolarHBondContact O-N 2.92Å; P426-K429 WeakPolarHBondContact O-CA 3.42Å; P426-K429 WeakPolarHBondContact O-CB 3.5Å; P426-K429 PolarHBondContact O-N 2.86Å; R427-K429 VanDerWaalsContact C-N 3.35Å; K429-A432 PolarHBondContact O-N 3.35Å; K429-L433 WeakPolarHBondContact O-CG 3.3Å; K429-L433 PolarHBondContact O-N 2.86Å; K429-M472 HydrophobicContact CB-CE 4.08Å
430D89.6Confident86.3Confident2 Ų238 Ų381%0.01121%0.206CC..Hα-helixtrans-56.1-54.8171171.771.7000111.2Y360 P426 R427 A432 L433 H434 Y471 M472 R475Y360-D430 PolarHBondContact N-OD2 3.38Å; Y360-D430 VanDerWaalsContact N-OD2 3.14Å; P426-D430 PolarHBondContact O-N 3.12Å; R427-D430 WeakPolarHBondContact O-CB 3.49Å; R427-D430 PolarHBondContact O-N 3.25Å; D430-A432 VanDerWaalsContact C-N 3.27Å; D430-A432 PolarHBondContact O-N 3.45Å; D430-L433 WeakPolarHBondContact O-CB 3.21Å; D430-L433 PolarHBondContact O-N 2.81Å; D430-L433 VanDerWaalsContact O-N 3.09Å; D430-H434 WeakPolarHBondContact O-CB 3.27Å; D430-H434 PolarHBondContact O-N 3.43Å; D430-Y471 HydrophobicContact CB-CE2 4.4Å; D430-M472 HydrophobicContact CB-SD 3.84Å; D430-R475 WeakPolarHBondContact OD1-CB 3.4Å; D430-R475 WeakPolarHBondContact OD1-CG 3.42Å; D430-R475 IonicContact OD1-CZ 2.74Å; D430-R475 IonicContact OD1-NE 2.77Å; D430-R475 PolarHBondContact OD1-NE 3.05Å; D430-R475 IonicContact OD1-NH2 2.68Å; D430-R475 IonicContact OD2-NH2 3.96Å
431G89.6Confident86.3Confident0 Ų039.1 Ų39.10%021%0.207CC..Hα-helixtrans-59.8-34.8178.600000113.8M358 R427 H434 M435M358-G431 WeakPolarHBondContact O-CA 3.38Å; R427-G431 PolarHBondContact O-N 3.19Å; G431-H434 PolarHBondContact O-N 2.73Å; G431-M435 WeakPolarHBondContact O-CG 3.42Å; G431-M435 PolarHBondContact O-N 2.73Å
432A91.3Very high86.2Confident0 Ų034.7 Ų34.70%019%0.186CC..Hα-helixtrans-68.3-40.6177.100000111.5F355 C415 I418 L419 K428 K429 D430 I436F355-A432 HydrophobicContact CE2-CB 4.2Å; C415-A432 HydrophobicContact CB-CB 4.39Å; I418-A432 HydrophobicContact CB-CB 4.3Å; I418-A432 HydrophobicContact CG2-CB 4.04Å; L419-A432 HydrophobicContact CD2-CB 4.19Å; L419-A432 HydrophobicContact CG-CB 4.3Å; K428-A432 WeakPolarHBondContact O-CB 3.35Å; K428-A432 PolarHBondContact O-N 3.11Å; K429-A432 PolarHBondContact O-N 3.35Å; D430-A432 VanDerWaalsContact C-N 3.27Å; D430-A432 PolarHBondContact O-N 3.45Å; A432-I436 VanDerWaalsContact O-CG1 3.24Å; A432-I436 WeakPolarHBondContact O-CG1 3.41Å; A432-I436 PolarHBondContact O-N 3.33Å; A432-I436 VanDerWaalsContact O-N 3.13Å
433L90.6Very high86.9Confident0 Ų029 Ų290%015%0.15CC..Hα-helixtrans-68.7-38.1175-75.6176.8000112.2L419 K429 D430 I436 G437 M456 V461 L464 R475 V479L419-L433 HydrophobicContact CD1-CD2 4.36Å; L419-L433 HydrophobicContact CD2-CD2 4.15Å; L419-L433 HydrophobicContact CD2-CG 4.09Å; K429-L433 WeakPolarHBondContact O-CG 3.3Å; K429-L433 PolarHBondContact O-N 2.86Å; D430-L433 WeakPolarHBondContact O-CB 3.21Å; D430-L433 PolarHBondContact O-N 2.81Å; D430-L433 VanDerWaalsContact O-N 3.09Å; L433-I436 PolarHBondContact O-N 2.96Å; L433-G437 PolarHBondContact O-N 3.14Å; L433-M456 HydrophobicContact CD2-SD 4.46Å; L433-V461 HydrophobicContact CD2-CG2 4.08Å; L433-L464 HydrophobicContact CD1-CD1 3.24Å; L433-R475 HydrophobicContact CB-CG 4.03Å; L433-R475 HydrophobicContact CD1-CG 4.43Å; L433-V479 HydrophobicContact CB-CG2 3.91Å; L433-V479 HydrophobicContact CD2-CG2 4.43Å
434H90.6Very high87.4Confident13 Ų1324 Ų246%0.0612%0.118CC..Hα-helixtrans-58.8-49.4174.4-165.9-177.8000110.8M358 Q394 D430 G431 I436 G437 S438 R475 W478M358-H434 HydrophobicContact CE-CB 4.04Å; M358-H434 WeakPolarHBondContact CE-CD2 3.32Å; M358-H434 PolarHBondContact O-ND1 3.31Å; Q394-H434 PolarHBondContact NE2-CE1 3.05Å; Q394-H434 PolarHBondContact NE2-NE2 3.44Å; D430-H434 WeakPolarHBondContact O-CB 3.27Å; D430-H434 PolarHBondContact O-N 3.43Å; G431-H434 PolarHBondContact O-N 2.73Å; H434-I436 VanDerWaalsContact C-N 3.33Å; H434-I436 PolarHBondContact O-N 2.92Å; H434-G437 PolarHBondContact O-N 3.15Å; H434-S438 PolarHBondContact O-N 3.07Å; H434-S438 PolarHBondContact O-OG 2.84Å; H434-S438 VanDerWaalsContact O-OG 3.08Å; H434-R475 PolarHBondContact CD2-NH1 3.06Å; H434-R475 VanDerWaalsContact CD2-NH1 3.25Å; H434-W478 AromaticContact CD2-CH2 3.5Å; H434-W478 VanDerWaalsContact CD2-CH2 3.5Å; H434-W478 WeakPolarHBondContact CD2-CH2 3.42Å; H434-W478 AromaticContact CD2-CZ2 3.94Å; H434-W478 AromaticContact CD2-CZ3 3.85Å
435M91.3Very high87.7Confident0 Ų029.3 Ų29.30%014%0.139CC..Hα-helixtrans-59.7-39.3174.6-72.4-175.874.800113.4I350 F355 M358 L397 T411 G431 L439I350-M435 HydrophobicContact CG2-CE 3.54Å; F355-M435 HydrophobicContact CB-SD 3.91Å; F355-M435 HydrophobicContact CD2-SD 3.56Å; F355-M435 VanDerWaalsContact CD2-SD 3.56Å; F355-M435 HydrophobicContact CG-SD 4.22Å; M358-M435 HydrophobicContact CB-CG 4.37Å; M358-M435 HydrophobicContact CE-CG 4.44Å; M358-M435 HydrophobicContact CG-CG 4.33Å; L397-M435 HydrophobicContact CD1-CE 3.55Å; L397-M435 HydrophobicContact CD2-CB 3.82Å; L397-M435 HydrophobicContact CD2-CE 3.67Å; L397-M435 HydrophobicContact CD2-CG 3.79Å; L397-M435 HydrophobicContact CG-CE 4.27Å; T411-M435 HydrophobicContact CG2-CE 3.58Å; G431-M435 WeakPolarHBondContact O-CG 3.42Å; G431-M435 PolarHBondContact O-N 2.73Å; M435-L439 WeakPolarHBondContact O-CD1 3.37Å; M435-L439 VanDerWaalsContact O-CG 3.24Å; M435-L439 WeakPolarHBondContact O-CG 3.44Å; M435-L439 PolarHBondContact O-N 2.9Å
436I90.6Very high87.6Confident4 Ų428 Ų282%0.02113%0.13CC..Hα-helixtrans-69.7-42.8179.6-67.6169.3000110.8M412 C415 L419 A432 L433 H434 L439 A440 L443 M456 F483M412-I436 HydrophobicContact CE-CD1 4.48Å; M412-I436 HydrophobicContact CE-CG1 4.18Å; M412-I436 HydrophobicContact CE-CG2 4.5Å; M412-I436 HydrophobicContact SD-CG1 4.27Å; C415-I436 HydrophobicContact CB-CD1 3.92Å; C415-I436 HydrophobicContact CB-CG1 4Å; L419-I436 HydrophobicContact CD1-CD1 3.62Å; A432-I436 VanDerWaalsContact O-CG1 3.24Å; A432-I436 WeakPolarHBondContact O-CG1 3.41Å; A432-I436 PolarHBondContact O-N 3.33Å; A432-I436 VanDerWaalsContact O-N 3.13Å; L433-I436 PolarHBondContact O-N 2.96Å; H434-I436 VanDerWaalsContact C-N 3.33Å; H434-I436 PolarHBondContact O-N 2.92Å; I436-L439 CarbonylContact O-C 3.58Å; I436-L439 PolarHBondContact O-N 2.98Å; I436-L439 VanDerWaalsContact O-N 3.12Å; I436-A440 PolarHBondContact O-N 3.22Å; I436-L443 HydrophobicContact CG2-CD1 4.1Å; I436-M456 HydrophobicContact CG2-CE 3.66Å; I436-F483 HydrophobicContact CG2-CE2 3.83Å; I436-F483 HydrophobicContact CG2-CZ 3.66Å
437G88.3Confident87.3Confident0 Ų033.9 Ų33.90%015%0.15CC..Hα-helixtrans-64.6-4117700000112.6L433 H434 L439 A440L433-G437 PolarHBondContact O-N 3.14Å; H434-G437 PolarHBondContact O-N 3.15Å; G437-L439 PolarHBondContact O-N 2.98Å; G437-L439 VanDerWaalsContact O-N 3.07Å; G437-A440 WeakPolarHBondContact O-CB 3.34Å; G437-A440 PolarHBondContact O-N 3.1Å
438S89.4Confident87Confident18 Ų1835.8 Ų35.813%0.12617%0.169CC..THydrogen-bonded Turntrans-63.9-14.6173.4-56.40000113.6H434H434-S438 PolarHBondContact O-N 3.07Å; H434-S438 PolarHBondContact O-OG 2.84Å; H434-S438 VanDerWaalsContact O-OG 3.08Å
439L89Confident86.8Confident0 Ų033 Ų330%016%0.156CC..THydrogen-bonded Turntrans-104.57176.4-67.3174.6000112.4L397 C401 L408 T411 M435 I436 G437 E441 I442 L443L397-L439 HydrophobicContact CD2-CD1 4.22Å; L397-L439 HydrophobicContact CD2-CG 4.22Å; L397-L439 HydrophobicContact CG-CD1 4.24Å; L397-L439 HydrophobicContact CG-CD2 4.14Å; L397-L439 HydrophobicContact CG-CG 4.26Å; C401-L439 HydrophobicContact CB-CD2 3.56Å; L408-L439 HydrophobicContact CD1-CD1 4.25Å; T411-L439 HydrophobicContact CG2-CD1 4.1Å; M435-L439 WeakPolarHBondContact O-CD1 3.37Å; M435-L439 VanDerWaalsContact O-CG 3.24Å; M435-L439 WeakPolarHBondContact O-CG 3.44Å; M435-L439 PolarHBondContact O-N 2.9Å; I436-L439 CarbonylContact O-C 3.58Å; I436-L439 PolarHBondContact O-N 2.98Å; I436-L439 VanDerWaalsContact O-N 3.12Å; G437-L439 PolarHBondContact O-N 2.98Å; G437-L439 VanDerWaalsContact O-N 3.07Å; L439-E441 PolarHBondContact O-N 3.49Å; L439-I442 HydrophobicContact CD2-CD1 3.83Å; L439-I442 PolarHBondContact O-N 3.15Å; L439-L443 HydrophobicContact CB-CD1 4.05Å; L439-L443 HydrophobicContact CB-CG 4.29Å; L439-L443 WeakPolarHBondContact O-CB 3.4Å; L439-L443 WeakPolarHBondContact O-CG 3.32Å; L439-L443 PolarHBondContact O-N 2.97Å
440A86.5Confident86.4Confident1 Ų134.9 Ų34.91%0.00816%0.164CC..Hα-helixtrans-56.1-51.5-172.200000112I436 G437 I442 L443 L444 Y482 F483I436-A440 PolarHBondContact O-N 3.22Å; G437-A440 WeakPolarHBondContact O-CB 3.34Å; G437-A440 PolarHBondContact O-N 3.1Å; A440-I442 VanDerWaalsContact C-N 3.33Å; A440-I442 PolarHBondContact O-N 2.77Å; A440-L443 CarbonylContact O-C 3.51Å; A440-L443 WeakPolarHBondContact O-CA 3.39Å; A440-L443 WeakPolarHBondContact O-CB 3.4Å; A440-L443 PolarHBondContact O-N 3.3Å; A440-L444 HydrophobicContact CB-CD1 4.49Å; A440-L444 WeakPolarHBondContact O-CB 3.14Å; A440-L444 WeakPolarHBondContact O-CG 3.47Å; A440-L444 PolarHBondContact O-N 3.43Å; A440-Y482 WeakPolarHBondContact CB-O 3.5Å; A440-F483 HydrophobicContact CB-CD1 4.15Å; A440-F483 HydrophobicContact CB-CD2 4.24Å; A440-F483 HydrophobicContact CB-CE1 3.81Å; A440-F483 HydrophobicContact CB-CE2 3.91Å; A440-F483 HydrophobicContact CB-CG 4.36Å; A440-F483 HydrophobicContact CB-CZ 3.68Å
441E85.7Confident85.8Confident88 Ų8839.6 Ų39.641%0.41119%0.189SC..Hα-helixtrans-51.9-48.9179.3-165.5-156.7137.900112.4F398 L439 L443 L444 K445F398-E441 HydrophobicContact CE2-CB 4.29Å; F398-E441 WeakPolarHBondContact CE2-OE2 3.24Å; F398-E441 WeakPolarHBondContact CZ-OE2 3.45Å; L439-E441 PolarHBondContact O-N 3.49Å; E441-L443 VanDerWaalsContact C-N 3.34Å; E441-L443 PolarHBondContact O-N 2.78Å; E441-L444 PolarHBondContact O-N 3.15Å; E441-K445 WeakPolarHBondContact O-CG 3.39Å; E441-K445 PolarHBondContact O-N 3.17Å; E441-K445 VanDerWaalsContact O-N 3.1Å; E441-K445 IonicContact OE1-NZ 3.99Å; E441-K445 PolarHBondContact OE1-NZ 2.95Å
442I85.6Confident85.5Confident3 Ų345 Ų452%0.01521%0.214CC..Hα-helixtrans-64.6-39.4178.4-58.2163.9000111.2F398 C401 N402 L408 L439 A440 L444 K446F398-I442 HydrophobicContact CD2-CD1 3.57Å; F398-I442 HydrophobicContact CD2-CG1 4.13Å; F398-I442 HydrophobicContact CE2-CD1 3.66Å; F398-I442 HydrophobicContact CE2-CG1 3.69Å; F398-I442 HydrophobicContact CG-CD1 4.05Å; F398-I442 HydrophobicContact CZ-CD1 4.18Å; F398-I442 HydrophobicContact CZ-CG1 4.11Å; C401-I442 HydrophobicContact CB-CD1 4.14Å; N402-I442 HydrophobicContact CB-CD1 3.77Å; N402-I442 HydrophobicContact CB-CG1 4.23Å; L408-I442 HydrophobicContact CD2-CG2 4.02Å; L439-I442 HydrophobicContact CD2-CD1 3.83Å; L439-I442 PolarHBondContact O-N 3.15Å; A440-I442 VanDerWaalsContact C-N 3.33Å; A440-I442 PolarHBondContact O-N 2.77Å; I442-L444 VanDerWaalsContact C-N 3.33Å; I442-K446 PolarHBondContact O-N 3.04Å
443L85.4Confident85.2Confident0 Ų045.3 Ų45.30%022%0.216CC..Hα-helixtrans-69.9-32.2179.7-69170.4000111.9L408 M412 I436 L439 A440 E441 Y449 K450 M453 F483L408-L443 HydrophobicContact CD1-CD2 4.02Å; M412-L443 HydrophobicContact CE-CD1 4.09Å; M412-L443 HydrophobicContact CE-CD2 4.2Å; M412-L443 HydrophobicContact CG-CD2 4.17Å; M412-L443 HydrophobicContact SD-CD1 4.06Å; M412-L443 HydrophobicContact SD-CD2 4.03Å; I436-L443 HydrophobicContact CG2-CD1 4.1Å; L439-L443 HydrophobicContact CB-CD1 4.05Å; L439-L443 HydrophobicContact CB-CG 4.29Å; L439-L443 WeakPolarHBondContact O-CB 3.4Å; L439-L443 WeakPolarHBondContact O-CG 3.32Å; L439-L443 PolarHBondContact O-N 2.97Å; A440-L443 CarbonylContact O-C 3.51Å; A440-L443 WeakPolarHBondContact O-CA 3.39Å; A440-L443 WeakPolarHBondContact O-CB 3.4Å; A440-L443 PolarHBondContact O-N 3.3Å; E441-L443 VanDerWaalsContact C-N 3.34Å; E441-L443 PolarHBondContact O-N 2.78Å; L443-Y449 HydrophobicContact CD2-CD1 3.83Å; L443-Y449 HydrophobicContact CD2-CD2 4.07Å; L443-Y449 HydrophobicContact CD2-CE1 4.41Å; L443-Y449 HydrophobicContact CD2-CG 3.63Å; L443-K450 PolarHBondContact O-N 3.18Å; L443-M453 HydrophobicContact CB-SD 4.45Å; L443-M453 HydrophobicContact CD1-SD 4.23Å; L443-F483 HydrophobicContact CB-CE1 4.46Å; L443-F483 HydrophobicContact CD1-CE1 4.35Å; L443-F483 HydrophobicContact CD1-CZ 4.01Å
444L83.3Confident84.8Confident10 Ų1046.3 Ų46.35%0.05222%0.221CC..Hα-helixtrans-75.1-36.6179.3-68169.8000112.3A440 E441 I442 K446 K450 F483 E485 V486A440-L444 HydrophobicContact CB-CD1 4.49Å; A440-L444 WeakPolarHBondContact O-CB 3.14Å; A440-L444 WeakPolarHBondContact O-CG 3.47Å; A440-L444 PolarHBondContact O-N 3.43Å; E441-L444 PolarHBondContact O-N 3.15Å; I442-L444 VanDerWaalsContact C-N 3.33Å; L444-K446 VanDerWaalsContact C-N 3.28Å; L444-K446 PolarHBondContact O-N 3.27Å; L444-K450 WeakPolarHBondContact O-CD 3.31Å; L444-F483 HydrophobicContact CD2-CD1 4.22Å; L444-E485 HydrophobicContact CD1-CB 3.99Å; L444-V486 HydrophobicContact CD2-CB 4.39Å; L444-V486 HydrophobicContact CD2-CG2 3.25Å
445K83.4Confident84.6Confident124 Ų12452 Ų5254%0.53925%0.245SC..Hα-helixtrans-62.1-33.9172-71.8174.6173172.90112E441E441-K445 WeakPolarHBondContact O-CG 3.39Å; E441-K445 PolarHBondContact O-N 3.17Å; E441-K445 VanDerWaalsContact O-N 3.1Å; E441-K445 IonicContact OE1-NZ 3.99Å; E441-K445 PolarHBondContact OE1-NZ 2.95Å
446K82.3Confident84.4Confident52 Ų5252.9 Ų52.923%0.22625%0.25CC..SBendtrans-92.1108.5-176.7-65.5-175.9-167.5-175.40113.6L408 I442 L444 V448 Y449 K450 E901L408-K446 HydrophobicContact CD2-CD 3.77Å; I442-K446 PolarHBondContact O-N 3.04Å; L444-K446 VanDerWaalsContact C-N 3.28Å; L444-K446 PolarHBondContact O-N 3.27Å; K446-V448 VanDerWaalsContact C-N 3.28Å; K446-V448 PolarHBondContact O-N 2.93Å; K446-Y449 HydrophobicContact CB-CD2 3.96Å; K446-Y449 HydrophobicContact CD-CD2 4.42Å; K446-Y449 PolarHBondContact O-N 3.26Å; K446-K450 PolarHBondContact O-N 3.49Å; K446-E901 VanDerWaalsContact CE-OE1 3.31Å; K446-E901 WeakPolarHBondContact CE-OE1 3.31Å; K446-E901 IonicContact NZ-OE1 3.97Å; K446-E901 PolarHBondContact NZ-OE1 3.39Å
447K78.8Confident84.2Confident175 Ų17552.7 Ų52.776%0.76125%0.249SC*.Hα-helixtrans-44.9-41.8180-68-178.3179.6173.40115.3Y449 K450 D451K447-Y449 VanDerWaalsContact C-N 3.27Å; K447-Y449 PolarHBondContact O-N 2.66Å; K447-K450 PolarHBondContact O-N 2.87Å; K447-D451 PolarHBondContact O-N 3.13Å
448V81.2Confident84.1Confident105 Ų10556.7 Ų56.764%0.63627%0.267SS*.Hα-helixtrans-60.9-35.8-178.8179.80000112.5K446 Q452K446-V448 VanDerWaalsContact C-N 3.28Å; K446-V448 PolarHBondContact O-N 2.93Å; V448-Q452 PolarHBondContact O-NE2 2.92Å
449Y81.6Confident83.9Confident46 Ų4659 Ų5918%0.1828%0.279CS..Hα-helixtrans-88.1-43.6179.9-68.8-72.9000111L408 M412 L443 K446 K447 D451 Q452 M453L408-Y449 HydrophobicContact CD2-CD2 4.36Å; L408-Y449 HydrophobicContact CD2-CE2 3.88Å; L408-Y449 HydrophobicContact CG-CE2 4.38Å; M412-Y449 HydrophobicContact CB-CE1 4.3Å; M412-Y449 HydrophobicContact CG-CE1 4.09Å; L443-Y449 HydrophobicContact CD2-CD1 3.83Å; L443-Y449 HydrophobicContact CD2-CD2 4.07Å; L443-Y449 HydrophobicContact CD2-CE1 4.41Å; L443-Y449 HydrophobicContact CD2-CG 3.63Å; K446-Y449 HydrophobicContact CB-CD2 3.96Å; K446-Y449 HydrophobicContact CD-CD2 4.42Å; K446-Y449 PolarHBondContact O-N 3.26Å; K447-Y449 VanDerWaalsContact C-N 3.27Å; K447-Y449 PolarHBondContact O-N 2.66Å; Y449-D451 VanDerWaalsContact C-N 3.26Å; Y449-D451 PolarHBondContact O-N 3.25Å; Y449-D451 VanDerWaalsContact O-N 3.16Å; Y449-Q452 WeakPolarHBondContact O-CA 3.47Å; Y449-Q452 PolarHBondContact O-N 3.11Å; Y449-M453 VanDerWaalsContact O-CE 3.26Å; Y449-M453 WeakPolarHBondContact O-CE 3.44Å; Y449-M453 WeakPolarHBondContact O-CG 3.46Å; Y449-M453 PolarHBondContact O-N 2.99Å; Y449-M453 VanDerWaalsContact O-N 3.15Å
450K79.4Confident83.8Confident92 Ų9260.9 Ų60.940%0.429%0.287SS..Hα-helixtrans-45.4-48.1177.7-167.8176.1-168.1156.70112.7L443 L444 K446 K447 Q452 M453L443-K450 PolarHBondContact O-N 3.18Å; L444-K450 WeakPolarHBondContact O-CD 3.31Å; K446-K450 PolarHBondContact O-N 3.49Å; K447-K450 PolarHBondContact O-N 2.87Å; K450-Q452 VanDerWaalsContact C-N 3.26Å; K450-Q452 PolarHBondContact O-N 3.26Å; K450-M453 PolarHBondContact O-N 3.38Å
451D78.9Confident83.8Confident100 Ų10060.8 Ų60.854%0.53529%0.287SS..Hα-helixtrans-66.4-22.6-179.2-79.3-28.1000114.8K447 Y449 K489K447-D451 PolarHBondContact O-N 3.13Å; Y449-D451 VanDerWaalsContact C-N 3.26Å; Y449-D451 PolarHBondContact O-N 3.25Å; Y449-D451 VanDerWaalsContact O-N 3.16Å; D451-K489 IonicContact OD1-NZ 3.2Å; D451-K489 PolarHBondContact OD1-NZ 2.91Å
452Q82.3Confident83.9Confident114 Ų11457.5 Ų57.553%0.53327%0.271SS..Hα-helixtrans-96.9-13.4-178.3-65.117955.200112.8V448 Y449 K450 E454 F455 M456V448-Q452 PolarHBondContact O-NE2 2.92Å; Y449-Q452 WeakPolarHBondContact O-CA 3.47Å; Y449-Q452 PolarHBondContact O-N 3.11Å; K450-Q452 VanDerWaalsContact C-N 3.26Å; K450-Q452 PolarHBondContact O-N 3.26Å; Q452-E454 PolarHBondContact O-N 2.93Å; Q452-F455 PolarHBondContact O-N 3.13Å; Q452-M456 PolarHBondContact O-N 2.87Å
453M84.1Confident84Confident7 Ų761.3 Ų61.33%0.03430%0.295CS..Hα-helixtrans-64.3-42.7-176.4-67.8-53.396.400111.7L443 Y449 K450 F455 M456 L457 F483 V486L443-M453 HydrophobicContact CB-SD 4.45Å; L443-M453 HydrophobicContact CD1-SD 4.23Å; Y449-M453 VanDerWaalsContact O-CE 3.26Å; Y449-M453 WeakPolarHBondContact O-CE 3.44Å; Y449-M453 WeakPolarHBondContact O-CG 3.46Å; Y449-M453 PolarHBondContact O-N 2.99Å; Y449-M453 VanDerWaalsContact O-N 3.15Å; K450-M453 PolarHBondContact O-N 3.38Å; M453-F455 VanDerWaalsContact C-N 3.27Å; M453-F455 PolarHBondContact O-N 2.86Å; M453-M456 WeakPolarHBondContact O-CA 3.38Å; M453-M456 WeakPolarHBondContact O-CB 3.48Å; M453-M456 PolarHBondContact O-N 3.29Å; M453-M456 HydrophobicContact SD-CE 4.35Å; M453-L457 WeakPolarHBondContact O-CG 3.32Å; M453-L457 PolarHBondContact O-N 2.84Å; M453-F483 HydrophobicContact CB-CD1 4.35Å; M453-F483 HydrophobicContact CB-CE1 4.47Å; M453-F483 HydrophobicContact CG-CD1 4.16Å; M453-F483 HydrophobicContact CG-CE1 3.85Å; M453-F483 HydrophobicContact SD-CD1 4.38Å; M453-F483 HydrophobicContact SD-CE1 3.61Å; M453-F483 HydrophobicContact SD-CZ 4.07Å; M453-V486 HydrophobicContact CB-CG2 4.13Å
454E83.7Confident84Confident20 Ų2062.5 Ų62.59%0.09330%0.301CS..Hα-helixtrans-57.1-40.9176.4-177.5175179.500112.1Q452 M456 L457 Q458 F488 K489 S490 N493Q452-E454 PolarHBondContact O-N 2.93Å; E454-M456 VanDerWaalsContact C-N 3.35Å; E454-L457 PolarHBondContact O-N 3.31Å; E454-Q458 WeakPolarHBondContact O-CB 3.32Å; E454-Q458 PolarHBondContact O-N 2.87Å; E454-F488 HydrophobicContact CG-CD1 4.02Å; E454-K489 PolarHBondContact OE1-N 2.98Å; E454-K489 VanDerWaalsContact OE2-CB 3.26Å; E454-K489 WeakPolarHBondContact OE2-CB 3.33Å; E454-K489 WeakPolarHBondContact OE2-CG 3.43Å; E454-K489 PolarHBondContact OE2-N 3.45Å; E454-S490 WeakPolarHBondContact OE1-CB 3.34Å; E454-S490 PolarHBondContact OE1-N 3.11Å; E454-S490 VanDerWaalsContact OE1-N 3.11Å; E454-N493 PolarHBondContact OE1-ND2 2.82Å
455F85.1Confident84.2Confident132 Ų13262.8 Ų62.858%0.57930%0.302SS*.Hα-helixtrans-67.8-35.1176.4-176.4-96.9000112.2Q452 M453 N459Q452-F455 PolarHBondContact O-N 3.13Å; M453-F455 VanDerWaalsContact C-N 3.27Å; M453-F455 PolarHBondContact O-N 2.86Å; F455-N459 VanDerWaalsContact CD1-ND2 3.33Å; F455-N459 WeakPolarHBondContact CD1-ND2 3.3Å; F455-N459 VanDerWaalsContact CD2-ND2 3.27Å; F455-N459 WeakPolarHBondContact CD2-ND2 3.21Å; F455-N459 WeakPolarHBondContact CE1-ND2 3.42Å; F455-N459 WeakPolarHBondContact CE2-ND2 3.21Å; F455-N459 WeakPolarHBondContact CG-ND2 3.36Å; F455-N459 WeakPolarHBondContact CZ-ND2 3.49Å; F455-N459 PolarHBondContact O-N 3.46Å; F455-N459 VanDerWaalsContact O-N 3.12Å; F455-N459 PolarHBondContact O-ND2 3.09Å
456M87.9Confident84.3Confident20 Ų2067.1 Ų67.110%0.09932%0.315CS..Hα-helixtrans-66.9-46.9175.6-171.9-81.9-71.800111.1L433 I436 Q452 M453 E454 Q458 N459 H460 V461 F483L433-M456 HydrophobicContact CD2-SD 4.46Å; I436-M456 HydrophobicContact CG2-CE 3.66Å; Q452-M456 PolarHBondContact O-N 2.87Å; M453-M456 WeakPolarHBondContact O-CA 3.38Å; M453-M456 WeakPolarHBondContact O-CB 3.48Å; M453-M456 PolarHBondContact O-N 3.29Å; M453-M456 HydrophobicContact SD-CE 4.35Å; E454-M456 VanDerWaalsContact C-N 3.35Å; M456-Q458 VanDerWaalsContact C-N 3.32Å; M456-Q458 PolarHBondContact O-N 3.44Å; M456-N459 PolarHBondContact O-N 3.08Å; M456-H460 WeakPolarHBondContact O-CB 3.31Å; M456-H460 PolarHBondContact O-N 3.5Å; M456-V461 HydrophobicContact SD-CG2 3.98Å; M456-F483 HydrophobicContact CE-CE2 4.31Å; M456-F483 HydrophobicContact CE-CZ 4.45Å
457L85.8Confident84.5Confident0 Ų066.1 Ų66.10%031%0.314CS..Iπ-helixtrans-57.4-46.1175.9-65.7-179.8000111.1M453 E454 V461 F462 V479 L480 F483 F488M453-L457 WeakPolarHBondContact O-CG 3.32Å; M453-L457 PolarHBondContact O-N 2.84Å; E454-L457 PolarHBondContact O-N 3.31Å; L457-V461 HydrophobicContact CD2-CB 4.17Å; L457-V461 HydrophobicContact CD2-CG2 3.77Å; L457-V461 CarbonylContact O-C 3.59Å; L457-V461 WeakPolarHBondContact O-CA 3.44Å; L457-V461 WeakPolarHBondContact O-CB 3.49Å; L457-V461 PolarHBondContact O-N 2.87Å; L457-F462 HydrophobicContact CB-CE1 4.49Å; L457-F462 PolarHBondContact O-N 3.3Å; L457-V479 HydrophobicContact CD2-CG1 4.03Å; L457-L480 HydrophobicContact CD1-CD2 4.2Å; L457-L480 HydrophobicContact CD2-CD2 4.07Å; L457-F483 HydrophobicContact CD1-CB 4.14Å; L457-F483 HydrophobicContact CD2-CB 4.33Å; L457-F483 HydrophobicContact CD2-CD2 4.43Å; L457-F488 HydrophobicContact CD1-CE1 4Å; L457-F488 HydrophobicContact CD1-CZ 4.01Å
458Q86.2Confident84.8Confident83 Ų8366.7 Ų66.739%0.38832%0.32SS..Iπ-helixtrans-64.6-46.1-178.9-170.6-179.428.400113.3E454 M456 F462 N493E454-Q458 WeakPolarHBondContact O-CB 3.32Å; E454-Q458 PolarHBondContact O-N 2.87Å; M456-Q458 VanDerWaalsContact C-N 3.32Å; M456-Q458 PolarHBondContact O-N 3.44Å; Q458-F462 HydrophobicContact CB-CD2 4.28Å; Q458-F462 HydrophobicContact CB-CE2 4.39Å; Q458-F462 HydrophobicContact CG-CD2 4.2Å; Q458-F462 HydrophobicContact CG-CE2 4.48Å; Q458-N493 PolarHBondContact NE2-OD1 2.91Å
459N85.8Confident85Confident67 Ų6765 Ų6536%0.35831%0.307SS..Iπ-helixtrans-84.6-31.9-172.5-70.2-62.3000113.9F455 M456 T463F455-N459 VanDerWaalsContact CD1-ND2 3.33Å; F455-N459 WeakPolarHBondContact CD1-ND2 3.3Å; F455-N459 VanDerWaalsContact CD2-ND2 3.27Å; F455-N459 WeakPolarHBondContact CD2-ND2 3.21Å; F455-N459 WeakPolarHBondContact CE1-ND2 3.42Å; F455-N459 WeakPolarHBondContact CE2-ND2 3.21Å; F455-N459 WeakPolarHBondContact CG-ND2 3.36Å; F455-N459 WeakPolarHBondContact CZ-ND2 3.49Å; F455-N459 PolarHBondContact O-N 3.46Å; F455-N459 VanDerWaalsContact O-N 3.12Å; F455-N459 PolarHBondContact O-ND2 3.09Å; M456-N459 PolarHBondContact O-N 3.08Å; N459-T463 VanDerWaalsContact O-CG2 3.3Å; N459-T463 WeakPolarHBondContact O-CG2 3.42Å
460H85.9Confident85.3Confident39 Ų3963 Ų6318%0.18130%0.3CS..Iπ-helixtrans-108.1-49.7-174.7-62.3-71.7000111.3M456 T463 L464M456-H460 WeakPolarHBondContact O-CB 3.31Å; M456-H460 PolarHBondContact O-N 3.5Å; H460-T463 PolarHBondContact O-OG1 3.18Å; H460-L464 WeakPolarHBondContact O-CG 3.35Å
461V87.1Confident85.7Confident0 Ų059.5 Ų59.50%028%0.284CS..Iπ-helixtrans-77.2-49.5-172.1-175.50000112.6L433 M456 L457 T463 L464 F465 A476 V479 L480L433-V461 HydrophobicContact CD2-CG2 4.08Å; M456-V461 HydrophobicContact SD-CG2 3.98Å; L457-V461 HydrophobicContact CD2-CB 4.17Å; L457-V461 HydrophobicContact CD2-CG2 3.77Å; L457-V461 CarbonylContact O-C 3.59Å; L457-V461 WeakPolarHBondContact O-CA 3.44Å; L457-V461 WeakPolarHBondContact O-CB 3.49Å; L457-V461 PolarHBondContact O-N 2.87Å; V461-T463 PolarHBondContact O-N 2.88Å; V461-T463 VanDerWaalsContact O-N 3.11Å; V461-L464 WeakPolarHBondContact O-CB 3.36Å; V461-L464 PolarHBondContact O-N 2.98Å; V461-F465 HydrophobicContact CG1-CE2 4.18Å; V461-A476 HydrophobicContact CG1-CB 3.97Å; V461-V479 HydrophobicContact CG1-CB 4.46Å; V461-V479 HydrophobicContact CG1-CG1 4.48Å; V461-V479 HydrophobicContact CG2-CG1 3.87Å; V461-L480 HydrophobicContact CG1-CD2 4.34Å; V461-L480 HydrophobicContact CG1-CG 4.21Å
462F88.8Confident86.3Confident18 Ų1854.9 Ų54.98%0.07926%0.259CS..Hα-helixtrans-60.8-27.7-178.9-67.8-8.1000113.4L457 Q458 L464 L480 F488 N493 T496 A497 L500L457-F462 HydrophobicContact CB-CE1 4.49Å; L457-F462 PolarHBondContact O-N 3.3Å; Q458-F462 HydrophobicContact CB-CD2 4.28Å; Q458-F462 HydrophobicContact CB-CE2 4.39Å; Q458-F462 HydrophobicContact CG-CD2 4.2Å; Q458-F462 HydrophobicContact CG-CE2 4.48Å; F462-L464 VanDerWaalsContact C-N 3.27Å; F462-L464 PolarHBondContact O-N 2.97Å; F462-L480 HydrophobicContact CE1-CD1 4.48Å; F462-L480 HydrophobicContact CE1-CD2 3.94Å; F462-F488 HydrophobicContact CZ-CE1 4.39Å; F462-N493 HydrophobicContact CE2-CB 4.3Å; F462-T496 HydrophobicContact CD2-CG2 4.02Å; F462-T496 HydrophobicContact CE2-CG2 4.23Å; F462-A497 HydrophobicContact CE1-CB 3.79Å; F462-A497 HydrophobicContact CZ-CB 3.82Å; F462-L500 HydrophobicContact CB-CD1 3.96Å; F462-L500 HydrophobicContact CD1-CD1 4.14Å; F462-L500 HydrophobicContact CG-CD1 4.07Å
463T86.4Confident86.8Confident84 Ų8450.7 Ų50.752%0.51524%0.239SC..Hα-helixtrans-70.1-26.5177.270.10000112.7N459 H460 V461 R466N459-T463 VanDerWaalsContact O-CG2 3.3Å; N459-T463 WeakPolarHBondContact O-CG2 3.42Å; H460-T463 PolarHBondContact O-OG1 3.18Å; V461-T463 PolarHBondContact O-N 2.88Å; V461-T463 VanDerWaalsContact O-N 3.11Å; T463-R466 PolarHBondContact O-N 3.07Å
464L86.6Confident87Confident25 Ų2550.6 Ų50.613%0.13124%0.239CC..Hα-helixtrans-78-23.8-176-66.4171.9000113.4L433 H460 V461 F462 R466 S467 M472 A476L433-L464 HydrophobicContact CD1-CD1 3.24Å; H460-L464 WeakPolarHBondContact O-CG 3.35Å; V461-L464 WeakPolarHBondContact O-CB 3.36Å; V461-L464 PolarHBondContact O-N 2.98Å; F462-L464 VanDerWaalsContact C-N 3.27Å; F462-L464 PolarHBondContact O-N 2.97Å; L464-R466 PolarHBondContact O-N 3.35Å; L464-S467 WeakPolarHBondContact O-CB 3.38Å; L464-S467 PolarHBondContact O-N 3.03Å; L464-M472 HydrophobicContact CD1-CE 3.84Å; L464-M472 HydrophobicContact CD2-CE 3.5Å; L464-M472 HydrophobicContact CG-CE 4.26Å; L464-A476 HydrophobicContact CB-CB 3.99Å
465F86.4Confident87.4Confident15 Ų1550.7 Ų50.77%0.06624%0.239CC..THydrogen-bonded Turntrans-58.2-20.5171.6-78.6-91.4000113.2V461 R473 A476 C477 L480 L500V461-F465 HydrophobicContact CG1-CE2 4.18Å; F465-R473 WeakPolarHBondContact O-CD 3.39Å; F465-A476 HydrophobicContact CD2-CB 3.76Å; F465-A476 HydrophobicContact CE2-CB 3.46Å; F465-A476 VanDerWaalsContact CE2-CB 3.46Å; F465-A476 HydrophobicContact CG-CB 4.42Å; F465-A476 HydrophobicContact CZ-CB 3.88Å; F465-C477 VanDerWaalsContact CE1-SG 3.56Å; F465-L480 HydrophobicContact CE2-CD1 3.66Å; F465-L480 HydrophobicContact CE2-CG 4.33Å; F465-L480 HydrophobicContact CZ-CD1 3.47Å; F465-L480 VanDerWaalsContact CZ-CD1 3.47Å; F465-L480 HydrophobicContact CZ-CG 4.32Å; F465-L500 HydrophobicContact CB-CB 4.31Å; F465-L500 HydrophobicContact CB-CD1 4.17Å; F465-L500 HydrophobicContact CB-CD2 3.91Å; F465-L500 HydrophobicContact CB-CG 4.36Å; F465-L500 HydrophobicContact CD1-CB 3.76Å; F465-L500 HydrophobicContact CD2-CB 4.29Å; F465-L500 HydrophobicContact CD2-CD1 3.99Å; F465-L500 HydrophobicContact CE1-CB 4.14Å; F465-L500 HydrophobicContact CG-CB 3.85Å; F465-L500 HydrophobicContact CG-CD1 4.07Å; F465-L500 HydrophobicContact CG-CD2 4.39Å; F465-L500 HydrophobicContact CG-CG 4.32Å
466R85.1Confident87.7Confident215 Ų21544.4 Ų44.481%0.81121%0.211SC*.THydrogen-bonded Turntrans-97.76.1176.4-59-176.7-178.3-178.51.4113.4T463 L464T463-R466 PolarHBondContact O-N 3.07Å; L464-R466 PolarHBondContact O-N 3.35Å
467S86.3Confident87.9Confident31 Ų3143.5 Ų43.522%0.21721%0.206CC..  trans-67.1143.7177.4-178.20000110.9L464 L469 R473L464-S467 WeakPolarHBondContact O-CB 3.38Å; L464-S467 PolarHBondContact O-N 3.03Å; S467-L469 PolarHBondContact O-N 3.33Å; S467-L469 PolarHBondContact OG-N 3.13Å; S467-R473 WeakPolarHBondContact O-CD 3.19Å; S467-R473 PolarHBondContact O-NH1 3.41Å
468E85.2Confident88.1Confident188 Ų18844.4 Ų44.488%0.87921%0.21SC*.SBendtrans-69.2-24.7171.9-64.8-177.4172.500111.7R473E468-R473 VanDerWaalsContact C-NH1 3.3Å; E468-R473 PolarHBondContact O-NH1 3.04Å
469L87.1Confident88.3Confident70 Ų7040.4 Ų40.437%0.36619%0.191SC..  trans-82.8120.9-178.6-56.3169.7000111.4P426 S467 Y471 M472 R473P426-L469 HydrophobicContact CB-CD1 3.79Å; P426-L469 HydrophobicContact CG-CD1 4Å; S467-L469 PolarHBondContact O-N 3.33Å; S467-L469 PolarHBondContact OG-N 3.13Å; L469-Y471 HydrophobicContact CB-CD1 4.22Å; L469-Y471 HydrophobicContact CB-CE1 3.86Å; L469-Y471 HydrophobicContact CD1-CE1 4.11Å; L469-Y471 HydrophobicContact CD2-CE1 4.23Å; L469-Y471 HydrophobicContact CG-CE1 4.28Å; L469-M472 HydrophobicContact CB-CB 4.29Å; L469-M472 HydrophobicContact CB-CG 3.98Å; L469-M472 HydrophobicContact CD1-CG 4.18Å; L469-M472 PolarHBondContact O-N 3.17Å; L469-R473 PolarHBondContact O-N 3.29Å
470G86.9Confident88.5Confident3 Ų337.3 Ų37.33%0.03117%0.174CC..Hα-helixtrans-64.4-44.9-178.400000115M472 R473 A474 E510 V513G470-M472 PolarHBondContact O-N 2.66Å; G470-M472 VanDerWaalsContact O-N 3.13Å; G470-R473 WeakPolarHBondContact O-CA 3.46Å; G470-R473 WeakPolarHBondContact O-CB 3.15Å; G470-R473 PolarHBondContact O-N 3.04Å; G470-A474 PolarHBondContact O-N 3.33Å; G470-E510 WeakPolarHBondContact CA-OE1 3.16Å; G470-E510 VanDerWaalsContact CA-OE2 3.31Å; G470-E510 WeakPolarHBondContact CA-OE2 3.37Å; G470-V513 WeakPolarHBondContact O-CG2 3.35Å
471Y88.6Confident88.6Confident19 Ų1937.7 Ų37.78%0.07518%0.176CC..Hα-helixtrans-57.4-31.9177.670.3-95000112.9Y360 D430 L469 R475Y360-Y471 HydrophobicContact CD1-CD1 4.29Å; Y360-Y471 HydrophobicContact CD1-CD2 4.25Å; Y360-Y471 HydrophobicContact CD1-CE1 4.38Å; Y360-Y471 HydrophobicContact CD1-CE2 4.35Å; Y360-Y471 HydrophobicContact CD1-CG 4.22Å; Y360-Y471 HydrophobicContact CD2-CD2 4.27Å; Y360-Y471 HydrophobicContact CD2-CG 4.25Å; Y360-Y471 AromaticContact CE1-CD1 4Å; Y360-Y471 HydrophobicContact CE1-CD1 4Å; Y360-Y471 HydrophobicContact CE1-CE1 4.33Å; Y360-Y471 HydrophobicContact CE1-CG 4.16Å; Y360-Y471 HydrophobicContact CE2-CG 4.21Å; Y360-Y471 HydrophobicContact CG-CD2 4.03Å; Y360-Y471 HydrophobicContact CG-CE2 4.35Å; Y360-Y471 HydrophobicContact CG-CG 4.24Å; D430-Y471 HydrophobicContact CB-CE2 4.4Å; L469-Y471 HydrophobicContact CB-CD1 4.22Å; L469-Y471 HydrophobicContact CB-CE1 3.86Å; L469-Y471 HydrophobicContact CD1-CE1 4.11Å; L469-Y471 HydrophobicContact CD2-CE1 4.23Å; L469-Y471 HydrophobicContact CG-CE1 4.28Å; Y471-R475 WeakPolarHBondContact O-CB 3.31Å; Y471-R475 PolarHBondContact O-N 3.01Å
472M90.1Very high88.5Confident2 Ų242.5 Ų42.51%0.0120%0.195CC..Hα-helixtrans-70.7-35.3174.3-66.9-61.6-60.300112.4P426 K429 D430 L464 L469 G470 A476P426-M472 HydrophobicContact CB-SD 4.31Å; K429-M472 HydrophobicContact CB-CE 4.08Å; D430-M472 HydrophobicContact CB-SD 3.84Å; L464-M472 HydrophobicContact CD1-CE 3.84Å; L464-M472 HydrophobicContact CD2-CE 3.5Å; L464-M472 HydrophobicContact CG-CE 4.26Å; L469-M472 HydrophobicContact CB-CB 4.29Å; L469-M472 HydrophobicContact CB-CG 3.98Å; L469-M472 HydrophobicContact CD1-CG 4.18Å; L469-M472 PolarHBondContact O-N 3.17Å; G470-M472 PolarHBondContact O-N 2.66Å; G470-M472 VanDerWaalsContact O-N 3.13Å; M472-A476 WeakPolarHBondContact O-CB 3.38Å; M472-A476 PolarHBondContact O-N 3.46Å
473R92.8Very high88.3Confident26 Ų2641.7 Ų41.710%0.09819%0.192CC..Hα-helixtrans-68.5-45.2174-62.1-166.8-62.2-81-2.6110.1F465 S467 E468 L469 G470 R475 A476 C477 D508 E510 V513F465-R473 WeakPolarHBondContact O-CD 3.39Å; S467-R473 WeakPolarHBondContact O-CD 3.19Å; S467-R473 PolarHBondContact O-NH1 3.41Å; E468-R473 VanDerWaalsContact C-NH1 3.3Å; E468-R473 PolarHBondContact O-NH1 3.04Å; L469-R473 PolarHBondContact O-N 3.29Å; G470-R473 WeakPolarHBondContact O-CA 3.46Å; G470-R473 WeakPolarHBondContact O-CB 3.15Å; G470-R473 PolarHBondContact O-N 3.04Å; R473-R475 PolarHBondContact O-N 3.44Å; R473-A476 WeakPolarHBondContact O-CB 3.35Å; R473-A476 PolarHBondContact O-N 3.11Å; R473-A476 VanDerWaalsContact O-N 3.11Å; R473-C477 PolarHBondContact O-N 3.27Å; R473-C477 PolarHBondContact O-SG 3.44Å; R473-D508 IonicContact CZ-OD1 2.57Å; R473-D508 IonicContact CZ-OD2 2.75Å; R473-D508 IonicContact NE-OD1 2.82Å; R473-D508 IonicContact NE-OD2 3.67Å; R473-D508 PolarHBondContact NE-OD2 3.3Å; R473-D508 IonicContact NH2-OD1 2.73Å; R473-D508 PolarHBondContact NH2-OD1 3.02Å; R473-D508 VanDerWaalsContact NH2-OD1 3.08Å; R473-D508 IonicContact NH2-OD2 2.7Å; R473-D508 PolarHBondContact NH2-OD2 3.23Å; R473-E510 IonicContact CZ-OE1 3.73Å; R473-E510 IonicContact NH2-OE1 3.76Å; R473-E510 PolarHBondContact NH2-OE1 3.03Å; R473-V513 HydrophobicContact CB-CG1 3.86Å; R473-V513 HydrophobicContact CB-CG2 4.3Å
474A90.2Very high87.8Confident5 Ų537.8 Ų37.84%0.04117%0.168CC..Hα-helixtrans-57.5-46.6173.300000111.9W368 G470 A476 C477 W478 V513 E516W368-A474 HydrophobicContact CH2-CB 3.91Å; G470-A474 PolarHBondContact O-N 3.33Å; A474-A476 VanDerWaalsContact C-N 3.27Å; A474-A476 PolarHBondContact O-N 3.18Å; A474-C477 WeakPolarHBondContact O-CB 3.49Å; A474-C477 PolarHBondContact O-N 2.93Å; A474-W478 WeakPolarHBondContact O-CB 3.49Å; A474-W478 PolarHBondContact O-N 3.31Å; A474-V513 HydrophobicContact CB-CG2 4.09Å; A474-E516 HydrophobicContact CB-CG 4.17Å
475R91.3Very high87.3Confident23 Ų2342.4 Ų42.49%0.08719%0.189CC..Hα-helixtrans-61.9-35175.5-174.761.763.7-170.52.9112.5D430 L433 H434 Y471 R473 W478 V479D430-R475 WeakPolarHBondContact OD1-CB 3.4Å; D430-R475 WeakPolarHBondContact OD1-CG 3.42Å; D430-R475 IonicContact OD1-CZ 2.74Å; D430-R475 IonicContact OD1-NE 2.77Å; D430-R475 PolarHBondContact OD1-NE 3.05Å; D430-R475 IonicContact OD1-NH2 2.68Å; D430-R475 IonicContact OD2-NH2 3.96Å; L433-R475 HydrophobicContact CB-CG 4.03Å; L433-R475 HydrophobicContact CD1-CG 4.43Å; H434-R475 PolarHBondContact CD2-NH1 3.06Å; H434-R475 VanDerWaalsContact CD2-NH1 3.25Å; Y471-R475 WeakPolarHBondContact O-CB 3.31Å; Y471-R475 PolarHBondContact O-N 3.01Å; R473-R475 PolarHBondContact O-N 3.44Å; R475-W478 PolarHBondContact O-N 3.36Å; R475-V479 HydrophobicContact CG-CG2 4.37Å; R475-V479 WeakPolarHBondContact O-CG2 3.06Å; R475-V479 PolarHBondContact O-N 3.11Å
476A91.6Very high86.8Confident0 Ų041.9 Ų41.90%019%0.187CC..Hα-helixtrans-65.9-41.6176.700000111.8V461 L464 F465 M472 R473 A474 L480V461-A476 HydrophobicContact CG1-CB 3.97Å; L464-A476 HydrophobicContact CB-CB 3.99Å; F465-A476 HydrophobicContact CD2-CB 3.76Å; F465-A476 HydrophobicContact CE2-CB 3.46Å; F465-A476 VanDerWaalsContact CE2-CB 3.46Å; F465-A476 HydrophobicContact CG-CB 4.42Å; F465-A476 HydrophobicContact CZ-CB 3.88Å; M472-A476 WeakPolarHBondContact O-CB 3.38Å; M472-A476 PolarHBondContact O-N 3.46Å; R473-A476 WeakPolarHBondContact O-CB 3.35Å; R473-A476 PolarHBondContact O-N 3.11Å; R473-A476 VanDerWaalsContact O-N 3.11Å; A474-A476 VanDerWaalsContact C-N 3.27Å; A474-A476 PolarHBondContact O-N 3.18Å; A476-L480 WeakPolarHBondContact O-CG 3.32Å; A476-L480 PolarHBondContact O-N 3.1Å
477C91.2Very high86.1Confident0 Ų040.4 Ų40.40%019%0.186CC..Hα-helixtrans-59.9-49.1170.7-630000111.2F465 R473 A474 V479 L480 H481 E516 A520F465-C477 VanDerWaalsContact CE1-SG 3.56Å; R473-C477 PolarHBondContact O-N 3.27Å; R473-C477 PolarHBondContact O-SG 3.44Å; A474-C477 WeakPolarHBondContact O-CB 3.49Å; A474-C477 PolarHBondContact O-N 2.93Å; C477-V479 PolarHBondContact O-N 3Å; C477-L480 WeakPolarHBondContact O-CB 3.29Å; C477-L480 PolarHBondContact O-N 3Å; C477-L480 VanDerWaalsContact O-N 3.07Å; C477-H481 PolarHBondContact O-N 2.84Å; C477-E516 HydrophobicContact CB-CB 3.82Å; C477-A520 HydrophobicContact CB-CB 4.23Å; C477-A520 WeakPolarHBondContact O-CB 3.5Å
478W91.4Very high85.7Confident19 Ų1940 Ų407%0.07218%0.18CC..Hα-helixtrans-57.9-45.6178.6-175.587.9000112.2H434 A474 R475 L480 H481 Y482 E516H434-W478 AromaticContact CD2-CH2 3.5Å; H434-W478 VanDerWaalsContact CD2-CH2 3.5Å; H434-W478 WeakPolarHBondContact CD2-CH2 3.42Å; H434-W478 AromaticContact CD2-CZ2 3.94Å; H434-W478 AromaticContact CD2-CZ3 3.85Å; A474-W478 WeakPolarHBondContact O-CB 3.49Å; A474-W478 PolarHBondContact O-N 3.31Å; R475-W478 PolarHBondContact O-N 3.36Å; W478-L480 VanDerWaalsContact C-N 3.32Å; W478-L480 PolarHBondContact O-N 3Å; W478-H481 WeakPolarHBondContact O-CB 3.42Å; W478-H481 PolarHBondContact O-N 2.87Å; W478-Y482 AromaticContact CD1-CE2 3.99Å; W478-Y482 AromaticContact CD2-CD2 3.91Å; W478-Y482 HydrophobicContact CD2-CD2 3.91Å; W478-Y482 AromaticContact CD2-CE2 3.88Å; W478-Y482 HydrophobicContact CD2-CE2 3.88Å; W478-Y482 AromaticContact CE2-CD2 3.64Å; W478-Y482 AromaticContact CE2-CE2 3.17Å; W478-Y482 HydrophobicContact CE3-CD2 4.23Å; W478-Y482 HydrophobicContact CG-CD2 4.47Å; W478-Y482 HydrophobicContact CG-CE2 4.35Å; W478-Y482 HydrophobicContact CH2-CD2 4.02Å; W478-Y482 HydrophobicContact CH2-CE2 4.02Å; W478-Y482 AromaticContact CZ2-CD2 3.7Å; W478-Y482 HydrophobicContact CZ2-CD2 3.7Å; W478-Y482 AromaticContact CZ2-CE2 3.25Å; W478-Y482 HydrophobicContact CZ2-CE2 3.25Å; W478-Y482 AromaticContact CZ2-CZ 3.74Å; W478-Y482 HydrophobicContact CZ3-CD2 4.3Å; W478-Y482 AromaticContact NE1-CE2 3.32Å; W478-Y482 VanDerWaalsContact NE1-CE2 3.32Å; W478-Y482 WeakPolarHBondContact O-CD2 3.34Å; W478-Y482 PolarHBondContact O-N 2.84Å; W478-E516 WeakPolarHBondContact CB-OE2 3.47Å
479V90.4Very high85.3Confident0 Ų037.8 Ų37.80%017%0.168CC..Hα-helixtrans-63.5-39.9175.7174.20000111.1L433 L457 V461 R475 C477 H481 Y482 F483L433-V479 HydrophobicContact CB-CG2 3.91Å; L433-V479 HydrophobicContact CD2-CG2 4.43Å; L457-V479 HydrophobicContact CD2-CG1 4.03Å; V461-V479 HydrophobicContact CG1-CB 4.46Å; V461-V479 HydrophobicContact CG1-CG1 4.48Å; V461-V479 HydrophobicContact CG2-CG1 3.87Å; R475-V479 HydrophobicContact CG-CG2 4.37Å; R475-V479 WeakPolarHBondContact O-CG2 3.06Å; R475-V479 PolarHBondContact O-N 3.11Å; C477-V479 PolarHBondContact O-N 3Å; V479-H481 VanDerWaalsContact C-N 3.32Å; V479-H481 PolarHBondContact O-N 2.87Å; V479-Y482 PolarHBondContact O-N 3.08Å; V479-F483 HydrophobicContact CG1-CD2 3.74Å; V479-F483 HydrophobicContact CG1-CE2 4.03Å; V479-F483 WeakPolarHBondContact O-CD2 3.5Å; V479-F483 PolarHBondContact O-N 2.9Å
480L88.9Confident85Confident1 Ų136.4 Ų36.41%0.00516%0.164CC..Hα-helixtrans-60.7-43.9176.2-74.9-177.4000111.7L457 V461 F462 F465 A476 C477 W478 Y482 F483 C484 A497L457-L480 HydrophobicContact CD1-CD2 4.2Å; L457-L480 HydrophobicContact CD2-CD2 4.07Å; V461-L480 HydrophobicContact CG1-CD2 4.34Å; V461-L480 HydrophobicContact CG1-CG 4.21Å; F462-L480 HydrophobicContact CE1-CD1 4.48Å; F462-L480 HydrophobicContact CE1-CD2 3.94Å; F465-L480 HydrophobicContact CE2-CD1 3.66Å; F465-L480 HydrophobicContact CE2-CG 4.33Å; F465-L480 HydrophobicContact CZ-CD1 3.47Å; F465-L480 VanDerWaalsContact CZ-CD1 3.47Å; F465-L480 HydrophobicContact CZ-CG 4.32Å; A476-L480 WeakPolarHBondContact O-CG 3.32Å; A476-L480 PolarHBondContact O-N 3.1Å; C477-L480 WeakPolarHBondContact O-CB 3.29Å; C477-L480 PolarHBondContact O-N 3Å; C477-L480 VanDerWaalsContact O-N 3.07Å; W478-L480 VanDerWaalsContact C-N 3.32Å; W478-L480 PolarHBondContact O-N 3Å; L480-Y482 VanDerWaalsContact C-N 3.34Å; L480-Y482 PolarHBondContact O-N 2.83Å; L480-F483 CarbonylContact O-C 3.48Å; L480-F483 PolarHBondContact O-N 2.75Å; L480-F483 VanDerWaalsContact O-N 3.09Å; L480-C484 PolarHBondContact O-N 3.47Å; L480-C484 VanDerWaalsContact O-N 3.08Å; L480-C484 PolarHBondContact O-SG 2.66Å; L480-A497 HydrophobicContact CD1-CB 4.33Å
481H88.5Confident84.8Confident48 Ų4839.5 Ų39.522%0.22218%0.18CC..Hα-helixtrans-49.9-51175.3168.497.2000112.3C477 W478 V479 F483 C484 I519 A520 V523C477-H481 PolarHBondContact O-N 2.84Å; W478-H481 WeakPolarHBondContact O-CB 3.42Å; W478-H481 PolarHBondContact O-N 2.87Å; V479-H481 VanDerWaalsContact C-N 3.32Å; V479-H481 PolarHBondContact O-N 2.87Å; H481-F483 VanDerWaalsContact C-N 3.3Å; H481-F483 PolarHBondContact O-N 3.28Å; H481-C484 VanDerWaalsContact CA-SG 3.54Å; H481-C484 WeakPolarHBondContact O-CB 3.49Å; H481-C484 PolarHBondContact O-N 3.22Å; H481-C484 PolarHBondContact O-SG 3.14Å; H481-I519 WeakPolarHBondContact ND1-CG2 3.34Å; H481-A520 HydrophobicContact CB-CB 4.01Å; H481-V523 WeakPolarHBondContact ND1-CG2 3.24Å
482Y85.3Confident84.7Confident100 Ų10045.1 Ų45.139%0.39221%0.207SC..Hα-helixtrans-71.4-19.8-178.7-80.2-88.1000114.4A440 W478 V479 L480A440-Y482 WeakPolarHBondContact CB-O 3.5Å; W478-Y482 AromaticContact CD1-CE2 3.99Å; W478-Y482 AromaticContact CD2-CD2 3.91Å; W478-Y482 HydrophobicContact CD2-CD2 3.91Å; W478-Y482 AromaticContact CD2-CE2 3.88Å; W478-Y482 HydrophobicContact CD2-CE2 3.88Å; W478-Y482 AromaticContact CE2-CD2 3.64Å; W478-Y482 AromaticContact CE2-CE2 3.17Å; W478-Y482 HydrophobicContact CE3-CD2 4.23Å; W478-Y482 HydrophobicContact CG-CD2 4.47Å; W478-Y482 HydrophobicContact CG-CE2 4.35Å; W478-Y482 HydrophobicContact CH2-CD2 4.02Å; W478-Y482 HydrophobicContact CH2-CE2 4.02Å; W478-Y482 AromaticContact CZ2-CD2 3.7Å; W478-Y482 HydrophobicContact CZ2-CD2 3.7Å; W478-Y482 AromaticContact CZ2-CE2 3.25Å; W478-Y482 HydrophobicContact CZ2-CE2 3.25Å; W478-Y482 AromaticContact CZ2-CZ 3.74Å; W478-Y482 HydrophobicContact CZ3-CD2 4.3Å; W478-Y482 AromaticContact NE1-CE2 3.32Å; W478-Y482 VanDerWaalsContact NE1-CE2 3.32Å; W478-Y482 WeakPolarHBondContact O-CD2 3.34Å; W478-Y482 PolarHBondContact O-N 2.84Å; V479-Y482 PolarHBondContact O-N 3.08Å; L480-Y482 VanDerWaalsContact C-N 3.34Å; L480-Y482 PolarHBondContact O-N 2.83Å
483F84.4Confident84.5Confident1 Ų145.7 Ų45.70%0.00421%0.21CC..THydrogen-bonded Turntrans-106.214.9179.1-74.5-79.5000113.1I436 A440 L443 L444 M453 M456 L457 V479 L480 H481 E485 V486I436-F483 HydrophobicContact CG2-CE2 3.83Å; I436-F483 HydrophobicContact CG2-CZ 3.66Å; A440-F483 HydrophobicContact CB-CD1 4.15Å; A440-F483 HydrophobicContact CB-CD2 4.24Å; A440-F483 HydrophobicContact CB-CE1 3.81Å; A440-F483 HydrophobicContact CB-CE2 3.91Å; A440-F483 HydrophobicContact CB-CG 4.36Å; A440-F483 HydrophobicContact CB-CZ 3.68Å; L443-F483 HydrophobicContact CB-CE1 4.46Å; L443-F483 HydrophobicContact CD1-CE1 4.35Å; L443-F483 HydrophobicContact CD1-CZ 4.01Å; L444-F483 HydrophobicContact CD2-CD1 4.22Å; M453-F483 HydrophobicContact CB-CD1 4.35Å; M453-F483 HydrophobicContact CB-CE1 4.47Å; M453-F483 HydrophobicContact CG-CD1 4.16Å; M453-F483 HydrophobicContact CG-CE1 3.85Å; M453-F483 HydrophobicContact SD-CD1 4.38Å; M453-F483 HydrophobicContact SD-CE1 3.61Å; M453-F483 HydrophobicContact SD-CZ 4.07Å; M456-F483 HydrophobicContact CE-CE2 4.31Å; M456-F483 HydrophobicContact CE-CZ 4.45Å; L457-F483 HydrophobicContact CD1-CB 4.14Å; L457-F483 HydrophobicContact CD2-CB 4.33Å; L457-F483 HydrophobicContact CD2-CD2 4.43Å; V479-F483 HydrophobicContact CG1-CD2 3.74Å; V479-F483 HydrophobicContact CG1-CE2 4.03Å; V479-F483 WeakPolarHBondContact O-CD2 3.5Å; V479-F483 PolarHBondContact O-N 2.9Å; L480-F483 CarbonylContact O-C 3.48Å; L480-F483 PolarHBondContact O-N 2.75Å; L480-F483 VanDerWaalsContact O-N 3.09Å; H481-F483 VanDerWaalsContact C-N 3.3Å; H481-F483 PolarHBondContact O-N 3.28Å; F483-E485 VanDerWaalsContact C-N 3.26Å; F483-E485 PolarHBondContact O-N 3.25Å; F483-V486 HydrophobicContact CB-CG2 4.08Å; F483-V486 HydrophobicContact CD1-CG2 3.96Å; F483-V486 VanDerWaalsContact O-CB 3.29Å; F483-V486 WeakPolarHBondContact O-CB 3.32Å; F483-V486 VanDerWaalsContact O-CG2 3.25Å; F483-V486 WeakPolarHBondContact O-CG2 3.21Å; F483-V486 PolarHBondContact O-N 3.19Å
484C76.1Confident84.1Confident2 Ų244.7 Ų44.71%0.01421%0.207CC..THydrogen-bonded Turntrans-61-30.9179.2-72.20000113.8L480 H481 V486 V523 L524 Q528L480-C484 PolarHBondContact O-N 3.47Å; L480-C484 VanDerWaalsContact O-N 3.08Å; L480-C484 PolarHBondContact O-SG 2.66Å; H481-C484 VanDerWaalsContact CA-SG 3.54Å; H481-C484 WeakPolarHBondContact O-CB 3.49Å; H481-C484 PolarHBondContact O-N 3.22Å; H481-C484 PolarHBondContact O-SG 3.14Å; C484-V486 PolarHBondContact O-N 3.41Å; C484-V523 HydrophobicContact CB-CB 4.39Å; C484-V523 HydrophobicContact CB-CG1 3.56Å; C484-L524 HydrophobicContact CB-CD2 4.17Å; C484-L524 WeakPolarHBondContact SG-CD2 3.44Å; C484-L524 WeakPolarHBondContact SG-CG 3.27Å; C484-Q528 PolarHBondContact O-NE2 3.09Å
485E75.3Confident83.9Confident123 Ų12348.4 Ų48.458%0.57522%0.223SC*.THydrogen-bonded Turntrans-67.8-13.2175.5-68.1176.6-167.800113.4L444 F483 K487L444-E485 HydrophobicContact CD1-CB 3.99Å; F483-E485 VanDerWaalsContact C-N 3.26Å; F483-E485 PolarHBondContact O-N 3.25Å; E485-K487 PolarHBondContact O-N 3.05Å
486V75.7Confident83.8Confident4 Ų449.8 Ų49.82%0.02423%0.234CC..SBendtrans-65.8106.9172-176.70000108.5L444 M453 F483 C484 F488 Q528L444-V486 HydrophobicContact CD2-CB 4.39Å; L444-V486 HydrophobicContact CD2-CG2 3.25Å; M453-V486 HydrophobicContact CB-CG2 4.13Å; F483-V486 HydrophobicContact CB-CG2 4.08Å; F483-V486 HydrophobicContact CD1-CG2 3.96Å; F483-V486 VanDerWaalsContact O-CB 3.29Å; F483-V486 WeakPolarHBondContact O-CB 3.32Å; F483-V486 VanDerWaalsContact O-CG2 3.25Å; F483-V486 WeakPolarHBondContact O-CG2 3.21Å; F483-V486 PolarHBondContact O-N 3.19Å; C484-V486 PolarHBondContact O-N 3.41Å; V486-F488 WeakPolarHBondContact O-CD2 3.14Å; V486-F488 PolarHBondContact O-N 3.44Å; V486-Q528 PolarHBondContact O-NE2 3.41Å
487K71.3Confident83.6Confident184 Ų18449.8 Ų49.880%0.823%0.234SC*.  trans-59.7103.2166.4-65-172178.2-177.80109E485 K489E485-K487 PolarHBondContact O-N 3.05Å; K487-K489 PolarHBondContact O-N 2.98Å
488F76.5Confident83.5Confident21 Ų2150 Ų509%0.09224%0.235CC..  trans-61.7124.4177.5-72.2-87.7000109.5E454 L457 F462 V486 S490 N493 L494 A497 L524 Q528E454-F488 HydrophobicContact CG-CD1 4.02Å; L457-F488 HydrophobicContact CD1-CE1 4Å; L457-F488 HydrophobicContact CD1-CZ 4.01Å; F462-F488 HydrophobicContact CZ-CE1 4.39Å; V486-F488 WeakPolarHBondContact O-CD2 3.14Å; V486-F488 PolarHBondContact O-N 3.44Å; F488-S490 VanDerWaalsContact C-N 3.28Å; F488-N493 HydrophobicContact CD1-CB 3.94Å; F488-N493 HydrophobicContact CE1-CB 4.48Å; F488-L494 HydrophobicContact CB-CB 4.26Å; F488-L494 HydrophobicContact CD2-CB 4.21Å; F488-L494 HydrophobicContact CD2-CD1 4.01Å; F488-L494 HydrophobicContact CE2-CD1 4.18Å; F488-L494 HydrophobicContact CG-CB 4.26Å; F488-A497 HydrophobicContact CZ-CB 4.47Å; F488-L524 HydrophobicContact CE2-CD2 4.36Å; F488-Q528 VanDerWaalsContact CD2-NE2 3.26Å; F488-Q528 VanDerWaalsContact CE2-NE2 3.31Å
489K77.9Confident83.5Confident142 Ų14253 Ų5362%0.61725%0.25SS*.SBendtrans-72.8-27.3176.8-62.2176.1-179.8173.40111.4D451 E454 K487D451-K489 IonicContact OD1-NZ 3.2Å; D451-K489 PolarHBondContact OD1-NZ 2.91Å; E454-K489 PolarHBondContact OE1-N 2.98Å; E454-K489 VanDerWaalsContact OE2-CB 3.26Å; E454-K489 WeakPolarHBondContact OE2-CB 3.33Å; E454-K489 WeakPolarHBondContact OE2-CG 3.43Å; E454-K489 PolarHBondContact OE2-N 3.45Å; K487-K489 PolarHBondContact O-N 2.98Å
490S81.1Confident83.5Confident42 Ų4254 Ų5429%0.29426%0.255SS..  trans-107.6115.2177.8-178.40000111.4E454 F488 Q492 N493 L494E454-S490 WeakPolarHBondContact OE1-CB 3.34Å; E454-S490 PolarHBondContact OE1-N 3.11Å; E454-S490 VanDerWaalsContact OE1-N 3.11Å; F488-S490 VanDerWaalsContact C-N 3.28Å; S490-Q492 PolarHBondContact O-N 2.97Å; S490-Q492 VanDerWaalsContact O-N 3.1Å; S490-Q492 PolarHBondContact OG-N 3.27Å; S490-N493 WeakPolarHBondContact O-CB 3.42Å; S490-N493 PolarHBondContact O-N 3.48Å; S490-L494 PolarHBondContact O-N 2.94Å
491D82.8Confident83.6Confident67 Ų6753.9 Ų53.936%0.35826%0.255SS..Hα-helixtrans-55.1-29.5173.1-67.2-4.6000112.1N493 L494 Q495 K530D491-N493 VanDerWaalsContact C-N 3.34Å; D491-N493 PolarHBondContact O-N 3.26Å; D491-L494 PolarHBondContact O-N 3.47Å; D491-Q495 WeakPolarHBondContact O-CG 3.23Å; D491-Q495 PolarHBondContact O-N 3.25Å; D491-K530 IonicContact OD1-NZ 3.42Å; D491-K530 PolarHBondContact OD1-NZ 3.45Å; D491-K530 IonicContact OD2-NZ 2.83Å; D491-K530 PolarHBondContact OD2-NZ 3.04Å
492Q85.2Confident83.8Confident138 Ų13852.7 Ų52.765%0.64525%0.249SC*.Hα-helixtrans-68.5-32.9176.9-170.5174.419.300112.6S490 T496S490-Q492 PolarHBondContact O-N 2.97Å; S490-Q492 VanDerWaalsContact O-N 3.1Å; S490-Q492 PolarHBondContact OG-N 3.27Å; Q492-T496 WeakPolarHBondContact O-CB 3.48Å; Q492-T496 PolarHBondContact O-N 3.47Å; Q492-T496 PolarHBondContact O-OG1 2.97Å
493N85.9Confident84Confident14 Ų1450.9 Ų50.98%0.07525%0.245CC..Hα-helixtrans-71.9-39.7177.4-72.4-19.5000110.5E454 Q458 F462 F488 S490 D491 T496 A497E454-N493 PolarHBondContact OE1-ND2 2.82Å; Q458-N493 PolarHBondContact NE2-OD1 2.91Å; F462-N493 HydrophobicContact CE2-CB 4.3Å; F488-N493 HydrophobicContact CD1-CB 3.94Å; F488-N493 HydrophobicContact CE1-CB 4.48Å; S490-N493 WeakPolarHBondContact O-CB 3.42Å; S490-N493 PolarHBondContact O-N 3.48Å; D491-N493 VanDerWaalsContact C-N 3.34Å; D491-N493 PolarHBondContact O-N 3.26Å; N493-T496 PolarHBondContact O-N 2.82Å; N493-A497 PolarHBondContact O-N 3.1Å
494L85.4Confident84.4Confident5 Ų551.2 Ų51.23%0.02625%0.248CC..Hα-helixtrans-60.9-50.4172.617755.4000111.7F488 S490 D491 T496 A497 L498 Q528 K530 A531F488-L494 HydrophobicContact CB-CB 4.26Å; F488-L494 HydrophobicContact CD2-CB 4.21Å; F488-L494 HydrophobicContact CD2-CD1 4.01Å; F488-L494 HydrophobicContact CE2-CD1 4.18Å; F488-L494 HydrophobicContact CG-CB 4.26Å; S490-L494 PolarHBondContact O-N 2.94Å; D491-L494 PolarHBondContact O-N 3.47Å; L494-T496 PolarHBondContact O-N 3.39Å; L494-A497 PolarHBondContact O-N 2.9Å; L494-A497 VanDerWaalsContact O-N 3.13Å; L494-L498 HydrophobicContact CD1-CD1 3.86Å; L494-L498 HydrophobicContact CD1-CG 3.98Å; L494-L498 HydrophobicContact CG-CD1 3.91Å; L494-L498 HydrophobicContact CG-CG 4.47Å; L494-L498 WeakPolarHBondContact O-CG 3.35Å; L494-L498 PolarHBondContact O-N 2.85Å; L494-Q528 VanDerWaalsContact CD2-OE1 3.25Å; L494-K530 HydrophobicContact CD2-CB 4.1Å; L494-A531 HydrophobicContact CD1-CB 4.49Å
495Q86.8Confident85.1Confident82 Ų8251.2 Ų51.238%0.38325%0.247SC..Hα-helixtrans-56.4-40.4175.5-74.1176.512.100112D491 E499 Y534D491-Q495 WeakPolarHBondContact O-CG 3.23Å; D491-Q495 PolarHBondContact O-N 3.25Å; Q495-E499 WeakPolarHBondContact O-CB 3.49Å; Q495-E499 PolarHBondContact O-N 2.93Å; Q495-Y534 HydrophobicContact CG-CD1 4.04Å; Q495-Y534 HydrophobicContact CG-CD2 3.81Å; Q495-Y534 HydrophobicContact CG-CE1 3.89Å; Q495-Y534 HydrophobicContact CG-CE2 3.6Å; Q495-Y534 HydrophobicContact CG-CG 4.03Å; Q495-Y534 PolarHBondContact NE2-OH 3.4Å
496T88.8Confident85.8Confident53 Ų5347.6 Ų47.633%0.32523%0.232SC..Hα-helixtrans-66.4-43.9177.8-56.80000111.1F462 Q492 N493 L494 E499 L500F462-T496 HydrophobicContact CD2-CG2 4.02Å; F462-T496 HydrophobicContact CE2-CG2 4.23Å; Q492-T496 WeakPolarHBondContact O-CB 3.48Å; Q492-T496 PolarHBondContact O-N 3.47Å; Q492-T496 PolarHBondContact O-OG1 2.97Å; N493-T496 PolarHBondContact O-N 2.82Å; L494-T496 PolarHBondContact O-N 3.39Å; T496-E499 PolarHBondContact O-N 3.45Å; T496-L500 HydrophobicContact CG2-CD1 3.87Å; T496-L500 HydrophobicContact CG2-CG 4.28Å; T496-L500 WeakPolarHBondContact O-CB 3.28Å; T496-L500 WeakPolarHBondContact O-CG 3.41Å; T496-L500 PolarHBondContact O-N 3Å
497A87.8Confident86.5Confident0 Ų052.4 Ų52.40%026%0.257CS..Hα-helixtrans-59.7-50.2176.700000111.3F462 L480 F488 N493 L494 E499 L500 T501F462-A497 HydrophobicContact CE1-CB 3.79Å; F462-A497 HydrophobicContact CZ-CB 3.82Å; L480-A497 HydrophobicContact CD1-CB 4.33Å; F488-A497 HydrophobicContact CZ-CB 4.47Å; N493-A497 PolarHBondContact O-N 3.1Å; L494-A497 PolarHBondContact O-N 2.9Å; L494-A497 VanDerWaalsContact O-N 3.13Å; A497-E499 PolarHBondContact O-N 3.47Å; A497-L500 PolarHBondContact O-N 3.09Å; A497-T501 PolarHBondContact O-N 3.07Å; A497-T501 PolarHBondContact O-OG1 2.86Å; A497-T501 VanDerWaalsContact O-OG1 3.04Å
498L88.4Confident87.4Confident3 Ų344.5 Ų44.52%0.01622%0.224CC..Hα-helixtrans-60.3-46178.7-69.2169.5000112L494 L500 R502 L521 L524 A531 Y534 I535L494-L498 HydrophobicContact CD1-CD1 3.86Å; L494-L498 HydrophobicContact CD1-CG 3.98Å; L494-L498 HydrophobicContact CG-CD1 3.91Å; L494-L498 HydrophobicContact CG-CG 4.47Å; L494-L498 WeakPolarHBondContact O-CG 3.35Å; L494-L498 PolarHBondContact O-N 2.85Å; L498-L500 PolarHBondContact O-N 3.44Å; L498-R502 WeakPolarHBondContact O-CB 3.34Å; L498-R502 PolarHBondContact O-N 3.41Å; L498-L521 HydrophobicContact CD2-CD1 4Å; L498-L524 HydrophobicContact CD2-CB 4.05Å; L498-L524 HydrophobicContact CD2-CD1 4.21Å; L498-A531 HydrophobicContact CD1-CB 3.64Å; L498-A531 HydrophobicContact CD2-CB 3.99Å; L498-A531 HydrophobicContact CG-CB 4.4Å; L498-Y534 HydrophobicContact CD1-CD2 4.09Å; L498-I535 HydrophobicContact CB-CD1 4.18Å; L498-I535 HydrophobicContact CD1-CG1 4.49Å; L498-I535 HydrophobicContact CD2-CD1 4.45Å; L498-I535 HydrophobicContact CD2-CG1 4.17Å
499E90.4Very high87.9Confident82 Ų8251.1 Ų51.138%0.38326%0.26SS..Hα-helixtrans-61.3-43.9177.7-176.57418000111.2Q495 T496 A497 R502 L503Q495-E499 WeakPolarHBondContact O-CB 3.49Å; Q495-E499 PolarHBondContact O-N 2.93Å; T496-E499 PolarHBondContact O-N 3.45Å; A497-E499 PolarHBondContact O-N 3.47Å; E499-R502 IonicContact OE1-NH2 3.76Å; E499-R502 PolarHBondContact OE1-NH2 3.13Å; E499-R502 IonicContact OE2-CZ 2.87Å; E499-R502 IonicContact OE2-NE 3.28Å; E499-R502 PolarHBondContact OE2-NE 3.37Å; E499-R502 IonicContact OE2-NH2 2.85Å; E499-R502 PolarHBondContact OE2-NH2 3.23Å; E499-L503 HydrophobicContact CG-CD1 4.09Å; E499-L503 WeakPolarHBondContact O-CB 3.34Å; E499-L503 WeakPolarHBondContact O-CG 3.31Å; E499-L503 PolarHBondContact O-N 2.91Å
500L90.9Very high88.5Confident21 Ų2146.9 Ų46.911%0.1124%0.242CC..Hα-helixtrans-65.8-48.3179.7-71.4174.3000111.9F462 F465 T496 A497 L498 L503 C504F462-L500 HydrophobicContact CB-CD1 3.96Å; F462-L500 HydrophobicContact CD1-CD1 4.14Å; F462-L500 HydrophobicContact CG-CD1 4.07Å; F465-L500 HydrophobicContact CB-CB 4.31Å; F465-L500 HydrophobicContact CB-CD1 4.17Å; F465-L500 HydrophobicContact CB-CD2 3.91Å; F465-L500 HydrophobicContact CB-CG 4.36Å; F465-L500 HydrophobicContact CD1-CB 3.76Å; F465-L500 HydrophobicContact CD2-CB 4.29Å; F465-L500 HydrophobicContact CD2-CD1 3.99Å; F465-L500 HydrophobicContact CE1-CB 4.14Å; F465-L500 HydrophobicContact CG-CB 3.85Å; F465-L500 HydrophobicContact CG-CD1 4.07Å; F465-L500 HydrophobicContact CG-CD2 4.39Å; F465-L500 HydrophobicContact CG-CG 4.32Å; T496-L500 HydrophobicContact CG2-CD1 3.87Å; T496-L500 HydrophobicContact CG2-CG 4.28Å; T496-L500 WeakPolarHBondContact O-CB 3.28Å; T496-L500 WeakPolarHBondContact O-CG 3.41Å; T496-L500 PolarHBondContact O-N 3Å; A497-L500 PolarHBondContact O-N 3.09Å; L498-L500 PolarHBondContact O-N 3.44Å; L500-L503 PolarHBondContact O-N 2.81Å; L500-C504 PolarHBondContact O-N 2.88Å
501T90.7Very high88.9Confident0 Ų045.6 Ų45.60%023%0.232CC..Hα-helixtrans-63.8-43.7178.5-52.70000111.1A497 L503 C504 L505 A517 A520 L521A497-T501 PolarHBondContact O-N 3.07Å; A497-T501 PolarHBondContact O-OG1 2.86Å; A497-T501 VanDerWaalsContact O-OG1 3.04Å; T501-L503 VanDerWaalsContact C-N 3.35Å; T501-L503 PolarHBondContact O-N 3.42Å; T501-C504 PolarHBondContact O-N 3.04Å; T501-L505 PolarHBondContact O-N 3.07Å; T501-A517 HydrophobicContact CG2-CB 4.06Å; T501-A517 WeakPolarHBondContact CG2-O 3.42Å; T501-A520 HydrophobicContact CG2-CB 4.02Å; T501-L521 HydrophobicContact CG2-CB 3.87Å
502R92.9Very high89.3Confident23 Ų2342.7 Ų42.79%0.08722%0.217CC..Hα-helixtrans-59.2-43175.1-177.3-171.570.877.4-2.6112.2L498 E499 L505 I506 V542L498-R502 WeakPolarHBondContact O-CB 3.34Å; L498-R502 PolarHBondContact O-N 3.41Å; E499-R502 IonicContact OE1-NH2 3.76Å; E499-R502 PolarHBondContact OE1-NH2 3.13Å; E499-R502 IonicContact OE2-CZ 2.87Å; E499-R502 IonicContact OE2-NE 3.28Å; E499-R502 PolarHBondContact OE2-NE 3.37Å; E499-R502 IonicContact OE2-NH2 2.85Å; E499-R502 PolarHBondContact OE2-NH2 3.23Å; R502-L505 PolarHBondContact O-N 3.39Å; R502-I506 HydrophobicContact CG-CD1 3.81Å; R502-I506 WeakPolarHBondContact O-CG1 3.47Å; R502-I506 PolarHBondContact O-N 3.06Å; R502-V542 HydrophobicContact CG-CG2 4.17Å
503L91Very high89.6Confident61 Ų6136.1 Ų36.132%0.31919%0.186SC..Hα-helixtrans-66-38.5178.1-74.2171.4000111.9E499 L500 T501 N507E499-L503 HydrophobicContact CG-CD1 4.09Å; E499-L503 WeakPolarHBondContact O-CB 3.34Å; E499-L503 WeakPolarHBondContact O-CG 3.31Å; E499-L503 PolarHBondContact O-N 2.91Å; L500-L503 PolarHBondContact O-N 2.81Å; T501-L503 VanDerWaalsContact C-N 3.35Å; T501-L503 PolarHBondContact O-N 3.42Å; L503-N507 VanDerWaalsContact CD2-ND2 3.31Å; L503-N507 WeakPolarHBondContact CD2-ND2 3.38Å; L503-N507 WeakPolarHBondContact O-CA 3.49Å; L503-N507 WeakPolarHBondContact O-CB 3.33Å; L503-N507 PolarHBondContact O-N 3.2Å
504C91.3Very high90Very high9 Ų937 Ų376%0.06119%0.189CC..Hα-helixtrans-63.7-42.8173.4-80.60000111.9L500 T501 I506 D508 V513 A517L500-C504 PolarHBondContact O-N 2.88Å; T501-C504 PolarHBondContact O-N 3.04Å; C504-I506 PolarHBondContact O-N 2.95Å; C504-D508 WeakPolarHBondContact O-CB 3.5Å; C504-D508 PolarHBondContact O-N 2.96Å; C504-V513 HydrophobicContact CB-CG1 4.14Å; C504-A517 HydrophobicContact CB-CB 3.89Å
505L91.2Very high90.2Very high1 Ų136.7 Ų36.71%0.00519%0.188CC..Hα-helixtrans-61.5-44.9178-178.961.6000112.5T501 R502 K514 A517 A518 L521 V542 A545 L546 I549T501-L505 PolarHBondContact O-N 3.07Å; R502-L505 PolarHBondContact O-N 3.39Å; L505-K514 WeakPolarHBondContact CD1-O 3.41Å; L505-A517 HydrophobicContact CB-CB 4.04Å; L505-A518 HydrophobicContact CD1-CB 3.82Å; L505-L521 HydrophobicContact CD2-CD2 3.81Å; L505-V542 HydrophobicContact CD2-CG1 3.83Å; L505-V542 HydrophobicContact CD2-CG2 4.46Å; L505-A545 HydrophobicContact CG-CB 4.31Å; L505-L546 HydrophobicContact CD1-CD2 4.09Å; L505-L546 HydrophobicContact CD2-CD2 4.15Å; L505-L546 HydrophobicContact CD2-CG 4.36Å; L505-I549 HydrophobicContact CD1-CD1 3.42Å; L505-I549 VanDerWaalsContact CD1-CD1 3.42Å
506I90.7Very high90.5Very high47 Ų4733.2 Ų33.224%0.24117%0.171CC..Hα-helixtrans-86.7-43.4-172-59.9172.8000112.4R502 C504 P541 V542R502-I506 HydrophobicContact CG-CD1 3.81Å; R502-I506 WeakPolarHBondContact O-CG1 3.47Å; R502-I506 PolarHBondContact O-N 3.06Å; C504-I506 PolarHBondContact O-N 2.95Å; I506-P541 HydrophobicContact CD1-CB 4Å; I506-V542 HydrophobicContact CD1-CG2 4.26Å
507N89.3Confident90.6Very high105 Ų10530.7 Ų30.756%0.56116%0.156SC*.Hα-helixtrans-110.3-9.5-164.9-62.7-35.7000114.7L503L503-N507 VanDerWaalsContact CD2-ND2 3.31Å; L503-N507 WeakPolarHBondContact CD2-ND2 3.38Å; L503-N507 WeakPolarHBondContact O-CA 3.49Å; L503-N507 WeakPolarHBondContact O-CB 3.33Å; L503-N507 PolarHBondContact O-N 3.2Å
508D90.3Very high90.9Very high18 Ų1830.8 Ų30.810%0.09616%0.156CC..  trans-67.2153.6178.4-150.9-60.7000110.6R473 C504 E510 V513 K514R473-D508 IonicContact CZ-OD1 2.57Å; R473-D508 IonicContact CZ-OD2 2.75Å; R473-D508 IonicContact NE-OD1 2.82Å; R473-D508 IonicContact NE-OD2 3.67Å; R473-D508 PolarHBondContact NE-OD2 3.3Å; R473-D508 IonicContact NH2-OD1 2.73Å; R473-D508 PolarHBondContact NH2-OD1 3.02Å; R473-D508 VanDerWaalsContact NH2-OD1 3.08Å; R473-D508 IonicContact NH2-OD2 2.7Å; R473-D508 PolarHBondContact NH2-OD2 3.23Å; C504-D508 WeakPolarHBondContact O-CB 3.5Å; C504-D508 PolarHBondContact O-N 2.96Å; D508-E510 PolarHBondContact OD1-N 3.25Å; D508-V513 HydrophobicContact CB-CG1 4.34Å; D508-V513 WeakPolarHBondContact OD2-CG1 3.37Å; D508-K514 HydrophobicContact CB-CG 4.39Å; D508-K514 WeakPolarHBondContact O-CE 3.26Å; D508-K514 PolarHBondContact O-NZ 3.08Å
509N87.6Confident91Very high161 Ų16131.7 Ų31.786%0.86116%0.161SC*.SBendtrans-95-20.5177.4-63.9-46000111.5
510E89.8Confident91Very high52 Ų5227.8 Ų27.824%0.24314%0.143CC..  trans-94.3120.6-173.6-62.8-178.8-126.600110.4W368 G470 R473 D508 V513 K514W368-E510 VanDerWaalsContact CE2-OE2 3.25Å; W368-E510 HydrophobicContact CZ2-CB 4.43Å; W368-E510 WeakPolarHBondContact CZ2-OE2 3.45Å; W368-E510 PolarHBondContact NE1-OE2 3.01Å; G470-E510 WeakPolarHBondContact CA-OE1 3.16Å; G470-E510 VanDerWaalsContact CA-OE2 3.31Å; G470-E510 WeakPolarHBondContact CA-OE2 3.37Å; R473-E510 IonicContact CZ-OE1 3.73Å; R473-E510 IonicContact NH2-OE1 3.76Å; R473-E510 PolarHBondContact NH2-OE1 3.03Å; D508-E510 PolarHBondContact OD1-N 3.25Å; E510-V513 HydrophobicContact CB-CB 4.49Å; E510-V513 HydrophobicContact CB-CG2 3.93Å; E510-V513 PolarHBondContact O-N 2.91Å; E510-K514 PolarHBondContact O-N 2.91Å
511M89.6Confident91Very high16 Ų1626.9 Ų26.98%0.07914%0.138CC..Hα-helixtrans-59.2-44.5-175.4-167.25973.200113.7Y373 I376 V513 K514 V515 I549 E552 T553Y373-M511 HydrophobicContact CE1-CE 4.25Å; Y373-M511 HydrophobicContact CE1-CG 4.09Å; I376-M511 HydrophobicContact CD1-CB 4.11Å; I376-M511 HydrophobicContact CD1-CG 3.69Å; M511-V513 PolarHBondContact O-N 3.28Å; M511-V513 VanDerWaalsContact O-N 3.17Å; M511-K514 WeakPolarHBondContact O-CB 3.47Å; M511-K514 PolarHBondContact O-N 3.42Å; M511-K514 HydrophobicContact SD-CB 4.43Å; M511-K514 HydrophobicContact SD-CD 4.2Å; M511-V515 PolarHBondContact O-N 3.09Å; M511-V515 VanDerWaalsContact O-N 3.1Å; M511-I549 HydrophobicContact SD-CB 4.45Å; M511-I549 HydrophobicContact SD-CG1 4.15Å; M511-I549 HydrophobicContact SD-CG2 3.87Å; M511-E552 HydrophobicContact CE-CB 4.12Å; M511-E552 WeakPolarHBondContact CE-OE2 3.11Å; M511-T553 HydrophobicContact CG-CG2 3.5Å; M511-T553 HydrophobicContact SD-CG2 3.87Å
512P90.8Very high91Very high5 Ų527.6 Ų27.63%0.03214%0.141CC..Hα-helixtrans-64.4-27.1-178-1829.5000112.7W368 P372 Y375 I376 E516W368-P512 HydrophobicContact CD2-CG 4.31Å; W368-P512 HydrophobicContact CE3-CB 4.21Å; W368-P512 HydrophobicContact CE3-CG 4.09Å; W368-P512 HydrophobicContact CH2-CB 3.46Å; W368-P512 VanDerWaalsContact CH2-CB 3.46Å; W368-P512 HydrophobicContact CH2-CG 3.88Å; W368-P512 HydrophobicContact CZ2-CB 4.08Å; W368-P512 HydrophobicContact CZ2-CG 4.05Å; W368-P512 HydrophobicContact CZ3-CB 3.52Å; W368-P512 HydrophobicContact CZ3-CG 3.88Å; P372-P512 HydrophobicContact CB-CG 4.01Å; Y375-P512 HydrophobicContact CD1-CB 4.04Å; Y375-P512 HydrophobicContact CD1-CG 4.09Å; Y375-P512 HydrophobicContact CE1-CB 4.25Å; I376-P512 HydrophobicContact CD1-CB 4.28Å; I376-P512 HydrophobicContact CD1-CG 4.07Å; I376-P512 HydrophobicContact CG1-CB 3.95Å; I376-P512 HydrophobicContact CG1-CG 4Å; P512-E516 WeakPolarHBondContact O-CG 3.38Å; P512-E516 PolarHBondContact O-N 3.35Å
513V92.4Very high90.8Very high0 Ų027.6 Ų27.60%014%0.144CC..Hα-helixtrans-69-38.8173.8-176.10000111.1W368 G470 R473 A474 C504 D508 E510 M511 A517W368-V513 HydrophobicContact CH2-CG2 4.22Å; W368-V513 HydrophobicContact CZ2-CG2 4.09Å; G470-V513 WeakPolarHBondContact O-CG2 3.35Å; R473-V513 HydrophobicContact CB-CG1 3.86Å; R473-V513 HydrophobicContact CB-CG2 4.3Å; A474-V513 HydrophobicContact CB-CG2 4.09Å; C504-V513 HydrophobicContact CB-CG1 4.14Å; D508-V513 HydrophobicContact CB-CG1 4.34Å; D508-V513 WeakPolarHBondContact OD2-CG1 3.37Å; E510-V513 HydrophobicContact CB-CB 4.49Å; E510-V513 HydrophobicContact CB-CG2 3.93Å; E510-V513 PolarHBondContact O-N 2.91Å; M511-V513 PolarHBondContact O-N 3.28Å; M511-V513 VanDerWaalsContact O-N 3.17Å; V513-A517 VanDerWaalsContact O-CB 3.23Å; V513-A517 WeakPolarHBondContact O-CB 3.34Å; V513-A517 PolarHBondContact O-N 3.1Å
514K93Very high90.6Very high32 Ų3224.8 Ų24.814%0.13913%0.129CC..Hα-helixtrans-66.1-42.8178-65.6-174.6-179.4178.50112.2L505 D508 E510 M511 A517 A518 I549L505-K514 WeakPolarHBondContact CD1-O 3.41Å; D508-K514 HydrophobicContact CB-CG 4.39Å; D508-K514 WeakPolarHBondContact O-CE 3.26Å; D508-K514 PolarHBondContact O-NZ 3.08Å; E510-K514 PolarHBondContact O-N 2.91Å; M511-K514 WeakPolarHBondContact O-CB 3.47Å; M511-K514 PolarHBondContact O-N 3.42Å; M511-K514 HydrophobicContact SD-CB 4.43Å; M511-K514 HydrophobicContact SD-CD 4.2Å; K514-A517 PolarHBondContact O-N 2.93Å; K514-A518 PolarHBondContact O-N 3.4Å; K514-I549 HydrophobicContact CB-CD1 3.73Å; K514-I549 HydrophobicContact CB-CG1 4.24Å; K514-I549 HydrophobicContact CD-CD1 4.24Å; K514-I549 HydrophobicContact CD-CG1 4.23Å
515V91.6Very high90.4Very high0 Ų024.3 Ų24.30%013%0.126CC..Hα-helixtrans-59.9-51.4177178.20000110.3I376 F380 M511 A517 A518 I519 I549 T553 L558I376-V515 HydrophobicContact CD1-CG2 3.87Å; I376-V515 HydrophobicContact CG1-CG2 4.43Å; I376-V515 HydrophobicContact CG2-CG1 4.42Å; I376-V515 HydrophobicContact CG2-CG2 4.37Å; F380-V515 HydrophobicContact CE2-CG1 3.7Å; F380-V515 HydrophobicContact CZ-CG1 3.85Å; M511-V515 PolarHBondContact O-N 3.09Å; M511-V515 VanDerWaalsContact O-N 3.1Å; V515-A517 VanDerWaalsContact C-N 3.29Å; V515-A517 PolarHBondContact O-N 3.22Å; V515-A518 WeakPolarHBondContact O-CB 3.45Å; V515-A518 PolarHBondContact O-N 2.93Å; V515-A518 VanDerWaalsContact O-N 3.1Å; V515-I519 HydrophobicContact CG1-CD1 4.34Å; V515-I519 WeakPolarHBondContact O-CG1 3.34Å; V515-I519 PolarHBondContact O-N 3.11Å; V515-I549 HydrophobicContact CG2-CG2 3.82Å; V515-T553 HydrophobicContact CG2-CG2 4.04Å; V515-L558 HydrophobicContact CG1-CD1 4.36Å; V515-L558 HydrophobicContact CG1-CD2 4.12Å; V515-L558 HydrophobicContact CG1-CG 4.37Å; V515-L558 HydrophobicContact CG2-CD1 4.2Å
516E91.1Very high90.2Very high9 Ų926.3 Ų26.34%0.04214%0.14CC..Hα-helixtrans-61.7-36.9177.2-70.3-66.716100112.9K379 A474 C477 W478 P512 A520K379-E516 WeakPolarHBondContact CE-OE1 3.03Å; K379-E516 IonicContact NZ-OE1 3.76Å; K379-E516 PolarHBondContact NZ-OE1 3.24Å; A474-E516 HydrophobicContact CB-CG 4.17Å; C477-E516 HydrophobicContact CB-CB 3.82Å; W478-E516 WeakPolarHBondContact CB-OE2 3.47Å; P512-E516 WeakPolarHBondContact O-CG 3.38Å; P512-E516 PolarHBondContact O-N 3.35Å; E516-A520 VanDerWaalsContact O-CB 3.27Å; E516-A520 WeakPolarHBondContact O-CB 3.48Å; E516-A520 PolarHBondContact O-N 2.9Å
517A92.9Very high89.8Confident0 Ų028 Ų280%015%0.149CC..Hα-helixtrans-66.8-36.2175.800000112.2T501 C504 L505 V513 K514 V515 L521T501-A517 HydrophobicContact CG2-CB 4.06Å; T501-A517 WeakPolarHBondContact CG2-O 3.42Å; C504-A517 HydrophobicContact CB-CB 3.89Å; L505-A517 HydrophobicContact CB-CB 4.04Å; V513-A517 VanDerWaalsContact O-CB 3.23Å; V513-A517 WeakPolarHBondContact O-CB 3.34Å; V513-A517 PolarHBondContact O-N 3.1Å; K514-A517 PolarHBondContact O-N 2.93Å; V515-A517 VanDerWaalsContact C-N 3.29Å; V515-A517 PolarHBondContact O-N 3.22Å; A517-L521 WeakPolarHBondContact O-CB 3.12Å; A517-L521 PolarHBondContact O-N 3Å
518A92.3Very high89.5Confident1 Ų123.9 Ų23.91%0.00813%0.127CC..Hα-helixtrans-61.1-51.8176.700000111.2L505 K514 V515 L521 Q522 L546 L558 V561L505-A518 HydrophobicContact CD1-CB 3.82Å; K514-A518 PolarHBondContact O-N 3.4Å; V515-A518 WeakPolarHBondContact O-CB 3.45Å; V515-A518 PolarHBondContact O-N 2.93Å; V515-A518 VanDerWaalsContact O-N 3.1Å; A518-L521 PolarHBondContact O-N 2.96Å; A518-Q522 PolarHBondContact O-N 3.21Å; A518-L546 HydrophobicContact CB-CD2 3.32Å; A518-L558 HydrophobicContact CB-CD2 3.65Å; A518-V561 HydrophobicContact CB-CG1 4.39Å
519I90.6Very high89Confident22 Ų2230.9 Ų30.911%0.11316%0.159CC..Hα-helixtrans-64.6-44.4-179.3-54.9172000110.2F380 H481 V515 L521 Q522 V523 L558 V561F380-I519 HydrophobicContact CD1-CD1 4.49Å; F380-I519 HydrophobicContact CE1-CD1 3.36Å; F380-I519 HydrophobicContact CZ-CD1 3.51Å; H481-I519 WeakPolarHBondContact ND1-CG2 3.34Å; V515-I519 HydrophobicContact CG1-CD1 4.34Å; V515-I519 WeakPolarHBondContact O-CG1 3.34Å; V515-I519 PolarHBondContact O-N 3.11Å; I519-L521 VanDerWaalsContact C-N 3.33Å; I519-L521 PolarHBondContact O-N 3.06Å; I519-Q522 PolarHBondContact O-N 2.83Å; I519-V523 WeakPolarHBondContact O-CG2 3.42Å; I519-V523 PolarHBondContact O-N 3.4Å; I519-L558 HydrophobicContact CG1-CD2 4.39Å; I519-V561 HydrophobicContact CB-CG2 4.48Å; I519-V561 HydrophobicContact CG1-CG2 4.08Å
520A91.3Very high88.8Confident0 Ų027.7 Ų27.70%014%0.138CC..Hα-helixtrans-62.8-38.9177.100000112.7C477 H481 T501 E516 L524C477-A520 HydrophobicContact CB-CB 4.23Å; C477-A520 WeakPolarHBondContact O-CB 3.5Å; H481-A520 HydrophobicContact CB-CB 4.01Å; T501-A520 HydrophobicContact CG2-CB 4.02Å; E516-A520 VanDerWaalsContact O-CB 3.27Å; E516-A520 WeakPolarHBondContact O-CB 3.48Å; E516-A520 PolarHBondContact O-N 2.9Å; A520-L524 WeakPolarHBondContact O-CB 3.43Å; A520-L524 VanDerWaalsContact O-CG 3.26Å; A520-L524 WeakPolarHBondContact O-CG 3.4Å; A520-L524 PolarHBondContact O-N 3.29Å; A520-L524 VanDerWaalsContact O-N 3.1Å
521L91.4Very high88.4Confident3 Ų325.2 Ų25.22%0.01613%0.126CC..Hα-helixtrans-66.5-43.6179.4-177.360.7000111.5L498 T501 L505 A517 A518 I519 L524 I525 I535 V542L498-L521 HydrophobicContact CD2-CD1 4Å; T501-L521 HydrophobicContact CG2-CB 3.87Å; L505-L521 HydrophobicContact CD2-CD2 3.81Å; A517-L521 WeakPolarHBondContact O-CB 3.12Å; A517-L521 PolarHBondContact O-N 3Å; A518-L521 PolarHBondContact O-N 2.96Å; I519-L521 VanDerWaalsContact C-N 3.33Å; I519-L521 PolarHBondContact O-N 3.06Å; L521-L524 PolarHBondContact O-N 3.42Å; L521-I525 HydrophobicContact CD1-CD1 3.97Å; L521-I525 HydrophobicContact CD1-CG1 4.46Å; L521-I525 HydrophobicContact CG-CD1 3.85Å; L521-I525 WeakPolarHBondContact O-CD1 3.43Å; L521-I525 VanDerWaalsContact O-CG1 3.29Å; L521-I525 WeakPolarHBondContact O-CG1 3.42Å; L521-I525 PolarHBondContact O-N 3.45Å; L521-I525 VanDerWaalsContact O-N 3.11Å; L521-I535 HydrophobicContact CD1-CD1 4.11Å; L521-I535 HydrophobicContact CD1-CG1 4.37Å; L521-V542 HydrophobicContact CD2-CG1 3.82Å; L521-V542 HydrophobicContact CD2-CG2 4.14Å
522Q90.4Very high88.2Confident14 Ų1427.6 Ų27.67%0.06514%0.136CC..Hα-helixtrans-61.2-48.8178.5174.9-85-5600111.6A518 I519 L524 I525 S526 V561 K564 M565A518-Q522 PolarHBondContact O-N 3.21Å; I519-Q522 PolarHBondContact O-N 2.83Å; Q522-L524 VanDerWaalsContact C-N 3.31Å; Q522-L524 PolarHBondContact O-N 3.15Å; Q522-I525 PolarHBondContact O-N 3.16Å; Q522-I525 VanDerWaalsContact O-N 3.09Å; Q522-S526 PolarHBondContact NE2-OG 2.97Å; Q522-S526 PolarHBondContact O-N 3.42Å; Q522-S526 PolarHBondContact O-OG 3.34Å; Q522-V561 HydrophobicContact CB-CB 4.41Å; Q522-V561 HydrophobicContact CB-CG1 3.83Å; Q522-V561 HydrophobicContact CB-CG2 4.19Å; Q522-V561 HydrophobicContact CG-CG1 4.31Å; Q522-V561 HydrophobicContact CG-CG2 4.4Å; Q522-K564 HydrophobicContact CG-CB 3.88Å; Q522-K564 HydrophobicContact CG-CD 4.27Å; Q522-M565 HydrophobicContact CB-CG 4.47Å; Q522-M565 HydrophobicContact CB-SD 4.38Å; Q522-M565 HydrophobicContact CG-CG 4.46Å
523V87.4Confident88Confident24 Ų2434.2 Ų34.215%0.14517%0.166CC..Hα-helixtrans-65.7-35.4-179.4-178.20000111.7H481 C484 I519 I525 N527H481-V523 WeakPolarHBondContact ND1-CG2 3.24Å; C484-V523 HydrophobicContact CB-CB 4.39Å; C484-V523 HydrophobicContact CB-CG1 3.56Å; I519-V523 WeakPolarHBondContact O-CG2 3.42Å; I519-V523 PolarHBondContact O-N 3.4Å; V523-I525 VanDerWaalsContact C-N 3.28Å; V523-I525 PolarHBondContact O-N 2.81Å; V523-N527 WeakPolarHBondContact O-CB 3.38Å; V523-N527 PolarHBondContact O-N 2.84Å; V523-N527 VanDerWaalsContact O-N 3.14Å
524L87.3Confident87.7Confident1 Ų137.4 Ų37.41%0.00518%0.179CC..Hα-helixtrans-61.9-35.5173.3-78.5171.8000112.7C484 F488 L498 A520 L521 Q522 Q528C484-L524 HydrophobicContact CB-CD2 4.17Å; C484-L524 WeakPolarHBondContact SG-CD2 3.44Å; C484-L524 WeakPolarHBondContact SG-CG 3.27Å; F488-L524 HydrophobicContact CE2-CD2 4.36Å; L498-L524 HydrophobicContact CD2-CB 4.05Å; L498-L524 HydrophobicContact CD2-CD1 4.21Å; A520-L524 WeakPolarHBondContact O-CB 3.43Å; A520-L524 VanDerWaalsContact O-CG 3.26Å; A520-L524 WeakPolarHBondContact O-CG 3.4Å; A520-L524 PolarHBondContact O-N 3.29Å; A520-L524 VanDerWaalsContact O-N 3.1Å; L521-L524 PolarHBondContact O-N 3.42Å; Q522-L524 VanDerWaalsContact C-N 3.31Å; Q522-L524 PolarHBondContact O-N 3.15Å; L524-Q528 WeakPolarHBondContact O-CB 3.21Å; L524-Q528 PolarHBondContact O-N 3.33Å
525I87.3Confident87.5Confident0 Ų036 Ų360%017%0.173CC..Hα-helixtrans-75.1-46-179.1-71.6164.1000110.8L521 Q522 V523 N527 Q528 K532 I535 M565 E568 Y569L521-I525 HydrophobicContact CD1-CD1 3.97Å; L521-I525 HydrophobicContact CD1-CG1 4.46Å; L521-I525 HydrophobicContact CG-CD1 3.85Å; L521-I525 WeakPolarHBondContact O-CD1 3.43Å; L521-I525 VanDerWaalsContact O-CG1 3.29Å; L521-I525 WeakPolarHBondContact O-CG1 3.42Å; L521-I525 PolarHBondContact O-N 3.45Å; L521-I525 VanDerWaalsContact O-N 3.11Å; Q522-I525 PolarHBondContact O-N 3.16Å; Q522-I525 VanDerWaalsContact O-N 3.09Å; V523-I525 VanDerWaalsContact C-N 3.28Å; V523-I525 PolarHBondContact O-N 2.81Å; I525-N527 VanDerWaalsContact C-N 3.35Å; I525-N527 PolarHBondContact O-N 3.03Å; I525-Q528 PolarHBondContact O-N 3.45Å; I525-K532 HydrophobicContact CG2-CG 4.1Å; I525-I535 HydrophobicContact CD1-CB 4.45Å; I525-I535 HydrophobicContact CD1-CG1 4.3Å; I525-I535 HydrophobicContact CD1-CG2 4.09Å; I525-M565 HydrophobicContact CD1-CE 3.58Å; I525-M565 HydrophobicContact CD1-SD 3.48Å; I525-M565 WeakPolarHBondContact CD1-SD 3.19Å; I525-E568 HydrophobicContact CG2-CB 4.32Å; I525-E568 HydrophobicContact CG2-CG 4.43Å; I525-Y569 HydrophobicContact CD1-CE2 4.09Å; I525-Y569 HydrophobicContact CG2-CE2 3.76Å; I525-Y569 WeakPolarHBondContact CG2-OH 3.49Å
526S86.3Confident87.3Confident42 Ų4238.3 Ų38.329%0.29419%0.187SC..Hα-helixtrans-64-38.8-179.5-61.70000112.2Q522Q522-S526 PolarHBondContact NE2-OG 2.97Å; Q522-S526 PolarHBondContact O-N 3.42Å; Q522-S526 PolarHBondContact O-OG 3.34Å
527N84.2Confident87.2Confident82 Ų8242.2 Ų42.244%0.43921%0.213SC..THydrogen-bonded Turntrans-86-8.6-175.9-69.4-10.3000114.4V523 I525V523-N527 WeakPolarHBondContact O-CB 3.38Å; V523-N527 PolarHBondContact O-N 2.84Å; V523-N527 VanDerWaalsContact O-N 3.14Å; I525-N527 VanDerWaalsContact C-N 3.35Å; I525-N527 PolarHBondContact O-N 3.03Å
528Q81.5Confident87Confident19 Ų1945.7 Ų45.79%0.08923%0.228CC..  trans-138.4106.3-173.6-53.4-166.320.300113.1C484 V486 F488 L494 L524 I525 K530 A531C484-Q528 PolarHBondContact O-NE2 3.09Å; V486-Q528 PolarHBondContact O-NE2 3.41Å; F488-Q528 VanDerWaalsContact CD2-NE2 3.26Å; F488-Q528 VanDerWaalsContact CE2-NE2 3.31Å; L494-Q528 VanDerWaalsContact CD2-OE1 3.25Å; L524-Q528 WeakPolarHBondContact O-CB 3.21Å; L524-Q528 PolarHBondContact O-N 3.33Å; I525-Q528 PolarHBondContact O-N 3.45Å; Q528-K530 VanDerWaalsContact C-N 3.34Å; Q528-K530 PolarHBondContact O-N 3.07Å; Q528-A531 HydrophobicContact CB-CB 4.07Å; Q528-A531 WeakPolarHBondContact O-CB 3.28Å; Q528-A531 PolarHBondContact O-N 3.03Å
529E79.6Confident86.8Confident165 Ų16546 Ų4677%0.77123%0.23SC*.Hα-helixtrans-52.6-45.5-179.6-65.8175.6-178.400113.8A531 K532E529-A531 PolarHBondContact O-N 3Å; E529-K532 VanDerWaalsContact O-CB 3.3Å; E529-K532 WeakPolarHBondContact O-CB 3.18Å; E529-K532 PolarHBondContact O-N 3.37Å; E529-K532 VanDerWaalsContact O-N 3.12Å
530K83.2Confident86.7Confident95 Ų9551 Ų5141%0.41325%0.247SC..Hα-helixtrans-64.1-22.3179.3-69-172.1-176.71790113.4D491 L494 Q528 K532 Y534D491-K530 IonicContact OD1-NZ 3.42Å; D491-K530 PolarHBondContact OD1-NZ 3.45Å; D491-K530 IonicContact OD2-NZ 2.83Å; D491-K530 PolarHBondContact OD2-NZ 3.04Å; L494-K530 HydrophobicContact CD2-CB 4.1Å; Q528-K530 VanDerWaalsContact C-N 3.34Å; Q528-K530 PolarHBondContact O-N 3.07Å; K530-K532 PolarHBondContact O-N 2.94Å; K530-Y534 HydrophobicContact CB-CE2 4.35Å; K530-Y534 WeakPolarHBondContact O-CD2 3.47Å; K530-Y534 WeakPolarHBondContact O-CE2 3.45Å
531A82.9Confident86.7Confident0 Ų053.5 Ų53.50%026%0.264CS..Hα-helixtrans-65.5-33.6177.300000111.4L494 L498 Q528 E529 E533 Y534 I535L494-A531 HydrophobicContact CD1-CB 4.49Å; L498-A531 HydrophobicContact CD1-CB 3.64Å; L498-A531 HydrophobicContact CD2-CB 3.99Å; L498-A531 HydrophobicContact CG-CB 4.4Å; Q528-A531 HydrophobicContact CB-CB 4.07Å; Q528-A531 WeakPolarHBondContact O-CB 3.28Å; Q528-A531 PolarHBondContact O-N 3.03Å; E529-A531 PolarHBondContact O-N 3Å; A531-E533 PolarHBondContact O-N 3.19Å; A531-Y534 PolarHBondContact O-N 3.09Å; A531-I535 PolarHBondContact O-N 3.42Å
532K84.6Confident86.7Confident65 Ų6553.3 Ų53.328%0.28326%0.263SS..Hα-helixtrans-55.1-52.5178.2-60.2178178.3-1760110.9I525 E529 K530 Y534 I535 T536 E568 Y569I525-K532 HydrophobicContact CG2-CG 4.1Å; E529-K532 VanDerWaalsContact O-CB 3.3Å; E529-K532 WeakPolarHBondContact O-CB 3.18Å; E529-K532 PolarHBondContact O-N 3.37Å; E529-K532 VanDerWaalsContact O-N 3.12Å; K530-K532 PolarHBondContact O-N 2.94Å; K532-Y534 VanDerWaalsContact C-N 3.29Å; K532-Y534 PolarHBondContact O-N 3.05Å; K532-I535 PolarHBondContact O-N 3.27Å; K532-T536 PolarHBondContact O-N 3.12Å; K532-T536 PolarHBondContact O-OG1 3Å; K532-E568 WeakPolarHBondContact CE-OE2 3.42Å; K532-E568 IonicContact NZ-OE1 2.8Å; K532-E568 IonicContact NZ-OE2 3.71Å; K532-E568 PolarHBondContact NZ-OE2 2.79Å; K532-Y569 WeakPolarHBondContact CA-OH 3.41Å; K532-Y569 HydrophobicContact CB-CE1 4.33Å
533E86.4Confident86.7Confident144 Ų14452.7 Ų52.767%0.67326%0.26SS*.Hα-helixtrans-58.8-35.5180-62.1-174.9-177.300113.9A531A531-E533 PolarHBondContact O-N 3.19Å
534Y86.4Confident86.7Confident68 Ų6855.7 Ų55.727%0.26727%0.272SS..Hα-helixtrans-78.3-28.8-177.6-65.9-49.3000113.3Q495 L498 K530 A531 K532Q495-Y534 HydrophobicContact CG-CD1 4.04Å; Q495-Y534 HydrophobicContact CG-CD2 3.81Å; Q495-Y534 HydrophobicContact CG-CE1 3.89Å; Q495-Y534 HydrophobicContact CG-CE2 3.6Å; Q495-Y534 HydrophobicContact CG-CG 4.03Å; Q495-Y534 PolarHBondContact NE2-OH 3.4Å; L498-Y534 HydrophobicContact CD1-CD2 4.09Å; K530-Y534 HydrophobicContact CB-CE2 4.35Å; K530-Y534 WeakPolarHBondContact O-CD2 3.47Å; K530-Y534 WeakPolarHBondContact O-CE2 3.45Å; A531-Y534 PolarHBondContact O-N 3.09Å; K532-Y534 VanDerWaalsContact C-N 3.29Å; K532-Y534 PolarHBondContact O-N 3.05Å
535I88.1Confident86.8Confident3 Ų356.4 Ų56.42%0.01528%0.278CS..Hα-helixtrans-91.6-23.2-178.1-67.1-63.6000112.3L498 L521 I525 A531 K532 P537 F538 I539 Y569L498-I535 HydrophobicContact CB-CD1 4.18Å; L498-I535 HydrophobicContact CD1-CG1 4.49Å; L498-I535 HydrophobicContact CD2-CD1 4.45Å; L498-I535 HydrophobicContact CD2-CG1 4.17Å; L521-I535 HydrophobicContact CD1-CD1 4.11Å; L521-I535 HydrophobicContact CD1-CG1 4.37Å; I525-I535 HydrophobicContact CD1-CB 4.45Å; I525-I535 HydrophobicContact CD1-CG1 4.3Å; I525-I535 HydrophobicContact CD1-CG2 4.09Å; A531-I535 PolarHBondContact O-N 3.42Å; K532-I535 PolarHBondContact O-N 3.27Å; I535-P537 VanDerWaalsContact C-CD 3.41Å; I535-P537 VanDerWaalsContact C-N 3.34Å; I535-P537 VanDerWaalsContact O-N 3.09Å; I535-F538 CarbonylContact O-C 3.57Å; I535-F538 WeakPolarHBondContact O-CA 3.49Å; I535-F538 PolarHBondContact O-N 3.48Å; I535-I539 PolarHBondContact O-N 2.95Å; I535-I539 VanDerWaalsContact O-N 3.08Å; I535-Y569 WeakPolarHBondContact CB-OH 3.43Å
536T87.6Confident87Confident47 Ų4756.5 Ų56.529%0.28828%0.279SS..G310 helixtrans-36.2-52.3173.6-62.90000114.7K532 F538 I539 E572K532-T536 PolarHBondContact O-N 3.12Å; K532-T536 PolarHBondContact O-OG1 3Å; T536-F538 PolarHBondContact O-N 2.78Å; T536-F538 VanDerWaalsContact O-N 3.16Å; T536-I539 VanDerWaalsContact O-CG2 3.24Å; T536-I539 WeakPolarHBondContact O-CG2 3.46Å; T536-I539 PolarHBondContact O-N 2.65Å; T536-E572 HydrophobicContact CG2-CG 4.12Å; T536-E572 WeakPolarHBondContact CG2-OE1 3.05Å
537P88.6Confident87Confident91 Ų9155 Ų5559%0.59127%0.267SS*.G310 helixtrans-68.4-15.1-178.826.4-35000114.9I535I535-P537 VanDerWaalsContact C-CD 3.41Å; I535-P537 VanDerWaalsContact C-N 3.34Å; I535-P537 VanDerWaalsContact O-N 3.09Å
538F89.4Confident87.2Confident73 Ų7355 Ų5532%0.3226%0.264SS..G310 helixtrans-113.53.2-176.4-55.7-72.2000113.6I535 T536 R540 P541 V542I535-F538 CarbonylContact O-C 3.57Å; I535-F538 WeakPolarHBondContact O-CA 3.49Å; I535-F538 PolarHBondContact O-N 3.48Å; T536-F538 PolarHBondContact O-N 2.78Å; T536-F538 VanDerWaalsContact O-N 3.16Å; F538-R540 VanDerWaalsContact C-N 3.35Å; F538-R540 PolarHBondContact O-N 2.85Å; F538-P541 VanDerWaalsContact O-CD 3.23Å; F538-P541 WeakPolarHBondContact O-CD 3.44Å; F538-V542 WeakPolarHBondContact O-CG2 3.33Å; F538-V542 PolarHBondContact O-N 3.39Å; F538-V542 VanDerWaalsContact O-N 3.09Å
539I88.9Confident87.5Confident8 Ų854.1 Ų54.14%0.04126%0.261CS..Hα-helixtrans-58-44.5-176.4-170.358.1000112.1I535 T536 V542 M543 M565 Y569 E572I535-I539 PolarHBondContact O-N 2.95Å; I535-I539 VanDerWaalsContact O-N 3.08Å; T536-I539 VanDerWaalsContact O-CG2 3.24Å; T536-I539 WeakPolarHBondContact O-CG2 3.46Å; T536-I539 PolarHBondContact O-N 2.65Å; I539-V542 WeakPolarHBondContact O-CB 3.32Å; I539-V542 PolarHBondContact O-N 3Å; I539-V542 VanDerWaalsContact O-N 3.1Å; I539-M543 HydrophobicContact CD1-CG 4.04Å; I539-M543 HydrophobicContact CD1-SD 4.09Å; I539-M543 HydrophobicContact CG1-CG 4.12Å; I539-M543 WeakPolarHBondContact O-CG 3.36Å; I539-M543 PolarHBondContact O-N 3.4Å; I539-M565 HydrophobicContact CD1-CE 3.46Å; I539-M565 VanDerWaalsContact CD1-CE 3.46Å; I539-Y569 HydrophobicContact CD1-CD1 4.48Å; I539-Y569 HydrophobicContact CD1-CD2 3.46Å; I539-Y569 VanDerWaalsContact CD1-CD2 3.46Å; I539-Y569 HydrophobicContact CD1-CE2 3.81Å; I539-Y569 HydrophobicContact CD1-CG 3.84Å; I539-Y569 HydrophobicContact CG1-CD1 4.44Å; I539-Y569 HydrophobicContact CG1-CD2 4.12Å; I539-Y569 HydrophobicContact CG1-CG 3.96Å; I539-E572 HydrophobicContact CG2-CB 3.67Å; I539-E572 HydrophobicContact CG2-CG 4.3Å
540R88.3Confident87.8Confident126 Ų12646.5 Ų46.548%0.47523%0.225SC..Hα-helixtrans-59.6-51.8179.6177.9177.4-166-179.910.2113.1F538 V542 M543 Q544 I576 E579F538-R540 VanDerWaalsContact C-N 3.35Å; F538-R540 PolarHBondContact O-N 2.85Å; R540-V542 VanDerWaalsContact C-N 3.27Å; R540-V542 PolarHBondContact O-N 3.36Å; R540-M543 PolarHBondContact O-N 3.17Å; R540-Q544 WeakPolarHBondContact O-CG 3.43Å; R540-Q544 PolarHBondContact O-N 2.87Å; R540-I576 HydrophobicContact CB-CD1 4.4Å; R540-I576 HydrophobicContact CG-CD1 4.41Å; R540-I576 HydrophobicContact CG-CG2 4.13Å; R540-E579 IonicContact CZ-OE2 2.78Å; R540-E579 IonicContact NH2-OE2 2.59Å; R540-E579 PolarHBondContact NH2-OE2 3.39Å
541P90.3Very high87.8Confident53 Ų5346.8 Ų46.834%0.34422%0.224SC..Hα-helixtrans-56.7-37.5171.9-27.932.1000114.4I506 F538 A545I506-P541 HydrophobicContact CD1-CB 4Å; F538-P541 VanDerWaalsContact O-CD 3.23Å; F538-P541 WeakPolarHBondContact O-CD 3.44Å; P541-A545 WeakPolarHBondContact O-CB 3.34Å; P541-A545 PolarHBondContact O-N 3.34Å
542V91.9Very high87.8Confident0 Ų050.6 Ų50.60%024%0.241CC..Hα-helixtrans-64.8-51.1177.8166.80000110.4R502 L505 I506 L521 F538 I539 R540 Q544 A545 L546 M565R502-V542 HydrophobicContact CG-CG2 4.17Å; L505-V542 HydrophobicContact CD2-CG1 3.83Å; L505-V542 HydrophobicContact CD2-CG2 4.46Å; I506-V542 HydrophobicContact CD1-CG2 4.26Å; L521-V542 HydrophobicContact CD2-CG1 3.82Å; L521-V542 HydrophobicContact CD2-CG2 4.14Å; F538-V542 WeakPolarHBondContact O-CG2 3.33Å; F538-V542 PolarHBondContact O-N 3.39Å; F538-V542 VanDerWaalsContact O-N 3.09Å; I539-V542 WeakPolarHBondContact O-CB 3.32Å; I539-V542 PolarHBondContact O-N 3Å; I539-V542 VanDerWaalsContact O-N 3.1Å; R540-V542 VanDerWaalsContact C-N 3.27Å; R540-V542 PolarHBondContact O-N 3.36Å; V542-Q544 VanDerWaalsContact C-N 3.33Å; V542-Q544 PolarHBondContact O-N 3.38Å; V542-A545 WeakPolarHBondContact O-CB 3.31Å; V542-A545 PolarHBondContact O-N 3.06Å; V542-A545 VanDerWaalsContact O-N 3.11Å; V542-L546 HydrophobicContact CG1-CD1 4Å; V542-L546 HydrophobicContact CG1-CG 4.4Å; V542-L546 WeakPolarHBondContact O-CG 3.5Å; V542-L546 PolarHBondContact O-N 2.9Å; V542-M565 HydrophobicContact CG1-CE 4.07Å
543M89.6Confident87.7Confident1 Ų147.7 Ų47.71%0.00523%0.229CC..Hα-helixtrans-61.2-39.9178.8-62.3-52.2-79.100112.1I539 R540 A545 L546 L547 I562 M565 I566 I576 M580I539-M543 HydrophobicContact CD1-CG 4.04Å; I539-M543 HydrophobicContact CD1-SD 4.09Å; I539-M543 HydrophobicContact CG1-CG 4.12Å; I539-M543 WeakPolarHBondContact O-CG 3.36Å; I539-M543 PolarHBondContact O-N 3.4Å; R540-M543 PolarHBondContact O-N 3.17Å; M543-A545 VanDerWaalsContact C-N 3.35Å; M543-A545 PolarHBondContact O-N 2.98Å; M543-L546 PolarHBondContact O-N 3.01Å; M543-L546 HydrophobicContact SD-CD1 4.02Å; M543-L547 WeakPolarHBondContact O-CB 3.45Å; M543-L547 WeakPolarHBondContact O-CG 3.36Å; M543-L547 PolarHBondContact O-N 2.88Å; M543-I562 HydrophobicContact CE-CG2 3.82Å; M543-M565 HydrophobicContact CE-CB 4.14Å; M543-M565 HydrophobicContact SD-CB 3.8Å; M543-I566 HydrophobicContact CE-CG1 3.79Å; M543-I576 HydrophobicContact CB-CD1 4.28Å; M543-I576 HydrophobicContact CG-CD1 4.37Å; M543-M580 HydrophobicContact CB-SD 4.32Å; M543-M580 HydrophobicContact CE-CE 3.37Å; M543-M580 HydrophobicContact CE-SD 4.25Å
544Q88.3Confident87.3Confident86 Ų8642.8 Ų42.840%0.40221%0.206SC..Hα-helixtrans-63.6-39.3175-74.5179.1-26.900112.4R540 V542 H548 E579R540-Q544 WeakPolarHBondContact O-CG 3.43Å; R540-Q544 PolarHBondContact O-N 2.87Å; V542-Q544 VanDerWaalsContact C-N 3.33Å; V542-Q544 PolarHBondContact O-N 3.38Å; Q544-H548 WeakPolarHBondContact O-CB 3.32Å; Q544-H548 PolarHBondContact O-N 3.45Å; Q544-E579 PolarHBondContact NE2-OE1 2.93Å
545A90.1Very high87Confident16 Ų1640.2 Ų40.213%0.13220%0.197CC..Hα-helixtrans-66.4-44.9174.900000111.4L505 P541 V542 M543 L547 H548 I549L505-A545 HydrophobicContact CG-CB 4.31Å; P541-A545 WeakPolarHBondContact O-CB 3.34Å; P541-A545 PolarHBondContact O-N 3.34Å; V542-A545 WeakPolarHBondContact O-CB 3.31Å; V542-A545 PolarHBondContact O-N 3.06Å; V542-A545 VanDerWaalsContact O-N 3.11Å; M543-A545 VanDerWaalsContact C-N 3.35Å; M543-A545 PolarHBondContact O-N 2.98Å; A545-L547 PolarHBondContact O-N 3.23Å; A545-H548 WeakPolarHBondContact O-CB 3.33Å; A545-H548 PolarHBondContact O-N 3Å; A545-I549 WeakPolarHBondContact O-CD1 3.32Å; A545-I549 WeakPolarHBondContact O-CG1 3.22Å; A545-I549 PolarHBondContact O-N 2.91Å
546L90.3Very high86.7Confident3 Ų342 Ų422%0.01621%0.207CC..Hα-helixtrans-58.8-48.8177.8-68.8173.3000111.9L505 A518 V542 M543 H548 I549 V550 V561 I562 M565L505-L546 HydrophobicContact CD1-CD2 4.09Å; L505-L546 HydrophobicContact CD2-CD2 4.15Å; L505-L546 HydrophobicContact CD2-CG 4.36Å; A518-L546 HydrophobicContact CB-CD2 3.32Å; V542-L546 HydrophobicContact CG1-CD1 4Å; V542-L546 HydrophobicContact CG1-CG 4.4Å; V542-L546 WeakPolarHBondContact O-CG 3.5Å; V542-L546 PolarHBondContact O-N 2.9Å; M543-L546 PolarHBondContact O-N 3.01Å; M543-L546 HydrophobicContact SD-CD1 4.02Å; L546-H548 VanDerWaalsContact C-N 3.27Å; L546-H548 PolarHBondContact O-N 3.01Å; L546-I549 PolarHBondContact O-N 3.24Å; L546-I549 VanDerWaalsContact O-N 3.12Å; L546-V550 WeakPolarHBondContact O-CG2 3.33Å; L546-V550 PolarHBondContact O-N 3.3Å; L546-V561 HydrophobicContact CD1-CG1 4.15Å; L546-V561 HydrophobicContact CD2-CG1 3.99Å; L546-I562 HydrophobicContact CB-CD1 4Å; L546-I562 HydrophobicContact CB-CG1 3.8Å; L546-I562 HydrophobicContact CD1-CG1 4.17Å; L546-M565 HydrophobicContact CD1-CG 4.38Å
547L86.5Confident86.5Confident10 Ų1043 Ų435%0.05221%0.211CC..Hα-helixtrans-59.2-38.2177.3-74.8171.9000112.7M543 A545 R551 I562 M580 H583 L584M543-L547 WeakPolarHBondContact O-CB 3.45Å; M543-L547 WeakPolarHBondContact O-CG 3.36Å; M543-L547 PolarHBondContact O-N 2.88Å; A545-L547 PolarHBondContact O-N 3.23Å; L547-R551 PolarHBondContact O-N 2.9Å; L547-I562 HydrophobicContact CD2-CD1 3.97Å; L547-I562 HydrophobicContact CG-CD1 4.38Å; L547-M580 HydrophobicContact CD1-CB 4.04Å; L547-M580 HydrophobicContact CD1-CG 3.79Å; L547-H583 HydrophobicContact CD1-CB 4.32Å; L547-H583 PolarHBondContact O-CE1 3.25Å; L547-L584 HydrophobicContact CD2-CD1 4.49Å; L547-L584 HydrophobicContact CD2-CD2 3.53Å; L547-L584 HydrophobicContact CD2-CG 3.76Å
548H87.8Confident86.4Confident81 Ų8138.8 Ų38.838%0.37518%0.183SC..Hα-helixtrans-67.1-42.1175.9178.650.1000112.1Q544 A545 L546 R551 E552Q544-H548 WeakPolarHBondContact O-CB 3.32Å; Q544-H548 PolarHBondContact O-N 3.45Å; A545-H548 WeakPolarHBondContact O-CB 3.33Å; A545-H548 PolarHBondContact O-N 3Å; L546-H548 VanDerWaalsContact C-N 3.27Å; L546-H548 PolarHBondContact O-N 3.01Å; H548-R551 PolarHBondContact O-N 2.85Å; H548-E552 IonicContact CE1-OE1 2.63Å; H548-E552 PolarHBondContact CE1-OE1 3.48Å; H548-E552 IonicContact ND1-OE1 3.53Å; H548-E552 IonicContact NE2-OE1 3.39Å; H548-E552 PolarHBondContact NE2-OE1 3.39Å; H548-E552 PolarHBondContact O-N 2.9Å
549I88.1Confident86.3Confident2 Ų235.4 Ų35.41%0.0117%0.168CC..Hα-helixtrans-66-45.8179.2-62.1157.2000110.4L505 M511 K514 V515 A545 L546 R551 E552 T553 L558L505-I549 HydrophobicContact CD1-CD1 3.42Å; L505-I549 VanDerWaalsContact CD1-CD1 3.42Å; M511-I549 HydrophobicContact SD-CB 4.45Å; M511-I549 HydrophobicContact SD-CG1 4.15Å; M511-I549 HydrophobicContact SD-CG2 3.87Å; K514-I549 HydrophobicContact CB-CD1 3.73Å; K514-I549 HydrophobicContact CB-CG1 4.24Å; K514-I549 HydrophobicContact CD-CD1 4.24Å; K514-I549 HydrophobicContact CD-CG1 4.23Å; V515-I549 HydrophobicContact CG2-CG2 3.82Å; A545-I549 WeakPolarHBondContact O-CD1 3.32Å; A545-I549 WeakPolarHBondContact O-CG1 3.22Å; A545-I549 PolarHBondContact O-N 2.91Å; L546-I549 PolarHBondContact O-N 3.24Å; L546-I549 VanDerWaalsContact O-N 3.12Å; I549-R551 PolarHBondContact O-N 2.94Å; I549-E552 PolarHBondContact O-N 3.24Å; I549-E552 VanDerWaalsContact O-N 3.11Å; I549-T553 HydrophobicContact CG2-CG2 3.89Å; I549-T553 WeakPolarHBondContact O-CB 3.35Å; I549-T553 PolarHBondContact O-N 3.19Å; I549-T553 PolarHBondContact O-OG1 3.47Å; I549-L558 HydrophobicContact CB-CD1 4.26Å; I549-L558 HydrophobicContact CG2-CD1 3.37Å
550V86Confident86.2Confident4 Ų438.1 Ų38.12%0.02418%0.183CC..Hα-helixtrans-54.3-44.4176.2170.20000110.7L546 E552 E554 L558 T559 I562L546-V550 WeakPolarHBondContact O-CG2 3.33Å; L546-V550 PolarHBondContact O-N 3.3Å; V550-E552 VanDerWaalsContact C-N 3.34Å; V550-E552 PolarHBondContact O-N 2.95Å; V550-E554 WeakPolarHBondContact O-CA 3.24Å; V550-E554 PolarHBondContact O-N 3.33Å; V550-L558 HydrophobicContact CG2-CB 3.52Å; V550-L558 HydrophobicContact CG2-CD1 4.35Å; V550-T559 HydrophobicContact CG1-CG2 4.3Å; V550-I562 HydrophobicContact CG2-CD1 3.68Å
551R83.2Confident86.3Confident102 Ų10232.3 Ų32.339%0.38516%0.161SC..Hα-helixtrans-66.7-31.5-179.9-179.7175.4178.1-161.1-1.6114.2L547 H548 I549 T587L547-R551 PolarHBondContact O-N 2.9Å; H548-R551 PolarHBondContact O-N 2.85Å; I549-R551 PolarHBondContact O-N 2.94Å; R551-T587 HydrophobicContact CB-CG2 4.07Å; R551-T587 HydrophobicContact CG-CG2 4.21Å
552E84.1Confident86.3Confident79 Ų7929.8 Ų29.837%0.36915%0.145SC..Hα-helixtrans-89.1-33.2179.6-68.7-161168.400113.3Y373 M511 H548 I549 V550Y373-E552 HydrophobicContact CE1-CB 4.01Å; Y373-E552 WeakPolarHBondContact CE1-O 3.21Å; Y373-E552 PolarHBondContact OH-OE2 2.86Å; M511-E552 HydrophobicContact CE-CB 4.12Å; M511-E552 WeakPolarHBondContact CE-OE2 3.11Å; H548-E552 IonicContact CE1-OE1 2.63Å; H548-E552 PolarHBondContact CE1-OE1 3.48Å; H548-E552 IonicContact ND1-OE1 3.53Å; H548-E552 IonicContact NE2-OE1 3.39Å; H548-E552 PolarHBondContact NE2-OE1 3.39Å; H548-E552 PolarHBondContact O-N 2.9Å; I549-E552 PolarHBondContact O-N 3.24Å; I549-E552 VanDerWaalsContact O-N 3.11Å; V550-E552 VanDerWaalsContact C-N 3.34Å; V550-E552 PolarHBondContact O-N 2.95Å
553T80.9Confident86.1Confident5 Ų531.5 Ų31.53%0.03115%0.153CC..Hα-helixtrans-92.5-25.2-174.456.70000113.3Y373 I376 M511 V515 I549 N555Y373-T553 HydrophobicContact CD1-CG2 4.21Å; Y373-T553 HydrophobicContact CE1-CG2 4.27Å; I376-T553 HydrophobicContact CD1-CG2 4Å; M511-T553 HydrophobicContact CG-CG2 3.5Å; M511-T553 HydrophobicContact SD-CG2 3.87Å; V515-T553 HydrophobicContact CG2-CG2 4.04Å; I549-T553 HydrophobicContact CG2-CG2 3.89Å; I549-T553 WeakPolarHBondContact O-CB 3.35Å; I549-T553 PolarHBondContact O-N 3.19Å; I549-T553 PolarHBondContact O-OG1 3.47Å; T553-N555 PolarHBondContact O-N 3.35Å
554E78.9Confident86.1Confident40 Ų4036.8 Ų36.819%0.18718%0.176CC..  trans51.538.5-173.5-57.3175.2170.200111.2R377 V550 T607R377-E554 IonicContact NH2-OE2 2.86Å; R377-E554 PolarHBondContact NH2-OE2 3.09Å; V550-E554 WeakPolarHBondContact O-CA 3.24Å; V550-E554 PolarHBondContact O-N 3.33Å; E554-T607 PolarHBondContact O-OG1 3.17Å
555N80.4Confident86.2Confident15 Ų1532.9 Ų32.98%0.0816%0.158CC..  trans-100.3128.8179.8173.7-72000110F380 T553 D557 L558F380-N555 WeakPolarHBondContact CB-ND2 3.21Å; F380-N555 WeakPolarHBondContact CG-ND2 3.34Å; T553-N555 PolarHBondContact O-N 3.35Å; N555-D557 WeakPolarHBondContact OD1-CB 3.42Å; N555-D557 PolarHBondContact OD1-N 3.43Å; N555-L558 HydrophobicContact CB-CD1 4.31Å; N555-L558 PolarHBondContact OD1-N 3.47Å
556D81.2Confident86.1Confident41 Ų4132.1 Ų32.122%0.21915%0.151CC..SBendtrans-74.1-33.7-175.6-176.556.7000114.1L558 T559 N560 V606D556-L558 PolarHBondContact O-N 3.22Å; D556-T559 WeakPolarHBondContact O-CB 3.44Å; D556-T559 PolarHBondContact O-N 3.46Å; D556-T559 PolarHBondContact O-OG1 3.16Å; D556-T559 PolarHBondContact OD1-OG1 2.99Å; D556-N560 PolarHBondContact O-N 3.14Å; D556-V606 HydrophobicContact CB-CG1 4.01Å
557D83.4Confident86Confident68 Ų6835.6 Ų35.636%0.36418%0.175SC..Hα-helixtrans-55.6-30.1177.9-62.9-75.5000112.4F380 N555 N560 V561F380-D557 VanDerWaalsContact CD1-OD2 3.26Å; F380-D557 WeakPolarHBondContact CD1-OD2 3.38Å; N555-D557 WeakPolarHBondContact OD1-CB 3.42Å; N555-D557 PolarHBondContact OD1-N 3.43Å; D557-N560 PolarHBondContact O-N 2.76Å; D557-V561 WeakPolarHBondContact O-CG2 3.45Å; D557-V561 PolarHBondContact O-N 3.12Å; D557-V561 VanDerWaalsContact O-N 3.09Å
558L86.8Confident86.1Confident1 Ų137.9 Ų37.91%0.00519%0.185CC..Hα-helixtrans-72.4-25.4176.8-65.2178.6000113.6V515 A518 I519 I549 V550 N555 D556 V561 I562V515-L558 HydrophobicContact CG1-CD1 4.36Å; V515-L558 HydrophobicContact CG1-CD2 4.12Å; V515-L558 HydrophobicContact CG1-CG 4.37Å; V515-L558 HydrophobicContact CG2-CD1 4.2Å; A518-L558 HydrophobicContact CB-CD2 3.65Å; I519-L558 HydrophobicContact CG1-CD2 4.39Å; I549-L558 HydrophobicContact CB-CD1 4.26Å; I549-L558 HydrophobicContact CG2-CD1 3.37Å; V550-L558 HydrophobicContact CG2-CB 3.52Å; V550-L558 HydrophobicContact CG2-CD1 4.35Å; N555-L558 HydrophobicContact CB-CD1 4.31Å; N555-L558 PolarHBondContact OD1-N 3.47Å; D556-L558 PolarHBondContact O-N 3.22Å; L558-V561 PolarHBondContact O-N 3.27Å; L558-I562 WeakPolarHBondContact O-CG1 3.34Å; L558-I562 PolarHBondContact O-N 3.1Å; L558-I562 VanDerWaalsContact O-N 3.07Å
559T86.9Confident86.1Confident2 Ų234.1 Ų34.11%0.01217%0.168CC..Hα-helixtrans-66.7-44.517375.50000109.5V550 D556 V561 I562 Q563 G610 I611V550-T559 HydrophobicContact CG1-CG2 4.3Å; D556-T559 WeakPolarHBondContact O-CB 3.44Å; D556-T559 PolarHBondContact O-N 3.46Å; D556-T559 PolarHBondContact O-OG1 3.16Å; D556-T559 PolarHBondContact OD1-OG1 2.99Å; T559-V561 VanDerWaalsContact C-N 3.31Å; T559-V561 PolarHBondContact O-N 2.97Å; T559-I562 WeakPolarHBondContact O-CB 3.14Å; T559-I562 PolarHBondContact O-N 3.4Å; T559-Q563 WeakPolarHBondContact O-CG 3.5Å; T559-Q563 PolarHBondContact O-N 3.19Å; T559-G610 WeakPolarHBondContact OG1-CA 3.44Å; T559-I611 HydrophobicContact CG2-CG1 4.31Å
560N88.3Confident86Confident66 Ų6636.6 Ų36.635%0.35319%0.185SC..Hα-helixtrans-60.1-39.1173.3-67-37.2000112.2D556 D557 I562 Q563 K564D556-N560 PolarHBondContact O-N 3.14Å; D557-N560 PolarHBondContact O-N 2.76Å; N560-I562 VanDerWaalsContact C-N 3.34Å; N560-I562 PolarHBondContact O-N 3.25Å; N560-Q563 PolarHBondContact O-N 2.48Å; N560-K564 PolarHBondContact O-N 2.97Å; N560-K564 VanDerWaalsContact O-N 3.07Å
561V89.3Confident86Confident4 Ų444 Ų442%0.02422%0.22CC..Hα-helixtrans-59.9-44.7172.9164.50000111.3A518 I519 Q522 L546 D557 L558 T559 M565A518-V561 HydrophobicContact CB-CG1 4.39Å; I519-V561 HydrophobicContact CB-CG2 4.48Å; I519-V561 HydrophobicContact CG1-CG2 4.08Å; Q522-V561 HydrophobicContact CB-CB 4.41Å; Q522-V561 HydrophobicContact CB-CG1 3.83Å; Q522-V561 HydrophobicContact CB-CG2 4.19Å; Q522-V561 HydrophobicContact CG-CG1 4.31Å; Q522-V561 HydrophobicContact CG-CG2 4.4Å; L546-V561 HydrophobicContact CD1-CG1 4.15Å; L546-V561 HydrophobicContact CD2-CG1 3.99Å; D557-V561 WeakPolarHBondContact O-CG2 3.45Å; D557-V561 PolarHBondContact O-N 3.12Å; D557-V561 VanDerWaalsContact O-N 3.09Å; L558-V561 PolarHBondContact O-N 3.27Å; T559-V561 VanDerWaalsContact C-N 3.31Å; T559-V561 PolarHBondContact O-N 2.97Å; V561-M565 HydrophobicContact CG1-CG 4.45Å; V561-M565 WeakPolarHBondContact O-CB 3.37Å; V561-M565 WeakPolarHBondContact O-CG 3.46Å; V561-M565 PolarHBondContact O-N 3.44Å; V561-M565 VanDerWaalsContact O-N 3.08Å
562I90.3Very high86.1Confident0 Ų042 Ų420%022%0.215CC..Hα-helixtrans-64.7-44.2178.4-68.2173.6000110.9M543 L546 L547 V550 L558 T559 N560 M565 I566 M580 T614M543-I562 HydrophobicContact CE-CG2 3.82Å; L546-I562 HydrophobicContact CB-CD1 4Å; L546-I562 HydrophobicContact CB-CG1 3.8Å; L546-I562 HydrophobicContact CD1-CG1 4.17Å; L547-I562 HydrophobicContact CD2-CD1 3.97Å; L547-I562 HydrophobicContact CG-CD1 4.38Å; V550-I562 HydrophobicContact CG2-CD1 3.68Å; L558-I562 WeakPolarHBondContact O-CG1 3.34Å; L558-I562 PolarHBondContact O-N 3.1Å; L558-I562 VanDerWaalsContact O-N 3.07Å; T559-I562 WeakPolarHBondContact O-CB 3.14Å; T559-I562 PolarHBondContact O-N 3.4Å; N560-I562 VanDerWaalsContact C-N 3.34Å; N560-I562 PolarHBondContact O-N 3.25Å; I562-M565 PolarHBondContact O-N 3.13Å; I562-I566 HydrophobicContact CG2-CD1 3.69Å; I562-I566 HydrophobicContact CG2-CG1 4.25Å; I562-I566 VanDerWaalsContact O-CG1 3.27Å; I562-I566 WeakPolarHBondContact O-CG1 3.29Å; I562-I566 PolarHBondContact O-N 2.95Å; I562-M580 HydrophobicContact CG2-CE 4.31Å; I562-T614 HydrophobicContact CB-CG2 4.17Å; I562-T614 HydrophobicContact CG2-CG2 3.51Å
563Q88.5Confident86.3Confident35 Ų3538.3 Ų38.316%0.16420%0.197CC..Hα-helixtrans-56.6-52.2178.1-72.1172.518.700111.8T559 N560 M565 I566 C567 G610 T614 T617T559-Q563 WeakPolarHBondContact O-CG 3.5Å; T559-Q563 PolarHBondContact O-N 3.19Å; N560-Q563 PolarHBondContact O-N 2.48Å; Q563-M565 VanDerWaalsContact C-N 3.28Å; Q563-M565 PolarHBondContact O-N 3.39Å; Q563-I566 WeakPolarHBondContact O-CB 3.49Å; Q563-I566 PolarHBondContact O-N 3.16Å; Q563-C567 PolarHBondContact O-N 2.92Å; Q563-C567 VanDerWaalsContact O-N 3.09Å; Q563-C567 PolarHBondContact O-SG 3.37Å; Q563-G610 PolarHBondContact NE2-O 2.89Å; Q563-T614 HydrophobicContact CG-CG2 4.12Å; Q563-T614 WeakPolarHBondContact CG-OG1 3.3Å; Q563-T614 PolarHBondContact NE2-OG1 3.19Å; Q563-T617 HydrophobicContact CB-CG2 4.39Å
564K89.5Confident86.5Confident113 Ų11338.8 Ų38.849%0.49120%0.201SC..Hα-helixtrans-59.7-40.5177.7-69.9-175-179.9-178.70111.7Q522 N560 I566 C567 E568Q522-K564 HydrophobicContact CG-CB 3.88Å; Q522-K564 HydrophobicContact CG-CD 4.27Å; N560-K564 PolarHBondContact O-N 2.97Å; N560-K564 VanDerWaalsContact O-N 3.07Å; K564-I566 VanDerWaalsContact C-N 3.3Å; K564-I566 PolarHBondContact O-N 3.26Å; K564-C567 PolarHBondContact O-N 2.93Å; K564-E568 WeakPolarHBondContact O-CG 3.31Å; K564-E568 PolarHBondContact O-N 2.86Å; K564-E568 VanDerWaalsContact O-N 3.14Å
565M88.9Confident86.9Confident3 Ų341.8 Ų41.82%0.01522%0.223CC..Hα-helixtrans-66-30.7175.9-68.2-70.5-6200113.1Q522 I525 I539 V542 M543 L546 V561 I562 Q563 Y569Q522-M565 HydrophobicContact CB-CG 4.47Å; Q522-M565 HydrophobicContact CB-SD 4.38Å; Q522-M565 HydrophobicContact CG-CG 4.46Å; I525-M565 HydrophobicContact CD1-CE 3.58Å; I525-M565 HydrophobicContact CD1-SD 3.48Å; I525-M565 WeakPolarHBondContact CD1-SD 3.19Å; I539-M565 HydrophobicContact CD1-CE 3.46Å; I539-M565 VanDerWaalsContact CD1-CE 3.46Å; V542-M565 HydrophobicContact CG1-CE 4.07Å; M543-M565 HydrophobicContact CE-CB 4.14Å; M543-M565 HydrophobicContact SD-CB 3.8Å; L546-M565 HydrophobicContact CD1-CG 4.38Å; V561-M565 HydrophobicContact CG1-CG 4.45Å; V561-M565 WeakPolarHBondContact O-CB 3.37Å; V561-M565 WeakPolarHBondContact O-CG 3.46Å; V561-M565 PolarHBondContact O-N 3.44Å; V561-M565 VanDerWaalsContact O-N 3.08Å; I562-M565 PolarHBondContact O-N 3.13Å; Q563-M565 VanDerWaalsContact C-N 3.28Å; Q563-M565 PolarHBondContact O-N 3.39Å; M565-Y569 HydrophobicContact CE-CD2 4.1Å; M565-Y569 HydrophobicContact CE-CE2 3.7Å; M565-Y569 WeakPolarHBondContact O-CD2 3.33Å; M565-Y569 PolarHBondContact O-N 2.96Å; M565-Y569 HydrophobicContact SD-CE2 4.26Å
566I89.3Confident87.3Confident0 Ų041.7 Ų41.70%022%0.223CC..Hα-helixtrans-68.2-45.9175.4-70.9165000110.5M543 I562 Q563 K564 E568 Y569 S570 V573 M580 T614 T617 L618 V621M543-I566 HydrophobicContact CE-CG1 3.79Å; I562-I566 HydrophobicContact CG2-CD1 3.69Å; I562-I566 HydrophobicContact CG2-CG1 4.25Å; I562-I566 VanDerWaalsContact O-CG1 3.27Å; I562-I566 WeakPolarHBondContact O-CG1 3.29Å; I562-I566 PolarHBondContact O-N 2.95Å; Q563-I566 WeakPolarHBondContact O-CB 3.49Å; Q563-I566 PolarHBondContact O-N 3.16Å; K564-I566 VanDerWaalsContact C-N 3.3Å; K564-I566 PolarHBondContact O-N 3.26Å; I566-E568 VanDerWaalsContact C-N 3.32Å; I566-E568 PolarHBondContact O-N 3.06Å; I566-Y569 PolarHBondContact O-N 3.42Å; I566-S570 PolarHBondContact O-N 3.38Å; I566-V573 HydrophobicContact CG1-CG1 4.21Å; I566-V573 HydrophobicContact CG2-CG1 4.29Å; I566-M580 HydrophobicContact CD1-CE 3.93Å; I566-M580 HydrophobicContact CG1-CE 4.03Å; I566-T614 HydrophobicContact CD1-CG2 3.89Å; I566-T617 HydrophobicContact CG2-CG2 4.26Å; I566-L618 HydrophobicContact CD1-CB 4.29Å; I566-L618 HydrophobicContact CD1-CD1 4.33Å; I566-L618 HydrophobicContact CG2-CD1 4.01Å; I566-V621 HydrophobicContact CG2-CB 4.16Å; I566-V621 HydrophobicContact CG2-CG1 4.4Å; I566-V621 HydrophobicContact CG2-CG2 3.84Å
567C87.8Confident87.7Confident76 Ų7639.7 Ų39.751%0.51421%0.212SC..Hα-helixtrans-62.8-38.8179-60.30000112.2Q563 K564 T617Q563-C567 PolarHBondContact O-N 2.92Å; Q563-C567 VanDerWaalsContact O-N 3.09Å; Q563-C567 PolarHBondContact O-SG 3.37Å; K564-C567 PolarHBondContact O-N 2.93Å; C567-T617 VanDerWaalsContact SG-CG2 3.58Å
568E87.8Confident88Confident58 Ų5838 Ų3827%0.27120%0.204SC..Hα-helixtrans-76.8-21.3-176.3-63.3-75.4-156.100114.3I525 K532 K564 I566I525-E568 HydrophobicContact CG2-CB 4.32Å; I525-E568 HydrophobicContact CG2-CG 4.43Å; K532-E568 WeakPolarHBondContact CE-OE2 3.42Å; K532-E568 IonicContact NZ-OE1 2.8Å; K532-E568 IonicContact NZ-OE2 3.71Å; K532-E568 PolarHBondContact NZ-OE2 2.79Å; K564-E568 WeakPolarHBondContact O-CG 3.31Å; K564-E568 PolarHBondContact O-N 2.86Å; K564-E568 VanDerWaalsContact O-N 3.14Å; I566-E568 VanDerWaalsContact C-N 3.32Å; I566-E568 PolarHBondContact O-N 3.06Å
569Y88Confident88.1Confident3 Ų342 Ų421%0.01222%0.222CC..THydrogen-bonded Turntrans-129.647.5-177.4-61.7-82.1000112.3I525 K532 I535 I539 M565 I566 E571 E572 V573I525-Y569 HydrophobicContact CD1-CE2 4.09Å; I525-Y569 HydrophobicContact CG2-CE2 3.76Å; I525-Y569 WeakPolarHBondContact CG2-OH 3.49Å; K532-Y569 WeakPolarHBondContact CA-OH 3.41Å; K532-Y569 HydrophobicContact CB-CE1 4.33Å; I535-Y569 WeakPolarHBondContact CB-OH 3.43Å; I539-Y569 HydrophobicContact CD1-CD1 4.48Å; I539-Y569 HydrophobicContact CD1-CD2 3.46Å; I539-Y569 VanDerWaalsContact CD1-CD2 3.46Å; I539-Y569 HydrophobicContact CD1-CE2 3.81Å; I539-Y569 HydrophobicContact CD1-CG 3.84Å; I539-Y569 HydrophobicContact CG1-CD1 4.44Å; I539-Y569 HydrophobicContact CG1-CD2 4.12Å; I539-Y569 HydrophobicContact CG1-CG 3.96Å; M565-Y569 HydrophobicContact CE-CD2 4.1Å; M565-Y569 HydrophobicContact CE-CE2 3.7Å; M565-Y569 WeakPolarHBondContact O-CD2 3.33Å; M565-Y569 PolarHBondContact O-N 2.96Å; M565-Y569 HydrophobicContact SD-CE2 4.26Å; I566-Y569 PolarHBondContact O-N 3.42Å; Y569-E571 VanDerWaalsContact C-N 3.33Å; Y569-E571 PolarHBondContact O-N 3.15Å; Y569-E572 PolarHBondContact O-N 3.5Å; Y569-V573 VanDerWaalsContact O-CB 3.28Å; Y569-V573 WeakPolarHBondContact O-CB 3.34Å; Y569-V573 WeakPolarHBondContact O-CG2 3.34Å; Y569-V573 PolarHBondContact O-N 3.13Å
570S85.9Confident88.1Confident53 Ų5342.1 Ų42.137%0.37122%0.223SC..Hα-helixtrans-52.8-45.9-176.8540000113.5I566 E572 T574 V621I566-S570 PolarHBondContact O-N 3.38Å; S570-E572 PolarHBondContact O-N 2.92Å; S570-T574 PolarHBondContact O-N 3Å; S570-T574 VanDerWaalsContact O-N 3.11Å; S570-T574 PolarHBondContact O-OG1 3.48Å; S570-V621 VanDerWaalsContact CB-CG1 3.47Å
571E86.1Confident88.3Confident161 Ų16139 Ų3975%0.75221%0.206SC*.Hα-helixtrans-64.1-42.7-178.8-64.6-167.9174.900112.5Y569 P575Y569-E571 VanDerWaalsContact C-N 3.33Å; Y569-E571 PolarHBondContact O-N 3.15Å; E571-P575 VanDerWaalsContact O-CD 3.3Å; E571-P575 WeakPolarHBondContact O-CD 3.5Å
572E86.7Confident88.3Confident60 Ų6043 Ų4328%0.2823%0.225SC..Hα-helixtrans-82.5-23.6-177.1-60.888.6162.200113.7T536 I539 Y569 S570 P575T536-E572 HydrophobicContact CG2-CG 4.12Å; T536-E572 WeakPolarHBondContact CG2-OE1 3.05Å; I539-E572 HydrophobicContact CG2-CB 3.67Å; I539-E572 HydrophobicContact CG2-CG 4.3Å; Y569-E572 PolarHBondContact O-N 3.5Å; S570-E572 PolarHBondContact O-N 2.92Å; E572-P575 VanDerWaalsContact O-CD 3.29Å; E572-P575 WeakPolarHBondContact O-CD 3.44Å; E572-P575 VanDerWaalsContact O-CG 3.26Å; E572-P575 WeakPolarHBondContact O-CG 3.41Å
573V86.8Confident88.2Confident0 Ų045.1 Ų45.10%024%0.235CC..Hα-helixtrans-79.4-35.8176.7169.80000111.6I566 Y569 P575 I576 A577 M580 L618I566-V573 HydrophobicContact CG1-CG1 4.21Å; I566-V573 HydrophobicContact CG2-CG1 4.29Å; Y569-V573 VanDerWaalsContact O-CB 3.28Å; Y569-V573 WeakPolarHBondContact O-CB 3.34Å; Y569-V573 WeakPolarHBondContact O-CG2 3.34Å; Y569-V573 PolarHBondContact O-N 3.13Å; V573-P575 VanDerWaalsContact C-CD 3.48Å; V573-I576 CarbonylContact O-C 3.56Å; V573-I576 WeakPolarHBondContact O-CG1 3.31Å; V573-I576 PolarHBondContact O-N 3.14Å; V573-A577 PolarHBondContact O-N 2.71Å; V573-M580 HydrophobicContact CG1-CE 4.48Å; V573-M580 HydrophobicContact CG1-SD 3.98Å; V573-L618 HydrophobicContact CG1-CD1 3.57Å
574T86.5Confident88.2Confident16 Ų1643.6 Ų43.610%0.09823%0.227CC..G310 helixtrans-43-50.6176.6-65.20000114.6S570 I576 A577 I628S570-T574 PolarHBondContact O-N 3Å; S570-T574 VanDerWaalsContact O-N 3.11Å; S570-T574 PolarHBondContact O-OG1 3.48Å; T574-I576 VanDerWaalsContact C-N 3.25Å; T574-I576 PolarHBondContact O-N 3.31Å; T574-A577 WeakPolarHBondContact O-CB 3.27Å; T574-A577 PolarHBondContact O-N 3.35Å; T574-I628 HydrophobicContact CG2-CD1 3.36Å
575P87.4Confident88.2Confident102 Ų10238.5 Ų38.566%0.66221%0.206SC*.G310 helixtrans-69.2-16.8-179.527.8-37.4000114.9E571 E572 V573E571-P575 VanDerWaalsContact O-CD 3.3Å; E571-P575 WeakPolarHBondContact O-CD 3.5Å; E572-P575 VanDerWaalsContact O-CD 3.29Å; E572-P575 WeakPolarHBondContact O-CD 3.44Å; E572-P575 VanDerWaalsContact O-CG 3.26Å; E572-P575 WeakPolarHBondContact O-CG 3.41Å; V573-P575 VanDerWaalsContact C-CD 3.48Å
576I88.2Confident88.2Confident13 Ų1343.7 Ų43.77%0.06723%0.232CC..G310 helixtrans-108.1-3.9178.659.6170.1000113R540 M543 V573 T574 V578 E579 M580R540-I576 HydrophobicContact CB-CD1 4.4Å; R540-I576 HydrophobicContact CG-CD1 4.41Å; R540-I576 HydrophobicContact CG-CG2 4.13Å; M543-I576 HydrophobicContact CB-CD1 4.28Å; M543-I576 HydrophobicContact CG-CD1 4.37Å; V573-I576 CarbonylContact O-C 3.56Å; V573-I576 WeakPolarHBondContact O-CG1 3.31Å; V573-I576 PolarHBondContact O-N 3.14Å; T574-I576 VanDerWaalsContact C-N 3.25Å; T574-I576 PolarHBondContact O-N 3.31Å; I576-V578 VanDerWaalsContact C-N 3.29Å; I576-V578 PolarHBondContact O-N 3.04Å; I576-E579 WeakPolarHBondContact O-CB 3.44Å; I576-E579 PolarHBondContact O-N 3.41Å; I576-M580 HydrophobicContact CD1-CG 4.42Å; I576-M580 HydrophobicContact CD1-SD 3.7Å; I576-M580 HydrophobicContact CG1-CG 4.37Å; I576-M580 HydrophobicContact CG1-SD 3.81Å; I576-M580 WeakPolarHBondContact O-CG 3.39Å; I576-M580 PolarHBondContact O-N 2.9Å
577A89Confident88Confident0 Ų044 Ų440%023%0.234CC..Hα-helixtrans-50.3-45.7-176.800000112.6V573 T574 E579 M580 T581 L618 V622 I628 L632V573-A577 PolarHBondContact O-N 2.71Å; T574-A577 WeakPolarHBondContact O-CB 3.27Å; T574-A577 PolarHBondContact O-N 3.35Å; A577-E579 PolarHBondContact O-N 3.4Å; A577-M580 PolarHBondContact O-N 3.46Å; A577-M580 VanDerWaalsContact O-N 3.16Å; A577-T581 PolarHBondContact O-N 3.43Å; A577-T581 PolarHBondContact O-OG1 3.28Å; A577-L618 HydrophobicContact CB-CD1 3.88Å; A577-L618 HydrophobicContact CB-CD2 4.17Å; A577-L618 HydrophobicContact CB-CG 4.19Å; A577-V622 HydrophobicContact CB-CG1 3.99Å; A577-I628 HydrophobicContact CB-CG2 4.3Å; A577-L632 HydrophobicContact CB-CD1 4.49Å
578V90Very high88Confident31 Ų3140.3 Ų40.319%0.18821%0.209CC..Hα-helixtrans-61.8-41.7179.3-176.40000112.5I576 M580 Q582 I628 Q631 L632 I635I576-V578 VanDerWaalsContact C-N 3.29Å; I576-V578 PolarHBondContact O-N 3.04Å; V578-M580 VanDerWaalsContact C-N 3.33Å; V578-Q582 VanDerWaalsContact O-CG 3.22Å; V578-Q582 WeakPolarHBondContact O-CG 3.32Å; V578-Q582 PolarHBondContact O-N 3.36Å; V578-I628 HydrophobicContact CG2-CG2 4.24Å; V578-Q631 HydrophobicContact CG2-CB 4.1Å; V578-L632 HydrophobicContact CB-CD2 4.31Å; V578-L632 HydrophobicContact CG2-CD2 4Å; V578-I635 HydrophobicContact CG1-CD1 4.19Å
579E88.6Confident87.9Confident85 Ų8539.2 Ų39.240%0.39721%0.205SC..Hα-helixtrans-65.5-40.1177.1-171.4-175.2155.600110.4R540 Q544 I576 A577 H583R540-E579 IonicContact CZ-OE2 2.78Å; R540-E579 IonicContact NH2-OE2 2.59Å; R540-E579 PolarHBondContact NH2-OE2 3.39Å; Q544-E579 PolarHBondContact NE2-OE1 2.93Å; I576-E579 WeakPolarHBondContact O-CB 3.44Å; I576-E579 PolarHBondContact O-N 3.41Å; A577-E579 PolarHBondContact O-N 3.4Å; E579-H583 PolarHBondContact O-N 3.23Å
580M87.9Confident87.7Confident5 Ų542.5 Ų42.53%0.02522%0.221CC..Hα-helixtrans-67.5-50.7179.5-64.6-177.549.400112.3M543 L547 I562 I566 V573 I576 A577 V578 Q582 H583 L584 L618M543-M580 HydrophobicContact CB-SD 4.32Å; M543-M580 HydrophobicContact CE-CE 3.37Å; M543-M580 HydrophobicContact CE-SD 4.25Å; L547-M580 HydrophobicContact CD1-CB 4.04Å; L547-M580 HydrophobicContact CD1-CG 3.79Å; I562-M580 HydrophobicContact CG2-CE 4.31Å; I566-M580 HydrophobicContact CD1-CE 3.93Å; I566-M580 HydrophobicContact CG1-CE 4.03Å; V573-M580 HydrophobicContact CG1-CE 4.48Å; V573-M580 HydrophobicContact CG1-SD 3.98Å; I576-M580 HydrophobicContact CD1-CG 4.42Å; I576-M580 HydrophobicContact CD1-SD 3.7Å; I576-M580 HydrophobicContact CG1-CG 4.37Å; I576-M580 HydrophobicContact CG1-SD 3.81Å; I576-M580 WeakPolarHBondContact O-CG 3.39Å; I576-M580 PolarHBondContact O-N 2.9Å; A577-M580 PolarHBondContact O-N 3.46Å; A577-M580 VanDerWaalsContact O-N 3.16Å; V578-M580 VanDerWaalsContact C-N 3.33Å; M580-Q582 PolarHBondContact O-N 2.97Å; M580-H583 PolarHBondContact O-N 3.28Å; M580-L584 WeakPolarHBondContact O-CG 3.48Å; M580-L584 PolarHBondContact O-N 3.4Å; M580-L618 HydrophobicContact CB-CD2 4.25Å
581T90.9Very high87.3Confident0 Ų040.3 Ų40.30%021%0.205CC..Hα-helixtrans-59.6-37.1178.1-500000111.5A577 L584 A585 I615 L618 L632 I635A577-T581 PolarHBondContact O-N 3.43Å; A577-T581 PolarHBondContact O-OG1 3.28Å; T581-L584 PolarHBondContact O-N 3.2Å; T581-A585 VanDerWaalsContact O-CB 3.23Å; T581-A585 WeakPolarHBondContact O-CB 3.48Å; T581-A585 PolarHBondContact O-N 3.06Å; T581-I615 HydrophobicContact CG2-CG1 4.4Å; T581-I615 HydrophobicContact CG2-CG2 4Å; T581-L618 WeakPolarHBondContact OG1-CD2 3.36Å; T581-L632 HydrophobicContact CG2-CD2 4.14Å; T581-L632 VanDerWaalsContact OG1-CD2 3.24Å; T581-L632 WeakPolarHBondContact OG1-CD2 3.2Å; T581-I635 HydrophobicContact CG2-CB 4.23Å; T581-I635 HydrophobicContact CG2-CD1 4.4Å; T581-I635 HydrophobicContact CG2-CG2 3.88Å
582Q90.5Very high87Confident89 Ų8933.5 Ų33.542%0.41617%0.173SC..Hα-helixtrans-61.7-44.2173.4-74.8174.93.300112.1V578 M580 M586 I635V578-Q582 VanDerWaalsContact O-CG 3.22Å; V578-Q582 WeakPolarHBondContact O-CG 3.32Å; V578-Q582 PolarHBondContact O-N 3.36Å; M580-Q582 PolarHBondContact O-N 2.97Å; Q582-M586 WeakPolarHBondContact O-CB 3.4Å; Q582-M586 VanDerWaalsContact O-CG 3.25Å; Q582-M586 WeakPolarHBondContact O-CG 3.42Å; Q582-M586 PolarHBondContact O-N 3.23Å; Q582-I635 HydrophobicContact CG-CD1 3.49Å; Q582-I635 VanDerWaalsContact CG-CD1 3.49Å; Q582-I635 HydrophobicContact CG-CG1 4.11Å
583H87.7Confident86.4Confident45 Ų4537.9 Ų37.921%0.20819%0.194CC..Hα-helixtrans-67.5-41.4179.2-165.3-83.1000112.1L547 E579 M580 M586 T587L547-H583 HydrophobicContact CD1-CB 4.32Å; L547-H583 PolarHBondContact O-CE1 3.25Å; E579-H583 PolarHBondContact O-N 3.23Å; M580-H583 PolarHBondContact O-N 3.28Å; H583-M586 PolarHBondContact O-N 2.96Å; H583-T587 WeakPolarHBondContact O-CB 3.42Å; H583-T587 PolarHBondContact O-N 3.44Å; H583-T587 PolarHBondContact O-OG1 2.64Å
584L89Confident85.4Confident2 Ų240.2 Ų40.21%0.0121%0.209CC..Hα-helixtrans-61.2-49.1174.9-71172.6000110.8L547 M580 T581 M586 T587 F588 I611 T614 I615L547-L584 HydrophobicContact CD2-CD1 4.49Å; L547-L584 HydrophobicContact CD2-CD2 3.53Å; L547-L584 HydrophobicContact CD2-CG 3.76Å; M580-L584 WeakPolarHBondContact O-CG 3.48Å; M580-L584 PolarHBondContact O-N 3.4Å; T581-L584 PolarHBondContact O-N 3.2Å; L584-M586 VanDerWaalsContact C-N 3.33Å; L584-M586 PolarHBondContact O-N 2.92Å; L584-T587 PolarHBondContact O-N 3.35Å; L584-T587 VanDerWaalsContact O-N 3.1Å; L584-F588 WeakPolarHBondContact O-CB 3.5Å; L584-F588 PolarHBondContact O-N 2.97Å; L584-I611 HydrophobicContact CB-CG2 3.95Å; L584-I611 HydrophobicContact CD2-CG2 4.16Å; L584-T614 HydrophobicContact CD1-CG2 3.75Å; L584-T614 HydrophobicContact CD2-CG2 4.39Å; L584-I615 HydrophobicContact CB-CD1 4Å; L584-I615 HydrophobicContact CB-CG1 3.86Å; L584-I615 HydrophobicContact CD1-CG1 3.87Å
585A90.1Very high84Confident6 Ų640.6 Ų40.65%0.0522%0.215CC..Hα-helixtrans-61.5-37.3176.600000113.1T581 N589 I635 V639T581-A585 VanDerWaalsContact O-CB 3.23Å; T581-A585 WeakPolarHBondContact O-CB 3.48Å; T581-A585 PolarHBondContact O-N 3.06Å; A585-N589 WeakPolarHBondContact O-CB 3.47Å; A585-N589 PolarHBondContact O-N 3.22Å; A585-N589 PolarHBondContact O-ND2 3.05Å; A585-I635 HydrophobicContact CB-CG2 3.63Å; A585-V639 HydrophobicContact CB-CG2 3.57Å
586M87.9Confident82.2Confident113 Ų11339.2 Ų39.256%0.55721%0.206SC*.Hα-helixtrans-65.6-40.8173.7-74.8180-164.700112Q582 H583 L584 N589 Q590Q582-M586 WeakPolarHBondContact O-CB 3.4Å; Q582-M586 VanDerWaalsContact O-CG 3.25Å; Q582-M586 WeakPolarHBondContact O-CG 3.42Å; Q582-M586 PolarHBondContact O-N 3.23Å; H583-M586 PolarHBondContact O-N 2.96Å; L584-M586 VanDerWaalsContact C-N 3.33Å; L584-M586 PolarHBondContact O-N 2.92Å; M586-N589 PolarHBondContact O-N 3.23Å; M586-Q590 PolarHBondContact O-N 3.33Å
587T85.3Confident80.3Confident5 Ų546.8 Ų46.83%0.03125%0.247CC..Hα-helixtrans-66.2-46.6178.8-52.90000110R551 H583 L584 N589 Q590 V591 I611R551-T587 HydrophobicContact CB-CG2 4.07Å; R551-T587 HydrophobicContact CG-CG2 4.21Å; H583-T587 WeakPolarHBondContact O-CB 3.42Å; H583-T587 PolarHBondContact O-N 3.44Å; H583-T587 PolarHBondContact O-OG1 2.64Å; L584-T587 PolarHBondContact O-N 3.35Å; L584-T587 VanDerWaalsContact O-N 3.1Å; T587-N589 PolarHBondContact O-N 3.04Å; T587-Q590 WeakPolarHBondContact O-CB 3.35Å; T587-Q590 PolarHBondContact O-N 3.02Å; T587-V591 WeakPolarHBondContact O-CG2 2.91Å; T587-V591 PolarHBondContact O-N 3.06Å; T587-I611 HydrophobicContact CG2-CD1 3.72Å
588F87.7Confident78.6Confident0 Ų052.5 Ų52.50%027%0.274CS..Hα-helixtrans-54-49.1173.7179.9-98.7000112.6L584 Q590 V591 I592 A608 I611 L612 V639 V643 F651L584-F588 WeakPolarHBondContact O-CB 3.5Å; L584-F588 PolarHBondContact O-N 2.97Å; F588-Q590 VanDerWaalsContact C-N 3.28Å; F588-Q590 PolarHBondContact O-N 3.12Å; F588-V591 PolarHBondContact O-N 3.16Å; F588-I592 HydrophobicContact CD1-CD1 4Å; F588-I592 HydrophobicContact CD1-CG1 4.47Å; F588-I592 HydrophobicContact CE1-CD1 3.23Å; F588-I592 HydrophobicContact CE1-CG1 4.11Å; F588-I592 HydrophobicContact CE2-CD1 3.95Å; F588-I592 HydrophobicContact CE2-CG1 4.38Å; F588-I592 HydrophobicContact CZ-CD1 3.22Å; F588-I592 HydrophobicContact CZ-CG1 4.09Å; F588-I592 PolarHBondContact O-N 3.42Å; F588-A608 HydrophobicContact CD2-CB 3.92Å; F588-A608 HydrophobicContact CE2-CB 3.91Å; F588-I611 HydrophobicContact CB-CG2 4.01Å; F588-L612 HydrophobicContact CD2-CD1 4.49Å; F588-L612 HydrophobicContact CD2-CD2 3.89Å; F588-L612 HydrophobicContact CD2-CG 3.97Å; F588-L612 HydrophobicContact CE1-CD2 4.42Å; F588-L612 HydrophobicContact CE2-CD1 3.6Å; F588-L612 HydrophobicContact CE2-CD2 3.64Å; F588-L612 HydrophobicContact CE2-CG 3.56Å; F588-L612 HydrophobicContact CG-CD2 4.38Å; F588-L612 HydrophobicContact CZ-CD1 3.93Å; F588-L612 HydrophobicContact CZ-CD2 3.89Å; F588-L612 HydrophobicContact CZ-CG 4.17Å; F588-V639 HydrophobicContact CD1-CG1 3.71Å; F588-V639 HydrophobicContact CE1-CG1 3.55Å; F588-V639 HydrophobicContact CG-CG1 4.38Å; F588-V639 HydrophobicContact CZ-CG1 4.13Å; F588-V643 HydrophobicContact CE1-CG2 3.77Å; F588-V643 HydrophobicContact CZ-CG2 3.55Å; F588-F651 HydrophobicContact CZ-CD2 4.34Å
589N85.6Confident76.4Confident35 Ų3560.9 Ų60.919%0.18731%0.311CS..Hα-helixtrans-62.9-33.6177.6-79.9-58.9000113.1A585 M586 T587 Q593A585-N589 WeakPolarHBondContact O-CB 3.47Å; A585-N589 PolarHBondContact O-N 3.22Å; A585-N589 PolarHBondContact O-ND2 3.05Å; M586-N589 PolarHBondContact O-N 3.23Å; T587-N589 PolarHBondContact O-N 3.04Å; N589-Q593 WeakPolarHBondContact O-CB 3.37Å; N589-Q593 WeakPolarHBondContact O-CG 3.5Å; N589-Q593 PolarHBondContact O-N 3.46Å; N589-Q593 VanDerWaalsContact O-N 3.08Å
590Q83.1Confident74.8Confident71 Ų7158.7 Ų58.733%0.33231%0.311SS..Hα-helixtrans-67.3-45.1175.3-177-178.7-31.300110.7M586 T587 F588 Q593 T594M586-Q590 PolarHBondContact O-N 3.33Å; T587-Q590 WeakPolarHBondContact O-CB 3.35Å; T587-Q590 PolarHBondContact O-N 3.02Å; F588-Q590 VanDerWaalsContact C-N 3.28Å; F588-Q590 PolarHBondContact O-N 3.12Å; Q590-Q593 PolarHBondContact O-N 2.79Å; Q590-T594 PolarHBondContact O-N 3.05Å; Q590-T594 PolarHBondContact O-OG1 2.88Å
591V79.3Confident73.5Confident8 Ų858.7 Ų58.75%0.04831%0.313CS..Hα-helixtrans-61.7-49.1179.2176.40000110.4T587 F588 Q593 T594 K604 A608T587-V591 WeakPolarHBondContact O-CG2 2.91Å; T587-V591 PolarHBondContact O-N 3.06Å; F588-V591 PolarHBondContact O-N 3.16Å; V591-Q593 PolarHBondContact O-N 3.33Å; V591-T594 PolarHBondContact O-N 3.11Å; V591-T594 PolarHBondContact O-OG1 3.48Å; V591-K604 HydrophobicContact CG1-CB 3.8Å; V591-K604 HydrophobicContact CG1-CG 4.4Å; V591-K604 VanDerWaalsContact CG1-O 3.26Å; V591-K604 WeakPolarHBondContact CG1-O 3.3Å; V591-A608 HydrophobicContact CG1-CB 4.05Å
592I78.6Confident72.2Confident17 Ų1764.7 Ų64.79%0.08735%0.345CS..Hα-helixtrans-60.2-42.4176.5-72.1-164.7000112.5F588 T594 G595 V643 F651F588-I592 HydrophobicContact CD1-CD1 4Å; F588-I592 HydrophobicContact CD1-CG1 4.47Å; F588-I592 HydrophobicContact CE1-CD1 3.23Å; F588-I592 HydrophobicContact CE1-CG1 4.11Å; F588-I592 HydrophobicContact CE2-CD1 3.95Å; F588-I592 HydrophobicContact CE2-CG1 4.38Å; F588-I592 HydrophobicContact CZ-CD1 3.22Å; F588-I592 HydrophobicContact CZ-CG1 4.09Å; F588-I592 PolarHBondContact O-N 3.42Å; I592-T594 PolarHBondContact O-N 2.87Å; I592-G595 PolarHBondContact O-N 3.23Å; I592-V643 HydrophobicContact CD1-CG2 4.16Å; I592-F651 HydrophobicContact CD1-CD2 4.05Å; I592-F651 HydrophobicContact CD1-CE2 3.88Å; I592-F651 HydrophobicContact CG1-CE2 4.06Å
593Q74.8Confident71.1Confident152 Ų15265.7 Ų65.771%0.7135%0.353SS*.Hα-helixtrans-66.5-24.8-178.5-78.9174.928.200113.7N589 Q590 V591 G595N589-Q593 WeakPolarHBondContact O-CB 3.37Å; N589-Q593 WeakPolarHBondContact O-CG 3.5Å; N589-Q593 PolarHBondContact O-N 3.46Å; N589-Q593 VanDerWaalsContact O-N 3.08Å; Q590-Q593 PolarHBondContact O-N 2.79Å; V591-Q593 PolarHBondContact O-N 3.33Å; Q593-G595 PolarHBondContact O-N 3.05Å
594T66.4Low70.5Confident50 Ų5065.1 Ų65.131%0.30735%0.35SS..THydrogen-bonded Turntrans-78.1-5.2174.454.70000114Q590 V591 I592 K604Q590-T594 PolarHBondContact O-N 3.05Å; Q590-T594 PolarHBondContact O-OG1 2.88Å; V591-T594 PolarHBondContact O-N 3.11Å; V591-T594 PolarHBondContact O-OG1 3.48Å; I592-T594 PolarHBondContact O-N 2.87Å; T594-K604 PolarHBondContact OG1-NZ 3.19Å; T594-K604 VanDerWaalsContact OG1-NZ 3.13Å
595G55.6Low70Confident23 Ų2365.6 Ų65.624%0.23735%0.354CS..  trans77.2138.3164.600000115.4I592 Q593 D597I592-G595 PolarHBondContact O-N 3.23Å; Q593-G595 PolarHBondContact O-N 3.05Å; G595-D597 PolarHBondContact O-N 2.96Å
596P50.5Low69.6Low73 Ų7368.7 Ų68.747%0.47437%0.372SS..THydrogen-bonded Turntrans-66.7-15.9167.7-18.931.2000114.3E598P596-E598 VanDerWaalsContact C-N 3.3Å; P596-E598 PolarHBondContact O-N 3.41Å
597D48.4Very low69.3Low172 Ų17263.5 Ų63.592%0.9235%0.347SS*.THydrogen-bonded Turntrans-80.2-2.3-176.6-73.7-35.5000114.3G595G595-D597 PolarHBondContact O-N 2.96Å
598E53.4Low69.3Low121 Ų12163.2 Ų63.257%0.56535%0.345SS*.SBendtrans-90.6152.7173.3-68.2-167.916100111.5P596 G600 G601P596-E598 VanDerWaalsContact C-N 3.3Å; P596-E598 PolarHBondContact O-N 3.41Å; E598-G600 PolarHBondContact O-N 2.87Å; E598-G600 VanDerWaalsContact O-N 3.12Å; E598-G601 PolarHBondContact O-N 3.31Å
599E43.2Very low69.3Low206 Ų20665.7 Ų65.796%0.96336%0.357SS*.THydrogen-bonded Turntrans-54.5119.3172.4-76.5178.1160.600109.6
600G55.1Low69.4Low39 Ų3964.2 Ų64.240%0.40235%0.35SS..THydrogen-bonded Turntrans96.815.8-17400000115.6E598 D602E598-G600 PolarHBondContact O-N 2.87Å; E598-G600 VanDerWaalsContact O-N 3.12Å; G600-D602 VanDerWaalsContact C-N 3.28Å; G600-D602 PolarHBondContact O-N 3.07Å
601G61.1Low69.7Low6 Ų660.9 Ų60.96%0.06234%0.335CS..Hα-helixtrans-56.2-36.5175.100000114.6E598 K604 A605E598-G601 PolarHBondContact O-N 3.31Å; G601-K604 WeakPolarHBondContact O-CB 3.49Å; G601-K604 PolarHBondContact O-N 3.37Å; G601-A605 PolarHBondContact O-N 3.47Å
602D64Low70.2Confident126 Ų12660.5 Ų60.567%0.67433%0.333SS*.Hα-helixtrans-66.1-45.2-177.6-61.2-13.3000112.2G600 K604 A605 V606G600-D602 VanDerWaalsContact C-N 3.28Å; G600-D602 PolarHBondContact O-N 3.07Å; D602-K604 VanDerWaalsContact C-N 3.25Å; D602-K604 PolarHBondContact O-N 2.89Å; D602-A605 WeakPolarHBondContact O-CB 3.19Å; D602-A605 PolarHBondContact O-N 3.23Å; D602-A605 VanDerWaalsContact O-N 3.1Å; D602-V606 PolarHBondContact O-N 3.47Å; D602-V606 VanDerWaalsContact O-N 3.09Å
603D66.8Low70.8Confident110 Ų11062.8 Ų62.859%0.58835%0.345SS*.Hα-helixtrans-63.8-34.3178.7-62-20.3000112T607D603-T607 PolarHBondContact O-N 3.29Å; D603-T607 VanDerWaalsContact O-N 3.11Å; D603-T607 PolarHBondContact O-OG1 2.79Å
604K74Confident71.5Confident33 Ų3355.6 Ų55.614%0.14331%0.311CS..Hα-helixtrans-69.6-37.4174.9-74.9-177.3-178.2-178.70111.8V591 T594 G601 D602 T607 A608V591-K604 HydrophobicContact CG1-CB 3.8Å; V591-K604 HydrophobicContact CG1-CG 4.4Å; V591-K604 VanDerWaalsContact CG1-O 3.26Å; V591-K604 WeakPolarHBondContact CG1-O 3.3Å; T594-K604 PolarHBondContact OG1-NZ 3.19Å; T594-K604 VanDerWaalsContact OG1-NZ 3.13Å; G601-K604 WeakPolarHBondContact O-CB 3.49Å; G601-K604 PolarHBondContact O-N 3.37Å; D602-K604 VanDerWaalsContact C-N 3.25Å; D602-K604 PolarHBondContact O-N 2.89Å; K604-T607 PolarHBondContact O-N 3.05Å; K604-A608 WeakPolarHBondContact O-CB 3.39Å; K604-A608 PolarHBondContact O-N 3.44Å
605A79.3Confident72.7Confident12 Ų1253.3 Ų53.310%0.09930%0.297CS..Hα-helixtrans-63-46.217500000111G601 D602 T607 A608 M609 F651G601-A605 PolarHBondContact O-N 3.47Å; D602-A605 WeakPolarHBondContact O-CB 3.19Å; D602-A605 PolarHBondContact O-N 3.23Å; D602-A605 VanDerWaalsContact O-N 3.1Å; A605-T607 VanDerWaalsContact C-N 3.35Å; A605-T607 PolarHBondContact O-N 3.43Å; A605-A608 WeakPolarHBondContact O-CB 3.34Å; A605-A608 PolarHBondContact O-N 2.9Å; A605-A608 VanDerWaalsContact O-N 3.08Å; A605-M609 WeakPolarHBondContact O-CG 3.39Å; A605-M609 PolarHBondContact O-N 3.3Å; A605-F651 HydrophobicContact CB-CE1 4.44Å; A605-F651 HydrophobicContact CB-CZ 4.28Å
606V81.4Confident74.3Confident70 Ų7053.4 Ų53.442%0.42429%0.292SS..Hα-helixtrans-57.6-47.3175.8177.60000111.2D556 D602 A608 M609 G610D556-V606 HydrophobicContact CB-CG1 4.01Å; D602-V606 PolarHBondContact O-N 3.47Å; D602-V606 VanDerWaalsContact O-N 3.09Å; V606-A608 VanDerWaalsContact C-N 3.29Å; V606-A608 PolarHBondContact O-N 2.94Å; V606-M609 WeakPolarHBondContact O-CB 3.49Å; V606-M609 PolarHBondContact O-N 3.22Å; V606-G610 PolarHBondContact O-N 3.1Å
607T82.4Confident76.2Confident4 Ų451.4 Ų51.43%0.02528%0.279CS..Hα-helixtrans-61.3-37.9177-56.80000112.1E554 D603 K604 A605 G610 I611E554-T607 PolarHBondContact O-OG1 3.17Å; D603-T607 PolarHBondContact O-N 3.29Å; D603-T607 VanDerWaalsContact O-N 3.11Å; D603-T607 PolarHBondContact O-OG1 2.79Å; K604-T607 PolarHBondContact O-N 3.05Å; A605-T607 VanDerWaalsContact C-N 3.35Å; A605-T607 PolarHBondContact O-N 3.43Å; T607-G610 PolarHBondContact O-N 3.04Å; T607-I611 HydrophobicContact CG2-CD1 4.28Å; T607-I611 VanDerWaalsContact O-CG1 3.28Å; T607-I611 WeakPolarHBondContact O-CG1 3.26Å; T607-I611 PolarHBondContact O-N 3.42Å
608A85.8Confident78.2Confident0 Ų043.2 Ų43.20%024%0.235CC..Hα-helixtrans-66.5-40.4176.800000112.1F588 V591 K604 A605 V606 I611 L612 F651F588-A608 HydrophobicContact CD2-CB 3.92Å; F588-A608 HydrophobicContact CE2-CB 3.91Å; V591-A608 HydrophobicContact CG1-CB 4.05Å; K604-A608 WeakPolarHBondContact O-CB 3.39Å; K604-A608 PolarHBondContact O-N 3.44Å; A605-A608 WeakPolarHBondContact O-CB 3.34Å; A605-A608 PolarHBondContact O-N 2.9Å; A605-A608 VanDerWaalsContact O-N 3.08Å; V606-A608 VanDerWaalsContact C-N 3.29Å; V606-A608 PolarHBondContact O-N 2.94Å; A608-I611 WeakPolarHBondContact O-CB 3.43Å; A608-I611 PolarHBondContact O-N 3.06Å; A608-L612 WeakPolarHBondContact O-CG 3.23Å; A608-L612 PolarHBondContact O-N 3.32Å; A608-F651 HydrophobicContact CB-CE1 3.64Å; A608-F651 HydrophobicContact CB-CZ 3.61Å
609M87Confident79.8Confident52 Ų5237.8 Ų37.826%0.25621%0.21SC..Hα-helixtrans-60.6-48.5172.1-65.7166.4171.900110.9A605 V606 I611 L612 N613 E650 F651 E654A605-M609 WeakPolarHBondContact O-CG 3.39Å; A605-M609 PolarHBondContact O-N 3.3Å; V606-M609 WeakPolarHBondContact O-CB 3.49Å; V606-M609 PolarHBondContact O-N 3.22Å; M609-I611 PolarHBondContact O-N 2.9Å; M609-L612 PolarHBondContact O-N 3.1Å; M609-N613 PolarHBondContact O-N 3.38Å; M609-E650 HydrophobicContact CE-CB 4.31Å; M609-E650 WeakPolarHBondContact CE-O 3.48Å; M609-F651 HydrophobicContact CE-CD1 4.44Å; M609-F651 HydrophobicContact CE-CE1 4.42Å; M609-F651 HydrophobicContact CG-CD1 3.91Å; M609-F651 HydrophobicContact CG-CE1 3.88Å; M609-E654 WeakPolarHBondContact CG-OE1 3.41Å
610G86.8Confident81.9Confident4 Ų431.2 Ų31.24%0.04119%0.186CC..Hα-helixtrans-56.5-37175.800000113T559 Q563 V606 T607 T614T559-G610 WeakPolarHBondContact OG1-CA 3.44Å; Q563-G610 PolarHBondContact NE2-O 2.89Å; V606-G610 PolarHBondContact O-N 3.1Å; T607-G610 PolarHBondContact O-N 3.04Å; G610-T614 WeakPolarHBondContact O-CB 3.38Å; G610-T614 PolarHBondContact O-N 3.04Å; G610-T614 PolarHBondContact O-OG1 3.11Å
611I89.6Confident83.4Confident0 Ų031.1 Ų31.10%018%0.178CC..Hα-helixtrans-65.7-45173.2-69.7164.4000111.7T559 L584 T587 F588 T607 A608 M609 T614 I615T559-I611 HydrophobicContact CG2-CG1 4.31Å; L584-I611 HydrophobicContact CB-CG2 3.95Å; L584-I611 HydrophobicContact CD2-CG2 4.16Å; T587-I611 HydrophobicContact CG2-CD1 3.72Å; F588-I611 HydrophobicContact CB-CG2 4.01Å; T607-I611 HydrophobicContact CG2-CD1 4.28Å; T607-I611 VanDerWaalsContact O-CG1 3.28Å; T607-I611 WeakPolarHBondContact O-CG1 3.26Å; T607-I611 PolarHBondContact O-N 3.42Å; A608-I611 WeakPolarHBondContact O-CB 3.43Å; A608-I611 PolarHBondContact O-N 3.06Å; M609-I611 PolarHBondContact O-N 2.9Å; I611-T614 WeakPolarHBondContact O-CB 3.3Å; I611-T614 PolarHBondContact O-N 3.28Å; I611-I615 HydrophobicContact CG2-CD1 4.34Å; I611-I615 WeakPolarHBondContact O-CG1 3.45Å; I611-I615 PolarHBondContact O-N 3.47Å
612L90.8Very high84.5Confident1 Ų130.8 Ų30.81%0.00518%0.175CC..Hα-helixtrans-63.1-45.3178.2-65.9178.5000111.3F588 A608 M609 T614 I615 D616 V639 F651 E654 I655 L658F588-L612 HydrophobicContact CD2-CD1 4.49Å; F588-L612 HydrophobicContact CD2-CD2 3.89Å; F588-L612 HydrophobicContact CD2-CG 3.97Å; F588-L612 HydrophobicContact CE1-CD2 4.42Å; F588-L612 HydrophobicContact CE2-CD1 3.6Å; F588-L612 HydrophobicContact CE2-CD2 3.64Å; F588-L612 HydrophobicContact CE2-CG 3.56Å; F588-L612 HydrophobicContact CG-CD2 4.38Å; F588-L612 HydrophobicContact CZ-CD1 3.93Å; F588-L612 HydrophobicContact CZ-CD2 3.89Å; F588-L612 HydrophobicContact CZ-CG 4.17Å; A608-L612 WeakPolarHBondContact O-CG 3.23Å; A608-L612 PolarHBondContact O-N 3.32Å; M609-L612 PolarHBondContact O-N 3.1Å; L612-T614 PolarHBondContact O-N 3.35Å; L612-I615 WeakPolarHBondContact O-CA 3.43Å; L612-I615 WeakPolarHBondContact O-CB 3.49Å; L612-I615 PolarHBondContact O-N 3.08Å; L612-D616 PolarHBondContact O-N 3.49Å; L612-V639 HydrophobicContact CD2-CG1 3.45Å; L612-V639 VanDerWaalsContact CD2-CG1 3.45Å; L612-F651 HydrophobicContact CD1-CB 4.09Å; L612-F651 HydrophobicContact CD1-CD1 4.29Å; L612-F651 HydrophobicContact CD1-CG 4.37Å; L612-E654 HydrophobicContact CB-CB 3.81Å; L612-E654 HydrophobicContact CB-CG 4.32Å; L612-E654 HydrophobicContact CD1-CB 3.57Å; L612-E654 HydrophobicContact CD1-CG 4.3Å; L612-E654 HydrophobicContact CG-CB 4.34Å; L612-I655 HydrophobicContact CD1-CG2 4.3Å; L612-L658 HydrophobicContact CB-CD1 4.26Å; L612-L658 HydrophobicContact CD2-CD1 3.81Å
613N90.6Very high85.3Confident65 Ų6528.6 Ų28.635%0.34816%0.16SC..Hα-helixtrans-61.6-33.6175.6-68.4-14.5000112.1M609 D616 T617M609-N613 PolarHBondContact O-N 3.38Å; N613-D616 PolarHBondContact O-N 3.11Å; N613-T617 WeakPolarHBondContact O-CB 3.49Å; N613-T617 PolarHBondContact O-N 3.43Å; N613-T617 PolarHBondContact O-OG1 3.21Å
614T89.6Confident85.9Confident1 Ų130.2 Ų30.21%0.00617%0.169CC..Hα-helixtrans-67.7-38173-540000112.3I562 Q563 I566 L584 G610 I611 L612 D616 L618I562-T614 HydrophobicContact CB-CG2 4.17Å; I562-T614 HydrophobicContact CG2-CG2 3.51Å; Q563-T614 HydrophobicContact CG-CG2 4.12Å; Q563-T614 WeakPolarHBondContact CG-OG1 3.3Å; Q563-T614 PolarHBondContact NE2-OG1 3.19Å; I566-T614 HydrophobicContact CD1-CG2 3.89Å; L584-T614 HydrophobicContact CD1-CG2 3.75Å; L584-T614 HydrophobicContact CD2-CG2 4.39Å; G610-T614 WeakPolarHBondContact O-CB 3.38Å; G610-T614 PolarHBondContact O-N 3.04Å; G610-T614 PolarHBondContact O-OG1 3.11Å; I611-T614 WeakPolarHBondContact O-CB 3.3Å; I611-T614 PolarHBondContact O-N 3.28Å; L612-T614 PolarHBondContact O-N 3.35Å; T614-D616 VanDerWaalsContact C-N 3.33Å; T614-L618 WeakPolarHBondContact O-CB 3.47Å; T614-L618 PolarHBondContact O-N 2.59Å; T614-L618 VanDerWaalsContact O-N 3.12Å
615I91.7Very high86.4Confident1 Ų133 Ų331%0.00518%0.183CC..Hα-helixtrans-65.7-40.6173.5-65.3170.9000109.8T581 L584 I611 L612 L618 L619 L658T581-I615 HydrophobicContact CG2-CG1 4.4Å; T581-I615 HydrophobicContact CG2-CG2 4Å; L584-I615 HydrophobicContact CB-CD1 4Å; L584-I615 HydrophobicContact CB-CG1 3.86Å; L584-I615 HydrophobicContact CD1-CG1 3.87Å; I611-I615 HydrophobicContact CG2-CD1 4.34Å; I611-I615 WeakPolarHBondContact O-CG1 3.45Å; I611-I615 PolarHBondContact O-N 3.47Å; L612-I615 WeakPolarHBondContact O-CA 3.43Å; L612-I615 WeakPolarHBondContact O-CB 3.49Å; L612-I615 PolarHBondContact O-N 3.08Å; I615-L618 WeakPolarHBondContact O-CB 3.34Å; I615-L618 PolarHBondContact O-N 3.1Å; I615-L619 HydrophobicContact CG2-CD1 4.43Å; I615-L619 WeakPolarHBondContact O-CG 3.46Å; I615-L619 PolarHBondContact O-N 3.35Å; I615-L658 HydrophobicContact CB-CD2 4.1Å; I615-L658 HydrophobicContact CG2-CD2 3.74Å
616D89.9Confident86.4Confident26 Ų2638.8 Ų38.814%0.13921%0.205CC..Hα-helixtrans-65-48.1179.9-159.536.1000111.5L612 N613 T614 L618 L619 S620 S657 L658 S661L612-D616 PolarHBondContact O-N 3.49Å; N613-D616 PolarHBondContact O-N 3.11Å; T614-D616 VanDerWaalsContact C-N 3.33Å; D616-L618 PolarHBondContact O-N 2.9Å; D616-L619 WeakPolarHBondContact O-CA 3.43Å; D616-L619 WeakPolarHBondContact O-CB 3.32Å; D616-L619 PolarHBondContact O-N 3.11Å; D616-S620 PolarHBondContact O-N 3.37Å; D616-S620 PolarHBondContact O-OG 3.03Å; D616-S657 PolarHBondContact OD2-OG 2.9Å; D616-L658 HydrophobicContact CB-CD2 3.61Å; D616-L658 HydrophobicContact CB-CG 4.4Å; D616-S661 VanDerWaalsContact OD1-CB 3.3Å; D616-S661 WeakPolarHBondContact OD1-CB 3.28Å; D616-S661 PolarHBondContact OD1-OG 3.2Å
617T90Very high86.6Confident30 Ų3043.1 Ų43.118%0.18422%0.221CC..Hα-helixtrans-53.8-41.4173-56.20000111.6Q563 I566 C567 N613 S620 V621Q563-T617 HydrophobicContact CB-CG2 4.39Å; I566-T617 HydrophobicContact CG2-CG2 4.26Å; C567-T617 VanDerWaalsContact SG-CG2 3.58Å; N613-T617 WeakPolarHBondContact O-CB 3.49Å; N613-T617 PolarHBondContact O-N 3.43Å; N613-T617 PolarHBondContact O-OG1 3.21Å; T617-S620 PolarHBondContact O-N 3.37Å; T617-V621 WeakPolarHBondContact O-CG2 3.37Å; T617-V621 PolarHBondContact O-N 2.97Å; T617-V621 VanDerWaalsContact O-N 3.12Å
618L88.9Confident86.7Confident0 Ų044.5 Ų44.50%023%0.228CC..Hα-helixtrans-67.1-36.4177.4-174.761.7000112.2I566 V573 A577 M580 T581 T614 I615 D616 V621 V622I566-L618 HydrophobicContact CD1-CB 4.29Å; I566-L618 HydrophobicContact CD1-CD1 4.33Å; I566-L618 HydrophobicContact CG2-CD1 4.01Å; V573-L618 HydrophobicContact CG1-CD1 3.57Å; A577-L618 HydrophobicContact CB-CD1 3.88Å; A577-L618 HydrophobicContact CB-CD2 4.17Å; A577-L618 HydrophobicContact CB-CG 4.19Å; M580-L618 HydrophobicContact CB-CD2 4.25Å; T581-L618 WeakPolarHBondContact OG1-CD2 3.36Å; T614-L618 WeakPolarHBondContact O-CB 3.47Å; T614-L618 PolarHBondContact O-N 2.59Å; T614-L618 VanDerWaalsContact O-N 3.12Å; I615-L618 WeakPolarHBondContact O-CB 3.34Å; I615-L618 PolarHBondContact O-N 3.1Å; D616-L618 PolarHBondContact O-N 2.9Å; L618-V621 PolarHBondContact O-N 2.93Å; L618-V622 VanDerWaalsContact O-CG2 3.31Å; L618-V622 WeakPolarHBondContact O-CG2 3.36Å; L618-V622 PolarHBondContact O-N 2.88Å
619L88.4Confident86.6Confident8 Ų845.9 Ų45.94%0.04224%0.236CC..Hα-helixtrans-65.5-44175-71.4172.7000111.5I615 D616 V621 V622 E623 L632 L658 L662I615-L619 HydrophobicContact CG2-CD1 4.43Å; I615-L619 WeakPolarHBondContact O-CG 3.46Å; I615-L619 PolarHBondContact O-N 3.35Å; D616-L619 WeakPolarHBondContact O-CA 3.43Å; D616-L619 WeakPolarHBondContact O-CB 3.32Å; D616-L619 PolarHBondContact O-N 3.11Å; L619-V621 VanDerWaalsContact C-N 3.29Å; L619-V621 PolarHBondContact O-N 2.88Å; L619-V622 CarbonylContact O-C 3.58Å; L619-V622 PolarHBondContact O-N 3.26Å; L619-E623 PolarHBondContact O-N 2.93Å; L619-E623 VanDerWaalsContact O-N 3.13Å; L619-L632 HydrophobicContact CD2-CB 3.87Å; L619-L632 HydrophobicContact CD2-CD1 3.8Å; L619-L658 HydrophobicContact CD1-CD2 3.74Å; L619-L662 HydrophobicContact CD1-CD2 4Å; L619-L662 HydrophobicContact CD1-CG 3.98Å; L619-L662 HydrophobicContact CD2-CD2 3.72Å
620S87Confident86.6Confident67 Ų6750.2 Ų50.247%0.46926%0.256SS..Hα-helixtrans-60.3-39.2175.9-490000111.8D616 T617 V622 E623D616-S620 PolarHBondContact O-N 3.37Å; D616-S620 PolarHBondContact O-OG 3.03Å; T617-S620 PolarHBondContact O-N 3.37Å; S620-V622 PolarHBondContact O-N 3.4Å; S620-E623 WeakPolarHBondContact O-CB 3.39Å; S620-E623 PolarHBondContact O-N 3.49Å
621V86.4Confident86.6Confident37 Ų3755.4 Ų55.422%0.22428%0.279CS..Hα-helixtrans-70.2-30.7178168.80000113.1I566 S570 T617 L618 L619I566-V621 HydrophobicContact CG2-CB 4.16Å; I566-V621 HydrophobicContact CG2-CG1 4.4Å; I566-V621 HydrophobicContact CG2-CG2 3.84Å; S570-V621 VanDerWaalsContact CB-CG1 3.47Å; T617-V621 WeakPolarHBondContact O-CG2 3.37Å; T617-V621 PolarHBondContact O-N 2.97Å; T617-V621 VanDerWaalsContact O-N 3.12Å; L618-V621 PolarHBondContact O-N 2.93Å; L619-V621 VanDerWaalsContact C-N 3.29Å; L619-V621 PolarHBondContact O-N 2.88Å
622V85.1Confident86.5Confident0 Ų055.4 Ų55.40%028%0.279CS..THydrogen-bonded Turntrans-96.711179.7-58.90000113.7A577 L618 L619 S620 D624 H625 I628 T629 L632A577-V622 HydrophobicContact CB-CG1 3.99Å; L618-V622 VanDerWaalsContact O-CG2 3.31Å; L618-V622 WeakPolarHBondContact O-CG2 3.36Å; L618-V622 PolarHBondContact O-N 2.88Å; L619-V622 CarbonylContact O-C 3.58Å; L619-V622 PolarHBondContact O-N 3.26Å; S620-V622 PolarHBondContact O-N 3.4Å; V622-D624 VanDerWaalsContact C-N 3.26Å; V622-D624 PolarHBondContact O-N 3.03Å; V622-H625 PolarHBondContact O-N 3.42Å; V622-I628 HydrophobicContact CB-CG2 4.32Å; V622-I628 HydrophobicContact CG1-CG2 4.32Å; V622-I628 HydrophobicContact CG2-CG2 4.38Å; V622-T629 PolarHBondContact O-OG1 3.25Å; V622-L632 HydrophobicContact CG2-CD1 3.57Å
623E79.1Confident86.5Confident79 Ų7956.1 Ų56.137%0.36928%0.283SS..THydrogen-bonded Turntrans-56.8-39.4-170.6-147.9-156.6130.500112.3L619 S620 H625 Q665L619-E623 PolarHBondContact O-N 2.93Å; L619-E623 VanDerWaalsContact O-N 3.13Å; S620-E623 WeakPolarHBondContact O-CB 3.39Å; S620-E623 PolarHBondContact O-N 3.49Å; E623-H625 PolarHBondContact O-N 3.11Å; E623-Q665 HydrophobicContact CG-CG 4.42Å; E623-Q665 PolarHBondContact O-NE2 3.27Å; E623-Q665 PolarHBondContact O-OE1 2.68Å; E623-Q665 WeakPolarHBondContact OE1-CG 3.34Å; E623-Q665 PolarHBondContact OE1-NE2 3.08Å
624D79.9Confident86.4Confident144 Ų14454.3 Ų54.377%0.7728%0.279SS*.THydrogen-bonded Turntrans-69.6-14.1178.5-71.9-35.8000114.3V622 K626V622-D624 VanDerWaalsContact C-N 3.26Å; V622-D624 PolarHBondContact O-N 3.03Å; D624-K626 PolarHBondContact O-N 2.85Å
625H83.8Confident86.4Confident93 Ų9355 Ų5543%0.43128%0.282SS..  trans-102.873.1-173.2-67.7-63.9000113.1V622 E623 E627 I628 T629V622-H625 PolarHBondContact O-N 3.42Å; E623-H625 PolarHBondContact O-N 3.11Å; H625-E627 VanDerWaalsContact C-N 3.27Å; H625-E627 PolarHBondContact O-N 3.38Å; H625-I628 HydrophobicContact CB-CB 4.19Å; H625-I628 HydrophobicContact CB-CD1 4.06Å; H625-I628 HydrophobicContact CB-CG1 4.33Å; H625-I628 WeakPolarHBondContact O-CA 3.46Å; H625-I628 WeakPolarHBondContact O-CB 3.49Å; H625-I628 PolarHBondContact O-N 3.32Å; H625-T629 PolarHBondContact O-N 2.72Å; H625-T629 VanDerWaalsContact O-N 3.07Å; H625-T629 PolarHBondContact O-OG1 3.48Å
626K81.3Confident86.4Confident132 Ų13255 Ų5557%0.57428%0.282SS*.Hα-helixtrans-44.4-40.1-177.2-60.8-168.2177.1-164.30116.4D624 I628 Q630D624-K626 PolarHBondContact O-N 2.85Å; K626-I628 VanDerWaalsContact C-N 3.32Å; K626-I628 PolarHBondContact O-N 2.81Å; K626-Q630 WeakPolarHBondContact O-CB 3.37Å; K626-Q630 PolarHBondContact O-N 3.4Å; K626-Q630 VanDerWaalsContact O-N 3.14Å
627E84Confident86.4Confident162 Ų16255.4 Ų55.476%0.75728%0.284SS*.Hα-helixtrans-67.6-31.9179.5-68.1-172.617700113.2H625 Q631H625-E627 VanDerWaalsContact C-N 3.27Å; H625-E627 PolarHBondContact O-N 3.38Å; E627-Q631 PolarHBondContact O-NE2 2.96Å
628I85.2Confident86.4Confident33 Ų3360.3 Ų60.317%0.16931%0.305CS..Hα-helixtrans-81-46.2178.9-63.4175.5000108.9T574 A577 V578 V622 H625 K626 Q630 Q631 L632T574-I628 HydrophobicContact CG2-CD1 3.36Å; A577-I628 HydrophobicContact CB-CG2 4.3Å; V578-I628 HydrophobicContact CG2-CG2 4.24Å; V622-I628 HydrophobicContact CB-CG2 4.32Å; V622-I628 HydrophobicContact CG1-CG2 4.32Å; V622-I628 HydrophobicContact CG2-CG2 4.38Å; H625-I628 HydrophobicContact CB-CB 4.19Å; H625-I628 HydrophobicContact CB-CD1 4.06Å; H625-I628 HydrophobicContact CB-CG1 4.33Å; H625-I628 WeakPolarHBondContact O-CA 3.46Å; H625-I628 WeakPolarHBondContact O-CB 3.49Å; H625-I628 PolarHBondContact O-N 3.32Å; K626-I628 VanDerWaalsContact C-N 3.32Å; K626-I628 PolarHBondContact O-N 2.81Å; I628-Q630 PolarHBondContact O-N 3.25Å; I628-Q631 WeakPolarHBondContact O-CA 3.37Å; I628-Q631 WeakPolarHBondContact O-CB 3.48Å; I628-Q631 PolarHBondContact O-N 2.9Å; I628-L632 HydrophobicContact CG2-CD1 4.14Å; I628-L632 HydrophobicContact CG2-CG 4.19Å; I628-L632 WeakPolarHBondContact O-CG 3.26Å; I628-L632 PolarHBondContact O-N 3.28Å
629T84.6Confident86.4Confident28 Ų2860.3 Ų60.317%0.17231%0.305CS..Hα-helixtrans-52.2-43.6175.7-42.40000111.4V622 H625 Q631 L632 E633 L662V622-T629 PolarHBondContact O-OG1 3.25Å; H625-T629 PolarHBondContact O-N 2.72Å; H625-T629 VanDerWaalsContact O-N 3.07Å; H625-T629 PolarHBondContact O-OG1 3.48Å; T629-Q631 VanDerWaalsContact C-N 3.31Å; T629-Q631 PolarHBondContact O-N 3.46Å; T629-L632 PolarHBondContact O-N 3.04Å; T629-E633 WeakPolarHBondContact O-CB 3.48Å; T629-E633 PolarHBondContact O-N 3.23Å; T629-L662 HydrophobicContact CG2-CD2 4.39Å
630Q85Confident86.5Confident144 Ų14460 Ų6067%0.67330%0.304SS*.Hα-helixtrans-63.9-31.7177-171.5172.933.900113.8K626 I628K626-Q630 WeakPolarHBondContact O-CB 3.37Å; K626-Q630 PolarHBondContact O-N 3.4Å; K626-Q630 VanDerWaalsContact O-N 3.14Å; I628-Q630 PolarHBondContact O-N 3.25Å
631Q87.6Confident86.5Confident112 Ų11257.5 Ų57.552%0.52329%0.288SS..Hα-helixtrans-76.1-36.7175.2-68.9176.444.700111.7V578 E627 I628 T629V578-Q631 HydrophobicContact CG2-CB 4.1Å; E627-Q631 PolarHBondContact O-NE2 2.96Å; I628-Q631 WeakPolarHBondContact O-CA 3.37Å; I628-Q631 WeakPolarHBondContact O-CB 3.48Å; I628-Q631 PolarHBondContact O-N 2.9Å; T629-Q631 VanDerWaalsContact C-N 3.31Å; T629-Q631 PolarHBondContact O-N 3.46Å
632L88.6Confident86.6Confident0 Ų057.2 Ų57.20%029%0.286CS..Hα-helixtrans-69.1-37.7176.7-63.9-172.5000112.2A577 V578 T581 L619 V622 I628 T629 G634 I635 C636A577-L632 HydrophobicContact CB-CD1 4.49Å; V578-L632 HydrophobicContact CB-CD2 4.31Å; V578-L632 HydrophobicContact CG2-CD2 4Å; T581-L632 HydrophobicContact CG2-CD2 4.14Å; T581-L632 VanDerWaalsContact OG1-CD2 3.24Å; T581-L632 WeakPolarHBondContact OG1-CD2 3.2Å; L619-L632 HydrophobicContact CD2-CB 3.87Å; L619-L632 HydrophobicContact CD2-CD1 3.8Å; V622-L632 HydrophobicContact CG2-CD1 3.57Å; I628-L632 HydrophobicContact CG2-CD1 4.14Å; I628-L632 HydrophobicContact CG2-CG 4.19Å; I628-L632 WeakPolarHBondContact O-CG 3.26Å; I628-L632 PolarHBondContact O-N 3.28Å; T629-L632 PolarHBondContact O-N 3.04Å; L632-G634 VanDerWaalsContact C-N 3.26Å; L632-G634 PolarHBondContact O-N 3.46Å; L632-I635 HydrophobicContact CD2-CD1 4.3Å; L632-I635 WeakPolarHBondContact O-CB 3.28Å; L632-I635 PolarHBondContact O-N 3.01Å; L632-C636 PolarHBondContact O-N 3.36Å; L632-C636 PolarHBondContact O-SG 2.82Å
633E89.1Confident86.7Confident17 Ų1757.2 Ų57.28%0.07929%0.286CS..Hα-helixtrans-50.6-46.7176.9-170.9-166.5125.600111.3T629 I635 C636 L637 L662 S668 M671T629-E633 WeakPolarHBondContact O-CB 3.48Å; T629-E633 PolarHBondContact O-N 3.23Å; E633-I635 VanDerWaalsContact C-N 3.25Å; E633-I635 PolarHBondContact O-N 2.99Å; E633-C636 PolarHBondContact O-N 2.93Å; E633-L637 HydrophobicContact CG-CD1 4.07Å; E633-L637 HydrophobicContact CG-CG 4.45Å; E633-L637 WeakPolarHBondContact O-CB 3.49Å; E633-L637 VanDerWaalsContact O-CG 3.31Å; E633-L637 WeakPolarHBondContact O-CG 3.43Å; E633-L637 PolarHBondContact O-N 2.7Å; E633-L662 HydrophobicContact CB-CD2 4.16Å; E633-L662 HydrophobicContact CG-CD1 4.49Å; E633-L662 HydrophobicContact CG-CD2 4.41Å; E633-S668 VanDerWaalsContact CD-OG 3.28Å; E633-S668 VanDerWaalsContact OE1-CB 3.24Å; E633-S668 WeakPolarHBondContact OE1-CB 3.33Å; E633-S668 PolarHBondContact OE1-OG 3.21Å; E633-S668 VanDerWaalsContact OE2-CB 3.32Å; E633-S668 WeakPolarHBondContact OE2-CB 3.44Å; E633-S668 PolarHBondContact OE2-OG 3.31Å; E633-M671 HydrophobicContact CG-CG 4.27Å; E633-M671 HydrophobicContact CG-SD 4Å
634G88.7Confident87Confident26 Ų2654 Ų5427%0.26827%0.272SS..Hα-helixtrans-64.6-26.2179.600000114.4L632 Q638L632-G634 VanDerWaalsContact C-N 3.26Å; L632-G634 PolarHBondContact O-N 3.46Å; G634-Q638 WeakPolarHBondContact O-CG 3.3Å
635I90.6Very high87.2Confident16 Ų1654.1 Ų54.18%0.08227%0.268CS..Hα-helixtrans-82.6-47176-59157.8000109.6V578 T581 Q582 A585 L632 E633 L637 Q638 V639V578-I635 HydrophobicContact CG1-CD1 4.19Å; T581-I635 HydrophobicContact CG2-CB 4.23Å; T581-I635 HydrophobicContact CG2-CD1 4.4Å; T581-I635 HydrophobicContact CG2-CG2 3.88Å; Q582-I635 HydrophobicContact CG-CD1 3.49Å; Q582-I635 VanDerWaalsContact CG-CD1 3.49Å; Q582-I635 HydrophobicContact CG-CG1 4.11Å; A585-I635 HydrophobicContact CB-CG2 3.63Å; L632-I635 HydrophobicContact CD2-CD1 4.3Å; L632-I635 WeakPolarHBondContact O-CB 3.28Å; L632-I635 PolarHBondContact O-N 3.01Å; E633-I635 VanDerWaalsContact C-N 3.25Å; E633-I635 PolarHBondContact O-N 2.99Å; I635-L637 VanDerWaalsContact C-N 3.31Å; I635-L637 PolarHBondContact O-N 2.89Å; I635-Q638 WeakPolarHBondContact O-CB 3.26Å; I635-Q638 PolarHBondContact O-N 3.36Å; I635-V639 PolarHBondContact O-N 3.23Å
636C91.6Very high87.1Confident1 Ų154.6 Ų54.61%0.00727%0.27CS..Hα-helixtrans-62.2-39.1-179.9-59.60000111.4L632 E633 Q638 V639 I640 L662L632-C636 PolarHBondContact O-N 3.36Å; L632-C636 PolarHBondContact O-SG 2.82Å; E633-C636 PolarHBondContact O-N 2.93Å; C636-Q638 PolarHBondContact O-N 3Å; C636-V639 WeakPolarHBondContact O-CA 3.43Å; C636-V639 WeakPolarHBondContact O-CB 3.45Å; C636-V639 PolarHBondContact O-N 2.97Å; C636-I640 VanDerWaalsContact O-CG1 3.28Å; C636-I640 WeakPolarHBondContact O-CG1 3.41Å; C636-I640 PolarHBondContact O-N 3.16Å; C636-L662 HydrophobicContact CB-CD1 3.67Å
637L89.6Confident87.1Confident34 Ų3451.8 Ų51.818%0.17826%0.259CS..Hα-helixtrans-60.2-31174.1-79.6173.1000113.4E633 I635 G641 Q670 M671E633-L637 HydrophobicContact CG-CD1 4.07Å; E633-L637 HydrophobicContact CG-CG 4.45Å; E633-L637 WeakPolarHBondContact O-CB 3.49Å; E633-L637 VanDerWaalsContact O-CG 3.31Å; E633-L637 WeakPolarHBondContact O-CG 3.43Å; E633-L637 PolarHBondContact O-N 2.7Å; I635-L637 VanDerWaalsContact C-N 3.31Å; I635-L637 PolarHBondContact O-N 2.89Å; L637-G641 WeakPolarHBondContact O-CA 3.3Å; L637-G641 PolarHBondContact O-N 3.46Å; L637-Q670 HydrophobicContact CD1-CB 3.51Å; L637-Q670 HydrophobicContact CD1-CG 4.5Å; L637-M671 HydrophobicContact CD1-SD 4.26Å; L637-M671 HydrophobicContact CD2-SD 3.68Å; L637-M671 HydrophobicContact CG-SD 4.06Å
638Q89.1Confident87Confident133 Ų13345.2 Ų45.262%0.62123%0.23SC*.Hα-helixtrans-69.7-39.8174-66.9175.44.600111.3G634 I635 C636 T642G634-Q638 WeakPolarHBondContact O-CG 3.3Å; I635-Q638 WeakPolarHBondContact O-CB 3.26Å; I635-Q638 PolarHBondContact O-N 3.36Å; C636-Q638 PolarHBondContact O-N 3Å; Q638-T642 WeakPolarHBondContact O-CB 3.49Å; Q638-T642 PolarHBondContact O-N 3.48Å; Q638-T642 PolarHBondContact O-OG1 3.44Å
639V90.2Very high86.8Confident1 Ų146.9 Ų46.91%0.00624%0.239CC..Hα-helixtrans-65-55.2176.8175.10000110.1A585 F588 L612 I635 C636 G641 T642 V643A585-V639 HydrophobicContact CB-CG2 3.57Å; F588-V639 HydrophobicContact CD1-CG1 3.71Å; F588-V639 HydrophobicContact CE1-CG1 3.55Å; F588-V639 HydrophobicContact CG-CG1 4.38Å; F588-V639 HydrophobicContact CZ-CG1 4.13Å; L612-V639 HydrophobicContact CD2-CG1 3.45Å; L612-V639 VanDerWaalsContact CD2-CG1 3.45Å; I635-V639 PolarHBondContact O-N 3.23Å; C636-V639 WeakPolarHBondContact O-CA 3.43Å; C636-V639 WeakPolarHBondContact O-CB 3.45Å; C636-V639 PolarHBondContact O-N 2.97Å; V639-G641 VanDerWaalsContact C-N 3.32Å; V639-G641 PolarHBondContact O-N 2.97Å; V639-T642 WeakPolarHBondContact O-CB 3.49Å; V639-T642 PolarHBondContact O-N 3.12Å; V639-T642 VanDerWaalsContact O-N 3.08Å; V639-V643 PolarHBondContact O-N 3.45Å; V639-V643 VanDerWaalsContact O-N 3.16Å
640I90.5Very high86.7Confident2 Ų250 Ų501%0.0125%0.251CS..Hα-helixtrans-55.1-48.6176.9-63165.3000110.3C636 T642 V643 L644 I655 L658 A659 L662 L674C636-I640 VanDerWaalsContact O-CG1 3.28Å; C636-I640 WeakPolarHBondContact O-CG1 3.41Å; C636-I640 PolarHBondContact O-N 3.16Å; I640-T642 VanDerWaalsContact C-N 3.28Å; I640-T642 PolarHBondContact O-N 3.45Å; I640-V643 PolarHBondContact O-N 3.07Å; I640-L644 HydrophobicContact CG2-CD1 3.83Å; I640-L644 HydrophobicContact CG2-CG 4.29Å; I640-L644 WeakPolarHBondContact O-CG 3.35Å; I640-L644 PolarHBondContact O-N 3.32Å; I640-I655 HydrophobicContact CG1-CB 4.09Å; I640-I655 HydrophobicContact CG1-CG2 4.41Å; I640-I655 HydrophobicContact CG2-CB 4.36Å; I640-I655 HydrophobicContact CG2-CD1 4.39Å; I640-L658 HydrophobicContact CD1-CB 4.39Å; I640-A659 HydrophobicContact CD1-CB 4.21Å; I640-L662 HydrophobicContact CD1-CD1 4.46Å; I640-L674 HydrophobicContact CG2-CD1 3.66Å; I640-L674 HydrophobicContact CG2-CD2 4.23Å
641G87.6Confident86.9Confident13 Ų1343.4 Ų43.413%0.13422%0.22CC..Hα-helixtrans-62.4-33.3179.700000113.5L637 V639 Q645L637-G641 WeakPolarHBondContact O-CA 3.3Å; L637-G641 PolarHBondContact O-N 3.46Å; V639-G641 VanDerWaalsContact C-N 3.32Å; V639-G641 PolarHBondContact O-N 2.97Å; G641-Q645 WeakPolarHBondContact O-CB 3.11Å; G641-Q645 WeakPolarHBondContact O-CG 3.18Å; G641-Q645 PolarHBondContact O-N 3.26Å
642T86.8Confident86.9Confident31 Ų3138.1 Ų38.119%0.1920%0.196CC..Hα-helixtrans-68.4-45.4177.4-59.60000111Q638 V639 I640 Q645 Q646Q638-T642 WeakPolarHBondContact O-CB 3.49Å; Q638-T642 PolarHBondContact O-N 3.48Å; Q638-T642 PolarHBondContact O-OG1 3.44Å; V639-T642 WeakPolarHBondContact O-CB 3.49Å; V639-T642 PolarHBondContact O-N 3.12Å; V639-T642 VanDerWaalsContact O-N 3.08Å; I640-T642 VanDerWaalsContact C-N 3.28Å; I640-T642 PolarHBondContact O-N 3.45Å; T642-Q645 PolarHBondContact O-N 3.45Å; T642-Q646 WeakPolarHBondContact O-CB 3.4Å; T642-Q646 WeakPolarHBondContact O-CG 3.28Å; T642-Q646 PolarHBondContact O-N 2.86Å
643V87.4Confident87Confident0 Ų043.7 Ų43.70%022%0.222CC..Hα-helixtrans-63.6-48.4178.2175.20000111.2F588 I592 V639 I640 Q645 Q646 H647 V648 F651 Y652 I655F588-V643 HydrophobicContact CE1-CG2 3.77Å; F588-V643 HydrophobicContact CZ-CG2 3.55Å; I592-V643 HydrophobicContact CD1-CG2 4.16Å; V639-V643 PolarHBondContact O-N 3.45Å; V639-V643 VanDerWaalsContact O-N 3.16Å; I640-V643 PolarHBondContact O-N 3.07Å; V643-Q645 PolarHBondContact O-N 3.38Å; V643-Q646 PolarHBondContact O-N 3.15Å; V643-H647 PolarHBondContact O-N 3.24Å; V643-V648 HydrophobicContact CG1-CB 4.37Å; V643-V648 WeakPolarHBondContact CG1-O 3.43Å; V643-V648 PolarHBondContact O-N 3.12Å; V643-F651 HydrophobicContact CG1-CB 3.85Å; V643-F651 HydrophobicContact CG2-CB 4.27Å; V643-F651 HydrophobicContact CG2-CD2 4.44Å; V643-Y652 HydrophobicContact CG1-CD1 3.98Å; V643-Y652 HydrophobicContact CG1-CE1 4.05Å; V643-I655 HydrophobicContact CB-CD1 4.13Å; V643-I655 HydrophobicContact CB-CG2 4.03Å; V643-I655 HydrophobicContact CG1-CD1 3.76Å; V643-I655 HydrophobicContact CG1-CG2 4.14Å; V643-I655 HydrophobicContact CG2-CG2 3.91Å
644L85.8Confident87Confident11 Ų1144 Ų446%0.05822%0.223CC..Hα-helixtrans-64.7-37.5180-65.8179.9000112.5I640 Y652 I655 L674 L677 V681I640-L644 HydrophobicContact CG2-CD1 3.83Å; I640-L644 HydrophobicContact CG2-CG 4.29Å; I640-L644 WeakPolarHBondContact O-CG 3.35Å; I640-L644 PolarHBondContact O-N 3.32Å; L644-Y652 HydrophobicContact CD2-CE1 4.2Å; L644-I655 HydrophobicContact CD1-CD1 4.46Å; L644-I655 HydrophobicContact CD2-CD1 3.32Å; L644-I655 HydrophobicContact CG-CD1 3.65Å; L644-L674 HydrophobicContact CD1-CD1 3.6Å; L644-L677 HydrophobicContact CD1-CB 4.29Å; L644-V681 HydrophobicContact CB-CG2 4.27Å; L644-V681 HydrophobicContact CD2-CB 4.43Å; L644-V681 HydrophobicContact CD2-CG1 4.28Å; L644-V681 HydrophobicContact CD2-CG2 3.82Å
645Q83.8Confident87.2Confident148 Ų14842.8 Ų42.869%0.69221%0.211SC*.Hα-helixtrans-75-30.2179-74.417314.600113.5G641 T642 V643G641-Q645 WeakPolarHBondContact O-CB 3.11Å; G641-Q645 WeakPolarHBondContact O-CG 3.18Å; G641-Q645 PolarHBondContact O-N 3.26Å; T642-Q645 PolarHBondContact O-N 3.45Å; V643-Q645 PolarHBondContact O-N 3.38Å
646Q82.4Confident87.2Confident103 Ų10342.4 Ų42.448%0.48121%0.209SC..Hα-helixtrans-88.2-5.8178.5-68.5-176.614.100113T642 V643 V648T642-Q646 WeakPolarHBondContact O-CB 3.4Å; T642-Q646 WeakPolarHBondContact O-CG 3.28Å; T642-Q646 PolarHBondContact O-N 2.86Å; V643-Q646 PolarHBondContact O-N 3.15Å; Q646-V648 VanDerWaalsContact C-N 3.35Å; Q646-V648 HydrophobicContact CB-CG2 3.77Å; Q646-V648 PolarHBondContact O-N 3.5Å
647H81.1Confident87.2Confident72 Ų7244.6 Ų44.633%0.33322%0.224SC..THydrogen-bonded Turntrans55.645.4-177.4-64.8-89.5000113.1V643 L649 Q684 D685V643-H647 PolarHBondContact O-N 3.24Å; H647-L649 PolarHBondContact O-N 3.03Å; H647-Q684 PolarHBondContact CE1-OE1 3.25Å; H647-D685 IonicContact CG-OD2 3.45Å; H647-D685 IonicContact ND1-OD1 2.99Å; H647-D685 PolarHBondContact ND1-OD1 2.87Å; H647-D685 IonicContact ND1-OD2 3.06Å; H647-D685 PolarHBondContact ND1-OD2 3.32Å
648V82.4Confident87.2Confident24 Ų2443 Ų4315%0.14522%0.215CC..  trans-88.291.3177.4-166.50000109.3V643 Q646 E650 F651 Y652V643-V648 HydrophobicContact CG1-CB 4.37Å; V643-V648 WeakPolarHBondContact CG1-O 3.43Å; V643-V648 PolarHBondContact O-N 3.12Å; Q646-V648 VanDerWaalsContact C-N 3.35Å; Q646-V648 HydrophobicContact CB-CG2 3.77Å; Q646-V648 PolarHBondContact O-N 3.5Å; V648-E650 PolarHBondContact O-N 2.74Å; V648-F651 HydrophobicContact CB-CD2 3.99Å; V648-F651 HydrophobicContact CB-CE2 4.43Å; V648-F651 HydrophobicContact CG1-CD2 3.43Å; V648-F651 VanDerWaalsContact CG1-CD2 3.43Å; V648-F651 HydrophobicContact CG1-CE2 3.51Å; V648-F651 PolarHBondContact O-N 3.36Å; V648-Y652 WeakPolarHBondContact O-CD1 3.22Å; V648-Y652 WeakPolarHBondContact O-CE1 3.35Å
649L81.1Confident87.4Confident68 Ų6836.7 Ų36.736%0.35619%0.186SC..G310 helixtrans-57.7-34.6-173.7-65.4178000113.7H647 F651 Y652 D685 Y689H647-L649 PolarHBondContact O-N 3.03Å; L649-F651 PolarHBondContact O-N 3.08Å; L649-Y652 HydrophobicContact CD2-CD2 3.96Å; L649-Y652 HydrophobicContact CD2-CE2 3.39Å; L649-Y652 PolarHBondContact O-N 3.21Å; L649-D685 HydrophobicContact CD2-CB 3.96Å; L649-D685 WeakPolarHBondContact CD2-OD2 3.29Å; L649-Y689 PolarHBondContact O-OH 3.07Å
650E82.4Confident87.4Confident93 Ų9339.3 Ų39.344%0.43520%0.198SC..G310 helixtrans-59.8-19.5-176-67.2170.7-174.200113.9M609 V648M609-E650 HydrophobicContact CE-CB 4.31Å; M609-E650 WeakPolarHBondContact CE-O 3.48Å; V648-E650 PolarHBondContact O-N 2.74Å
651F87.8Confident87.3Confident7 Ų740.4 Ų40.43%0.03121%0.206CC..G310 helixtrans-110.311-176.8-55-54.6000113.7F588 I592 A605 A608 M609 L612 V643 V648 L649 E654 I655F588-F651 HydrophobicContact CZ-CD2 4.34Å; I592-F651 HydrophobicContact CD1-CD2 4.05Å; I592-F651 HydrophobicContact CD1-CE2 3.88Å; I592-F651 HydrophobicContact CG1-CE2 4.06Å; A605-F651 HydrophobicContact CB-CE1 4.44Å; A605-F651 HydrophobicContact CB-CZ 4.28Å; A608-F651 HydrophobicContact CB-CE1 3.64Å; A608-F651 HydrophobicContact CB-CZ 3.61Å; M609-F651 HydrophobicContact CE-CD1 4.44Å; M609-F651 HydrophobicContact CE-CE1 4.42Å; M609-F651 HydrophobicContact CG-CD1 3.91Å; M609-F651 HydrophobicContact CG-CE1 3.88Å; L612-F651 HydrophobicContact CD1-CB 4.09Å; L612-F651 HydrophobicContact CD1-CD1 4.29Å; L612-F651 HydrophobicContact CD1-CG 4.37Å; V643-F651 HydrophobicContact CG1-CB 3.85Å; V643-F651 HydrophobicContact CG2-CB 4.27Å; V643-F651 HydrophobicContact CG2-CD2 4.44Å; V648-F651 HydrophobicContact CB-CD2 3.99Å; V648-F651 HydrophobicContact CB-CE2 4.43Å; V648-F651 HydrophobicContact CG1-CD2 3.43Å; V648-F651 VanDerWaalsContact CG1-CD2 3.43Å; V648-F651 HydrophobicContact CG1-CE2 3.51Å; V648-F651 PolarHBondContact O-N 3.36Å; L649-F651 PolarHBondContact O-N 3.08Å; F651-E654 VanDerWaalsContact C-OE2 3.26Å; F651-E654 VanDerWaalsContact CA-OE2 3.22Å; F651-E654 WeakPolarHBondContact CA-OE2 3.11Å; F651-I655 WeakPolarHBondContact O-CG1 3.43Å; F651-I655 WeakPolarHBondContact O-CG2 3.31Å; F651-I655 PolarHBondContact O-N 2.9Å; F651-I655 VanDerWaalsContact O-N 3.16Å
652Y88.9Confident87.3Confident1 Ų140.2 Ų40.20%0.00420%0.202CC..Hα-helixtrans-66.9-40.1-173.6-82.712.7000112.5V643 L644 V648 L649 I655 L656 V681 Y689V643-Y652 HydrophobicContact CG1-CD1 3.98Å; V643-Y652 HydrophobicContact CG1-CE1 4.05Å; L644-Y652 HydrophobicContact CD2-CE1 4.2Å; V648-Y652 WeakPolarHBondContact O-CD1 3.22Å; V648-Y652 WeakPolarHBondContact O-CE1 3.35Å; L649-Y652 HydrophobicContact CD2-CD2 3.96Å; L649-Y652 HydrophobicContact CD2-CE2 3.39Å; L649-Y652 PolarHBondContact O-N 3.21Å; Y652-I655 HydrophobicContact CD1-CD1 4.11Å; Y652-I655 VanDerWaalsContact O-CG1 3.24Å; Y652-I655 WeakPolarHBondContact O-CG1 3.32Å; Y652-L656 WeakPolarHBondContact O-CB 3.42Å; Y652-L656 WeakPolarHBondContact O-CD1 3.48Å; Y652-L656 WeakPolarHBondContact O-CG 3.46Å; Y652-L656 PolarHBondContact O-N 3.03Å; Y652-L656 VanDerWaalsContact O-N 3.1Å; Y652-V681 HydrophobicContact CD2-CG1 4.16Å; Y652-V681 HydrophobicContact CE2-CG1 3.26Å; Y652-V681 VanDerWaalsContact CZ-CG1 3.47Å; Y652-V681 WeakPolarHBondContact OH-CG1 3.46Å; Y652-Y689 AromaticContact CD2-CD2 3.88Å; Y652-Y689 HydrophobicContact CD2-CD2 3.88Å; Y652-Y689 HydrophobicContact CD2-CE2 4.12Å; Y652-Y689 HydrophobicContact CD2-CG 4.27Å
653E89.7Confident87.4Confident117 Ų11738.7 Ų38.755%0.54719%0.193SC..Hα-helixtrans-59.4-50.9177.3-173.1178.9165.100110.9I655 L656 S657E653-I655 PolarHBondContact O-N 3.48Å; E653-L656 PolarHBondContact O-N 3.3Å; E653-S657 PolarHBondContact O-N 3.18Å
654E90.4Very high87.3Confident22 Ų2240.9 Ų40.910%0.10321%0.207CC..Hα-helixtrans-68.5-39.1-175.7-61.681.7175.700112.3M609 L612 F651 L656 S657 L658M609-E654 WeakPolarHBondContact CG-OE1 3.41Å; L612-E654 HydrophobicContact CB-CB 3.81Å; L612-E654 HydrophobicContact CB-CG 4.32Å; L612-E654 HydrophobicContact CD1-CB 3.57Å; L612-E654 HydrophobicContact CD1-CG 4.3Å; L612-E654 HydrophobicContact CG-CB 4.34Å; F651-E654 VanDerWaalsContact C-OE2 3.26Å; F651-E654 VanDerWaalsContact CA-OE2 3.22Å; F651-E654 WeakPolarHBondContact CA-OE2 3.11Å; E654-L656 VanDerWaalsContact C-N 3.3Å; E654-L656 PolarHBondContact O-N 2.79Å; E654-S657 PolarHBondContact O-N 3.3Å; E654-L658 WeakPolarHBondContact O-CB 3.42Å; E654-L658 VanDerWaalsContact O-CG 3.31Å; E654-L658 WeakPolarHBondContact O-CG 3.23Å; E654-L658 PolarHBondContact O-N 3.11Å
655I91.4Very high87.1Confident2 Ų243.9 Ų43.91%0.0122%0.221CC..Hα-helixtrans-69.7-30176.866.3168.8000112.4L612 I640 V643 L644 F651 Y652 E653 A659L612-I655 HydrophobicContact CD1-CG2 4.3Å; I640-I655 HydrophobicContact CG1-CB 4.09Å; I640-I655 HydrophobicContact CG1-CG2 4.41Å; I640-I655 HydrophobicContact CG2-CB 4.36Å; I640-I655 HydrophobicContact CG2-CD1 4.39Å; V643-I655 HydrophobicContact CB-CD1 4.13Å; V643-I655 HydrophobicContact CB-CG2 4.03Å; V643-I655 HydrophobicContact CG1-CD1 3.76Å; V643-I655 HydrophobicContact CG1-CG2 4.14Å; V643-I655 HydrophobicContact CG2-CG2 3.91Å; L644-I655 HydrophobicContact CD1-CD1 4.46Å; L644-I655 HydrophobicContact CD2-CD1 3.32Å; L644-I655 HydrophobicContact CG-CD1 3.65Å; F651-I655 WeakPolarHBondContact O-CG1 3.43Å; F651-I655 WeakPolarHBondContact O-CG2 3.31Å; F651-I655 PolarHBondContact O-N 2.9Å; F651-I655 VanDerWaalsContact O-N 3.16Å; Y652-I655 HydrophobicContact CD1-CD1 4.11Å; Y652-I655 VanDerWaalsContact O-CG1 3.24Å; Y652-I655 WeakPolarHBondContact O-CG1 3.32Å; E653-I655 PolarHBondContact O-N 3.48Å; I655-A659 WeakPolarHBondContact O-CB 3.4Å; I655-A659 PolarHBondContact O-N 3.44Å
656L91.5Very high87.1Confident8 Ų843.2 Ų43.24%0.04222%0.218CC..Hα-helixtrans-74.4-38.3176.8-71.8169.3000110.1Y652 E653 E654 A659 H660 V678 D692 M693 L696Y652-L656 WeakPolarHBondContact O-CB 3.42Å; Y652-L656 WeakPolarHBondContact O-CD1 3.48Å; Y652-L656 WeakPolarHBondContact O-CG 3.46Å; Y652-L656 PolarHBondContact O-N 3.03Å; Y652-L656 VanDerWaalsContact O-N 3.1Å; E653-L656 PolarHBondContact O-N 3.3Å; E654-L656 VanDerWaalsContact C-N 3.3Å; E654-L656 PolarHBondContact O-N 2.79Å; L656-A659 PolarHBondContact O-N 3.18Å; L656-H660 WeakPolarHBondContact O-CB 3.5Å; L656-H660 PolarHBondContact O-N 3.4Å; L656-V678 HydrophobicContact CD2-CG1 4.46Å; L656-V678 HydrophobicContact CD2-CG2 4.42Å; L656-D692 HydrophobicContact CD1-CB 3.84Å; L656-M693 HydrophobicContact CD1-CB 4.42Å; L656-M693 HydrophobicContact CD1-CE 4.41Å; L656-M693 HydrophobicContact CD1-CG 3.51Å; L656-M693 HydrophobicContact CD2-CG 3.92Å; L656-M693 HydrophobicContact CG-CG 4.39Å; L656-L696 HydrophobicContact CD2-CD2 3.91Å
657S90.8Very high87.3Confident46 Ų4638.6 Ų38.632%0.32220%0.197SC..Hα-helixtrans-58.5-50.6168.7-169.10000111.5D616 E653 E654 A659 H660 S661D616-S657 PolarHBondContact OD2-OG 2.9Å; E653-S657 PolarHBondContact O-N 3.18Å; E654-S657 PolarHBondContact O-N 3.3Å; S657-A659 VanDerWaalsContact C-N 3.28Å; S657-A659 PolarHBondContact O-N 3.03Å; S657-H660 CarbonylContact O-C 3.47Å; S657-H660 WeakPolarHBondContact O-CA 3.43Å; S657-H660 VanDerWaalsContact O-CB 3.32Å; S657-H660 WeakPolarHBondContact O-CB 3.18Å; S657-H660 PolarHBondContact O-N 3.22Å; S657-S661 PolarHBondContact O-N 3.44Å; S657-S661 PolarHBondContact O-OG 2.93Å
658L90.9Very high87.6Confident1 Ų136.2 Ų36.21%0.00519%0.188CC..Hα-helixtrans-57.2-41.5176.6-75.3172.7000112.5L612 I615 D616 L619 I640 E654 L662L612-L658 HydrophobicContact CB-CD1 4.26Å; L612-L658 HydrophobicContact CD2-CD1 3.81Å; I615-L658 HydrophobicContact CB-CD2 4.1Å; I615-L658 HydrophobicContact CG2-CD2 3.74Å; D616-L658 HydrophobicContact CB-CD2 3.61Å; D616-L658 HydrophobicContact CB-CG 4.4Å; L619-L658 HydrophobicContact CD1-CD2 3.74Å; I640-L658 HydrophobicContact CD1-CB 4.39Å; E654-L658 WeakPolarHBondContact O-CB 3.42Å; E654-L658 VanDerWaalsContact O-CG 3.31Å; E654-L658 WeakPolarHBondContact O-CG 3.23Å; E654-L658 PolarHBondContact O-N 3.11Å; L658-L662 VanDerWaalsContact O-CG 3.27Å; L658-L662 WeakPolarHBondContact O-CG 3.42Å; L658-L662 PolarHBondContact O-N 3.11Å; L658-L662 VanDerWaalsContact O-N 3.13Å
659A91.3Very high87.8Confident1 Ų142.9 Ų42.91%0.00822%0.218CC..Hα-helixtrans-67.1-37.6176.300000111.9I640 I655 L656 S657 L662 T663 M671 L674 L696I640-A659 HydrophobicContact CD1-CB 4.21Å; I655-A659 WeakPolarHBondContact O-CB 3.4Å; I655-A659 PolarHBondContact O-N 3.44Å; L656-A659 PolarHBondContact O-N 3.18Å; S657-A659 VanDerWaalsContact C-N 3.28Å; S657-A659 PolarHBondContact O-N 3.03Å; A659-L662 PolarHBondContact O-N 3.05Å; A659-T663 WeakPolarHBondContact O-CG2 3.36Å; A659-T663 PolarHBondContact O-N 2.95Å; A659-T663 PolarHBondContact O-OG1 2.87Å; A659-M671 HydrophobicContact CB-CE 4.14Å; A659-L674 HydrophobicContact CB-CD2 3.7Å; A659-L696 HydrophobicContact CB-CD1 3.85Å; A659-L696 HydrophobicContact CB-CD2 3.79Å; A659-L696 HydrophobicContact CB-CG 4.38Å
660H90.6Very high88.1Confident56 Ų5644.5 Ų44.526%0.25922%0.223SC..Hα-helixtrans-60.9-53.5173.6171.574.5000110.5L656 S657 L662 T663 C664 P695 N699L656-H660 WeakPolarHBondContact O-CB 3.5Å; L656-H660 PolarHBondContact O-N 3.4Å; S657-H660 CarbonylContact O-C 3.47Å; S657-H660 WeakPolarHBondContact O-CA 3.43Å; S657-H660 VanDerWaalsContact O-CB 3.32Å; S657-H660 WeakPolarHBondContact O-CB 3.18Å; S657-H660 PolarHBondContact O-N 3.22Å; H660-L662 VanDerWaalsContact C-N 3.26Å; H660-L662 PolarHBondContact O-N 3.33Å; H660-T663 PolarHBondContact O-N 3.08Å; H660-T663 PolarHBondContact O-OG1 2.59Å; H660-C664 PolarHBondContact O-N 2.86Å; H660-C664 PolarHBondContact O-SG 3.49Å; H660-P695 HydrophobicContact CB-CB 4.29Å; H660-P695 VanDerWaalsContact ND1-C 3.33Å; H660-P695 WeakPolarHBondContact ND1-CB 3.36Å; H660-P695 PolarHBondContact ND1-O 3.09Å; H660-P695 VanDerWaalsContact ND1-O 3.11Å; H660-N699 PolarHBondContact CE1-ND2 3.01Å; H660-N699 VanDerWaalsContact CE1-ND2 3.31Å; H660-N699 PolarHBondContact ND1-ND2 3.28Å; H660-N699 PolarHBondContact O-ND2 3.07Å; H660-N699 VanDerWaalsContact O-ND2 3.1Å
661S88.5Confident88.4Confident24 Ų2440 Ų4017%0.16820%0.203CC..Hα-helixtrans-53.7-39.4177.3-61.10000113.1D616 S657 T663D616-S661 VanDerWaalsContact OD1-CB 3.3Å; D616-S661 WeakPolarHBondContact OD1-CB 3.28Å; D616-S661 PolarHBondContact OD1-OG 3.2Å; S657-S661 PolarHBondContact O-N 3.44Å; S657-S661 PolarHBondContact O-OG 2.93Å; S661-T663 VanDerWaalsContact C-N 3.28Å; S661-T663 PolarHBondContact O-N 2.94Å
662L88.2Confident88.5Confident9 Ų940.1 Ų40.15%0.04720%0.203CC..Hα-helixtrans-72.1-16.4177-70.9169.4000114.4L619 T629 E633 C636 I640 L658 A659 H660 M671L619-L662 HydrophobicContact CD1-CD2 4Å; L619-L662 HydrophobicContact CD1-CG 3.98Å; L619-L662 HydrophobicContact CD2-CD2 3.72Å; T629-L662 HydrophobicContact CG2-CD2 4.39Å; E633-L662 HydrophobicContact CB-CD2 4.16Å; E633-L662 HydrophobicContact CG-CD1 4.49Å; E633-L662 HydrophobicContact CG-CD2 4.41Å; C636-L662 HydrophobicContact CB-CD1 3.67Å; I640-L662 HydrophobicContact CD1-CD1 4.46Å; L658-L662 VanDerWaalsContact O-CG 3.27Å; L658-L662 WeakPolarHBondContact O-CG 3.42Å; L658-L662 PolarHBondContact O-N 3.11Å; L658-L662 VanDerWaalsContact O-N 3.13Å; A659-L662 PolarHBondContact O-N 3.05Å; H660-L662 VanDerWaalsContact C-N 3.26Å; H660-L662 PolarHBondContact O-N 3.33Å; L662-M671 HydrophobicContact CB-CE 3.87Å; L662-M671 HydrophobicContact CB-SD 4.28Å; L662-M671 HydrophobicContact CD1-CE 4.27Å; L662-M671 HydrophobicContact CD1-SD 4.27Å
663T88.4Confident88.5Confident0 Ų046.1 Ų46.10%023%0.231CC..Hα-helixtrans-105.2-8.1-175.952.40000114.3A659 H660 S661 Q665 V667 M671 L696 N699A659-T663 WeakPolarHBondContact O-CG2 3.36Å; A659-T663 PolarHBondContact O-N 2.95Å; A659-T663 PolarHBondContact O-OG1 2.87Å; H660-T663 PolarHBondContact O-N 3.08Å; H660-T663 PolarHBondContact O-OG1 2.59Å; S661-T663 VanDerWaalsContact C-N 3.28Å; S661-T663 PolarHBondContact O-N 2.94Å; T663-Q665 PolarHBondContact O-N 3.04Å; T663-V667 HydrophobicContact CG2-CG1 4.42Å; T663-V667 HydrophobicContact CG2-CG2 4.45Å; T663-M671 HydrophobicContact CG2-CB 4.18Å; T663-M671 HydrophobicContact CG2-CE 3.73Å; T663-M671 HydrophobicContact CG2-CG 4.29Å; T663-L696 HydrophobicContact CG2-CD1 3.96Å; T663-N699 WeakPolarHBondContact OG1-CB 3.31Å; T663-N699 PolarHBondContact OG1-ND2 3.26Å
664C84.9Confident88.5Confident45 Ų4540.8 Ų40.830%0.30421%0.206SC..SBendtrans-58.2-42.6-175.7-66.50000114H660 N699 V703H660-C664 PolarHBondContact O-N 2.86Å; H660-C664 PolarHBondContact O-SG 3.49Å; C664-N699 PolarHBondContact N-ND2 3.18Å; C664-N699 PolarHBondContact SG-ND2 3.25Å; C664-V703 WeakPolarHBondContact O-CG2 3.42Å
665Q81.9Confident88.6Confident74 Ų7439.8 Ų39.835%0.34620%0.201SC..SBendtrans-94.1-41.9-176.8-65.2-167700114.5E623 T663E623-Q665 HydrophobicContact CG-CG 4.42Å; E623-Q665 PolarHBondContact O-NE2 3.27Å; E623-Q665 PolarHBondContact O-OE1 2.68Å; E623-Q665 WeakPolarHBondContact OE1-CG 3.34Å; E623-Q665 PolarHBondContact OE1-NE2 3.08Å; T663-Q665 PolarHBondContact O-N 3.04Å
666Q84.3Confident88.5Confident134 Ų13442.3 Ų42.363%0.62622%0.218SC*.  trans-157.2133.2-177.7-177.1175.9-100110S668Q666-S668 PolarHBondContact O-N 3.09Å
667V87Confident88.4Confident6 Ų645.1 Ų45.14%0.03623%0.232CC..  trans-87.3114.8174.6-168.10000110.2T663 M671 W672 Y700 V703 D704T663-V667 HydrophobicContact CG2-CG1 4.42Å; T663-V667 HydrophobicContact CG2-CG2 4.45Å; V667-M671 HydrophobicContact CG1-CB 3.95Å; V667-W672 VanDerWaalsContact CG1-CD1 3.49Å; V667-W672 HydrophobicContact CG1-CD2 4.14Å; V667-W672 HydrophobicContact CG1-CG 4Å; V667-W672 HydrophobicContact CG1-CZ2 4.39Å; V667-W672 VanDerWaalsContact CG1-NE1 3.32Å; V667-Y700 HydrophobicContact CG1-CD1 3.76Å; V667-Y700 HydrophobicContact CG1-CE1 3.53Å; V667-Y700 HydrophobicContact CG2-CD1 4.4Å; V667-V703 HydrophobicContact CG2-CB 4.21Å; V667-V703 HydrophobicContact CG2-CG1 4.24Å; V667-D704 HydrophobicContact CB-CB 3.94Å; V667-D704 HydrophobicContact CG2-CB 3.88Å
668S88.1Confident88.4Confident22 Ų2243 Ų4315%0.15422%0.218CC..  trans-75.2162.6176.5103.70000112E633 Q666 Q670 M671 W672E633-S668 VanDerWaalsContact CD-OG 3.28Å; E633-S668 VanDerWaalsContact OE1-CB 3.24Å; E633-S668 WeakPolarHBondContact OE1-CB 3.33Å; E633-S668 PolarHBondContact OE1-OG 3.21Å; E633-S668 VanDerWaalsContact OE2-CB 3.32Å; E633-S668 WeakPolarHBondContact OE2-CB 3.44Å; E633-S668 PolarHBondContact OE2-OG 3.31Å; Q666-S668 PolarHBondContact O-N 3.09Å; S668-Q670 PolarHBondContact O-N 3.17Å; S668-Q670 PolarHBondContact OG-N 3.05Å; S668-M671 PolarHBondContact O-N 3.04Å; S668-M671 PolarHBondContact OG-N 3.3Å; S668-M671 VanDerWaalsContact OG-N 3.14Å; S668-W672 VanDerWaalsContact O-CD1 3.25Å; S668-W672 PolarHBondContact O-N 3.44Å
669Q85.9Confident88.5Confident164 Ų16444.7 Ų44.777%0.76623%0.225SC*.THydrogen-bonded Turntrans-62.7-26.7172.9-170177.219.500112.9
670Q86.1Confident88.4Confident102 Ų10249.4 Ų49.448%0.47725%0.247SC..THydrogen-bonded Turntrans-76.5-39.6177.1-56.4-175.79.200110.6L637 S668 W672 Q673L637-Q670 HydrophobicContact CD1-CB 3.51Å; L637-Q670 HydrophobicContact CD1-CG 4.5Å; S668-Q670 PolarHBondContact O-N 3.17Å; S668-Q670 PolarHBondContact OG-N 3.05Å; Q670-W672 VanDerWaalsContact C-N 3.31Å; Q670-W672 PolarHBondContact O-N 3.25Å; Q670-Q673 WeakPolarHBondContact O-CA 3.49Å; Q670-Q673 VanDerWaalsContact O-CB 3.3Å; Q670-Q673 WeakPolarHBondContact O-CB 3.45Å; Q670-Q673 PolarHBondContact O-N 3.05Å
671M89.2Confident88.3Confident0 Ų047 Ų470%024%0.237CC..G310 helixtrans-61.2-39.4173-64.1-53.2-69.200111.5E633 L637 A659 L662 T663 V667 S668 Q673 L674 Y700E633-M671 HydrophobicContact CG-CG 4.27Å; E633-M671 HydrophobicContact CG-SD 4Å; L637-M671 HydrophobicContact CD1-SD 4.26Å; L637-M671 HydrophobicContact CD2-SD 3.68Å; L637-M671 HydrophobicContact CG-SD 4.06Å; A659-M671 HydrophobicContact CB-CE 4.14Å; L662-M671 HydrophobicContact CB-CE 3.87Å; L662-M671 HydrophobicContact CB-SD 4.28Å; L662-M671 HydrophobicContact CD1-CE 4.27Å; L662-M671 HydrophobicContact CD1-SD 4.27Å; T663-M671 HydrophobicContact CG2-CB 4.18Å; T663-M671 HydrophobicContact CG2-CE 3.73Å; T663-M671 HydrophobicContact CG2-CG 4.29Å; V667-M671 HydrophobicContact CG1-CB 3.95Å; S668-M671 PolarHBondContact O-N 3.04Å; S668-M671 PolarHBondContact OG-N 3.3Å; S668-M671 VanDerWaalsContact OG-N 3.14Å; M671-Q673 PolarHBondContact O-N 3.4Å; M671-L674 HydrophobicContact CE-CD2 3.94Å; M671-L674 WeakPolarHBondContact O-CA 3.26Å; M671-L674 WeakPolarHBondContact O-CB 3.46Å; M671-L674 PolarHBondContact O-N 2.87Å; M671-Y700 PolarHBondContact O-OH 2.92Å
672W90.2Very high88.3Confident8 Ų846 Ų463%0.0323%0.229CC..G310 helixtrans-60.5-18.6171.9-80.8110.7000114.8V667 S668 Q670 L674 L675 Y700 D704 T707 L708 Y714V667-W672 VanDerWaalsContact CG1-CD1 3.49Å; V667-W672 HydrophobicContact CG1-CD2 4.14Å; V667-W672 HydrophobicContact CG1-CG 4Å; V667-W672 HydrophobicContact CG1-CZ2 4.39Å; V667-W672 VanDerWaalsContact CG1-NE1 3.32Å; S668-W672 VanDerWaalsContact O-CD1 3.25Å; S668-W672 PolarHBondContact O-N 3.44Å; Q670-W672 VanDerWaalsContact C-N 3.31Å; Q670-W672 PolarHBondContact O-N 3.25Å; W672-L674 VanDerWaalsContact C-N 3.34Å; W672-L675 HydrophobicContact CE3-CD2 4.22Å; W672-L675 HydrophobicContact CZ3-CD2 3.87Å; W672-Y700 HydrophobicContact CD2-CD1 4.13Å; W672-Y700 HydrophobicContact CD2-CE1 4.23Å; W672-Y700 AromaticContact CE3-CD1 3.92Å; W672-Y700 HydrophobicContact CE3-CD1 3.92Å; W672-Y700 HydrophobicContact CE3-CE1 4.16Å; W672-Y700 AromaticContact CH2-CD1 3.8Å; W672-Y700 HydrophobicContact CH2-CD1 3.8Å; W672-Y700 HydrophobicContact CH2-CG 4.33Å; W672-Y700 HydrophobicContact CZ2-CD1 4.03Å; W672-Y700 AromaticContact CZ3-CD1 3.75Å; W672-Y700 HydrophobicContact CZ3-CD1 3.75Å; W672-Y700 HydrophobicContact CZ3-CE1 4.43Å; W672-Y700 HydrophobicContact CZ3-CG 4.31Å; W672-D704 HydrophobicContact CZ2-CB 4.17Å; W672-D704 PolarHBondContact NE1-OD2 3.02Å; W672-D704 VanDerWaalsContact NE1-OD2 3.09Å; W672-T707 HydrophobicContact CD2-CG2 3.93Å; W672-T707 VanDerWaalsContact CE2-CG2 3.47Å; W672-T707 HydrophobicContact CG-CG2 4.17Å; W672-T707 HydrophobicContact CZ2-CG2 3.9Å; W672-L708 HydrophobicContact CH2-CB 3.85Å; W672-L708 HydrophobicContact CH2-CD1 3.97Å; W672-L708 HydrophobicContact CZ2-CB 4.49Å; W672-L708 HydrophobicContact CZ3-CD1 4.24Å; W672-Y714 HydrophobicContact CD2-CE2 4.39Å; W672-Y714 HydrophobicContact CE3-CD1 4.02Å; W672-Y714 AromaticContact CE3-CD2 3.9Å; W672-Y714 HydrophobicContact CE3-CD2 3.9Å; W672-Y714 AromaticContact CE3-CE1 3.93Å; W672-Y714 HydrophobicContact CE3-CE1 3.93Å; W672-Y714 AromaticContact CE3-CE2 3.84Å; W672-Y714 HydrophobicContact CE3-CE2 3.84Å; W672-Y714 AromaticContact CE3-CG 4Å; W672-Y714 HydrophobicContact CE3-CG 4Å; W672-Y714 AromaticContact CE3-CZ 3.84Å; W672-Y714 HydrophobicContact CZ3-CD1 4.14Å; W672-Y714 AromaticContact CZ3-CD2 3.82Å; W672-Y714 HydrophobicContact CZ3-CD2 3.82Å; W672-Y714 HydrophobicContact CZ3-CE2 4.24Å; W672-Y714 AromaticContact CZ3-CG 3.77Å; W672-Y714 HydrophobicContact CZ3-CG 3.77Å
673Q89Confident88.3Confident128 Ų12850.4 Ų50.460%0.59825%0.249SC*.G310 helixtrans-80.9-15.2172.1-62.2175.420.400112.9Q670 M671 P676Q670-Q673 WeakPolarHBondContact O-CA 3.49Å; Q670-Q673 VanDerWaalsContact O-CB 3.3Å; Q670-Q673 WeakPolarHBondContact O-CB 3.45Å; Q670-Q673 PolarHBondContact O-N 3.05Å; M671-Q673 PolarHBondContact O-N 3.4Å; Q673-P676 WeakPolarHBondContact O-CD 3.44Å
674L90.4Very high88.2Confident5 Ų555.6 Ų55.63%0.02627%0.274CS..Hα-helixtrans-75.7-36.2177.1-174.661.6000111.8I640 L644 A659 M671 W672 L677 V678I640-L674 HydrophobicContact CG2-CD1 3.66Å; I640-L674 HydrophobicContact CG2-CD2 4.23Å; L644-L674 HydrophobicContact CD1-CD1 3.6Å; A659-L674 HydrophobicContact CB-CD2 3.7Å; M671-L674 HydrophobicContact CE-CD2 3.94Å; M671-L674 WeakPolarHBondContact O-CA 3.26Å; M671-L674 WeakPolarHBondContact O-CB 3.46Å; M671-L674 PolarHBondContact O-N 2.87Å; W672-L674 VanDerWaalsContact C-N 3.34Å; L674-L677 HydrophobicContact CD1-CD1 4.44Å; L674-L677 WeakPolarHBondContact O-CA 3.16Å; L674-L677 WeakPolarHBondContact O-CB 3.23Å; L674-L677 PolarHBondContact O-N 2.85Å; L674-V678 HydrophobicContact CD1-CG2 4.31Å; L674-V678 HydrophobicContact CG-CG2 3.97Å; L674-V678 PolarHBondContact O-N 3.32Å
675L90.9Very high88.1Confident0 Ų055.9 Ų55.90%027%0.272CS..Hα-helixtrans-54.4-45.3-177.417763.7000113.8W672 L677 V678 F679 L697 Y700 Y714 I717W672-L675 HydrophobicContact CE3-CD2 4.22Å; W672-L675 HydrophobicContact CZ3-CD2 3.87Å; L675-L677 VanDerWaalsContact C-N 3.31Å; L675-L677 PolarHBondContact O-N 3.25Å; L675-V678 PolarHBondContact O-N 3.12Å; L675-F679 PolarHBondContact O-N 3.06Å; L675-L697 HydrophobicContact CD1-CD2 3.68Å; L675-Y700 HydrophobicContact CB-CE2 4.2Å; L675-Y700 HydrophobicContact CD1-CD2 4.27Å; L675-Y700 HydrophobicContact CD1-CE2 4.28Å; L675-Y714 HydrophobicContact CD2-CD1 3.72Å; L675-Y714 HydrophobicContact CD2-CG 4.23Å; L675-I717 HydrophobicContact CD1-CG2 4.03Å; L675-I717 HydrophobicContact CG-CG2 4.15Å
676P91Very high88Confident56 Ų5652.4 Ų52.436%0.36426%0.256SS..Hα-helixtrans-62.2-32.7172.8-24.935.1000114.7Q673 E680 I717Q673-P676 WeakPolarHBondContact O-CD 3.44Å; P676-E680 PolarHBondContact O-N 3.48Å; P676-I717 HydrophobicContact CG-CD1 4.41Å
677L89.2Confident88.1Confident66 Ų6648 Ų4835%0.34624%0.235SC..Hα-helixtrans-70.9-44.6177.6-66.1174000110.9L644 L674 L675 F679 E680 V681L644-L677 HydrophobicContact CD1-CB 4.29Å; L674-L677 HydrophobicContact CD1-CD1 4.44Å; L674-L677 WeakPolarHBondContact O-CA 3.16Å; L674-L677 WeakPolarHBondContact O-CB 3.23Å; L674-L677 PolarHBondContact O-N 2.85Å; L675-L677 VanDerWaalsContact C-N 3.31Å; L675-L677 PolarHBondContact O-N 3.25Å; L677-F679 PolarHBondContact O-N 3.19Å; L677-E680 PolarHBondContact O-N 3.43Å; L677-E680 VanDerWaalsContact O-N 3.13Å; L677-V681 WeakPolarHBondContact O-CG2 3.37Å; L677-V681 PolarHBondContact O-N 3.36Å
678V90.7Very high88.1Confident3 Ų353.4 Ų53.42%0.01826%0.263CS..Hα-helixtrans-58.1-40.5174.1173.80000110.3L656 L674 L675 V681 F682 M693 L696 M721L656-V678 HydrophobicContact CD2-CG1 4.46Å; L656-V678 HydrophobicContact CD2-CG2 4.42Å; L674-V678 HydrophobicContact CD1-CG2 4.31Å; L674-V678 HydrophobicContact CG-CG2 3.97Å; L674-V678 PolarHBondContact O-N 3.32Å; L675-V678 PolarHBondContact O-N 3.12Å; V678-V681 PolarHBondContact O-N 2.82Å; V678-F682 WeakPolarHBondContact O-CB 3.32Å; V678-F682 PolarHBondContact O-N 3.1Å; V678-M693 HydrophobicContact CG1-CE 4.3Å; V678-M693 HydrophobicContact CG1-CG 4.09Å; V678-M693 HydrophobicContact CG1-SD 3.69Å; V678-L696 HydrophobicContact CG2-CD2 4.23Å; V678-M721 HydrophobicContact CG1-CE 4.45Å
679F91.9Very high88.1Confident35 Ų3555.4 Ų55.415%0.15427%0.268CS..Hα-helixtrans-64.4-41.4175.2-177.9-117000113.6L675 L677 V681 F682 Q683 I717 M721L675-F679 PolarHBondContact O-N 3.06Å; L677-F679 PolarHBondContact O-N 3.19Å; F679-V681 VanDerWaalsContact C-N 3.34Å; F679-F682 PolarHBondContact O-N 3.35Å; F679-Q683 HydrophobicContact CE1-CG 4.4Å; F679-Q683 VanDerWaalsContact CE1-NE2 3.28Å; F679-Q683 HydrophobicContact CE2-CG 4.26Å; F679-Q683 HydrophobicContact CZ-CG 4.19Å; F679-Q683 WeakPolarHBondContact O-CG 3.4Å; F679-Q683 PolarHBondContact O-N 2.89Å; F679-I717 HydrophobicContact CB-CG2 3.66Å; F679-I717 HydrophobicContact CD1-CG1 4.17Å; F679-I717 HydrophobicContact CD1-CG2 4.5Å; F679-I717 HydrophobicContact CD2-CG2 3.78Å; F679-I717 HydrophobicContact CG-CB 4.47Å; F679-I717 HydrophobicContact CG-CG1 4.23Å; F679-I717 HydrophobicContact CG-CG2 3.73Å; F679-M721 HydrophobicContact CD2-CG 3.51Å; F679-M721 HydrophobicContact CD2-SD 3.99Å; F679-M721 HydrophobicContact CE2-CG 3.86Å
680E89.9Confident88.4Confident101 Ų10147.6 Ų47.647%0.47223%0.232SC..Hα-helixtrans-62.4-43.6176.3-178.8171.4-175.100111.3P676 L677 Q683 Q684P676-E680 PolarHBondContact O-N 3.48Å; L677-E680 PolarHBondContact O-N 3.43Å; L677-E680 VanDerWaalsContact O-N 3.13Å; E680-Q683 WeakPolarHBondContact O-CB 3.5Å; E680-Q683 PolarHBondContact O-N 3.3Å; E680-Q684 WeakPolarHBondContact O-CG 3.41Å; E680-Q684 PolarHBondContact O-N 3.32Å; E680-Q684 PolarHBondContact OE1-NE2 3Å
681V88.3Confident88.6Confident6 Ų644.5 Ų44.54%0.03622%0.219CC..Hα-helixtrans-63.9-46.7177.31690000111.1L644 Y652 L677 V678 F679 Q683 Q684 D685 G686L644-V681 HydrophobicContact CB-CG2 4.27Å; L644-V681 HydrophobicContact CD2-CB 4.43Å; L644-V681 HydrophobicContact CD2-CG1 4.28Å; L644-V681 HydrophobicContact CD2-CG2 3.82Å; Y652-V681 HydrophobicContact CD2-CG1 4.16Å; Y652-V681 HydrophobicContact CE2-CG1 3.26Å; Y652-V681 VanDerWaalsContact CZ-CG1 3.47Å; Y652-V681 WeakPolarHBondContact OH-CG1 3.46Å; L677-V681 WeakPolarHBondContact O-CG2 3.37Å; L677-V681 PolarHBondContact O-N 3.36Å; V678-V681 PolarHBondContact O-N 2.82Å; F679-V681 VanDerWaalsContact C-N 3.34Å; V681-Q683 PolarHBondContact O-N 3.06Å; V681-Q684 PolarHBondContact O-N 3.27Å; V681-D685 PolarHBondContact O-N 3.15Å; V681-D685 VanDerWaalsContact O-N 3.11Å; V681-G686 PolarHBondContact O-N 3.2Å
682F89.8Confident88.7Confident1 Ų146.8 Ų46.80%0.00423%0.232CC..Hα-helixtrans-58.5-30.5173.8174.9-97000113.5V678 F679 F687 F690 M693 M721 K724 V725V678-F682 WeakPolarHBondContact O-CB 3.32Å; V678-F682 PolarHBondContact O-N 3.1Å; F679-F682 PolarHBondContact O-N 3.35Å; F682-F687 HydrophobicContact CE1-CD2 4.44Å; F682-F687 AromaticContact CE2-CD2 3.73Å; F682-F687 HydrophobicContact CE2-CD2 3.73Å; F682-F687 HydrophobicContact CE2-CE2 4.32Å; F682-F687 AromaticContact CZ-CD2 3.63Å; F682-F687 HydrophobicContact CZ-CD2 3.63Å; F682-F687 AromaticContact CZ-CE2 3.94Å; F682-F687 HydrophobicContact CZ-CE2 3.94Å; F682-F690 HydrophobicContact CD2-CD2 4.39Å; F682-F690 HydrophobicContact CE2-CB 4.2Å; F682-F690 AromaticContact CE2-CD2 3.79Å; F682-F690 HydrophobicContact CE2-CD2 3.79Å; F682-F690 HydrophobicContact CE2-CG 4.41Å; F682-F690 HydrophobicContact CZ-CD2 4.35Å; F682-M693 HydrophobicContact CB-CE 4.13Å; F682-M693 HydrophobicContact CB-SD 4.05Å; F682-M693 HydrophobicContact CD2-CE 4.47Å; F682-M693 HydrophobicContact CD2-SD 4.03Å; F682-M693 HydrophobicContact CG-SD 4.43Å; F682-M721 HydrophobicContact CB-CE 3.83Å; F682-M721 HydrophobicContact CD1-CB 4.22Å; F682-M721 HydrophobicContact CD1-CE 4.1Å; F682-M721 HydrophobicContact CD1-CG 3.68Å; F682-M721 HydrophobicContact CD2-CE 3.84Å; F682-M721 HydrophobicContact CE1-CB 3.9Å; F682-M721 HydrophobicContact CE1-CG 3.86Å; F682-M721 HydrophobicContact CE2-CE 4.47Å; F682-M721 HydrophobicContact CG-CE 3.64Å; F682-M721 HydrophobicContact CG-CG 4.23Å; F682-M721 HydrophobicContact CZ-CB 4.23Å; F682-K724 HydrophobicContact CD1-CD 4.4Å; F682-K724 HydrophobicContact CE1-CB 4Å; F682-K724 HydrophobicContact CE1-CD 3.56Å; F682-K724 HydrophobicContact CE1-CG 4.32Å; F682-K724 HydrophobicContact CZ-CB 4.2Å; F682-K724 HydrophobicContact CZ-CD 4.02Å; F682-K724 HydrophobicContact CZ-CG 4.49Å; F682-K724 PolarHBondContact O-NZ 3.19Å; F682-V725 HydrophobicContact CE2-CG2 4.04Å; F682-V725 HydrophobicContact CZ-CG2 3.77Å
683Q88.2Confident88.8Confident103 Ų10346.5 Ų46.548%0.48123%0.231SC..Hα-helixtrans-73.7-28.6176.8-77.4-170.7-23.500113.4F679 E680 V681 K724F679-Q683 HydrophobicContact CE1-CG 4.4Å; F679-Q683 VanDerWaalsContact CE1-NE2 3.28Å; F679-Q683 HydrophobicContact CE2-CG 4.26Å; F679-Q683 HydrophobicContact CZ-CG 4.19Å; F679-Q683 WeakPolarHBondContact O-CG 3.4Å; F679-Q683 PolarHBondContact O-N 2.89Å; E680-Q683 WeakPolarHBondContact O-CB 3.5Å; E680-Q683 PolarHBondContact O-N 3.3Å; V681-Q683 PolarHBondContact O-N 3.06Å; Q683-K724 PolarHBondContact O-NZ 2.97Å
684Q85.7Confident88.9Confident109 Ų10940.4 Ų40.451%0.50920%0.202SC..Hα-helixtrans-92.9-75-174.6-65.5-177.829.300111.5H647 E680 V681H647-Q684 PolarHBondContact CE1-OE1 3.25Å; E680-Q684 WeakPolarHBondContact O-CG 3.41Å; E680-Q684 PolarHBondContact O-N 3.32Å; E680-Q684 PolarHBondContact OE1-NE2 3Å; V681-Q684 PolarHBondContact O-N 3.27Å
685D81.6Confident89Confident51 Ų5141.7 Ų41.727%0.27321%0.211SC..THydrogen-bonded Turntrans-130.1-13.8-16853.9-17.3000113.7H647 L649 V681 F687H647-D685 IonicContact CG-OD2 3.45Å; H647-D685 IonicContact ND1-OD1 2.99Å; H647-D685 PolarHBondContact ND1-OD1 2.87Å; H647-D685 IonicContact ND1-OD2 3.06Å; H647-D685 PolarHBondContact ND1-OD2 3.32Å; L649-D685 HydrophobicContact CD2-CB 3.96Å; L649-D685 WeakPolarHBondContact CD2-OD2 3.29Å; V681-D685 PolarHBondContact O-N 3.15Å; V681-D685 VanDerWaalsContact O-N 3.11Å; D685-F687 VanDerWaalsContact C-N 3.33Å; D685-F687 PolarHBondContact O-N 3.49Å
686G81.2Confident89.1Confident0 Ų041.8 Ų41.80%021%0.211CC..THydrogen-bonded Turntrans-87.225.6178.600000115.8V681 M693V681-G686 PolarHBondContact O-N 3.2Å; G686-M693 WeakPolarHBondContact O-CE 3.33Å
687F86.5Confident89.2Confident43 Ų4339.1 Ų39.119%0.18919%0.194CC..THydrogen-bonded Turntrans-68.4-35.6-176.6-178.8-108.5000112.8F682 D685 Y689 K724 V725 P730F682-F687 HydrophobicContact CE1-CD2 4.44Å; F682-F687 AromaticContact CE2-CD2 3.73Å; F682-F687 HydrophobicContact CE2-CD2 3.73Å; F682-F687 HydrophobicContact CE2-CE2 4.32Å; F682-F687 AromaticContact CZ-CD2 3.63Å; F682-F687 HydrophobicContact CZ-CD2 3.63Å; F682-F687 AromaticContact CZ-CE2 3.94Å; F682-F687 HydrophobicContact CZ-CE2 3.94Å; D685-F687 VanDerWaalsContact C-N 3.33Å; D685-F687 PolarHBondContact O-N 3.49Å; F687-Y689 VanDerWaalsContact C-N 3.32Å; F687-K724 HydrophobicContact CD2-CD 4.06Å; F687-K724 HydrophobicContact CD2-CG 4.39Å; F687-K724 HydrophobicContact CE2-CD 4.08Å; F687-K724 HydrophobicContact CE2-CG 3.89Å; F687-V725 HydrophobicContact CE2-CG2 4.25Å; F687-P730 HydrophobicContact CD1-CB 4.4Å; F687-P730 HydrophobicContact CE1-CB 3.59Å; F687-P730 HydrophobicContact CE1-CG 4.14Å; F687-P730 HydrophobicContact CZ-CB 3.95Å; F687-P730 HydrophobicContact CZ-CG 4Å
688D86.7Confident89.4Confident118 Ų11836.6 Ų36.663%0.63118%0.18SC*.THydrogen-bonded Turntrans-76.8-20-176.7-58.2-30.9000112.5F690D688-F690 VanDerWaalsContact C-N 3.27Å; D688-F690 PolarHBondContact O-N 3.3Å
689Y88.3Confident89.4Confident65 Ų6537 Ų3726%0.25518%0.183SC..THydrogen-bonded Turntrans-88.223.5-180-64-87.4000113.4L649 Y652 F687 T691 D692 M693L649-Y689 PolarHBondContact O-OH 3.07Å; Y652-Y689 AromaticContact CD2-CD2 3.88Å; Y652-Y689 HydrophobicContact CD2-CD2 3.88Å; Y652-Y689 HydrophobicContact CD2-CE2 4.12Å; Y652-Y689 HydrophobicContact CD2-CG 4.27Å; F687-Y689 VanDerWaalsContact C-N 3.32Å; Y689-T691 VanDerWaalsContact C-N 3.31Å; Y689-T691 PolarHBondContact O-N 2.84Å; Y689-D692 WeakPolarHBondContact CA-OD2 3.47Å; Y689-D692 WeakPolarHBondContact CD1-OD2 3.22Å; Y689-D692 PolarHBondContact O-N 3.08Å; Y689-M693 WeakPolarHBondContact O-CG 3.37Å; Y689-M693 PolarHBondContact O-N 3.25Å; Y689-M693 VanDerWaalsContact O-N 3.08Å
690F91.2Very high89.4Confident0 Ų035.3 Ų35.30%018%0.175CC..Hα-helixtrans-65.7-36.5-177.6-178.6-96000112.2F682 D688 D692 M693 M694 L697 M721 V725 P734 H737 A738 L741F682-F690 HydrophobicContact CD2-CD2 4.39Å; F682-F690 HydrophobicContact CE2-CB 4.2Å; F682-F690 AromaticContact CE2-CD2 3.79Å; F682-F690 HydrophobicContact CE2-CD2 3.79Å; F682-F690 HydrophobicContact CE2-CG 4.41Å; F682-F690 HydrophobicContact CZ-CD2 4.35Å; D688-F690 VanDerWaalsContact C-N 3.27Å; D688-F690 PolarHBondContact O-N 3.3Å; F690-D692 VanDerWaalsContact C-N 3.28Å; F690-D692 PolarHBondContact O-N 3.22Å; F690-M693 PolarHBondContact O-N 3.06Å; F690-M694 PolarHBondContact O-N 3.37Å; F690-M694 VanDerWaalsContact O-N 3.09Å; F690-L697 HydrophobicContact CE2-CD1 4.16Å; F690-M721 HydrophobicContact CD2-CE 4.38Å; F690-M721 HydrophobicContact CE2-CB 4.06Å; F690-M721 HydrophobicContact CE2-CE 4.46Å; F690-V725 HydrophobicContact CB-CG2 4.13Å; F690-V725 HydrophobicContact CD1-CG1 4.31Å; F690-V725 HydrophobicContact CD1-CG2 3.98Å; F690-V725 HydrophobicContact CD2-CG2 3.61Å; F690-V725 HydrophobicContact CE1-CG2 4.33Å; F690-V725 HydrophobicContact CE2-CG2 3.98Å; F690-V725 HydrophobicContact CG-CG2 3.6Å; F690-V725 HydrophobicContact CZ-CG2 4.32Å; F690-P734 HydrophobicContact CB-CB 4.47Å; F690-P734 HydrophobicContact CD1-CB 4.31Å; F690-H737 HydrophobicContact CD1-CB 4.27Å; F690-H737 HydrophobicContact CE1-CB 3.97Å; F690-A738 HydrophobicContact CE1-CB 3.68Å; F690-A738 HydrophobicContact CZ-CB 3.88Å; F690-L741 HydrophobicContact CZ-CD2 4.48Å
691T91Very high89.5Confident36 Ų3630.5 Ų30.522%0.22115%0.153CC..Hα-helixtrans-59.4-41.4175.6-59.10000110.5Y689 M693 M694 P695 D733Y689-T691 VanDerWaalsContact C-N 3.31Å; Y689-T691 PolarHBondContact O-N 2.84Å; T691-M693 PolarHBondContact O-N 3.32Å; T691-M694 VanDerWaalsContact O-CB 3.3Å; T691-M694 WeakPolarHBondContact O-CB 3.5Å; T691-M694 PolarHBondContact O-N 3.03Å; T691-P695 WeakPolarHBondContact O-CD 3.18Å; T691-D733 PolarHBondContact OG1-OD2 3.09Å
692D90.3Very high89.6Confident48 Ų4831.7 Ų31.726%0.25716%0.16SC..Hα-helixtrans-72.7-27.1177.3-45.2-65.6000113.2L656 Y689 F690 M694 P695L656-D692 HydrophobicContact CD1-CB 3.84Å; Y689-D692 WeakPolarHBondContact CA-OD2 3.47Å; Y689-D692 WeakPolarHBondContact CD1-OD2 3.22Å; Y689-D692 PolarHBondContact O-N 3.08Å; F690-D692 VanDerWaalsContact C-N 3.28Å; F690-D692 PolarHBondContact O-N 3.22Å; D692-M694 VanDerWaalsContact C-N 3.31Å; D692-P695 WeakPolarHBondContact O-CD 3.41Å
693M92.8Very high89.5Confident3 Ų334 Ų342%0.01517%0.174CC..Hα-helixtrans-74.3-23.8173.9-68.1178.7-166.700112.1L656 V678 F682 G686 Y689 F690 T691 L696 L697 M721L656-M693 HydrophobicContact CD1-CB 4.42Å; L656-M693 HydrophobicContact CD1-CE 4.41Å; L656-M693 HydrophobicContact CD1-CG 3.51Å; L656-M693 HydrophobicContact CD2-CG 3.92Å; L656-M693 HydrophobicContact CG-CG 4.39Å; V678-M693 HydrophobicContact CG1-CE 4.3Å; V678-M693 HydrophobicContact CG1-CG 4.09Å; V678-M693 HydrophobicContact CG1-SD 3.69Å; F682-M693 HydrophobicContact CB-CE 4.13Å; F682-M693 HydrophobicContact CB-SD 4.05Å; F682-M693 HydrophobicContact CD2-CE 4.47Å; F682-M693 HydrophobicContact CD2-SD 4.03Å; F682-M693 HydrophobicContact CG-SD 4.43Å; G686-M693 WeakPolarHBondContact O-CE 3.33Å; Y689-M693 WeakPolarHBondContact O-CG 3.37Å; Y689-M693 PolarHBondContact O-N 3.25Å; Y689-M693 VanDerWaalsContact O-N 3.08Å; F690-M693 PolarHBondContact O-N 3.06Å; T691-M693 PolarHBondContact O-N 3.32Å; M693-L696 PolarHBondContact O-N 3.45Å; M693-L697 HydrophobicContact CB-CD1 4.32Å; M693-L697 VanDerWaalsContact O-CG 3.31Å; M693-L697 WeakPolarHBondContact O-CG 3.44Å; M693-L697 PolarHBondContact O-N 3.04Å; M693-M721 HydrophobicContact SD-CE 3.47Å; M693-M721 WeakPolarHBondContact SD-CE 2.75Å
694M91.5Very high89.5Confident0 Ų030.7 Ų30.70%016%0.16CC..Hα-helixtrans-58.3-48.2-172.6175.758.6179.300113.5F690 T691 D692 L696 L697 H698 H737 K740 L741 Y946F690-M694 PolarHBondContact O-N 3.37Å; F690-M694 VanDerWaalsContact O-N 3.09Å; T691-M694 VanDerWaalsContact O-CB 3.3Å; T691-M694 WeakPolarHBondContact O-CB 3.5Å; T691-M694 PolarHBondContact O-N 3.03Å; D692-M694 VanDerWaalsContact C-N 3.31Å; M694-L696 VanDerWaalsContact C-N 3.29Å; M694-L696 PolarHBondContact O-N 3.48Å; M694-L697 PolarHBondContact O-N 2.92Å; M694-L697 VanDerWaalsContact O-N 3.15Å; M694-H698 WeakPolarHBondContact O-CB 3.5Å; M694-H698 PolarHBondContact O-N 3.19Å; M694-H737 HydrophobicContact CB-CB 4.46Å; M694-H737 HydrophobicContact CG-CB 4.31Å; M694-K740 HydrophobicContact CE-CB 4.41Å; M694-K740 HydrophobicContact CE-CG 4.28Å; M694-L741 HydrophobicContact CE-CB 3.8Å; M694-L741 HydrophobicContact CE-CD1 4.01Å; M694-L741 HydrophobicContact CE-CG 4.41Å; M694-L741 HydrophobicContact SD-CB 3.62Å; M694-L741 HydrophobicContact SD-CD1 3.81Å; M694-L741 HydrophobicContact SD-CD2 3.85Å; M694-L741 HydrophobicContact SD-CG 3.95Å; M694-Y946 HydrophobicContact CE-CD1 4.04Å; M694-Y946 HydrophobicContact CE-CD2 3.99Å; M694-Y946 HydrophobicContact CE-CE1 4.29Å; M694-Y946 HydrophobicContact CE-CE2 4.22Å; M694-Y946 HydrophobicContact CE-CG 3.88Å; M694-Y946 HydrophobicContact CG-CD1 4.48Å; M694-Y946 HydrophobicContact CG-CE1 3.82Å; M694-Y946 HydrophobicContact CG-CE2 3.88Å; M694-Y946 VanDerWaalsContact CG-CZ 3.47Å; M694-Y946 WeakPolarHBondContact CG-OH 3.48Å
695P91.9Very high89.5Confident32 Ų3225.9 Ų25.921%0.20814%0.138CC..Hα-helixtrans-56.8-40177-24.232.7000113.7H660 T691 D692 N699 Y946H660-P695 HydrophobicContact CB-CB 4.29Å; H660-P695 VanDerWaalsContact ND1-C 3.33Å; H660-P695 WeakPolarHBondContact ND1-CB 3.36Å; H660-P695 PolarHBondContact ND1-O 3.09Å; H660-P695 VanDerWaalsContact ND1-O 3.11Å; T691-P695 WeakPolarHBondContact O-CD 3.18Å; D692-P695 WeakPolarHBondContact O-CD 3.41Å; P695-N699 PolarHBondContact O-N 3.11Å; P695-N699 VanDerWaalsContact O-N 3.16Å; P695-Y946 HydrophobicContact CB-CE1 4.47Å; P695-Y946 HydrophobicContact CG-CE1 4.27Å
696L92.7Very high89.8Confident1 Ų128.7 Ų28.71%0.00515%0.153CC..Hα-helixtrans-68.2-44.3176.7174.462.6000111.4L656 A659 T663 V678 M693 M694 H698 N699 Y700L656-L696 HydrophobicContact CD2-CD2 3.91Å; A659-L696 HydrophobicContact CB-CD1 3.85Å; A659-L696 HydrophobicContact CB-CD2 3.79Å; A659-L696 HydrophobicContact CB-CG 4.38Å; T663-L696 HydrophobicContact CG2-CD1 3.96Å; V678-L696 HydrophobicContact CG2-CD2 4.23Å; M693-L696 PolarHBondContact O-N 3.45Å; M694-L696 VanDerWaalsContact C-N 3.29Å; M694-L696 PolarHBondContact O-N 3.48Å; L696-H698 VanDerWaalsContact C-N 3.32Å; L696-H698 PolarHBondContact O-N 2.99Å; L696-N699 PolarHBondContact O-N 3.07Å; L696-Y700 HydrophobicContact CD1-CD2 4.23Å; L696-Y700 HydrophobicContact CD1-CE2 3.54Å; L696-Y700 HydrophobicContact CD2-CE2 4.17Å; L696-Y700 HydrophobicContact CG-CD2 4.17Å; L696-Y700 HydrophobicContact CG-CE2 3.6Å; L696-Y700 WeakPolarHBondContact O-CD2 3.35Å; L696-Y700 PolarHBondContact O-N 3.04Å
697L93.6Very high90.2Very high0 Ų030.8 Ų30.80%017%0.166CC..Hα-helixtrans-64.4-37.5177.8-66.1178.2000112L675 F690 M693 M694 Y700 V701 I718 M721 L741L675-L697 HydrophobicContact CD1-CD2 3.68Å; F690-L697 HydrophobicContact CE2-CD1 4.16Å; M693-L697 HydrophobicContact CB-CD1 4.32Å; M693-L697 VanDerWaalsContact O-CG 3.31Å; M693-L697 WeakPolarHBondContact O-CG 3.44Å; M693-L697 PolarHBondContact O-N 3.04Å; M694-L697 PolarHBondContact O-N 2.92Å; M694-L697 VanDerWaalsContact O-N 3.15Å; L697-Y700 PolarHBondContact O-N 2.77Å; L697-V701 WeakPolarHBondContact O-CG2 3.34Å; L697-V701 PolarHBondContact O-N 3.47Å; L697-I718 HydrophobicContact CD2-CG1 4.37Å; L697-M721 HydrophobicContact CD1-CE 3.97Å; L697-M721 HydrophobicContact CD1-SD 4.21Å; L697-M721 HydrophobicContact CD2-SD 4.37Å; L697-L741 HydrophobicContact CB-CD1 4.38Å; L697-L741 HydrophobicContact CB-CD2 3.73Å; L697-L741 HydrophobicContact CD1-CD2 3.74Å; L697-L741 HydrophobicContact CG-CD2 4.38Å
698H93.3Very high90.2Very high13 Ų1328.8 Ų28.86%0.0616%0.157CC..Hα-helixtrans-60-48.6174178.9-89.7000111.1M694 L696 Y700 V701 T702 Y946 T947M694-H698 WeakPolarHBondContact O-CB 3.5Å; M694-H698 PolarHBondContact O-N 3.19Å; L696-H698 VanDerWaalsContact C-N 3.32Å; L696-H698 PolarHBondContact O-N 2.99Å; H698-Y700 VanDerWaalsContact C-N 3.34Å; H698-Y700 PolarHBondContact O-N 3.33Å; H698-V701 WeakPolarHBondContact O-CA 3.32Å; H698-V701 WeakPolarHBondContact O-CB 3.27Å; H698-V701 PolarHBondContact O-N 3.13Å; H698-T702 VanDerWaalsContact CE1-CG2 3.45Å; H698-T702 WeakPolarHBondContact CE1-CG2 3.48Å; H698-T702 PolarHBondContact O-N 3.37Å; H698-T702 PolarHBondContact O-OG1 3.07Å; H698-Y946 HydrophobicContact CB-CD1 4.05Å; H698-Y946 HydrophobicContact CB-CE1 4.45Å; H698-Y946 AromaticContact CD2-CD1 3.84Å; H698-Y946 AromaticContact CG-CD1 3.87Å; H698-T947 PolarHBondContact NE2-O 3.27Å
699N91.6Very high90.3Very high12 Ų1225.7 Ų25.76%0.06414%0.14CC..Hα-helixtrans-58.5-40.5177.6-76.6-2.1000113.1H660 T663 C664 P695 L696 V701 T702 V703H660-N699 PolarHBondContact CE1-ND2 3.01Å; H660-N699 VanDerWaalsContact CE1-ND2 3.31Å; H660-N699 PolarHBondContact ND1-ND2 3.28Å; H660-N699 PolarHBondContact O-ND2 3.07Å; H660-N699 VanDerWaalsContact O-ND2 3.1Å; T663-N699 WeakPolarHBondContact OG1-CB 3.31Å; T663-N699 PolarHBondContact OG1-ND2 3.26Å; C664-N699 PolarHBondContact N-ND2 3.18Å; C664-N699 PolarHBondContact SG-ND2 3.25Å; P695-N699 PolarHBondContact O-N 3.11Å; P695-N699 VanDerWaalsContact O-N 3.16Å; L696-N699 PolarHBondContact O-N 3.07Å; N699-V701 PolarHBondContact O-N 3.46Å; N699-T702 PolarHBondContact O-N 2.75Å; N699-V703 HydrophobicContact CB-CG2 4.25Å; N699-V703 VanDerWaalsContact O-CB 3.26Å; N699-V703 WeakPolarHBondContact O-CB 3.35Å; N699-V703 WeakPolarHBondContact O-CG2 3.13Å; N699-V703 PolarHBondContact O-N 2.89Å
700Y92.2Very high90.2Very high0 Ų027 Ų270%016%0.158CC..Hα-helixtrans-60.2-28.9174.6-75.3-62.8000112.9V667 M671 W672 L675 L696 L697 H698V667-Y700 HydrophobicContact CG1-CD1 3.76Å; V667-Y700 HydrophobicContact CG1-CE1 3.53Å; V667-Y700 HydrophobicContact CG2-CD1 4.4Å; M671-Y700 PolarHBondContact O-OH 2.92Å; W672-Y700 HydrophobicContact CD2-CD1 4.13Å; W672-Y700 HydrophobicContact CD2-CE1 4.23Å; W672-Y700 AromaticContact CE3-CD1 3.92Å; W672-Y700 HydrophobicContact CE3-CD1 3.92Å; W672-Y700 HydrophobicContact CE3-CE1 4.16Å; W672-Y700 AromaticContact CH2-CD1 3.8Å; W672-Y700 HydrophobicContact CH2-CD1 3.8Å; W672-Y700 HydrophobicContact CH2-CG 4.33Å; W672-Y700 HydrophobicContact CZ2-CD1 4.03Å; W672-Y700 AromaticContact CZ3-CD1 3.75Å; W672-Y700 HydrophobicContact CZ3-CD1 3.75Å; W672-Y700 HydrophobicContact CZ3-CE1 4.43Å; W672-Y700 HydrophobicContact CZ3-CG 4.31Å; L675-Y700 HydrophobicContact CB-CE2 4.2Å; L675-Y700 HydrophobicContact CD1-CD2 4.27Å; L675-Y700 HydrophobicContact CD1-CE2 4.28Å; L696-Y700 HydrophobicContact CD1-CD2 4.23Å; L696-Y700 HydrophobicContact CD1-CE2 3.54Å; L696-Y700 HydrophobicContact CD2-CE2 4.17Å; L696-Y700 HydrophobicContact CG-CD2 4.17Å; L696-Y700 HydrophobicContact CG-CE2 3.6Å; L696-Y700 WeakPolarHBondContact O-CD2 3.35Å; L696-Y700 PolarHBondContact O-N 3.04Å; L697-Y700 PolarHBondContact O-N 2.77Å; H698-Y700 VanDerWaalsContact C-N 3.34Å; H698-Y700 PolarHBondContact O-N 3.33Å
701V91.1Very high89.9Confident0 Ų029.6 Ų29.60%017%0.173CC..Hα-helixtrans-85.2-45.4179.9177.70000111.5L697 H698 N699 T705 L708 I718 L741 V744 V745 Q748L697-V701 WeakPolarHBondContact O-CG2 3.34Å; L697-V701 PolarHBondContact O-N 3.47Å; H698-V701 WeakPolarHBondContact O-CA 3.32Å; H698-V701 WeakPolarHBondContact O-CB 3.27Å; H698-V701 PolarHBondContact O-N 3.13Å; N699-V701 PolarHBondContact O-N 3.46Å; V701-T705 PolarHBondContact O-OG1 3.37Å; V701-L708 HydrophobicContact CB-CD2 4.45Å; V701-L708 HydrophobicContact CG1-CD2 4.46Å; V701-L708 HydrophobicContact CG2-CD2 4.06Å; V701-I718 HydrophobicContact CG2-CD1 3.84Å; V701-L741 HydrophobicContact CG2-CD1 4.41Å; V701-V744 HydrophobicContact CG1-CG1 4.12Å; V701-V745 HydrophobicContact CB-CG2 4.47Å; V701-V745 HydrophobicContact CG1-CB 4.45Å; V701-V745 HydrophobicContact CG1-CG2 3.85Å; V701-V745 HydrophobicContact CG2-CG2 3.74Å; V701-Q748 HydrophobicContact CG1-CB 4.15Å; V701-Q748 HydrophobicContact CG1-CG 4.25Å
702T89.8Confident89.5Confident30 Ų3033.3 Ų33.318%0.18420%0.195CC..Hα-helixtrans-84.3-40.1-171.353.90000113.4H698 N699 V744 Q748H698-T702 VanDerWaalsContact CE1-CG2 3.45Å; H698-T702 WeakPolarHBondContact CE1-CG2 3.48Å; H698-T702 PolarHBondContact O-N 3.37Å; H698-T702 PolarHBondContact O-OG1 3.07Å; N699-T702 PolarHBondContact O-N 2.75Å; T702-V744 HydrophobicContact CG2-CG1 4.01Å; T702-Q748 PolarHBondContact O-NE2 3.34Å
703V87.9Confident89.4Confident50 Ų5037.2 Ų37.230%0.30321%0.21SC..THydrogen-bonded Turntrans-82.8-44-172.3-177.60000112.6C664 V667 N699C664-V703 WeakPolarHBondContact O-CG2 3.42Å; V667-V703 HydrophobicContact CG2-CB 4.21Å; V667-V703 HydrophobicContact CG2-CG1 4.24Å; N699-V703 HydrophobicContact CB-CG2 4.25Å; N699-V703 VanDerWaalsContact O-CB 3.26Å; N699-V703 WeakPolarHBondContact O-CB 3.35Å; N699-V703 WeakPolarHBondContact O-CG2 3.13Å; N699-V703 PolarHBondContact O-N 2.89Å
704D87.7Confident89.2Confident34 Ų3439.2 Ų39.218%0.18222%0.217CC..  trans-130.359.4-178.2-170.48.4000112.8V667 W672 D706 T707 L708V667-D704 HydrophobicContact CB-CB 3.94Å; V667-D704 HydrophobicContact CG2-CB 3.88Å; W672-D704 HydrophobicContact CZ2-CB 4.17Å; W672-D704 PolarHBondContact NE1-OD2 3.02Å; W672-D704 VanDerWaalsContact NE1-OD2 3.09Å; D704-D706 PolarHBondContact O-N 3.03Å; D704-T707 VanDerWaalsContact CG-CB 3.49Å; D704-T707 PolarHBondContact O-N 3.35Å; D704-T707 WeakPolarHBondContact OD1-CB 3.48Å; D704-T707 PolarHBondContact OD1-N 3.22Å; D704-T707 VanDerWaalsContact OD1-N 3.16Å; D704-T707 PolarHBondContact OD1-OG1 3.2Å; D704-T707 WeakPolarHBondContact OD2-CB 3.47Å; D704-T707 PolarHBondContact OD2-OG1 3.27Å; D704-L708 PolarHBondContact O-N 2.99Å
705T87.2Confident89.1Confident8 Ų840 Ų405%0.04922%0.222CC..Hα-helixtrans-57.9-30.9178-42.50000112.8V701 L708 L709 Q748V701-T705 PolarHBondContact O-OG1 3.37Å; T705-L708 WeakPolarHBondContact O-CB 3.23Å; T705-L708 PolarHBondContact O-N 3.22Å; T705-L709 HydrophobicContact CG2-CD1 4.09Å; T705-L709 HydrophobicContact CG2-CG 4.39Å; T705-L709 WeakPolarHBondContact O-CG 3.42Å; T705-L709 PolarHBondContact O-N 3.41Å; T705-L709 VanDerWaalsContact O-N 3.07Å; T705-Q748 HydrophobicContact CG2-CG 4.35Å
706D88Confident89Confident110 Ų11044.6 Ų44.659%0.58824%0.241SC*.Hα-helixtrans-69.3-40.8-177.5-73.4-25.2000111.6D704 L709 S710 R752D704-D706 PolarHBondContact O-N 3.03Å; D706-L709 PolarHBondContact O-N 3.22Å; D706-S710 PolarHBondContact O-N 2.84Å; D706-R752 IonicContact OD1-NH1 3.46Å; D706-R752 PolarHBondContact OD1-NH1 3.06Å
707T88.4Confident89Confident44 Ų4445.6 Ų45.627%0.2725%0.245SC..Hα-helixtrans-69.4-38.9173.6-58.10000111.5W672 D704 L709 S710 Y714W672-T707 HydrophobicContact CD2-CG2 3.93Å; W672-T707 VanDerWaalsContact CE2-CG2 3.47Å; W672-T707 HydrophobicContact CG-CG2 4.17Å; W672-T707 HydrophobicContact CZ2-CG2 3.9Å; D704-T707 VanDerWaalsContact CG-CB 3.49Å; D704-T707 PolarHBondContact O-N 3.35Å; D704-T707 WeakPolarHBondContact OD1-CB 3.48Å; D704-T707 PolarHBondContact OD1-N 3.22Å; D704-T707 VanDerWaalsContact OD1-N 3.16Å; D704-T707 PolarHBondContact OD1-OG1 3.2Å; D704-T707 WeakPolarHBondContact OD2-CB 3.47Å; D704-T707 PolarHBondContact OD2-OG1 3.27Å; T707-L709 VanDerWaalsContact C-N 3.27Å; T707-L709 PolarHBondContact O-N 2.99Å; T707-S710 WeakPolarHBondContact O-CB 3.35Å; T707-S710 PolarHBondContact O-N 3.45Å; T707-S710 PolarHBondContact O-OG 2.89Å; T707-Y714 HydrophobicContact CG2-CE2 4.5Å
708L87.9Confident89Confident0 Ų045.6 Ų45.60%025%0.246CC..Hα-helixtrans-53.7-45.1174.4-177.573.3000111.8W672 V701 D704 T705 S710 I718W672-L708 HydrophobicContact CH2-CB 3.85Å; W672-L708 HydrophobicContact CH2-CD1 3.97Å; W672-L708 HydrophobicContact CZ2-CB 4.49Å; W672-L708 HydrophobicContact CZ3-CD1 4.24Å; V701-L708 HydrophobicContact CB-CD2 4.45Å; V701-L708 HydrophobicContact CG1-CD2 4.46Å; V701-L708 HydrophobicContact CG2-CD2 4.06Å; D704-L708 PolarHBondContact O-N 2.99Å; T705-L708 WeakPolarHBondContact O-CB 3.23Å; T705-L708 PolarHBondContact O-N 3.22Å; L708-S710 VanDerWaalsContact C-N 3.31Å; L708-S710 PolarHBondContact O-N 3.14Å; L708-I718 HydrophobicContact CD1-CD1 3.79Å
709L87.3Confident89Confident54 Ų5446.7 Ų46.728%0.28325%0.25SC..Hα-helixtrans-79.3-12.6-179-65176.2000113.5T705 D706 T707 R752 I754T705-L709 HydrophobicContact CG2-CD1 4.09Å; T705-L709 HydrophobicContact CG2-CG 4.39Å; T705-L709 WeakPolarHBondContact O-CG 3.42Å; T705-L709 PolarHBondContact O-N 3.41Å; T705-L709 VanDerWaalsContact O-N 3.07Å; D706-L709 PolarHBondContact O-N 3.22Å; T707-L709 VanDerWaalsContact C-N 3.27Å; T707-L709 PolarHBondContact O-N 2.99Å; L709-R752 HydrophobicContact CD1-CB 3.63Å; L709-R752 HydrophobicContact CD1-CG 4.42Å; L709-I754 HydrophobicContact CD2-CG2 3.68Å
710S87.1Confident89.1Confident91 Ų9148.4 Ų48.464%0.63626%0.262SS*.Hα-helixtrans-74.8-33.5-179.578.20000113.3D706 T707 L708D706-S710 PolarHBondContact O-N 2.84Å; T707-S710 WeakPolarHBondContact O-CB 3.35Å; T707-S710 PolarHBondContact O-N 3.45Å; T707-S710 PolarHBondContact O-OG 2.89Å; L708-S710 VanDerWaalsContact C-N 3.31Å; L708-S710 PolarHBondContact O-N 3.14Å
711D84.1Confident89.1Confident56 Ų5648.4 Ų48.430%0.29926%0.262SS..SBendtrans-121.2114.2173.9-169.9-16.2000110.3K713 Y714D711-K713 PolarHBondContact O-N 3.13Å; D711-K713 WeakPolarHBondContact OD1-CB 3.44Å; D711-K713 WeakPolarHBondContact OD1-CG 3.44Å; D711-K713 PolarHBondContact OD1-N 2.81Å; D711-Y714 HydrophobicContact CB-CD2 3.73Å; D711-Y714 HydrophobicContact CB-CE2 3.78Å; D711-Y714 PolarHBondContact O-N 3.08Å; D711-Y714 VanDerWaalsContact O-N 3.11Å
712T83Confident89.3Confident113 Ų11348.4 Ų48.469%0.69326%0.262SS*.Hα-helixtrans-57.5-21.7-18052.20000113.5Y714 E716T712-Y714 VanDerWaalsContact C-N 3.34Å; T712-E716 WeakPolarHBondContact O-CB 3.43Å; T712-E716 PolarHBondContact O-N 2.95Å; T712-E716 VanDerWaalsContact O-N 3.14Å
713K87.7Confident89.4Confident131 Ų13151.2 Ų51.257%0.5727%0.272SS*.Hα-helixtrans-65.8-33.9178.4-67.8175.4-178.2174.30113.1D711 E716 I717D711-K713 PolarHBondContact O-N 3.13Å; D711-K713 WeakPolarHBondContact OD1-CB 3.44Å; D711-K713 WeakPolarHBondContact OD1-CG 3.44Å; D711-K713 PolarHBondContact OD1-N 2.81Å; K713-E716 PolarHBondContact O-N 3.27Å; K713-I717 VanDerWaalsContact O-CG1 3.32Å; K713-I717 WeakPolarHBondContact O-CG1 3.49Å; K713-I717 PolarHBondContact O-N 3.22Å
714Y89.2Confident89.7Confident44 Ų4452.5 Ų52.517%0.17327%0.274CS..Hα-helixtrans-66.9-44.7-178.4-63.7-46.8000111.2W672 L675 T707 D711 T712 E716 I717 I718W672-Y714 HydrophobicContact CD2-CE2 4.39Å; W672-Y714 HydrophobicContact CE3-CD1 4.02Å; W672-Y714 AromaticContact CE3-CD2 3.9Å; W672-Y714 HydrophobicContact CE3-CD2 3.9Å; W672-Y714 AromaticContact CE3-CE1 3.93Å; W672-Y714 HydrophobicContact CE3-CE1 3.93Å; W672-Y714 AromaticContact CE3-CE2 3.84Å; W672-Y714 HydrophobicContact CE3-CE2 3.84Å; W672-Y714 AromaticContact CE3-CG 4Å; W672-Y714 HydrophobicContact CE3-CG 4Å; W672-Y714 AromaticContact CE3-CZ 3.84Å; W672-Y714 HydrophobicContact CZ3-CD1 4.14Å; W672-Y714 AromaticContact CZ3-CD2 3.82Å; W672-Y714 HydrophobicContact CZ3-CD2 3.82Å; W672-Y714 HydrophobicContact CZ3-CE2 4.24Å; W672-Y714 AromaticContact CZ3-CG 3.77Å; W672-Y714 HydrophobicContact CZ3-CG 3.77Å; L675-Y714 HydrophobicContact CD2-CD1 3.72Å; L675-Y714 HydrophobicContact CD2-CG 4.23Å; T707-Y714 HydrophobicContact CG2-CE2 4.5Å; D711-Y714 HydrophobicContact CB-CD2 3.73Å; D711-Y714 HydrophobicContact CB-CE2 3.78Å; D711-Y714 PolarHBondContact O-N 3.08Å; D711-Y714 VanDerWaalsContact O-N 3.11Å; T712-Y714 VanDerWaalsContact C-N 3.34Å; Y714-E716 VanDerWaalsContact C-N 3.31Å; Y714-E716 PolarHBondContact O-N 2.74Å; Y714-I717 WeakPolarHBondContact O-CB 3.42Å; Y714-I717 PolarHBondContact O-N 3.31Å; Y714-I718 PolarHBondContact O-N 2.92Å
715L88.8Confident89.9Confident17 Ų1751 Ų519%0.08927%0.265CS..Hα-helixtrans-64.6-36.1174.4-17163000112.3Y719 V745 I754 V757 F761L715-Y719 WeakPolarHBondContact O-CB 3.48Å; L715-Y719 PolarHBondContact O-N 3.25Å; L715-V745 HydrophobicContact CD1-CG1 3.78Å; L715-I754 HydrophobicContact CD2-CG2 4.44Å; L715-V757 HydrophobicContact CD2-CG1 4.07Å; L715-V757 HydrophobicContact CD2-CG2 3.93Å; L715-F761 HydrophobicContact CD1-CZ 4.29Å
716E90.6Very high90.1Very high129 Ų12950.6 Ų50.660%0.60326%0.263SS*.Hα-helixtrans-64.6-39.5174.9-173.5176.2-171.300112.2T712 K713 Y714 S720T712-E716 WeakPolarHBondContact O-CB 3.43Å; T712-E716 PolarHBondContact O-N 2.95Å; T712-E716 VanDerWaalsContact O-N 3.14Å; K713-E716 PolarHBondContact O-N 3.27Å; Y714-E716 VanDerWaalsContact C-N 3.31Å; Y714-E716 PolarHBondContact O-N 2.74Å; E716-S720 WeakPolarHBondContact O-CB 3.34Å; E716-S720 PolarHBondContact O-N 3.37Å
717I92.9Very high90.1Very high21 Ų2147.7 Ų47.711%0.10825%0.249CC..Hα-helixtrans-59.6-55175.1-75.3165.2000110.4L675 P676 F679 K713 Y714 Y719 S720 M721L675-I717 HydrophobicContact CD1-CG2 4.03Å; L675-I717 HydrophobicContact CG-CG2 4.15Å; P676-I717 HydrophobicContact CG-CD1 4.41Å; F679-I717 HydrophobicContact CB-CG2 3.66Å; F679-I717 HydrophobicContact CD1-CG1 4.17Å; F679-I717 HydrophobicContact CD1-CG2 4.5Å; F679-I717 HydrophobicContact CD2-CG2 3.78Å; F679-I717 HydrophobicContact CG-CB 4.47Å; F679-I717 HydrophobicContact CG-CG1 4.23Å; F679-I717 HydrophobicContact CG-CG2 3.73Å; K713-I717 VanDerWaalsContact O-CG1 3.32Å; K713-I717 WeakPolarHBondContact O-CG1 3.49Å; K713-I717 PolarHBondContact O-N 3.22Å; Y714-I717 WeakPolarHBondContact O-CB 3.42Å; Y714-I717 PolarHBondContact O-N 3.31Å; I717-Y719 VanDerWaalsContact C-N 3.32Å; I717-Y719 PolarHBondContact O-N 2.96Å; I717-S720 WeakPolarHBondContact O-CB 3.42Å; I717-S720 PolarHBondContact O-N 3.46Å; I717-S720 VanDerWaalsContact O-N 3.11Å; I717-M721 HydrophobicContact CG2-SD 4.23Å; I717-M721 WeakPolarHBondContact O-CG 3.41Å; I717-M721 PolarHBondContact O-N 3.11Å
718I92.6Very high89.9Confident1 Ų146.7 Ų46.71%0.00525%0.248CC..Hα-helixtrans-57.5-46.7-178.9-64.9177.1000110.6L697 V701 L708 Y714 S720 M721 C722 L741L697-I718 HydrophobicContact CD2-CG1 4.37Å; V701-I718 HydrophobicContact CG2-CD1 3.84Å; L708-I718 HydrophobicContact CD1-CD1 3.79Å; Y714-I718 PolarHBondContact O-N 2.92Å; I718-S720 PolarHBondContact O-N 3.27Å; I718-M721 PolarHBondContact O-N 3.34Å; I718-C722 PolarHBondContact O-N 3.17Å; I718-C722 PolarHBondContact O-SG 3.2Å; I718-L741 HydrophobicContact CG2-CD2 3.8Å; I718-L741 HydrophobicContact CG2-CG 4.11Å
719Y93.1Very high89.6Confident36 Ų3653.7 Ų53.714%0.14129%0.285CS..Hα-helixtrans-62.5-41.9177.4169.6-115.4000112.7L715 I717 M721 C722 K723 L742 L760 F761L715-Y719 WeakPolarHBondContact O-CB 3.48Å; L715-Y719 PolarHBondContact O-N 3.25Å; I717-Y719 VanDerWaalsContact C-N 3.32Å; I717-Y719 PolarHBondContact O-N 2.96Å; Y719-M721 VanDerWaalsContact C-N 3.3Å; Y719-M721 PolarHBondContact O-N 2.69Å; Y719-C722 PolarHBondContact O-N 3.37Å; Y719-K723 HydrophobicContact CE1-CD 4.26Å; Y719-K723 HydrophobicContact CE2-CB 4.23Å; Y719-K723 WeakPolarHBondContact O-CB 3.09Å; Y719-K723 PolarHBondContact O-N 3.29Å; Y719-L742 HydrophobicContact CD2-CD2 4.42Å; Y719-L760 HydrophobicContact CE1-CB 4.4Å; Y719-L760 HydrophobicContact CE1-CD1 4.27Å; Y719-L760 HydrophobicContact CE2-CB 4Å; Y719-F761 AromaticContact CD2-CD1 3.38Å; Y719-F761 HydrophobicContact CD2-CD1 3.38Å; Y719-F761 AromaticContact CD2-CE1 3.37Å; Y719-F761 HydrophobicContact CD2-CE1 3.37Å; Y719-F761 AromaticContact CE2-CD1 3.81Å; Y719-F761 HydrophobicContact CE2-CD1 3.81Å; Y719-F761 HydrophobicContact CE2-CE1 4.19Å; Y719-F761 HydrophobicContact CG-CD1 4.19Å; Y719-F761 AromaticContact CG-CE1 3.71Å; Y719-F761 HydrophobicContact CG-CE1 3.71Å
720S93.8Very high89.2Confident47 Ų4752.7 Ų52.733%0.32928%0.282SS..Hα-helixtrans-62.4-39.2179.4-170.20000111.5E716 I717 I718 K724E716-S720 WeakPolarHBondContact O-CB 3.34Å; E716-S720 PolarHBondContact O-N 3.37Å; I717-S720 WeakPolarHBondContact O-CB 3.42Å; I717-S720 PolarHBondContact O-N 3.46Å; I717-S720 VanDerWaalsContact O-N 3.11Å; I718-S720 PolarHBondContact O-N 3.27Å; S720-K724 WeakPolarHBondContact O-CB 3.31Å; S720-K724 PolarHBondContact O-N 3.32Å
721M93Very high89.1Confident0 Ų049.8 Ų49.80%027%0.267CS..Hα-helixtrans-62.8-56.8173.6-64.1176.271.400111.2V678 F679 F682 F690 M693 L697 I717 I718 Y719 K723 K724 V725V678-M721 HydrophobicContact CG1-CE 4.45Å; F679-M721 HydrophobicContact CD2-CG 3.51Å; F679-M721 HydrophobicContact CD2-SD 3.99Å; F679-M721 HydrophobicContact CE2-CG 3.86Å; F682-M721 HydrophobicContact CB-CE 3.83Å; F682-M721 HydrophobicContact CD1-CB 4.22Å; F682-M721 HydrophobicContact CD1-CE 4.1Å; F682-M721 HydrophobicContact CD1-CG 3.68Å; F682-M721 HydrophobicContact CD2-CE 3.84Å; F682-M721 HydrophobicContact CE1-CB 3.9Å; F682-M721 HydrophobicContact CE1-CG 3.86Å; F682-M721 HydrophobicContact CE2-CE 4.47Å; F682-M721 HydrophobicContact CG-CE 3.64Å; F682-M721 HydrophobicContact CG-CG 4.23Å; F682-M721 HydrophobicContact CZ-CB 4.23Å; F690-M721 HydrophobicContact CD2-CE 4.38Å; F690-M721 HydrophobicContact CE2-CB 4.06Å; F690-M721 HydrophobicContact CE2-CE 4.46Å; M693-M721 HydrophobicContact SD-CE 3.47Å; M693-M721 WeakPolarHBondContact SD-CE 2.75Å; L697-M721 HydrophobicContact CD1-CE 3.97Å; L697-M721 HydrophobicContact CD1-SD 4.21Å; L697-M721 HydrophobicContact CD2-SD 4.37Å; I717-M721 HydrophobicContact CG2-SD 4.23Å; I717-M721 WeakPolarHBondContact O-CG 3.41Å; I717-M721 PolarHBondContact O-N 3.11Å; I718-M721 PolarHBondContact O-N 3.34Å; Y719-M721 VanDerWaalsContact C-N 3.3Å; Y719-M721 PolarHBondContact O-N 2.69Å; M721-K723 VanDerWaalsContact C-N 3.26Å; M721-K723 PolarHBondContact O-N 2.85Å; M721-K724 PolarHBondContact O-N 3.31Å; M721-V725 WeakPolarHBondContact O-CG2 3.45Å; M721-V725 PolarHBondContact O-N 3.24Å
722C94.3Very high89.1Confident0 Ų048.7 Ų48.70%026%0.26CS..Hα-helixtrans-55.7-42.9179.8-61.10000111.8I718 Y719 V725 L726 A738 L742I718-C722 PolarHBondContact O-N 3.17Å; I718-C722 PolarHBondContact O-SG 3.2Å; Y719-C722 PolarHBondContact O-N 3.37Å; C722-V725 PolarHBondContact O-N 2.97Å; C722-L726 WeakPolarHBondContact O-CB 3.16Å; C722-L726 VanDerWaalsContact O-CG 3.29Å; C722-L726 WeakPolarHBondContact O-CG 3.43Å; C722-L726 PolarHBondContact O-N 2.69Å; C722-A738 HydrophobicContact CB-CB 4.25Å; C722-L742 HydrophobicContact CB-CD1 4.28Å; C722-L742 HydrophobicContact CB-CD2 3.8Å; C722-L742 HydrophobicContact CB-CG 3.97Å
723K93.6Very high89.4Confident90 Ų9047.3 Ų47.339%0.39125%0.248SC..Hα-helixtrans-63.8-42.5177.6-175.3-177.6-177.1175.90111.8Y719 M721 V725 T727Y719-K723 HydrophobicContact CE1-CD 4.26Å; Y719-K723 HydrophobicContact CE2-CB 4.23Å; Y719-K723 WeakPolarHBondContact O-CB 3.09Å; Y719-K723 PolarHBondContact O-N 3.29Å; M721-K723 VanDerWaalsContact C-N 3.26Å; M721-K723 PolarHBondContact O-N 2.85Å; K723-V725 VanDerWaalsContact C-N 3.33Å; K723-T727 HydrophobicContact CG-CG2 4.26Å; K723-T727 WeakPolarHBondContact O-CB 3.43Å; K723-T727 VanDerWaalsContact O-CG2 3.32Å; K723-T727 WeakPolarHBondContact O-CG2 3.47Å; K723-T727 PolarHBondContact O-N 3.12Å; K723-T727 PolarHBondContact O-OG1 3.14Å
724K92.9Very high89.5Confident77 Ų7741.8 Ų41.834%0.33523%0.225SC..Hα-helixtrans-63-41.6178.6-168.8-173.5172.8-169.10110.6F682 Q683 F687 S720 M721 G728F682-K724 HydrophobicContact CD1-CD 4.4Å; F682-K724 HydrophobicContact CE1-CB 4Å; F682-K724 HydrophobicContact CE1-CD 3.56Å; F682-K724 HydrophobicContact CE1-CG 4.32Å; F682-K724 HydrophobicContact CZ-CB 4.2Å; F682-K724 HydrophobicContact CZ-CD 4.02Å; F682-K724 HydrophobicContact CZ-CG 4.49Å; F682-K724 PolarHBondContact O-NZ 3.19Å; Q683-K724 PolarHBondContact O-NZ 2.97Å; F687-K724 HydrophobicContact CD2-CD 4.06Å; F687-K724 HydrophobicContact CD2-CG 4.39Å; F687-K724 HydrophobicContact CE2-CD 4.08Å; F687-K724 HydrophobicContact CE2-CG 3.89Å; S720-K724 WeakPolarHBondContact O-CB 3.31Å; S720-K724 PolarHBondContact O-N 3.32Å; M721-K724 PolarHBondContact O-N 3.31Å; K724-G728 PolarHBondContact O-N 3.5Å
725V92.6Very high89.6Confident1 Ų139.7 Ų39.71%0.00622%0.217CC..Hα-helixtrans-62.2-56.1175.4177.70000110.8F682 F687 F690 M721 C722 K723 T727 G728 P730 P734 E735 A738F682-V725 HydrophobicContact CE2-CG2 4.04Å; F682-V725 HydrophobicContact CZ-CG2 3.77Å; F687-V725 HydrophobicContact CE2-CG2 4.25Å; F690-V725 HydrophobicContact CB-CG2 4.13Å; F690-V725 HydrophobicContact CD1-CG1 4.31Å; F690-V725 HydrophobicContact CD1-CG2 3.98Å; F690-V725 HydrophobicContact CD2-CG2 3.61Å; F690-V725 HydrophobicContact CE1-CG2 4.33Å; F690-V725 HydrophobicContact CE2-CG2 3.98Å; F690-V725 HydrophobicContact CG-CG2 3.6Å; F690-V725 HydrophobicContact CZ-CG2 4.32Å; M721-V725 WeakPolarHBondContact O-CG2 3.45Å; M721-V725 PolarHBondContact O-N 3.24Å; C722-V725 PolarHBondContact O-N 2.97Å; K723-V725 VanDerWaalsContact C-N 3.33Å; V725-T727 PolarHBondContact O-N 3.23Å; V725-T727 VanDerWaalsContact O-N 3.1Å; V725-G728 PolarHBondContact O-N 3.18Å; V725-G728 VanDerWaalsContact O-N 3.08Å; V725-P730 HydrophobicContact CG1-CG 3.86Å; V725-P734 HydrophobicContact CG1-CB 3.95Å; V725-P734 WeakPolarHBondContact CG1-O 3.43Å; V725-E735 HydrophobicContact CG1-CG 4.16Å; V725-A738 HydrophobicContact CB-CB 3.99Å; V725-A738 HydrophobicContact CG1-CB 3.83Å
726L90.5Very high89.7Confident1 Ų139 Ų391%0.00521%0.214CC..Hα-helixtrans-64.3-18.1-178.5-68.9170.5000114.7C722 E735 A738 L742 A764 R768C722-L726 WeakPolarHBondContact O-CB 3.16Å; C722-L726 VanDerWaalsContact O-CG 3.29Å; C722-L726 WeakPolarHBondContact O-CG 3.43Å; C722-L726 PolarHBondContact O-N 2.69Å; L726-E735 HydrophobicContact CD2-CB 4.27Å; L726-A738 HydrophobicContact CD1-CB 4.48Å; L726-A738 HydrophobicContact CD2-CB 4.26Å; L726-A738 HydrophobicContact CG-CB 3.98Å; L726-L742 HydrophobicContact CD1-CD1 3.72Å; L726-A764 HydrophobicContact CD1-CB 4.22Å; L726-R768 HydrophobicContact CD2-CB 4.39Å; L726-R768 HydrophobicContact CD2-CG 4.34Å; L726-R768 WeakPolarHBondContact O-CD 3.49Å
727T88.8Confident89.8Confident48 Ų4833.4 Ų33.429%0.29419%0.188SC..Hα-helixtrans-105-11.7176.859.30000113.3K723 V725 R771K723-T727 HydrophobicContact CG-CG2 4.26Å; K723-T727 WeakPolarHBondContact O-CB 3.43Å; K723-T727 VanDerWaalsContact O-CG2 3.32Å; K723-T727 WeakPolarHBondContact O-CG2 3.47Å; K723-T727 PolarHBondContact O-N 3.12Å; K723-T727 PolarHBondContact O-OG1 3.14Å; V725-T727 PolarHBondContact O-N 3.23Å; V725-T727 VanDerWaalsContact O-N 3.1Å; T727-R771 VanDerWaalsContact C-NH1 3.32Å; T727-R771 VanDerWaalsContact O-CZ 3.28Å; T727-R771 PolarHBondContact O-NH1 3.02Å; T727-R771 PolarHBondContact O-NH2 3.47Å
728G83.9Confident89.8Confident24 Ų2432.4 Ų32.425%0.24718%0.183CC..SBendtrans-81.1-153.4175.600000112.4K724 V725 R771K724-G728 PolarHBondContact O-N 3.5Å; V725-G728 PolarHBondContact O-N 3.18Å; V725-G728 VanDerWaalsContact O-N 3.08Å; G728-R771 PolarHBondContact O-NH1 3.47Å
729D81.4Confident89.9Confident147 Ų14732.4 Ų32.479%0.78618%0.182SC*.  trans-144.559.2171.3-167.620.1000110.4G731D729-G731 VanDerWaalsContact C-N 3.33Å
730P79Confident89.9Confident32 Ų3230.7 Ų30.721%0.20818%0.176CC..SBendtrans-79.1-14.2179.929.4-29.1000113.7F687 V725 P734 E735F687-P730 HydrophobicContact CD1-CB 4.4Å; F687-P730 HydrophobicContact CE1-CB 3.59Å; F687-P730 HydrophobicContact CE1-CG 4.14Å; F687-P730 HydrophobicContact CZ-CB 3.95Å; F687-P730 HydrophobicContact CZ-CG 4Å; V725-P730 HydrophobicContact CG1-CG 3.86Å; P730-P734 HydrophobicContact CB-CB 4.21Å; P730-P734 HydrophobicContact CB-CG 4.2Å; P730-P734 HydrophobicContact CG-CB 4.08Å; P730-E735 HydrophobicContact CG-CG 4.17Å
731G84.8Confident89.9Confident31 Ų3128.5 Ų28.532%0.3216%0.16SC..  trans116.2161.9-165.100000111.1D729 E735D729-G731 VanDerWaalsContact C-N 3.33Å; G731-E735 VanDerWaalsContact O-CG 3.25Å; G731-E735 WeakPolarHBondContact O-CG 3.45Å
732E85.8Confident90Very high32 Ų3228.5 Ų28.515%0.1516%0.161CC..Hα-helixtrans-75.1-28.7-174-61.8-164.115800113E735 C736 K774 T775 L778E732-E735 WeakPolarHBondContact O-CB 3.41Å; E732-E735 PolarHBondContact O-N 3.03Å; E732-C736 PolarHBondContact O-N 2.92Å; E732-C736 PolarHBondContact O-SG 3.43Å; E732-K774 WeakPolarHBondContact OE1-CB 3.4Å; E732-K774 PolarHBondContact OE1-N 3.16Å; E732-T775 WeakPolarHBondContact OE2-CB 3.42Å; E732-T775 WeakPolarHBondContact OE2-CG2 3.35Å; E732-T775 PolarHBondContact OE2-N 3.49Å; E732-T775 PolarHBondContact OE2-OG1 3.03Å; E732-L778 HydrophobicContact CB-CB 4.48Å; E732-L778 HydrophobicContact CB-CD2 3.99Å; E732-L778 HydrophobicContact CG-CD2 3.85Å
733D88.3Confident89.9Confident85 Ų8528.5 Ų28.546%0.45516%0.161SC..Hα-helixtrans-63.7-52.1179.6172.279.7000113.4T691 E735 C736 H737T691-D733 PolarHBondContact OG1-OD2 3.09Å; D733-E735 PolarHBondContact O-N 3.4Å; D733-C736 WeakPolarHBondContact O-CB 3.44Å; D733-C736 PolarHBondContact O-N 3.47Å; D733-C736 VanDerWaalsContact O-N 3.11Å; D733-H737 PolarHBondContact O-N 2.9Å; D733-H737 VanDerWaalsContact O-N 3.11Å; D733-H737 PolarHBondContact O-ND1 2.7Å; D733-H737 IonicContact OD1-CE1 4Å; D733-H737 PolarHBondContact OD1-CE1 2.78Å; D733-H737 IonicContact OD1-ND1 2.69Å; D733-H737 IonicContact OD2-CE1 3.08Å; D733-H737 IonicContact OD2-ND1 2.74Å
734P89.1Confident89.9Confident14 Ų1424.2 Ų24.29%0.09114%0.142CC..Hα-helixtrans-60.1-32.4173.9-2735.6000113F690 V725 P730 H737 A738F690-P734 HydrophobicContact CB-CB 4.47Å; F690-P734 HydrophobicContact CD1-CB 4.31Å; V725-P734 HydrophobicContact CG1-CB 3.95Å; V725-P734 WeakPolarHBondContact CG1-O 3.43Å; P730-P734 HydrophobicContact CB-CB 4.21Å; P730-P734 HydrophobicContact CB-CG 4.2Å; P730-P734 HydrophobicContact CG-CB 4.08Å; P734-H737 PolarHBondContact O-N 3.15Å; P734-A738 WeakPolarHBondContact O-CB 3.03Å; P734-A738 PolarHBondContact O-N 3.09Å
735E91.8Very high89.8Confident1 Ų120.6 Ų20.61%0.00513%0.126CC..Hα-helixtrans-68.2-37.8177.1-66174.814500112V725 L726 P730 G731 E732 D733 A738 A739 R768 L778V725-E735 HydrophobicContact CG1-CG 4.16Å; L726-E735 HydrophobicContact CD2-CB 4.27Å; P730-E735 HydrophobicContact CG-CG 4.17Å; G731-E735 VanDerWaalsContact O-CG 3.25Å; G731-E735 WeakPolarHBondContact O-CG 3.45Å; E732-E735 WeakPolarHBondContact O-CB 3.41Å; E732-E735 PolarHBondContact O-N 3.03Å; D733-E735 PolarHBondContact O-N 3.4Å; E735-A738 PolarHBondContact O-N 3.25Å; E735-A739 PolarHBondContact O-N 3.41Å; E735-R768 IonicContact OE1-CZ 2.9Å; E735-R768 IonicContact OE1-NE 2.72Å; E735-R768 PolarHBondContact OE1-NE 3.36Å; E735-R768 IonicContact OE1-NH2 2.68Å; E735-R768 IonicContact OE2-CZ 3.96Å; E735-R768 IonicContact OE2-NE 2.82Å; E735-R768 PolarHBondContact OE2-NE 3.3Å; E735-R768 IonicContact OE2-NH2 3.97Å; E735-R768 PolarHBondContact OE2-NH2 3.1Å; E735-L778 HydrophobicContact CB-CD1 3.57Å; E735-L778 HydrophobicContact CB-CD2 4.31Å; E735-L778 WeakPolarHBondContact OE2-CD2 3.34Å
736C91.4Very high89.7Confident2 Ų220.5 Ų20.51%0.01413%0.126CC..Hα-helixtrans-60.1-49.6170.8-67.90000111E732 D733 A738 A739 K740 L778 M781 L943E732-C736 PolarHBondContact O-N 2.92Å; E732-C736 PolarHBondContact O-SG 3.43Å; D733-C736 WeakPolarHBondContact O-CB 3.44Å; D733-C736 PolarHBondContact O-N 3.47Å; D733-C736 VanDerWaalsContact O-N 3.11Å; C736-A738 VanDerWaalsContact C-N 3.3Å; C736-A738 PolarHBondContact O-N 3.19Å; C736-A739 PolarHBondContact O-N 3.34Å; C736-K740 WeakPolarHBondContact O-CB 3.31Å; C736-K740 PolarHBondContact O-N 3.16Å; C736-L778 WeakPolarHBondContact SG-CA 3.38Å; C736-M781 HydrophobicContact CB-CG 4.22Å; C736-L943 HydrophobicContact CB-CD1 3.81Å
737H92.4Very high89.7Confident12 Ų1220.8 Ų20.86%0.05613%0.127CC..Hα-helixtrans-58.7-40.3176.9-70.982.2000112.1F690 M694 D733 P734 K740 L741 Y946F690-H737 HydrophobicContact CD1-CB 4.27Å; F690-H737 HydrophobicContact CE1-CB 3.97Å; M694-H737 HydrophobicContact CB-CB 4.46Å; M694-H737 HydrophobicContact CG-CB 4.31Å; D733-H737 PolarHBondContact O-N 2.9Å; D733-H737 VanDerWaalsContact O-N 3.11Å; D733-H737 PolarHBondContact O-ND1 2.7Å; D733-H737 IonicContact OD1-CE1 4Å; D733-H737 PolarHBondContact OD1-CE1 2.78Å; D733-H737 IonicContact OD1-ND1 2.69Å; D733-H737 IonicContact OD2-CE1 3.08Å; D733-H737 IonicContact OD2-ND1 2.74Å; P734-H737 PolarHBondContact O-N 3.15Å; H737-K740 PolarHBondContact O-N 2.99Å; H737-L741 PolarHBondContact O-N 3.25Å; H737-Y946 AromaticContact CD2-CE2 3.86Å
738A93.8Very high89.7Confident0 Ų020.2 Ų20.20%012%0.121CC..Hα-helixtrans-67.1-42.3178.300000111.8F690 C722 V725 L726 P734 E735 C736 L741 L742F690-A738 HydrophobicContact CE1-CB 3.68Å; F690-A738 HydrophobicContact CZ-CB 3.88Å; C722-A738 HydrophobicContact CB-CB 4.25Å; V725-A738 HydrophobicContact CB-CB 3.99Å; V725-A738 HydrophobicContact CG1-CB 3.83Å; L726-A738 HydrophobicContact CD1-CB 4.48Å; L726-A738 HydrophobicContact CD2-CB 4.26Å; L726-A738 HydrophobicContact CG-CB 3.98Å; P734-A738 WeakPolarHBondContact O-CB 3.03Å; P734-A738 PolarHBondContact O-N 3.09Å; E735-A738 PolarHBondContact O-N 3.25Å; C736-A738 VanDerWaalsContact C-N 3.3Å; C736-A738 PolarHBondContact O-N 3.19Å; A738-L741 PolarHBondContact O-N 3.28Å; A738-L742 WeakPolarHBondContact O-CG 3.28Å; A738-L742 PolarHBondContact O-N 3.17Å
739A93.4Very high89.8Confident0 Ų019 Ų190%011%0.109CC..Hα-helixtrans-62.8-44.217400000111E735 C736 L741 L742 E743 M781 V785E735-A739 PolarHBondContact O-N 3.41Å; C736-A739 PolarHBondContact O-N 3.34Å; A739-L741 PolarHBondContact O-N 3.37Å; A739-L742 PolarHBondContact O-N 2.95Å; A739-E743 PolarHBondContact O-N 2.84Å; A739-M781 HydrophobicContact CB-CB 3.97Å; A739-V785 HydrophobicContact CB-CG2 4.14Å; A739-V785 WeakPolarHBondContact O-CG2 3.37Å
740K93.6Very high89.9Confident1 Ų115.9 Ų15.90%0.0049%0.088CC..Hα-helixtrans-58.9-45.8176.5-172.662.7178.6176.60111.8M694 C736 H737 L742 E743 V744 M781 H832 L943 Y946M694-K740 HydrophobicContact CE-CB 4.41Å; M694-K740 HydrophobicContact CE-CG 4.28Å; C736-K740 WeakPolarHBondContact O-CB 3.31Å; C736-K740 PolarHBondContact O-N 3.16Å; H737-K740 PolarHBondContact O-N 2.99Å; K740-L742 VanDerWaalsContact C-N 3.33Å; K740-L742 PolarHBondContact O-N 3.17Å; K740-E743 WeakPolarHBondContact CD-OE2 3.46Å; K740-E743 IonicContact NZ-OE2 3.2Å; K740-E743 PolarHBondContact NZ-OE2 3.11Å; K740-E743 WeakPolarHBondContact O-CA 3.47Å; K740-E743 VanDerWaalsContact O-CB 3.27Å; K740-E743 WeakPolarHBondContact O-CB 3.39Å; K740-E743 PolarHBondContact O-N 3.23Å; K740-E743 VanDerWaalsContact O-N 3.08Å; K740-V744 HydrophobicContact CG-CG2 4.49Å; K740-V744 WeakPolarHBondContact O-CG2 3.18Å; K740-V744 PolarHBondContact O-N 3.45Å; K740-M781 HydrophobicContact CD-SD 4.35Å; K740-H832 PolarHBondContact NZ-CD2 3.41Å; K740-H832 PolarHBondContact NZ-NE2 3.12Å; K740-L943 HydrophobicContact CB-CD2 4.37Å; K740-L943 HydrophobicContact CG-CD2 4.45Å; K740-Y946 HydrophobicContact CG-CD2 4.35Å
741L93.8Very high89.9Confident0 Ų017.8 Ų17.80%011%0.114CC..Hα-helixtrans-60.6-40.8178-170.452.1000112.8F690 M694 L697 V701 I718 H737 A738 A739 E743 V744 V745F690-L741 HydrophobicContact CZ-CD2 4.48Å; M694-L741 HydrophobicContact CE-CB 3.8Å; M694-L741 HydrophobicContact CE-CD1 4.01Å; M694-L741 HydrophobicContact CE-CG 4.41Å; M694-L741 HydrophobicContact SD-CB 3.62Å; M694-L741 HydrophobicContact SD-CD1 3.81Å; M694-L741 HydrophobicContact SD-CD2 3.85Å; M694-L741 HydrophobicContact SD-CG 3.95Å; L697-L741 HydrophobicContact CB-CD1 4.38Å; L697-L741 HydrophobicContact CB-CD2 3.73Å; L697-L741 HydrophobicContact CD1-CD2 3.74Å; L697-L741 HydrophobicContact CG-CD2 4.38Å; V701-L741 HydrophobicContact CG2-CD1 4.41Å; I718-L741 HydrophobicContact CG2-CD2 3.8Å; I718-L741 HydrophobicContact CG2-CG 4.11Å; H737-L741 PolarHBondContact O-N 3.25Å; A738-L741 PolarHBondContact O-N 3.28Å; A739-L741 PolarHBondContact O-N 3.37Å; L741-E743 VanDerWaalsContact C-N 3.3Å; L741-E743 PolarHBondContact O-N 3.43Å; L741-V744 PolarHBondContact O-N 3.03Å; L741-V745 VanDerWaalsContact O-CG2 3.3Å; L741-V745 WeakPolarHBondContact O-CG2 3.37Å; L741-V745 PolarHBondContact O-N 3.25Å
742L94.2Very high89.8Confident1 Ų122.3 Ų22.31%0.00512%0.121CC..Hα-helixtrans-62.9-38.7175.3-66.3179.7000111.7Y719 C722 L726 A738 A739 K740 I746 F761 V785Y719-L742 HydrophobicContact CD2-CD2 4.42Å; C722-L742 HydrophobicContact CB-CD1 4.28Å; C722-L742 HydrophobicContact CB-CD2 3.8Å; C722-L742 HydrophobicContact CB-CG 3.97Å; L726-L742 HydrophobicContact CD1-CD1 3.72Å; A738-L742 WeakPolarHBondContact O-CG 3.28Å; A738-L742 PolarHBondContact O-N 3.17Å; A739-L742 PolarHBondContact O-N 2.95Å; K740-L742 VanDerWaalsContact C-N 3.33Å; K740-L742 PolarHBondContact O-N 3.17Å; L742-I746 WeakPolarHBondContact O-CD1 3.48Å; L742-I746 VanDerWaalsContact O-CG1 3.28Å; L742-I746 WeakPolarHBondContact O-CG1 3.21Å; L742-I746 PolarHBondContact O-N 3.01Å; L742-F761 HydrophobicContact CB-CB 4.41Å; L742-F761 HydrophobicContact CB-CD2 4.35Å; L742-F761 HydrophobicContact CD1-CB 4.27Å; L742-F761 HydrophobicContact CD2-CB 4.26Å; L742-F761 HydrophobicContact CD2-CD1 3.84Å; L742-F761 HydrophobicContact CD2-CD2 3.92Å; L742-F761 HydrophobicContact CD2-CE1 4.12Å; L742-F761 HydrophobicContact CD2-CE2 4.18Å; L742-F761 HydrophobicContact CD2-CG 3.75Å; L742-F761 HydrophobicContact CD2-CZ 4.27Å; L742-V785 HydrophobicContact CB-CG1 4.22Å; L742-V785 HydrophobicContact CB-CG2 4.18Å
743E93.9Very high89.4Confident0 Ų023.6 Ų23.60%014%0.143CC..Hα-helixtrans-61.5-51.7173.6-171.1-164.2-161.600111.4A739 K740 L741 V745 I746 L747 V785 A788 H832A739-E743 PolarHBondContact O-N 2.84Å; K740-E743 WeakPolarHBondContact CD-OE2 3.46Å; K740-E743 IonicContact NZ-OE2 3.2Å; K740-E743 PolarHBondContact NZ-OE2 3.11Å; K740-E743 WeakPolarHBondContact O-CA 3.47Å; K740-E743 VanDerWaalsContact O-CB 3.27Å; K740-E743 WeakPolarHBondContact O-CB 3.39Å; K740-E743 PolarHBondContact O-N 3.23Å; K740-E743 VanDerWaalsContact O-N 3.08Å; L741-E743 VanDerWaalsContact C-N 3.3Å; L741-E743 PolarHBondContact O-N 3.43Å; E743-V745 VanDerWaalsContact C-N 3.27Å; E743-V745 PolarHBondContact O-N 3.46Å; E743-I746 WeakPolarHBondContact O-CB 3.49Å; E743-I746 PolarHBondContact O-N 2.86Å; E743-L747 HydrophobicContact CG-CD1 3.91Å; E743-L747 HydrophobicContact CG-CG 4.36Å; E743-L747 WeakPolarHBondContact O-CG 3.26Å; E743-L747 PolarHBondContact O-N 3.46Å; E743-V785 HydrophobicContact CB-CG2 4.46Å; E743-A788 HydrophobicContact CG-CB 3.69Å; E743-H832 IonicContact OE1-NE2 3.67Å; E743-H832 PolarHBondContact OE1-NE2 3.13Å; E743-H832 IonicContact OE2-NE2 3.13Å
744V92.1Very high89.3Confident0 Ų019.9 Ų19.90%012%0.123CC..Hα-helixtrans-53.9-45.9179.4174.70000110.5V701 T702 K740 L741 I746 L747 Q748 T948V701-V744 HydrophobicContact CG1-CG1 4.12Å; T702-V744 HydrophobicContact CG2-CG1 4.01Å; K740-V744 HydrophobicContact CG-CG2 4.49Å; K740-V744 WeakPolarHBondContact O-CG2 3.18Å; K740-V744 PolarHBondContact O-N 3.45Å; L741-V744 PolarHBondContact O-N 3.03Å; V744-I746 PolarHBondContact O-N 2.98Å; V744-L747 PolarHBondContact O-N 2.77Å; V744-Q748 WeakPolarHBondContact O-CB 3.48Å; V744-Q748 PolarHBondContact O-N 2.96Å; V744-T948 HydrophobicContact CB-CG2 4.37Å; V744-T948 HydrophobicContact CG1-CG2 4.4Å; V744-T948 HydrophobicContact CG2-CG2 3.9Å
745V91.6Very high89.2Confident0 Ų023.1 Ų23.10%014%0.139CC..Hα-helixtrans-61.1-42.7177.91760000111.8V701 L715 L741 E743 C749 F761V701-V745 HydrophobicContact CB-CG2 4.47Å; V701-V745 HydrophobicContact CG1-CB 4.45Å; V701-V745 HydrophobicContact CG1-CG2 3.85Å; V701-V745 HydrophobicContact CG2-CG2 3.74Å; L715-V745 HydrophobicContact CD1-CG1 3.78Å; L741-V745 VanDerWaalsContact O-CG2 3.3Å; L741-V745 WeakPolarHBondContact O-CG2 3.37Å; L741-V745 PolarHBondContact O-N 3.25Å; E743-V745 VanDerWaalsContact C-N 3.27Å; E743-V745 PolarHBondContact O-N 3.46Å; V745-C749 WeakPolarHBondContact O-CB 3.13Å; V745-C749 PolarHBondContact O-N 3.15Å; V745-C749 VanDerWaalsContact O-N 3.1Å; V745-C749 PolarHBondContact O-SG 2.96Å; V745-F761 HydrophobicContact CB-CE2 4.11Å; V745-F761 HydrophobicContact CG1-CE2 3.7Å; V745-F761 HydrophobicContact CG1-CZ 4.28Å
746I91.1Very high88.9Confident0 Ų031.4 Ų31.40%018%0.178CC..Hα-helixtrans-63.1-44.9179-68.7165.5000111L742 E743 V744 V758 F761 V785 A788 A789 Y792L742-I746 WeakPolarHBondContact O-CD1 3.48Å; L742-I746 VanDerWaalsContact O-CG1 3.28Å; L742-I746 WeakPolarHBondContact O-CG1 3.21Å; L742-I746 PolarHBondContact O-N 3.01Å; E743-I746 WeakPolarHBondContact O-CB 3.49Å; E743-I746 PolarHBondContact O-N 2.86Å; V744-I746 PolarHBondContact O-N 2.98Å; I746-V758 HydrophobicContact CG1-CG2 4.46Å; I746-F761 HydrophobicContact CD1-CB 4.38Å; I746-F761 HydrophobicContact CD1-CD2 4.15Å; I746-F761 HydrophobicContact CG1-CD2 3.93Å; I746-V785 HydrophobicContact CD1-CG1 3.94Å; I746-A788 HydrophobicContact CG2-CB 4.13Å; I746-A789 HydrophobicContact CD1-CB 4.42Å; I746-Y792 HydrophobicContact CG2-CD2 4.3Å; I746-Y792 HydrophobicContact CG2-CG 4.22Å
747L89.8Confident88.7Confident6 Ų632.9 Ų32.93%0.03119%0.187CC..Hα-helixtrans-72.8-46.9-176.6-65.3178000111.8E743 V744 C749 K750 A788 Y791 I836 T948 V950E743-L747 HydrophobicContact CG-CD1 3.91Å; E743-L747 HydrophobicContact CG-CG 4.36Å; E743-L747 WeakPolarHBondContact O-CG 3.26Å; E743-L747 PolarHBondContact O-N 3.46Å; V744-L747 PolarHBondContact O-N 2.77Å; L747-C749 VanDerWaalsContact C-N 3.34Å; L747-C749 PolarHBondContact O-N 3.1Å; L747-K750 VanDerWaalsContact O-CB 3.32Å; L747-K750 WeakPolarHBondContact O-CB 3.21Å; L747-K750 PolarHBondContact O-N 3.38Å; L747-A788 HydrophobicContact CD1-CB 4.48Å; L747-A788 HydrophobicContact CD2-CB 3.84Å; L747-A788 HydrophobicContact CG-CB 4.03Å; L747-Y791 HydrophobicContact CD2-CD1 3.96Å; L747-I836 HydrophobicContact CD1-CD1 3.6Å; L747-I836 HydrophobicContact CD1-CG1 4.24Å; L747-I836 HydrophobicContact CD2-CD1 4.1Å; L747-T948 HydrophobicContact CD1-CG2 4.06Å; L747-V950 HydrophobicContact CB-CG2 4.49Å; L747-V950 HydrophobicContact CD1-CG2 4.33Å; L747-V950 HydrophobicContact CD2-CG2 4.14Å
748Q88.3Confident88.5Confident36 Ų3632.4 Ų32.417%0.16819%0.185CC..Hα-helixtrans-65-37.6-179.3-17066.43.300112.3V701 T702 T705 V744 K750V701-Q748 HydrophobicContact CG1-CB 4.15Å; V701-Q748 HydrophobicContact CG1-CG 4.25Å; T702-Q748 PolarHBondContact O-NE2 3.34Å; T705-Q748 HydrophobicContact CG2-CG 4.35Å; V744-Q748 WeakPolarHBondContact O-CB 3.48Å; V744-Q748 PolarHBondContact O-N 2.96Å; Q748-K750 VanDerWaalsContact C-N 3.28Å; Q748-K750 PolarHBondContact O-N 3.1Å
749C85.6Confident88.4Confident0 Ų034 Ų340%020%0.195CC..THydrogen-bonded Turntrans-90.116.5-178.4-61.20000113.3V745 L747 G751 R752 I754V745-C749 WeakPolarHBondContact O-CB 3.13Å; V745-C749 PolarHBondContact O-N 3.15Å; V745-C749 VanDerWaalsContact O-N 3.1Å; V745-C749 PolarHBondContact O-SG 2.96Å; L747-C749 VanDerWaalsContact C-N 3.34Å; L747-C749 PolarHBondContact O-N 3.1Å; C749-G751 PolarHBondContact O-N 3.48Å; C749-G751 VanDerWaalsContact O-N 3.16Å; C749-R752 WeakPolarHBondContact O-CB 3.49Å; C749-R752 PolarHBondContact O-N 3.32Å; C749-I754 HydrophobicContact CB-CD1 3.63Å; C749-I754 HydrophobicContact CB-CG1 3.97Å; C749-I754 HydrophobicContact CB-CG2 3.82Å
750K83.8Confident88.3Confident81 Ų8137.7 Ų37.735%0.35222%0.215SC..THydrogen-bonded Turntrans-55.2120.5-178.3-169.9172.7-176.4171.30112.1L747 Q748 R752 Y791 Y792L747-K750 VanDerWaalsContact O-CB 3.32Å; L747-K750 WeakPolarHBondContact O-CB 3.21Å; L747-K750 PolarHBondContact O-N 3.38Å; Q748-K750 VanDerWaalsContact C-N 3.28Å; Q748-K750 PolarHBondContact O-N 3.1Å; K750-R752 VanDerWaalsContact C-N 3.29Å; K750-R752 PolarHBondContact O-N 3.38Å; K750-Y791 HydrophobicContact CD-CD1 4.45Å; K750-Y791 HydrophobicContact CD-CE1 4.18Å; K750-Y791 WeakPolarHBondContact CE-O 3.39Å; K750-Y791 VanDerWaalsContact NZ-CD1 3.34Å; K750-Y791 PolarHBondContact NZ-O 3.38Å; K750-Y792 HydrophobicContact CB-CD2 4.11Å; K750-Y792 HydrophobicContact CB-CE2 4.47Å; K750-Y792 HydrophobicContact CG-CD2 3.97Å; K750-Y792 HydrophobicContact CG-CE2 4.48Å
751G79.1Confident88.2Confident72 Ų7237.8 Ų37.874%0.74222%0.215SC*.THydrogen-bonded Turntrans767.8-179.800000115.5C749C749-G751 PolarHBondContact O-N 3.48Å; C749-G751 VanDerWaalsContact O-N 3.16Å
752R82.3Confident88.1Confident126 Ų12637.8 Ų37.848%0.47522%0.215SC..SBendtrans-99.711.6-179.9-56-168.2-176.6-1406.4114.6D706 L709 C749 K750D706-R752 IonicContact OD1-NH1 3.46Å; D706-R752 PolarHBondContact OD1-NH1 3.06Å; L709-R752 HydrophobicContact CD1-CB 3.63Å; L709-R752 HydrophobicContact CD1-CG 4.42Å; C749-R752 WeakPolarHBondContact O-CB 3.49Å; C749-R752 PolarHBondContact O-N 3.32Å; K750-R752 VanDerWaalsContact C-N 3.29Å; K750-R752 PolarHBondContact O-N 3.38Å
753G78.7Confident87.9Confident58 Ų5838.8 Ų38.860%0.59822%0.223SC*.SBendtrans91.329.816800000116.4D755G753-D755 VanDerWaalsContact C-N 3.33Å; G753-D755 PolarHBondContact O-N 3.2Å
754I85.1Confident87.8Confident7 Ų739 Ų394%0.03623%0.225CC..  trans-89.514.5179.158.5155.7000114.4L709 L715 C749 Q756 V757 V758 Y792L709-I754 HydrophobicContact CD2-CG2 3.68Å; L715-I754 HydrophobicContact CD2-CG2 4.44Å; C749-I754 HydrophobicContact CB-CD1 3.63Å; C749-I754 HydrophobicContact CB-CG1 3.97Å; C749-I754 HydrophobicContact CB-CG2 3.82Å; I754-Q756 PolarHBondContact O-N 3.33Å; I754-V757 HydrophobicContact CB-CG2 3.81Å; I754-V757 HydrophobicContact CG2-CG2 4.5Å; I754-V757 WeakPolarHBondContact O-CG2 3.43Å; I754-V757 PolarHBondContact O-N 2.95Å; I754-V758 HydrophobicContact CD1-CG2 3.85Å; I754-V758 HydrophobicContact CG1-CG2 4.09Å; I754-V758 PolarHBondContact O-N 2.85Å; I754-Y792 HydrophobicContact CD1-CE2 4.03Å; I754-Y792 HydrophobicContact CG1-CE2 3.73Å
755D86.6Confident87.7Confident82 Ų8239 Ų3944%0.43923%0.225SC..THydrogen-bonded Turntrans-54.8-24.6-172.4-62.1-3000114.8G753 P759 Y792 L796G753-D755 VanDerWaalsContact C-N 3.33Å; G753-D755 PolarHBondContact O-N 3.2Å; D755-P759 WeakPolarHBondContact O-CD 3.36Å; D755-Y792 VanDerWaalsContact OD1-CE1 3.23Å; D755-Y792 WeakPolarHBondContact OD1-CE1 3.34Å; D755-Y792 VanDerWaalsContact OD1-CZ 3.32Å; D755-Y792 PolarHBondContact OD1-OH 3.48Å; D755-L796 HydrophobicContact CB-CD2 4.13Å
756Q86.5Confident87.6Confident176 Ų17639.2 Ų39.282%0.82223%0.226SC*.THydrogen-bonded Turntrans-78.3-27.9-179.2-61.8178.433.100113.1I754I754-Q756 PolarHBondContact O-N 3.33Å
757V87.3Confident87.4Confident33 Ų3343 Ų4320%0.224%0.244CC..THydrogen-bonded Turntrans-95.3-27.9-176.9-62.60000112.7L715 I754 P759 L760 F761L715-V757 HydrophobicContact CD2-CG1 4.07Å; L715-V757 HydrophobicContact CD2-CG2 3.93Å; I754-V757 HydrophobicContact CB-CG2 3.81Å; I754-V757 HydrophobicContact CG2-CG2 4.5Å; I754-V757 WeakPolarHBondContact O-CG2 3.43Å; I754-V757 PolarHBondContact O-N 2.95Å; V757-P759 VanDerWaalsContact C-CD 3.48Å; V757-P759 VanDerWaalsContact C-N 3.32Å; V757-L760 WeakPolarHBondContact O-CA 3.43Å; V757-L760 VanDerWaalsContact O-CB 3.27Å; V757-L760 WeakPolarHBondContact O-CB 3.46Å; V757-L760 PolarHBondContact O-N 2.96Å; V757-F761 HydrophobicContact CB-CE1 3.92Å; V757-F761 HydrophobicContact CB-CZ 4.01Å; V757-F761 HydrophobicContact CG2-CE1 4.33Å; V757-F761 HydrophobicContact CG2-CE2 4.23Å; V757-F761 HydrophobicContact CG2-CZ 3.9Å; V757-F761 WeakPolarHBondContact O-CD1 3.49Å; V757-F761 PolarHBondContact O-N 3.36Å; V757-F761 VanDerWaalsContact O-N 3.13Å
758V88.4Confident87.4Confident1 Ų143.3 Ų43.31%0.00625%0.245CC..Hα-helixtrans-52.2-43.7178.7176.40000112.6I746 I754 L760 F761 V762 A789 Y792 L796I746-V758 HydrophobicContact CG1-CG2 4.46Å; I754-V758 HydrophobicContact CD1-CG2 3.85Å; I754-V758 HydrophobicContact CG1-CG2 4.09Å; I754-V758 PolarHBondContact O-N 2.85Å; V758-L760 VanDerWaalsContact C-N 3.25Å; V758-L760 PolarHBondContact O-N 3.06Å; V758-F761 PolarHBondContact O-N 2.82Å; V758-V762 HydrophobicContact CG1-CG2 4.43Å; V758-V762 WeakPolarHBondContact O-CG2 3.46Å; V758-V762 PolarHBondContact O-N 2.93Å; V758-V762 VanDerWaalsContact O-N 3.12Å; V758-A789 HydrophobicContact CG1-CB 3.78Å; V758-Y792 HydrophobicContact CG2-CD1 4.38Å; V758-Y792 HydrophobicContact CG2-CE1 4.29Å; V758-L796 HydrophobicContact CB-CD2 4Å; V758-L796 HydrophobicContact CG1-CD2 4.14Å; V758-L796 HydrophobicContact CG2-CD2 4.49Å
759P90.9Very high87.2Confident34 Ų3443.4 Ų43.422%0.22125%0.246CC..Hα-helixtrans-60.1-33175.4-25.635.9000114.2D755 V757 A763 L796 T800D755-P759 WeakPolarHBondContact O-CD 3.36Å; V757-P759 VanDerWaalsContact C-CD 3.48Å; V757-P759 VanDerWaalsContact C-N 3.32Å; P759-A763 VanDerWaalsContact O-CB 3.3Å; P759-A763 WeakPolarHBondContact O-CB 3.48Å; P759-A763 PolarHBondContact O-N 3.48Å; P759-A763 VanDerWaalsContact O-N 3.07Å; P759-L796 HydrophobicContact CG-CD1 4.17Å; P759-T800 HydrophobicContact CB-CG2 4Å
760L91.1Very high87.1Confident78 Ų7847 Ų4741%0.40827%0.268SS..Hα-helixtrans-72.2-39.1179.3-59.4177000111.3Y719 V757 V758 A763 A764Y719-L760 HydrophobicContact CE1-CB 4.4Å; Y719-L760 HydrophobicContact CE1-CD1 4.27Å; Y719-L760 HydrophobicContact CE2-CB 4Å; V757-L760 WeakPolarHBondContact O-CA 3.43Å; V757-L760 VanDerWaalsContact O-CB 3.27Å; V757-L760 WeakPolarHBondContact O-CB 3.46Å; V757-L760 PolarHBondContact O-N 2.96Å; V758-L760 VanDerWaalsContact C-N 3.25Å; V758-L760 PolarHBondContact O-N 3.06Å; L760-A763 PolarHBondContact O-N 3.06Å; L760-A764 PolarHBondContact O-N 2.87Å
761F92.6Very high87.1Confident2 Ų248 Ų481%0.00927%0.269CS..Hα-helixtrans-66.3-47.8179.3-63.91.9000110.6L715 Y719 L742 V745 I746 V757 V758 A763 A764 A765 V785L715-F761 HydrophobicContact CD1-CZ 4.29Å; Y719-F761 AromaticContact CD2-CD1 3.38Å; Y719-F761 HydrophobicContact CD2-CD1 3.38Å; Y719-F761 AromaticContact CD2-CE1 3.37Å; Y719-F761 HydrophobicContact CD2-CE1 3.37Å; Y719-F761 AromaticContact CE2-CD1 3.81Å; Y719-F761 HydrophobicContact CE2-CD1 3.81Å; Y719-F761 HydrophobicContact CE2-CE1 4.19Å; Y719-F761 HydrophobicContact CG-CD1 4.19Å; Y719-F761 AromaticContact CG-CE1 3.71Å; Y719-F761 HydrophobicContact CG-CE1 3.71Å; L742-F761 HydrophobicContact CB-CB 4.41Å; L742-F761 HydrophobicContact CB-CD2 4.35Å; L742-F761 HydrophobicContact CD1-CB 4.27Å; L742-F761 HydrophobicContact CD2-CB 4.26Å; L742-F761 HydrophobicContact CD2-CD1 3.84Å; L742-F761 HydrophobicContact CD2-CD2 3.92Å; L742-F761 HydrophobicContact CD2-CE1 4.12Å; L742-F761 HydrophobicContact CD2-CE2 4.18Å; L742-F761 HydrophobicContact CD2-CG 3.75Å; L742-F761 HydrophobicContact CD2-CZ 4.27Å; V745-F761 HydrophobicContact CB-CE2 4.11Å; V745-F761 HydrophobicContact CG1-CE2 3.7Å; V745-F761 HydrophobicContact CG1-CZ 4.28Å; I746-F761 HydrophobicContact CD1-CB 4.38Å; I746-F761 HydrophobicContact CD1-CD2 4.15Å; I746-F761 HydrophobicContact CG1-CD2 3.93Å; V757-F761 HydrophobicContact CB-CE1 3.92Å; V757-F761 HydrophobicContact CB-CZ 4.01Å; V757-F761 HydrophobicContact CG2-CE1 4.33Å; V757-F761 HydrophobicContact CG2-CE2 4.23Å; V757-F761 HydrophobicContact CG2-CZ 3.9Å; V757-F761 WeakPolarHBondContact O-CD1 3.49Å; V757-F761 PolarHBondContact O-N 3.36Å; V757-F761 VanDerWaalsContact O-N 3.13Å; V758-F761 PolarHBondContact O-N 2.82Å; F761-A763 VanDerWaalsContact C-N 3.29Å; F761-A763 PolarHBondContact O-N 3.02Å; F761-A764 PolarHBondContact O-N 3.46Å; F761-A765 PolarHBondContact O-N 3.33Å; F761-V785 HydrophobicContact CB-CG1 4.36Å
762V91.1Very high87.1Confident1 Ų152.3 Ų52.31%0.00627%0.27CS..Hα-helixtrans-60.3-40.5175.5174.60000111.1V758 L766 A786 A789 L797 T800 L801 L804V758-V762 HydrophobicContact CG1-CG2 4.43Å; V758-V762 WeakPolarHBondContact O-CG2 3.46Å; V758-V762 PolarHBondContact O-N 2.93Å; V758-V762 VanDerWaalsContact O-N 3.12Å; V762-L766 HydrophobicContact CG1-CD1 3.63Å; V762-L766 HydrophobicContact CG1-CG 4.17Å; V762-L766 WeakPolarHBondContact O-CB 3.48Å; V762-L766 VanDerWaalsContact O-CG 3.26Å; V762-L766 WeakPolarHBondContact O-CG 3.25Å; V762-L766 PolarHBondContact O-N 3.04Å; V762-A786 HydrophobicContact CG1-CB 4.43Å; V762-A789 HydrophobicContact CG2-CB 3.63Å; V762-L797 HydrophobicContact CG1-CD1 3.87Å; V762-L797 HydrophobicContact CG2-CD1 4.02Å; V762-T800 HydrophobicContact CB-CG2 4.39Å; V762-T800 HydrophobicContact CG1-CG2 4.24Å; V762-L801 HydrophobicContact CG1-CD2 4.39Å; V762-L804 HydrophobicContact CG1-CD1 4.43Å
763A90.3Very high87Confident21 Ų2147.6 Ų47.617%0.17426%0.255CS..Hα-helixtrans-62.1-45.2177.600000112.1P759 L760 F761 E767 L804P759-A763 VanDerWaalsContact O-CB 3.3Å; P759-A763 WeakPolarHBondContact O-CB 3.48Å; P759-A763 PolarHBondContact O-N 3.48Å; P759-A763 VanDerWaalsContact O-N 3.07Å; L760-A763 PolarHBondContact O-N 3.06Å; F761-A763 VanDerWaalsContact C-N 3.29Å; F761-A763 PolarHBondContact O-N 3.02Å; A763-E767 WeakPolarHBondContact O-CB 3.32Å; A763-E767 PolarHBondContact O-N 3.44Å; A763-L804 HydrophobicContact CB-CD1 4.18Å; A763-L804 HydrophobicContact CB-CD2 3.71Å
764A90.8Very high87Confident4 Ų453.2 Ų53.23%0.03326%0.263CS..Hα-helixtrans-64.5-48.4-179.800000112.3L726 L760 F761 E767 R768L726-A764 HydrophobicContact CD1-CB 4.22Å; L760-A764 PolarHBondContact O-N 2.87Å; F761-A764 PolarHBondContact O-N 3.46Å; A764-E767 PolarHBondContact O-N 2.96Å; A764-R768 PolarHBondContact O-N 3.32Å
765A90.9Very high86.9Confident0 Ų055.4 Ų55.40%028%0.277CS..Hα-helixtrans-63.1-44.8179.600000112.2F761 R768 C782 V785F761-A765 PolarHBondContact O-N 3.33Å; A765-R768 WeakPolarHBondContact O-CB 3.4Å; A765-R768 PolarHBondContact O-N 2.99Å; A765-C782 HydrophobicContact CB-CB 4.47Å; A765-V785 HydrophobicContact CB-CB 3.88Å; A765-V785 HydrophobicContact CB-CG1 4.02Å; A765-V785 HydrophobicContact CB-CG2 4.03Å
766L89.1Confident86.8Confident5 Ų554.1 Ų54.13%0.02628%0.275CS..Hα-helixtrans-74-27179.5-62.6-179.3000112.9V762 R768 L769 A786 L801 F806 I813 F817V762-L766 HydrophobicContact CG1-CD1 3.63Å; V762-L766 HydrophobicContact CG1-CG 4.17Å; V762-L766 WeakPolarHBondContact O-CB 3.48Å; V762-L766 VanDerWaalsContact O-CG 3.26Å; V762-L766 WeakPolarHBondContact O-CG 3.25Å; V762-L766 PolarHBondContact O-N 3.04Å; L766-R768 VanDerWaalsContact C-N 3.32Å; L766-L769 HydrophobicContact CD2-CD1 3.91Å; L766-L769 PolarHBondContact O-N 3.13Å; L766-A786 HydrophobicContact CD2-CB 4.37Å; L766-L801 HydrophobicContact CD1-CD2 3.55Å; L766-F806 VanDerWaalsContact C-CZ 3.4Å; L766-F806 HydrophobicContact CB-CE2 4.2Å; L766-F806 HydrophobicContact CB-CZ 3.54Å; L766-F806 VanDerWaalsContact O-CZ 3.3Å; L766-F806 WeakPolarHBondContact O-CZ 3.48Å; L766-I813 HydrophobicContact CD1-CG2 4.34Å; L766-F817 HydrophobicContact CD2-CD2 4.21Å
767E87.7Confident86.8Confident81 Ų8148.9 Ų48.938%0.37925%0.25SS..Hα-helixtrans-64.6-37.9171.8-175.1174.6-179.900111.1A763 A764 L769 T770 F806A763-E767 WeakPolarHBondContact O-CB 3.32Å; A763-E767 PolarHBondContact O-N 3.44Å; A764-E767 PolarHBondContact O-N 2.96Å; E767-L769 VanDerWaalsContact C-N 3.28Å; E767-L769 PolarHBondContact O-N 3.18Å; E767-T770 WeakPolarHBondContact O-CB 3.42Å; E767-T770 PolarHBondContact O-N 3.1Å; E767-T770 PolarHBondContact O-OG1 3.39Å; E767-F806 HydrophobicContact CB-CE1 3.95Å
768R88.3Confident86.8Confident12 Ų1247.3 Ų47.35%0.04524%0.241CC..Hα-helixtrans-60.5-36.4176.1178.256.3-172.985.8-1112.8L726 E735 A764 A765 L766 T770 R771 E772 L778L726-R768 HydrophobicContact CD2-CB 4.39Å; L726-R768 HydrophobicContact CD2-CG 4.34Å; L726-R768 WeakPolarHBondContact O-CD 3.49Å; E735-R768 IonicContact OE1-CZ 2.9Å; E735-R768 IonicContact OE1-NE 2.72Å; E735-R768 PolarHBondContact OE1-NE 3.36Å; E735-R768 IonicContact OE1-NH2 2.68Å; E735-R768 IonicContact OE2-CZ 3.96Å; E735-R768 IonicContact OE2-NE 2.82Å; E735-R768 PolarHBondContact OE2-NE 3.3Å; E735-R768 IonicContact OE2-NH2 3.97Å; E735-R768 PolarHBondContact OE2-NH2 3.1Å; A764-R768 PolarHBondContact O-N 3.32Å; A765-R768 WeakPolarHBondContact O-CB 3.4Å; A765-R768 PolarHBondContact O-N 2.99Å; L766-R768 VanDerWaalsContact C-N 3.32Å; R768-T770 PolarHBondContact O-N 3.01Å; R768-T770 VanDerWaalsContact O-N 3.16Å; R768-R771 PolarHBondContact O-N 2.71Å; R768-R771 VanDerWaalsContact O-N 3.14Å; R768-E772 PolarHBondContact NH1-O 3.32Å; R768-L778 VanDerWaalsContact NH2-CD2 3.28Å
769L85.6Confident86.9Confident38 Ų3850.5 Ų50.520%0.19925%0.253CS..THydrogen-bonded Turntrans-65.5-11.8175.5-66.6179.4000114.2L766 E767 R771 V773 R779 C782 L783L766-L769 HydrophobicContact CD2-CD1 3.91Å; L766-L769 PolarHBondContact O-N 3.13Å; E767-L769 VanDerWaalsContact C-N 3.28Å; E767-L769 PolarHBondContact O-N 3.18Å; L769-R771 VanDerWaalsContact C-N 3.28Å; L769-V773 HydrophobicContact CD2-CG2 4.4Å; L769-R779 HydrophobicContact CD2-CB 4.44Å; L769-R779 HydrophobicContact CD2-CG 3.96Å; L769-C782 HydrophobicContact CD1-CB 3.96Å; L769-C782 HydrophobicContact CD2-CB 3.7Å; L769-C782 HydrophobicContact CG-CB 3.7Å; L769-L783 HydrophobicContact CD1-CD2 3.96Å; L769-L783 HydrophobicContact CD1-CG 4.26Å
770T83.2Confident86.8Confident74 Ų7449 Ų4945%0.45424%0.243SC..THydrogen-bonded Turntrans-79.4-13.717569.60000113.4E767 R768 F806E767-T770 WeakPolarHBondContact O-CB 3.42Å; E767-T770 PolarHBondContact O-N 3.1Å; E767-T770 PolarHBondContact O-OG1 3.39Å; R768-T770 PolarHBondContact O-N 3.01Å; R768-T770 VanDerWaalsContact O-N 3.16Å; T770-F806 HydrophobicContact CG2-CB 4.06Å; T770-F806 HydrophobicContact CG2-CD1 3.67Å; T770-F806 HydrophobicContact CG2-CD2 3.8Å; T770-F806 HydrophobicContact CG2-CE1 4.08Å; T770-F806 HydrophobicContact CG2-CE2 4.16Å; T770-F806 HydrophobicContact CG2-CG 3.57Å; T770-F806 HydrophobicContact CG2-CZ 4.33Å
771R83.1Confident86.8Confident102 Ų10245.4 Ų45.439%0.38522%0.224SC..SBendtrans-92.2171.5175.5-56.8177.5-171.3-172.5-1109.8T727 G728 R768 L769T727-R771 VanDerWaalsContact C-NH1 3.32Å; T727-R771 VanDerWaalsContact O-CZ 3.28Å; T727-R771 PolarHBondContact O-NH1 3.02Å; T727-R771 PolarHBondContact O-NH2 3.47Å; G728-R771 PolarHBondContact O-NH1 3.47Å; R768-R771 PolarHBondContact O-N 2.71Å; R768-R771 VanDerWaalsContact O-N 3.14Å; L769-R771 VanDerWaalsContact C-N 3.28Å
772E78.8Confident86.7Confident163 Ų16345.3 Ų45.376%0.76222%0.224SC*.  trans-61.4137.5172.8-166.3169.7-177.300109.9R768R768-E772 PolarHBondContact NH1-O 3.32Å
773V81.4Confident86.7Confident27 Ų2745.3 Ų45.316%0.16422%0.224CC..  trans-132.1116.7179.7177.20000106.2L769 T775 L778 R779L769-V773 HydrophobicContact CD2-CG2 4.4Å; V773-T775 WeakPolarHBondContact CG1-O 3.26Å; V773-L778 HydrophobicContact CG1-CB 4.17Å; V773-L778 HydrophobicContact CG1-CD2 4.22Å; V773-L778 HydrophobicContact CG1-CG 4.32Å; V773-R779 HydrophobicContact CG1-CB 4.14Å
774K78.7Confident86.7Confident176 Ų17644.3 Ų44.377%0.76522%0.215SC*.  trans-86.6-44.4-175.7-59.5176-178.6173.50110.9E732E732-K774 WeakPolarHBondContact OE1-CB 3.4Å; E732-K774 PolarHBondContact OE1-N 3.16Å
775T83.1Confident86.9Confident54 Ų5444.1 Ų44.133%0.33121%0.214SC..  trans-88.7147.3-179.557.20000113.1E732 V773 E777 L778E732-T775 WeakPolarHBondContact OE2-CB 3.42Å; E732-T775 WeakPolarHBondContact OE2-CG2 3.35Å; E732-T775 PolarHBondContact OE2-N 3.49Å; E732-T775 PolarHBondContact OE2-OG1 3.03Å; V773-T775 WeakPolarHBondContact CG1-O 3.26Å; T775-E777 VanDerWaalsContact C-N 3.32Å; T775-L778 WeakPolarHBondContact OG1-CB 3.47Å; T775-L778 PolarHBondContact OG1-N 3.41Å
776S84.4Confident86.9Confident54 Ų5444.1 Ų44.138%0.37821%0.214SC..Hα-helixtrans-68-33.6168.846.10000111.6R779 T780S776-R779 VanDerWaalsContact O-CB 3.3Å; S776-R779 WeakPolarHBondContact O-CB 3.38Å; S776-R779 PolarHBondContact O-N 3.08Å; S776-T780 WeakPolarHBondContact O-CG2 3.49Å; S776-T780 PolarHBondContact O-N 3.44Å; S776-T780 PolarHBondContact O-OG1 3.07Å
777E85.6Confident87Confident66 Ų6643.9 Ų43.931%0.30821%0.213SC..Hα-helixtrans-61.5-49.2-178.7-171.7177.1-159.300113.2T775 R779 T780 M781T775-E777 VanDerWaalsContact C-N 3.32Å; E777-R779 PolarHBondContact O-N 3.03Å; E777-T780 WeakPolarHBondContact CA-OG1 3.49Å; E777-T780 PolarHBondContact O-N 3.45Å; E777-T780 VanDerWaalsContact O-N 3.14Å; E777-T780 PolarHBondContact O-OG1 3.26Å; E777-M781 HydrophobicContact CG-CG 4.38Å; E777-M781 WeakPolarHBondContact O-CB 3.48Å; E777-M781 VanDerWaalsContact O-CG 3.28Å; E777-M781 WeakPolarHBondContact O-CG 3.48Å; E777-M781 PolarHBondContact O-N 3.31Å
778L88.1Confident87.2Confident0 Ų040 Ų400%020%0.195CC..Hα-helixtrans-59.6-35.9176.6176.760.1000111.9E732 E735 C736 R768 V773 T775 C782E732-L778 HydrophobicContact CB-CB 4.48Å; E732-L778 HydrophobicContact CB-CD2 3.99Å; E732-L778 HydrophobicContact CG-CD2 3.85Å; E735-L778 HydrophobicContact CB-CD1 3.57Å; E735-L778 HydrophobicContact CB-CD2 4.31Å; E735-L778 WeakPolarHBondContact OE2-CD2 3.34Å; C736-L778 WeakPolarHBondContact SG-CA 3.38Å; R768-L778 VanDerWaalsContact NH2-CD2 3.28Å; V773-L778 HydrophobicContact CG1-CB 4.17Å; V773-L778 HydrophobicContact CG1-CD2 4.22Å; V773-L778 HydrophobicContact CG1-CG 4.32Å; T775-L778 WeakPolarHBondContact OG1-CB 3.47Å; T775-L778 PolarHBondContact OG1-N 3.41Å; L778-C782 WeakPolarHBondContact O-CB 3.42Å; L778-C782 PolarHBondContact O-N 3.44Å; L778-C782 PolarHBondContact O-SG 3.31Å
779R89.2Confident87.3Confident68 Ų6839.5 Ų39.526%0.25719%0.193SC..Hα-helixtrans-65.8-47.6177.7-165.1-172.9-56.3155.99.4111L769 V773 S776 E777 C782 L783 D824L769-R779 HydrophobicContact CD2-CB 4.44Å; L769-R779 HydrophobicContact CD2-CG 3.96Å; V773-R779 HydrophobicContact CG1-CB 4.14Å; S776-R779 VanDerWaalsContact O-CB 3.3Å; S776-R779 WeakPolarHBondContact O-CB 3.38Å; S776-R779 PolarHBondContact O-N 3.08Å; E777-R779 PolarHBondContact O-N 3.03Å; R779-C782 PolarHBondContact O-N 2.93Å; R779-L783 HydrophobicContact CG-CD1 4.41Å; R779-L783 VanDerWaalsContact O-CG 3.26Å; R779-L783 WeakPolarHBondContact O-CG 3.29Å; R779-L783 PolarHBondContact O-N 3.43Å; R779-L783 VanDerWaalsContact O-N 3.12Å; R779-D824 WeakPolarHBondContact CD-OD2 3.35Å; R779-D824 IonicContact CZ-OD1 3.97Å; R779-D824 IonicContact NH1-OD1 2.66Å; R779-D824 PolarHBondContact NH1-OD1 3.17Å; R779-D824 IonicContact NH1-OD2 3.84Å
780T89.9Confident87.6Confident4 Ų437.8 Ų37.83%0.02518%0.184CC..Hα-helixtrans-64.9-45179.553.90000110.8S776 E777 C782 L783 Q784 C827 F828S776-T780 WeakPolarHBondContact O-CG2 3.49Å; S776-T780 PolarHBondContact O-N 3.44Å; S776-T780 PolarHBondContact O-OG1 3.07Å; E777-T780 WeakPolarHBondContact CA-OG1 3.49Å; E777-T780 PolarHBondContact O-N 3.45Å; E777-T780 VanDerWaalsContact O-N 3.14Å; E777-T780 PolarHBondContact O-OG1 3.26Å; T780-C782 PolarHBondContact O-N 3.13Å; T780-L783 CarbonylContact O-C 3.55Å; T780-L783 WeakPolarHBondContact O-CA 3.43Å; T780-L783 WeakPolarHBondContact O-CB 3.35Å; T780-L783 PolarHBondContact O-N 3.22Å; T780-Q784 WeakPolarHBondContact O-CG 3.43Å; T780-Q784 PolarHBondContact O-N 3.07Å; T780-C827 HydrophobicContact CG2-CB 3.82Å; T780-F828 HydrophobicContact CG2-CD2 4.09Å; T780-F828 HydrophobicContact CG2-CE1 4.42Å; T780-F828 HydrophobicContact CG2-CE2 3.97Å; T780-F828 HydrophobicContact CG2-CG 4.36Å; T780-F828 HydrophobicContact CG2-CZ 4.14Å
781M90.4Very high87.9Confident1 Ų136.5 Ų36.51%0.00517%0.171CC..Hα-helixtrans-58.2-44.7176.7-67.6-61.3113.300112.7C736 A739 K740 E777 L783 Q784 V785 D833 L943C736-M781 HydrophobicContact CB-CG 4.22Å; A739-M781 HydrophobicContact CB-CB 3.97Å; K740-M781 HydrophobicContact CD-SD 4.35Å; E777-M781 HydrophobicContact CG-CG 4.38Å; E777-M781 WeakPolarHBondContact O-CB 3.48Å; E777-M781 VanDerWaalsContact O-CG 3.28Å; E777-M781 WeakPolarHBondContact O-CG 3.48Å; E777-M781 PolarHBondContact O-N 3.31Å; M781-L783 VanDerWaalsContact C-N 3.31Å; M781-L783 PolarHBondContact O-N 3.31Å; M781-Q784 WeakPolarHBondContact O-CB 3.43Å; M781-Q784 PolarHBondContact O-N 3.5Å; M781-Q784 PolarHBondContact SD-OE1 3.37Å; M781-V785 PolarHBondContact O-N 3.06Å; M781-D833 WeakPolarHBondContact CE-OD2 3.39Å; M781-L943 HydrophobicContact CG-CD1 4Å; M781-L943 HydrophobicContact SD-CD1 3.75Å
782C91.2Very high88.2Confident0 Ų032.9 Ų32.90%016%0.158CC..Hα-helixtrans-64.3-36.1176-710000112.5A765 L769 L778 R779 T780A765-C782 HydrophobicContact CB-CB 4.47Å; L769-C782 HydrophobicContact CD1-CB 3.96Å; L769-C782 HydrophobicContact CD2-CB 3.7Å; L769-C782 HydrophobicContact CG-CB 3.7Å; L778-C782 WeakPolarHBondContact O-CB 3.42Å; L778-C782 PolarHBondContact O-N 3.44Å; L778-C782 PolarHBondContact O-SG 3.31Å; R779-C782 PolarHBondContact O-N 2.93Å; T780-C782 PolarHBondContact O-N 3.13Å
783L91.2Very high88.7Confident1 Ų126.6 Ų26.61%0.00513%0.131CC..Hα-helixtrans-68.4-38175-69.2171000111.2L769 R779 T780 M781 V785 A786 I787 F817 F828L769-L783 HydrophobicContact CD1-CD2 3.96Å; L769-L783 HydrophobicContact CD1-CG 4.26Å; R779-L783 HydrophobicContact CG-CD1 4.41Å; R779-L783 VanDerWaalsContact O-CG 3.26Å; R779-L783 WeakPolarHBondContact O-CG 3.29Å; R779-L783 PolarHBondContact O-N 3.43Å; R779-L783 VanDerWaalsContact O-N 3.12Å; T780-L783 CarbonylContact O-C 3.55Å; T780-L783 WeakPolarHBondContact O-CA 3.43Å; T780-L783 WeakPolarHBondContact O-CB 3.35Å; T780-L783 PolarHBondContact O-N 3.22Å; M781-L783 VanDerWaalsContact C-N 3.31Å; M781-L783 PolarHBondContact O-N 3.31Å; L783-V785 VanDerWaalsContact C-N 3.32Å; L783-V785 PolarHBondContact O-N 2.98Å; L783-A786 WeakPolarHBondContact O-CB 3.41Å; L783-A786 PolarHBondContact O-N 3.43Å; L783-I787 HydrophobicContact CB-CD1 4.45Å; L783-I787 VanDerWaalsContact O-CG1 3.3Å; L783-I787 WeakPolarHBondContact O-CG1 3.34Å; L783-I787 PolarHBondContact O-N 3.3Å; L783-F817 HydrophobicContact CD2-CD2 3.69Å; L783-F817 HydrophobicContact CD2-CE2 3.73Å; L783-F828 HydrophobicContact CB-CZ 4.45Å
784Q91.1Very high88.9Confident1 Ų126.9 Ų26.91%0.00513%0.134CC..Hα-helixtrans-58.1-39.7177.9-75.3178.2-21.900113.2T780 M781 A786 I787 A788 F828 D833T780-Q784 WeakPolarHBondContact O-CG 3.43Å; T780-Q784 PolarHBondContact O-N 3.07Å; M781-Q784 WeakPolarHBondContact O-CB 3.43Å; M781-Q784 PolarHBondContact O-N 3.5Å; M781-Q784 PolarHBondContact SD-OE1 3.37Å; Q784-A786 PolarHBondContact O-N 3.46Å; Q784-I787 CarbonylContact O-C 3.59Å; Q784-I787 PolarHBondContact O-N 3.36Å; Q784-A788 WeakPolarHBondContact O-CB 3.48Å; Q784-A788 PolarHBondContact O-N 3.36Å; Q784-F828 HydrophobicContact CG-CD1 4.45Å; Q784-F828 HydrophobicContact CG-CE1 3.73Å; Q784-D833 PolarHBondContact NE2-OD1 3.38Å
785V93.4Very high89.4Confident0 Ų022.9 Ų22.90%013%0.126CC..Hα-helixtrans-54.8-41.4175179.40000111.5A739 L742 E743 I746 F761 A765 M781 L783 A789A739-V785 HydrophobicContact CB-CG2 4.14Å; A739-V785 WeakPolarHBondContact O-CG2 3.37Å; L742-V785 HydrophobicContact CB-CG1 4.22Å; L742-V785 HydrophobicContact CB-CG2 4.18Å; E743-V785 HydrophobicContact CB-CG2 4.46Å; I746-V785 HydrophobicContact CD1-CG1 3.94Å; F761-V785 HydrophobicContact CB-CG1 4.36Å; A765-V785 HydrophobicContact CB-CB 3.88Å; A765-V785 HydrophobicContact CB-CG1 4.02Å; A765-V785 HydrophobicContact CB-CG2 4.03Å; M781-V785 PolarHBondContact O-N 3.06Å; L783-V785 VanDerWaalsContact C-N 3.32Å; L783-V785 PolarHBondContact O-N 2.98Å; V785-A789 WeakPolarHBondContact O-CB 3.21Å; V785-A789 PolarHBondContact O-N 3.42Å; V785-A789 VanDerWaalsContact O-N 3.09Å
786A91.9Very high89.6Confident0 Ų021.9 Ų21.90%012%0.118CC..Hα-helixtrans-74.3-35.5176.300000112.6V762 L766 L783 Q784 A789 L790 L797 F817V762-A786 HydrophobicContact CG1-CB 4.43Å; L766-A786 HydrophobicContact CD2-CB 4.37Å; L783-A786 WeakPolarHBondContact O-CB 3.41Å; L783-A786 PolarHBondContact O-N 3.43Å; Q784-A786 PolarHBondContact O-N 3.46Å; A786-A789 PolarHBondContact O-N 2.99Å; A786-L790 PolarHBondContact O-N 3.03Å; A786-L797 HydrophobicContact CB-CD1 4.48Å; A786-L797 VanDerWaalsContact O-CD2 3.23Å; A786-L797 WeakPolarHBondContact O-CD2 3.3Å; A786-F817 HydrophobicContact CB-CD2 4.15Å; A786-F817 HydrophobicContact CB-CE1 4.47Å; A786-F817 HydrophobicContact CB-CE2 3.44Å; A786-F817 VanDerWaalsContact CB-CE2 3.44Å; A786-F817 HydrophobicContact CB-CZ 3.64Å
787I91.9Very high89.9Confident0 Ų019.4 Ų19.40%010%0.101CC..Hα-helixtrans-66.3-43.4175.6-62.2166.1000110.9L783 Q784 A789 L790 Y791 F817 W821 F828 I836L783-I787 HydrophobicContact CB-CD1 4.45Å; L783-I787 VanDerWaalsContact O-CG1 3.3Å; L783-I787 WeakPolarHBondContact O-CG1 3.34Å; L783-I787 PolarHBondContact O-N 3.3Å; Q784-I787 CarbonylContact O-C 3.59Å; Q784-I787 PolarHBondContact O-N 3.36Å; I787-A789 VanDerWaalsContact C-N 3.34Å; I787-A789 PolarHBondContact O-N 3.08Å; I787-L790 WeakPolarHBondContact O-CA 3.45Å; I787-L790 VanDerWaalsContact O-CB 3.25Å; I787-L790 WeakPolarHBondContact O-CB 3.33Å; I787-L790 PolarHBondContact O-N 3.24Å; I787-L790 VanDerWaalsContact O-N 3.1Å; I787-Y791 PolarHBondContact O-N 3.37Å; I787-F817 HydrophobicContact CG1-CZ 4.08Å; I787-W821 HydrophobicContact CD1-CD2 4.11Å; I787-W821 VanDerWaalsContact CD1-CE2 3.5Å; I787-W821 HydrophobicContact CD1-CG 4.24Å; I787-W821 HydrophobicContact CD1-CZ2 3.91Å; I787-W821 VanDerWaalsContact CD1-NE1 3.26Å; I787-W821 HydrophobicContact CG1-CD2 4.16Å; I787-W821 HydrophobicContact CG1-CH2 4.36Å; I787-W821 HydrophobicContact CG1-CZ2 3.9Å; I787-W821 HydrophobicContact CG2-CH2 4.47Å; I787-W821 HydrophobicContact CG2-CZ2 4.1Å; I787-F828 HydrophobicContact CD1-CE1 4.15Å; I787-F828 HydrophobicContact CD1-CZ 3.98Å; I787-I836 HydrophobicContact CB-CG2 4.39Å; I787-I836 HydrophobicContact CG2-CG2 3.8Å; I787-I836 WeakPolarHBondContact CG2-O 3.5Å
788A91.3Very high90Very high0 Ų017.3 Ų17.30%09%0.091CC..Hα-helixtrans-61.9-41.2173.300000111.4E743 I746 L747 Q784 L790 Y791 Y792E743-A788 HydrophobicContact CG-CB 3.69Å; I746-A788 HydrophobicContact CG2-CB 4.13Å; L747-A788 HydrophobicContact CD1-CB 4.48Å; L747-A788 HydrophobicContact CD2-CB 3.84Å; L747-A788 HydrophobicContact CG-CB 4.03Å; Q784-A788 WeakPolarHBondContact O-CB 3.48Å; Q784-A788 PolarHBondContact O-N 3.36Å; A788-L790 VanDerWaalsContact C-N 3.3Å; A788-L790 PolarHBondContact O-N 3.43Å; A788-Y791 PolarHBondContact O-N 3.49Å; A788-Y792 WeakPolarHBondContact O-CB 3.11Å; A788-Y792 PolarHBondContact O-N 3.27Å
789A91.1Very high89.9Confident1 Ų121.5 Ų21.51%0.00811%0.114CC..Hα-helixtrans-63.1-34.3172.700000112.8I746 V758 V762 V785 A786 I787 Y792 S793 L797I746-A789 HydrophobicContact CD1-CB 4.42Å; V758-A789 HydrophobicContact CG1-CB 3.78Å; V762-A789 HydrophobicContact CG2-CB 3.63Å; V785-A789 WeakPolarHBondContact O-CB 3.21Å; V785-A789 PolarHBondContact O-N 3.42Å; V785-A789 VanDerWaalsContact O-N 3.09Å; A786-A789 PolarHBondContact O-N 2.99Å; I787-A789 VanDerWaalsContact C-N 3.34Å; I787-A789 PolarHBondContact O-N 3.08Å; A789-Y792 PolarHBondContact O-N 3.32Å; A789-S793 CarbonylContact O-C 3.32Å; A789-S793 PolarHBondContact O-N 2.89Å; A789-L797 HydrophobicContact CB-CD1 4.06Å
790L90.6Very high89.8Confident2 Ų218.9 Ų18.91%0.0111%0.105CC..Hα-helixtrans-64.5-44.3173.3-175.763.8000110.5A786 I787 A788 Y792 P794 L797 W821 G840 A843 L844A786-L790 PolarHBondContact O-N 3.03Å; I787-L790 WeakPolarHBondContact O-CA 3.45Å; I787-L790 VanDerWaalsContact O-CB 3.25Å; I787-L790 WeakPolarHBondContact O-CB 3.33Å; I787-L790 PolarHBondContact O-N 3.24Å; I787-L790 VanDerWaalsContact O-N 3.1Å; A788-L790 VanDerWaalsContact C-N 3.3Å; A788-L790 PolarHBondContact O-N 3.43Å; L790-Y792 VanDerWaalsContact C-N 3.35Å; L790-P794 HydrophobicContact CD1-CB 3.94Å; L790-P794 HydrophobicContact CD1-CG 4.48Å; L790-P794 WeakPolarHBondContact O-CD 3.23Å; L790-P794 VanDerWaalsContact O-CG 3.26Å; L790-P794 WeakPolarHBondContact O-CG 3.34Å; L790-L797 HydrophobicContact CB-CD2 3.49Å; L790-L797 VanDerWaalsContact CB-CD2 3.49Å; L790-L797 HydrophobicContact CD1-CD2 3.94Å; L790-L797 HydrophobicContact CG-CD2 4.24Å; L790-W821 HydrophobicContact CD2-CH2 4.29Å; L790-W821 HydrophobicContact CD2-CZ3 4.18Å; L790-G840 VanDerWaalsContact CD2-O 3.28Å; L790-G840 WeakPolarHBondContact CD2-O 3.49Å; L790-A843 HydrophobicContact CG-CB 4.12Å; L790-L844 HydrophobicContact CD1-CD1 4.48Å; L790-L844 HydrophobicContact CD2-CB 4.09Å; L790-L844 HydrophobicContact CD2-CD1 4.07Å
791Y89.7Confident89.6Confident47 Ų4718.7 Ų18.718%0.18411%0.105CC..Hα-helixtrans-68.5-32.1176.8-179.2-118.8000112.9L747 K750 I787 A788 L839 V950L747-Y791 HydrophobicContact CD2-CD1 3.96Å; K750-Y791 HydrophobicContact CD-CD1 4.45Å; K750-Y791 HydrophobicContact CD-CE1 4.18Å; K750-Y791 WeakPolarHBondContact CE-O 3.39Å; K750-Y791 VanDerWaalsContact NZ-CD1 3.34Å; K750-Y791 PolarHBondContact NZ-O 3.38Å; I787-Y791 PolarHBondContact O-N 3.37Å; A788-Y791 PolarHBondContact O-N 3.49Å; Y791-L839 HydrophobicContact CD2-CB 4.04Å; Y791-L839 HydrophobicContact CE1-CD1 4.41Å; Y791-L839 HydrophobicContact CE2-CB 4.22Å; Y791-L839 HydrophobicContact CE2-CD1 4.36Å; Y791-L839 HydrophobicContact CE2-CD2 4.41Å; Y791-L839 HydrophobicContact CG-CB 4.48Å; Y791-V950 HydrophobicContact CE1-CG2 4.1Å
792Y88.8Confident89.3Confident26 Ų2623.5 Ų23.510%0.10213%0.127CC..Hα-helixtrans-67-57.2174.7176.6-87.3000111.5I746 K750 I754 D755 V758 A788 A789 L790 L796I746-Y792 HydrophobicContact CG2-CD2 4.3Å; I746-Y792 HydrophobicContact CG2-CG 4.22Å; K750-Y792 HydrophobicContact CB-CD2 4.11Å; K750-Y792 HydrophobicContact CB-CE2 4.47Å; K750-Y792 HydrophobicContact CG-CD2 3.97Å; K750-Y792 HydrophobicContact CG-CE2 4.48Å; I754-Y792 HydrophobicContact CD1-CE2 4.03Å; I754-Y792 HydrophobicContact CG1-CE2 3.73Å; D755-Y792 VanDerWaalsContact OD1-CE1 3.23Å; D755-Y792 WeakPolarHBondContact OD1-CE1 3.34Å; D755-Y792 VanDerWaalsContact OD1-CZ 3.32Å; D755-Y792 PolarHBondContact OD1-OH 3.48Å; V758-Y792 HydrophobicContact CG2-CD1 4.38Å; V758-Y792 HydrophobicContact CG2-CE1 4.29Å; A788-Y792 WeakPolarHBondContact O-CB 3.11Å; A788-Y792 PolarHBondContact O-N 3.27Å; A789-Y792 PolarHBondContact O-N 3.32Å; L790-Y792 VanDerWaalsContact C-N 3.35Å; Y792-L796 HydrophobicContact CD1-CD2 4.48Å; Y792-L796 HydrophobicContact CE1-CD2 4.25Å
793S89.1Confident88.8Confident30 Ų3028.9 Ų28.921%0.2116%0.156CC..  trans-156.799.6179.6-177.30000110.9A789 P795 L796 L797A789-S793 CarbonylContact O-C 3.32Å; A789-S793 PolarHBondContact O-N 2.89Å; S793-P795 VanDerWaalsContact C-CD 3.45Å; S793-L796 WeakPolarHBondContact O-CB 3.26Å; S793-L796 PolarHBondContact O-N 3.25Å; S793-L796 VanDerWaalsContact O-N 3.12Å; S793-L797 PolarHBondContact O-N 2.87Å; S793-L797 VanDerWaalsContact O-N 3.15Å
794P87.4Confident88.4Confident33 Ų3330.7 Ų30.721%0.21417%0.165CC..Hα-helixtrans-54-44178.1-20.727.8000115.2L790 L796 L797 L798 L847L790-P794 HydrophobicContact CD1-CB 3.94Å; L790-P794 HydrophobicContact CD1-CG 4.48Å; L790-P794 WeakPolarHBondContact O-CD 3.23Å; L790-P794 VanDerWaalsContact O-CG 3.26Å; L790-P794 WeakPolarHBondContact O-CG 3.34Å; P794-L796 VanDerWaalsContact C-N 3.29Å; P794-L796 PolarHBondContact O-N 3.44Å; P794-L797 PolarHBondContact O-N 2.85Å; P794-L798 VanDerWaalsContact O-CG 3.3Å; P794-L798 WeakPolarHBondContact O-CG 3.28Å; P794-L798 PolarHBondContact O-N 3.18Å; P794-L847 HydrophobicContact CB-CD2 3.59Å; P794-L847 HydrophobicContact CG-CD2 4.49Å
795P88Confident87.6Confident92 Ų9236.8 Ų36.860%0.59719%0.188SC*.Hα-helixtrans-67.1-30.9-179.826.3-33.9000112.5S793 N799S793-P795 VanDerWaalsContact C-CD 3.45Å; P795-N799 WeakPolarHBondContact O-CB 3.22Å; P795-N799 PolarHBondContact O-N 2.95Å; P795-N799 VanDerWaalsContact O-N 3.16Å
796L88.6Confident86.4Confident33 Ų3338.5 Ų38.517%0.17320%0.195CC..Hα-helixtrans-68.3-48.3177.6-178.361.7000110.7D755 V758 P759 Y792 S793 P794 N799 T800D755-L796 HydrophobicContact CB-CD2 4.13Å; V758-L796 HydrophobicContact CB-CD2 4Å; V758-L796 HydrophobicContact CG1-CD2 4.14Å; V758-L796 HydrophobicContact CG2-CD2 4.49Å; P759-L796 HydrophobicContact CG-CD1 4.17Å; Y792-L796 HydrophobicContact CD1-CD2 4.48Å; Y792-L796 HydrophobicContact CE1-CD2 4.25Å; S793-L796 WeakPolarHBondContact O-CB 3.26Å; S793-L796 PolarHBondContact O-N 3.25Å; S793-L796 VanDerWaalsContact O-N 3.12Å; P794-L796 VanDerWaalsContact C-N 3.29Å; P794-L796 PolarHBondContact O-N 3.44Å; L796-N799 PolarHBondContact O-N 3.36Å; L796-T800 PolarHBondContact O-N 3.19Å; L796-T800 PolarHBondContact O-OG1 2.75Å
797L89Confident84.8Confident3 Ų343.2 Ų43.22%0.01623%0.226CC..Hα-helixtrans-61.2-47.8177.817867.6000111.5V762 A786 A789 L790 S793 P794 N799 T800 L801V762-L797 HydrophobicContact CG1-CD1 3.87Å; V762-L797 HydrophobicContact CG2-CD1 4.02Å; A786-L797 HydrophobicContact CB-CD1 4.48Å; A786-L797 VanDerWaalsContact O-CD2 3.23Å; A786-L797 WeakPolarHBondContact O-CD2 3.3Å; A789-L797 HydrophobicContact CB-CD1 4.06Å; L790-L797 HydrophobicContact CB-CD2 3.49Å; L790-L797 VanDerWaalsContact CB-CD2 3.49Å; L790-L797 HydrophobicContact CD1-CD2 3.94Å; L790-L797 HydrophobicContact CG-CD2 4.24Å; S793-L797 PolarHBondContact O-N 2.87Å; S793-L797 VanDerWaalsContact O-N 3.15Å; P794-L797 PolarHBondContact O-N 2.85Å; L797-N799 VanDerWaalsContact C-N 3.3Å; L797-N799 PolarHBondContact O-N 2.83Å; L797-T800 WeakPolarHBondContact O-CA 3.21Å; L797-T800 WeakPolarHBondContact O-CB 3.33Å; L797-T800 PolarHBondContact O-N 2.92Å; L797-L801 HydrophobicContact CD1-CD1 4.06Å; L797-L801 HydrophobicContact CD1-CD2 4.31Å; L797-L801 HydrophobicContact CD1-CG 3.92Å; L797-L801 HydrophobicContact CD2-CD1 4.2Å; L797-L801 HydrophobicContact CG-CD1 3.81Å; L797-L801 HydrophobicContact CG-CG 4.07Å; L797-L801 WeakPolarHBondContact O-CG 3.25Å; L797-L801 PolarHBondContact O-N 3.32Å
798L87.4Confident83.1Confident21 Ų2151.6 Ų51.611%0.1127%0.271CS..Hα-helixtrans-59-43.1-179-70.7177.1000111.6P794 L801 E802 T814 L847 P851P794-L798 VanDerWaalsContact O-CG 3.3Å; P794-L798 WeakPolarHBondContact O-CG 3.28Å; P794-L798 PolarHBondContact O-N 3.18Å; L798-L801 PolarHBondContact O-N 3.39Å; L798-E802 WeakPolarHBondContact O-CB 3.41Å; L798-E802 WeakPolarHBondContact O-CG 3.35Å; L798-E802 PolarHBondContact O-N 3.26Å; L798-T814 HydrophobicContact CD2-CG2 4.29Å; L798-L847 HydrophobicContact CD1-CD1 4.03Å; L798-L847 HydrophobicContact CD1-CD2 4.11Å; L798-P851 HydrophobicContact CD1-CG 4.18Å; L798-P851 HydrophobicContact CD2-CG 3.65Å
799N87.5Confident81.7Confident88 Ų8855.7 Ų55.747%0.47129%0.293SS..Hα-helixtrans-64.1-39.8174.9-17221.7000111.8P795 L796 L797 E802 N803P795-N799 WeakPolarHBondContact O-CB 3.22Å; P795-N799 PolarHBondContact O-N 2.95Å; P795-N799 VanDerWaalsContact O-N 3.16Å; L796-N799 PolarHBondContact O-N 3.36Å; L797-N799 VanDerWaalsContact C-N 3.3Å; L797-N799 PolarHBondContact O-N 2.83Å; N799-E802 PolarHBondContact O-N 3.04Å; N799-N803 WeakPolarHBondContact O-CB 3.46Å; N799-N803 PolarHBondContact O-N 3.29Å; N799-N803 VanDerWaalsContact O-N 3.17Å; N799-N803 PolarHBondContact O-ND2 3.11Å; N799-N803 PolarHBondContact OD1-ND2 2.88Å
800T87.3Confident80.1Confident13 Ų1362 Ų628%0.0833%0.332CS..Hα-helixtrans-60.7-51.1174.1-63.70000111.7P759 V762 L796 L797 E802 N803 L804P759-T800 HydrophobicContact CB-CG2 4Å; V762-T800 HydrophobicContact CB-CG2 4.39Å; V762-T800 HydrophobicContact CG1-CG2 4.24Å; L796-T800 PolarHBondContact O-N 3.19Å; L796-T800 PolarHBondContact O-OG1 2.75Å; L797-T800 WeakPolarHBondContact O-CA 3.21Å; L797-T800 WeakPolarHBondContact O-CB 3.33Å; L797-T800 PolarHBondContact O-N 2.92Å; T800-E802 VanDerWaalsContact C-N 3.29Å; T800-E802 PolarHBondContact O-N 3.44Å; T800-N803 PolarHBondContact O-N 2.74Å; T800-N803 VanDerWaalsContact O-N 3.08Å; T800-L804 HydrophobicContact CG2-CD1 3.6Å; T800-L804 HydrophobicContact CG2-CG 4.06Å; T800-L804 WeakPolarHBondContact O-CG 3.29Å; T800-L804 PolarHBondContact O-N 2.68Å
801L85.9Confident79Confident1 Ų167.5 Ų67.51%0.00536%0.357CS..Hα-helixtrans-63.5-33.4-179.8-66176.7000112.5V762 L766 L797 L798 N803 I813 T814 F817V762-L801 HydrophobicContact CG1-CD2 4.39Å; L766-L801 HydrophobicContact CD1-CD2 3.55Å; L797-L801 HydrophobicContact CD1-CD1 4.06Å; L797-L801 HydrophobicContact CD1-CD2 4.31Å; L797-L801 HydrophobicContact CD1-CG 3.92Å; L797-L801 HydrophobicContact CD2-CD1 4.2Å; L797-L801 HydrophobicContact CG-CD1 3.81Å; L797-L801 HydrophobicContact CG-CG 4.07Å; L797-L801 WeakPolarHBondContact O-CG 3.25Å; L797-L801 PolarHBondContact O-N 3.32Å; L798-L801 PolarHBondContact O-N 3.39Å; L801-N803 VanDerWaalsContact C-N 3.32Å; L801-I813 HydrophobicContact CD2-CG2 4.37Å; L801-T814 WeakPolarHBondContact CB-OG1 3.15Å; L801-T814 HydrophobicContact CD1-CG2 4.38Å; L801-F817 HydrophobicContact CD1-CD1 3.99Å
802E82.4Confident78Confident101 Ų10167.8 Ų67.847%0.47237%0.365SS..Hα-helixtrans-71.4-24.5175.1-79-175.9-173.900113.4L798 N799 T800 R805L798-E802 WeakPolarHBondContact O-CB 3.41Å; L798-E802 WeakPolarHBondContact O-CG 3.35Å; L798-E802 PolarHBondContact O-N 3.26Å; N799-E802 PolarHBondContact O-N 3.04Å; T800-E802 VanDerWaalsContact C-N 3.29Å; T800-E802 PolarHBondContact O-N 3.44Å; E802-R805 VanDerWaalsContact O-CZ 3.24Å; E802-R805 PolarHBondContact O-NH1 3.33Å; E802-R805 PolarHBondContact O-NH2 3.21Å
803N82.3Confident77.6Confident113 Ų11367 Ų6760%0.60436%0.363SS*.Hα-helixtrans-97.3-26.1-179.9-70.5-46.4000113.6N799 T800 L801N799-N803 WeakPolarHBondContact O-CB 3.46Å; N799-N803 PolarHBondContact O-N 3.29Å; N799-N803 VanDerWaalsContact O-N 3.17Å; N799-N803 PolarHBondContact O-ND2 3.11Å; N799-N803 PolarHBondContact OD1-ND2 2.88Å; T800-N803 PolarHBondContact O-N 2.74Å; T800-N803 VanDerWaalsContact O-N 3.08Å; L801-N803 VanDerWaalsContact C-N 3.32Å
804L81.4Confident77.3Confident39 Ų3965.9 Ų65.920%0.20435%0.354CS..  trans-68.9136.6177.6-74.6172.9000111.2V762 A763 T800 I813V762-L804 HydrophobicContact CG1-CD1 4.43Å; A763-L804 HydrophobicContact CB-CD1 4.18Å; A763-L804 HydrophobicContact CB-CD2 3.71Å; T800-L804 HydrophobicContact CG2-CD1 3.6Å; T800-L804 HydrophobicContact CG2-CG 4.06Å; T800-L804 WeakPolarHBondContact O-CG 3.29Å; T800-L804 PolarHBondContact O-N 2.68Å; L804-I813 VanDerWaalsContact C-CD1 3.49Å; L804-I813 HydrophobicContact CB-CD1 3.45Å; L804-I813 VanDerWaalsContact CB-CD1 3.45Å; L804-I813 WeakPolarHBondContact O-CD1 3.26Å
805R74Confident76.9Confident130 Ų13066.9 Ų66.949%0.49136%0.358SS..  trans-137118.9177-64.8-68.5179.2-79.1-7108.5E802E802-R805 VanDerWaalsContact O-CZ 3.24Å; E802-R805 PolarHBondContact O-NH1 3.33Å; E802-R805 PolarHBondContact O-NH2 3.21Å
806F68.5Low76.6Confident35 Ų3567.3 Ų67.315%0.15435%0.352CS..  trans-83.5153.6175.9-68-53000112.1L766 E767 T770 N808 N809 I813L766-F806 VanDerWaalsContact C-CZ 3.4Å; L766-F806 HydrophobicContact CB-CE2 4.2Å; L766-F806 HydrophobicContact CB-CZ 3.54Å; L766-F806 VanDerWaalsContact O-CZ 3.3Å; L766-F806 WeakPolarHBondContact O-CZ 3.48Å; E767-F806 HydrophobicContact CB-CE1 3.95Å; T770-F806 HydrophobicContact CG2-CB 4.06Å; T770-F806 HydrophobicContact CG2-CD1 3.67Å; T770-F806 HydrophobicContact CG2-CD2 3.8Å; T770-F806 HydrophobicContact CG2-CE1 4.08Å; T770-F806 HydrophobicContact CG2-CE2 4.16Å; T770-F806 HydrophobicContact CG2-CG 3.57Å; T770-F806 HydrophobicContact CG2-CZ 4.33Å; F806-N808 PolarHBondContact O-N 3.42Å; F806-N809 PolarHBondContact O-N 3.36Å; F806-I813 HydrophobicContact CD1-CD1 4.49Å; F806-I813 HydrophobicContact CD2-CD1 3.35Å; F806-I813 HydrophobicContact CD2-CG1 3.59Å; F806-I813 HydrophobicContact CE1-CD1 4.34Å; F806-I813 HydrophobicContact CE2-CB 4.39Å; F806-I813 HydrophobicContact CE2-CD1 3.19Å; F806-I813 HydrophobicContact CE2-CG1 3.61Å; F806-I813 HydrophobicContact CE2-CG2 3.85Å; F806-I813 HydrophobicContact CG-CD1 4Å; F806-I813 HydrophobicContact CZ-CD1 3.7Å
807P58.1Low76.5Confident100 Ų10066.1 Ų66.165%0.64935%0.345SS*.THydrogen-bonded Turntrans-54.7128.2168-18.530.7000109.1
808N57.2Low76.3Confident175 Ų17566.1 Ų66.194%0.93635%0.345SS*.THydrogen-bonded Turntrans88.4-2.6178.5-45.4-34.1000118.3F806F806-N808 PolarHBondContact O-N 3.42Å
809N60.9Low76.2Confident86 Ų8667.7 Ų67.746%0.4636%0.358SS..  trans-131.4128176.3-150.5-12.2000113.1F806F806-N809 PolarHBondContact O-N 3.36Å
810T58.3Low76.1Confident134 Ų13465.5 Ų65.582%0.82235%0.345SS*.  trans-92.8-11.2-179.251.10000113.6
811E67.1Low76.1Confident118 Ų11864.9 Ų64.955%0.55134%0.341SS*.SBendtrans-82.9151.3178.5-65.9-167.8171.800111.8
812P68.1Low76.2Confident52 Ų5265.9 Ų65.934%0.33835%0.346SS..  trans-61.6137.3172.425.8-33000110.9T814P812-T814 PolarHBondContact O-N 2.96Å; P812-T814 VanDerWaalsContact O-N 3.14Å
813I81.4Confident76.4Confident11 Ų1168.1 Ų68.16%0.05635%0.354CS..THydrogen-bonded Turntrans-66.1-19.5-174-66.5154.2000111.9L766 L801 L804 F806 N815 H816 F817L766-I813 HydrophobicContact CD1-CG2 4.34Å; L801-I813 HydrophobicContact CD2-CG2 4.37Å; L804-I813 VanDerWaalsContact C-CD1 3.49Å; L804-I813 HydrophobicContact CB-CD1 3.45Å; L804-I813 VanDerWaalsContact CB-CD1 3.45Å; L804-I813 WeakPolarHBondContact O-CD1 3.26Å; F806-I813 HydrophobicContact CD1-CD1 4.49Å; F806-I813 HydrophobicContact CD2-CD1 3.35Å; F806-I813 HydrophobicContact CD2-CG1 3.59Å; F806-I813 HydrophobicContact CE1-CD1 4.34Å; F806-I813 HydrophobicContact CE2-CB 4.39Å; F806-I813 HydrophobicContact CE2-CD1 3.19Å; F806-I813 HydrophobicContact CE2-CG1 3.61Å; F806-I813 HydrophobicContact CE2-CG2 3.85Å; F806-I813 HydrophobicContact CG-CD1 4Å; F806-I813 HydrophobicContact CZ-CD1 3.7Å; I813-N815 VanDerWaalsContact C-N 3.25Å; I813-N815 PolarHBondContact O-N 3.25Å; I813-N815 VanDerWaalsContact O-N 3.13Å; I813-H816 WeakPolarHBondContact O-CA 3.38Å; I813-H816 WeakPolarHBondContact O-CB 2.97Å; I813-H816 PolarHBondContact O-N 2.93Å; I813-F817 HydrophobicContact CG2-CB 4.47Å; I813-F817 PolarHBondContact O-N 3.42Å
814T81.7Confident76.6Confident6 Ų663.3 Ų63.34%0.03733%0.329CS..Hα-helixtrans-48.3-43179.8-41.70000113.4L798 L801 P812 I818 P851L798-T814 HydrophobicContact CD2-CG2 4.29Å; L801-T814 WeakPolarHBondContact CB-OG1 3.15Å; L801-T814 HydrophobicContact CD1-CG2 4.38Å; P812-T814 PolarHBondContact O-N 2.96Å; P812-T814 VanDerWaalsContact O-N 3.14Å; T814-I818 HydrophobicContact CG2-CD1 3.96Å; T814-I818 WeakPolarHBondContact O-CD1 3.46Å; T814-I818 WeakPolarHBondContact O-CG1 3.42Å; T814-I818 PolarHBondContact O-N 3.23Å; T814-I818 VanDerWaalsContact O-N 3.16Å; T814-P851 HydrophobicContact CG2-CB 4.42Å; T814-P851 HydrophobicContact CG2-CG 4.45Å
815N80.8Confident76.9Confident53 Ų5361.8 Ų61.828%0.28332%0.321SS..Hα-helixtrans-67.5-42.8178-74.6-9.4000112I813 S819 A853I813-N815 VanDerWaalsContact C-N 3.25Å; I813-N815 PolarHBondContact O-N 3.25Å; I813-N815 VanDerWaalsContact O-N 3.13Å; N815-S819 VanDerWaalsContact O-CB 3.28Å; N815-S819 WeakPolarHBondContact O-CB 3.48Å; N815-S819 PolarHBondContact O-N 3.12Å; N815-S819 PolarHBondContact O-OG 3.23Å; N815-A853 WeakPolarHBondContact OD1-CA 3.19Å; N815-A853 WeakPolarHBondContact OD1-CB 2.89Å
816H81.5Confident77.4Confident102 Ų10260.5 Ų60.547%0.47232%0.324SS..Hα-helixtrans-67.2-47.4-178.8-177.759.1000110.8I813 S819 Q820I813-H816 WeakPolarHBondContact O-CA 3.38Å; I813-H816 WeakPolarHBondContact O-CB 2.97Å; I813-H816 PolarHBondContact O-N 2.93Å; H816-S819 PolarHBondContact O-N 3.48Å; H816-Q820 VanDerWaalsContact O-CB 3.23Å; H816-Q820 WeakPolarHBondContact O-CB 3.39Å; H816-Q820 PolarHBondContact O-N 3.14Å
817F85.4Confident78.2Confident7 Ų760.7 Ų60.73%0.03133%0.329CS..Hα-helixtrans-55.9-53.2175.8169.8-109.9000112L766 L783 A786 I787 L801 I813 S819 Q820 W821L766-F817 HydrophobicContact CD2-CD2 4.21Å; L783-F817 HydrophobicContact CD2-CD2 3.69Å; L783-F817 HydrophobicContact CD2-CE2 3.73Å; A786-F817 HydrophobicContact CB-CD2 4.15Å; A786-F817 HydrophobicContact CB-CE1 4.47Å; A786-F817 HydrophobicContact CB-CE2 3.44Å; A786-F817 VanDerWaalsContact CB-CE2 3.44Å; A786-F817 HydrophobicContact CB-CZ 3.64Å; I787-F817 HydrophobicContact CG1-CZ 4.08Å; L801-F817 HydrophobicContact CD1-CD1 3.99Å; I813-F817 HydrophobicContact CG2-CB 4.47Å; I813-F817 PolarHBondContact O-N 3.42Å; F817-S819 VanDerWaalsContact C-N 3.34Å; F817-S819 PolarHBondContact O-N 3.44Å; F817-Q820 PolarHBondContact O-N 3.02Å; F817-W821 HydrophobicContact CE1-CE3 4.12Å; F817-W821 HydrophobicContact CZ-CE3 4.15Å; F817-W821 VanDerWaalsContact O-CB 3.22Å; F817-W821 WeakPolarHBondContact O-CB 3.42Å; F817-W821 PolarHBondContact O-N 3.5Å
818I85.7Confident79.4Confident3 Ų356 Ų562%0.01530%0.298CS..Hα-helixtrans-64.5-39.3-178.3-67.4165.8000111.5T814 L822 A853 V854 V857T814-I818 HydrophobicContact CG2-CD1 3.96Å; T814-I818 WeakPolarHBondContact O-CD1 3.46Å; T814-I818 WeakPolarHBondContact O-CG1 3.42Å; T814-I818 PolarHBondContact O-N 3.23Å; T814-I818 VanDerWaalsContact O-N 3.16Å; I818-L822 HydrophobicContact CG2-CD1 4.13Å; I818-L822 WeakPolarHBondContact O-CB 3.43Å; I818-L822 WeakPolarHBondContact O-CG 3.4Å; I818-L822 PolarHBondContact O-N 2.68Å; I818-L822 VanDerWaalsContact O-N 3.09Å; I818-A853 HydrophobicContact CD1-CB 3.68Å; I818-V854 HydrophobicContact CD1-CG2 3.68Å; I818-V857 HydrophobicContact CG2-CG1 4.48Å; I818-V857 HydrophobicContact CG2-CG2 3.67Å
819S84.6Confident80.5Confident55 Ų5550.3 Ų50.339%0.38527%0.268SS..Hα-helixtrans-70.8-36179.5-560000112.5N815 H816 F817 K823N815-S819 VanDerWaalsContact O-CB 3.28Å; N815-S819 WeakPolarHBondContact O-CB 3.48Å; N815-S819 PolarHBondContact O-N 3.12Å; N815-S819 PolarHBondContact O-OG 3.23Å; H816-S819 PolarHBondContact O-N 3.48Å; F817-S819 VanDerWaalsContact C-N 3.34Å; F817-S819 PolarHBondContact O-N 3.44Å; S819-K823 VanDerWaalsContact O-CG 3.27Å; S819-K823 WeakPolarHBondContact O-CG 3.39Å; S819-K823 PolarHBondContact O-N 3.47Å
820Q84.5Confident81.4Confident41 Ų4146.2 Ų46.219%0.19225%0.246CC..Hα-helixtrans-71.7-48.2177.4-169.764.629.200110.1H816 F817 L822 K823 D824H816-Q820 VanDerWaalsContact O-CB 3.23Å; H816-Q820 WeakPolarHBondContact O-CB 3.39Å; H816-Q820 PolarHBondContact O-N 3.14Å; F817-Q820 PolarHBondContact O-N 3.02Å; Q820-L822 VanDerWaalsContact C-N 3.3Å; Q820-L822 PolarHBondContact O-N 3.12Å; Q820-K823 WeakPolarHBondContact O-CB 3.23Å; Q820-K823 PolarHBondContact O-N 3.08Å; Q820-D824 WeakPolarHBondContact CG-OD2 3.37Å; Q820-D824 PolarHBondContact NE2-OD2 3.08Å; Q820-D824 PolarHBondContact O-N 3.37Å; Q820-D824 VanDerWaalsContact O-N 3.09Å
821W89.2Confident82.6Confident0 Ų040.9 Ų40.90%021%0.212CC..Hα-helixtrans-54-45.3176178.425.4000112.2I787 L790 F817 K823 D824 V825 C837 L841 L844I787-W821 HydrophobicContact CD1-CD2 4.11Å; I787-W821 VanDerWaalsContact CD1-CE2 3.5Å; I787-W821 HydrophobicContact CD1-CG 4.24Å; I787-W821 HydrophobicContact CD1-CZ2 3.91Å; I787-W821 VanDerWaalsContact CD1-NE1 3.26Å; I787-W821 HydrophobicContact CG1-CD2 4.16Å; I787-W821 HydrophobicContact CG1-CH2 4.36Å; I787-W821 HydrophobicContact CG1-CZ2 3.9Å; I787-W821 HydrophobicContact CG2-CH2 4.47Å; I787-W821 HydrophobicContact CG2-CZ2 4.1Å; L790-W821 HydrophobicContact CD2-CH2 4.29Å; L790-W821 HydrophobicContact CD2-CZ3 4.18Å; F817-W821 HydrophobicContact CE1-CE3 4.12Å; F817-W821 HydrophobicContact CZ-CE3 4.15Å; F817-W821 VanDerWaalsContact O-CB 3.22Å; F817-W821 WeakPolarHBondContact O-CB 3.42Å; F817-W821 PolarHBondContact O-N 3.5Å; W821-K823 VanDerWaalsContact C-N 3.29Å; W821-K823 PolarHBondContact O-N 2.99Å; W821-D824 PolarHBondContact O-N 3.3Å; W821-V825 WeakPolarHBondContact O-CG2 3.34Å; W821-V825 PolarHBondContact O-N 3.41Å; W821-C837 PolarHBondContact NE1-SG 3.05Å; W821-L841 HydrophobicContact CH2-CB 4.48Å; W821-L841 HydrophobicContact CH2-CD2 3.61Å; W821-L841 HydrophobicContact CH2-CG 3.84Å; W821-L841 HydrophobicContact CZ2-CD2 3.74Å; W821-L841 HydrophobicContact CZ2-CG 3.69Å; W821-L841 HydrophobicContact CZ3-CD2 4.11Å; W821-L844 HydrophobicContact CZ3-CD2 4.18Å
822L87.3Confident83.5Confident23 Ų2335.6 Ų35.612%0.1219%0.187CC..Hα-helixtrans-70.4-20.8178.2-71.9176000114.8I818 Q820 V825 L841 V857 Q860 L861 A864I818-L822 HydrophobicContact CG2-CD1 4.13Å; I818-L822 WeakPolarHBondContact O-CB 3.43Å; I818-L822 WeakPolarHBondContact O-CG 3.4Å; I818-L822 PolarHBondContact O-N 2.68Å; I818-L822 VanDerWaalsContact O-N 3.09Å; Q820-L822 VanDerWaalsContact C-N 3.3Å; Q820-L822 PolarHBondContact O-N 3.12Å; L822-V825 HydrophobicContact CD2-CG2 4.35Å; L822-L841 HydrophobicContact CD2-CD2 4.37Å; L822-V857 HydrophobicContact CD1-CB 3.57Å; L822-V857 HydrophobicContact CD1-CG1 3.99Å; L822-V857 HydrophobicContact CD1-CG2 3.68Å; L822-Q860 HydrophobicContact CD1-CB 4.33Å; L822-L861 HydrophobicContact CD1-CD2 4.07Å; L822-L861 HydrophobicContact CD2-CD2 4.04Å; L822-A864 HydrophobicContact CD2-CB 3.9Å
823K86.8Confident84.4Confident147 Ų14733.3 Ų33.364%0.63917%0.172SC*.Hα-helixtrans-81.1-33.8175.7-78.6173.6-178.7-1770112.7S819 Q820 W821S819-K823 VanDerWaalsContact O-CG 3.27Å; S819-K823 WeakPolarHBondContact O-CG 3.39Å; S819-K823 PolarHBondContact O-N 3.47Å; Q820-K823 WeakPolarHBondContact O-CB 3.23Å; Q820-K823 PolarHBondContact O-N 3.08Å; W821-K823 VanDerWaalsContact C-N 3.29Å; W821-K823 PolarHBondContact O-N 2.99Å
824D86.8Confident84.7Confident12 Ų1233.6 Ų33.66%0.06417%0.173CC..SBendtrans-98.718.4-175.9-56.6-50.7000112R779 Q820 W821 D826 C827 F828R779-D824 WeakPolarHBondContact CD-OD2 3.35Å; R779-D824 IonicContact CZ-OD1 3.97Å; R779-D824 IonicContact NH1-OD1 2.66Å; R779-D824 PolarHBondContact NH1-OD1 3.17Å; R779-D824 IonicContact NH1-OD2 3.84Å; Q820-D824 WeakPolarHBondContact CG-OD2 3.37Å; Q820-D824 PolarHBondContact NE2-OD2 3.08Å; Q820-D824 PolarHBondContact O-N 3.37Å; Q820-D824 VanDerWaalsContact O-N 3.09Å; W821-D824 PolarHBondContact O-N 3.3Å; D824-D826 VanDerWaalsContact C-N 3.28Å; D824-D826 PolarHBondContact O-N 3.38Å; D824-C827 HydrophobicContact CB-CB 4.46Å; D824-C827 WeakPolarHBondContact O-CB 3.45Å; D824-C827 PolarHBondContact O-N 3.42Å; D824-C827 VanDerWaalsContact O-N 3.15Å; D824-F828 WeakPolarHBondContact O-CD2 3.45Å; D824-F828 VanDerWaalsContact O-CE2 3.25Å; D824-F828 WeakPolarHBondContact O-CE2 3.17Å
825V86.3Confident85.1Confident7 Ų733.6 Ų33.64%0.04217%0.172CC..SBendtrans-63.9-34.7-177175.90000112.2W821 L822 C827 F828 A864 L867 L868W821-V825 WeakPolarHBondContact O-CG2 3.34Å; W821-V825 PolarHBondContact O-N 3.41Å; L822-V825 HydrophobicContact CD2-CG2 4.35Å; V825-C827 VanDerWaalsContact C-N 3.28Å; V825-F828 PolarHBondContact O-N 3.26Å; V825-A864 HydrophobicContact CG1-CB 4.12Å; V825-A864 HydrophobicContact CG2-CB 4.09Å; V825-L867 HydrophobicContact CG1-CD2 4.27Å; V825-L868 HydrophobicContact CG1-CD1 3.86Å; V825-L868 HydrophobicContact CG1-CD2 3.79Å; V825-L868 HydrophobicContact CG1-CG 3.61Å
826D85.1Confident85.5Confident103 Ų10331 Ų3155%0.55116%0.159SC*.THydrogen-bonded Turntrans-67.6-26.1175.150.3-14.8000112.9D824 F828 L867D824-D826 VanDerWaalsContact C-N 3.28Å; D824-D826 PolarHBondContact O-N 3.38Å; D826-F828 VanDerWaalsContact C-N 3.27Å; D826-F828 PolarHBondContact O-N 3.06Å; D826-L867 HydrophobicContact CB-CD2 4.11Å
827C85.1Confident85.9Confident39 Ų3926.2 Ų26.226%0.26414%0.136SC..THydrogen-bonded Turntrans-78.4-2.9177.6-58.50000114.4T780 D824 V825 L829T780-C827 HydrophobicContact CG2-CB 3.82Å; D824-C827 HydrophobicContact CB-CB 4.46Å; D824-C827 WeakPolarHBondContact O-CB 3.45Å; D824-C827 PolarHBondContact O-N 3.42Å; D824-C827 VanDerWaalsContact O-N 3.15Å; V825-C827 VanDerWaalsContact C-N 3.28Å; C827-L829 PolarHBondContact O-N 2.93Å
828F84Confident86.2Confident2 Ų225.9 Ų25.91%0.00914%0.135CC..  trans-83.597.8174.5-70.6-101.4000109T780 L783 Q784 I787 D824 V825 D826 D833 R834 C837 L868T780-F828 HydrophobicContact CG2-CD2 4.09Å; T780-F828 HydrophobicContact CG2-CE1 4.42Å; T780-F828 HydrophobicContact CG2-CE2 3.97Å; T780-F828 HydrophobicContact CG2-CG 4.36Å; T780-F828 HydrophobicContact CG2-CZ 4.14Å; L783-F828 HydrophobicContact CB-CZ 4.45Å; Q784-F828 HydrophobicContact CG-CD1 4.45Å; Q784-F828 HydrophobicContact CG-CE1 3.73Å; I787-F828 HydrophobicContact CD1-CE1 4.15Å; I787-F828 HydrophobicContact CD1-CZ 3.98Å; D824-F828 WeakPolarHBondContact O-CD2 3.45Å; D824-F828 VanDerWaalsContact O-CE2 3.25Å; D824-F828 WeakPolarHBondContact O-CE2 3.17Å; V825-F828 PolarHBondContact O-N 3.26Å; D826-F828 VanDerWaalsContact C-N 3.27Å; D826-F828 PolarHBondContact O-N 3.06Å; F828-D833 HydrophobicContact CD1-CB 4.17Å; F828-R834 HydrophobicContact CB-CG 4.27Å; F828-R834 WeakPolarHBondContact O-CG 3.18Å; F828-R834 PolarHBondContact O-NE 3.5Å; F828-C837 HydrophobicContact CD1-CB 4.21Å; F828-C837 HydrophobicContact CE1-CB 4.4Å; F828-L868 HydrophobicContact CB-CD2 4.24Å
829L79.1Confident86.4Confident56 Ų5625.9 Ų25.929%0.29314%0.135SC..  trans-91.5-33.5-174.4-59.4177.8000112.7C827 R834C827-L829 PolarHBondContact O-N 2.93Å; L829-R834 PolarHBondContact O-NE 3.1Å; L829-R834 PolarHBondContact O-NH1 3.35Å; L829-R834 PolarHBondContact O-NH2 3.4Å
830G80.3Confident86.6Confident0 Ų023.2 Ų23.20%012%0.116CC..SBendtrans-74.4157.1-17400000116.5D833 R834 E944G830-D833 PolarHBondContact O-N 2.97Å; G830-R834 WeakPolarHBondContact O-CB 3.37Å; G830-R834 WeakPolarHBondContact O-CD 3.45Å; G830-R834 WeakPolarHBondContact O-CG 3.38Å; G830-R834 PolarHBondContact O-N 3.14Å; G830-E944 WeakPolarHBondContact CA-OE1 3.44Å
831L83.1Confident86.9Confident21 Ų2121.4 Ų21.411%0.1111%0.108CC..Hα-helixtrans-64.4-51177.7-174.2151.7000110.3D833 K835 L872 A875 Y876 Q879 E944L831-D833 VanDerWaalsContact C-N 3.3Å; L831-D833 PolarHBondContact O-N 2.86Å; L831-K835 WeakPolarHBondContact O-CB 3.49Å; L831-K835 PolarHBondContact O-N 3.24Å; L831-L872 WeakPolarHBondContact O-CD2 3.33Å; L831-A875 HydrophobicContact CB-CB 4.36Å; L831-A875 HydrophobicContact CD1-CB 4.24Å; L831-A875 HydrophobicContact CG-CB 4.45Å; L831-Y876 HydrophobicContact CD1-CD1 3.71Å; L831-Y876 HydrophobicContact CD1-CE1 3.8Å; L831-Y876 HydrophobicContact CD1-CG 4.41Å; L831-Y876 HydrophobicContact CD2-CE1 3.95Å; L831-Y876 HydrophobicContact CG-CD1 4.48Å; L831-Y876 HydrophobicContact CG-CE1 4.16Å; L831-Q879 VanDerWaalsContact CD1-OE1 3.3Å; L831-E944 WeakPolarHBondContact CB-OE2 3.33Å; L831-E944 VanDerWaalsContact N-CD 3.35Å; L831-E944 PolarHBondContact N-OE1 3.36Å; L831-E944 VanDerWaalsContact N-OE1 3.14Å; L831-E944 PolarHBondContact N-OE2 2.85Å
832H86.6Confident86.9Confident7 Ų721.5 Ų21.53%0.03211%0.108CC..Hα-helixtrans-58.8-44.8174.3175.285.8000111.4K740 E743 R834 K835 I836 E944 T948 D951K740-H832 PolarHBondContact NZ-CD2 3.41Å; K740-H832 PolarHBondContact NZ-NE2 3.12Å; E743-H832 IonicContact OE1-NE2 3.67Å; E743-H832 PolarHBondContact OE1-NE2 3.13Å; E743-H832 IonicContact OE2-NE2 3.13Å; H832-R834 PolarHBondContact O-N 2.85Å; H832-K835 WeakPolarHBondContact O-CB 3.46Å; H832-K835 PolarHBondContact O-N 3.07Å; H832-K835 VanDerWaalsContact O-N 3.12Å; H832-I836 WeakPolarHBondContact NE2-CG1 3.18Å; H832-I836 PolarHBondContact O-N 3.04Å; H832-E944 PolarHBondContact N-OE2 3.24Å; H832-T948 PolarHBondContact CE1-OG1 3.37Å; H832-D951 IonicContact CE1-OD1 2.88Å; H832-D951 IonicContact CE1-OD2 3.66Å; H832-D951 PolarHBondContact CE1-OD2 3.3Å; H832-D951 IonicContact CG-OD1 3.45Å; H832-D951 IonicContact CG-OD2 3.91Å; H832-D951 IonicContact ND1-OD1 2.59Å; H832-D951 PolarHBondContact ND1-OD1 2.99Å; H832-D951 IonicContact ND1-OD2 2.59Å; H832-D951 PolarHBondContact ND1-OD2 2.82Å
833D86.8Confident87Confident4 Ų421.2 Ų21.22%0.02111%0.11CC..Hα-helixtrans-60-48.2-176.1-67.2-7.6000112.2M781 Q784 F828 G830 L831 K835 C837M781-D833 WeakPolarHBondContact CE-OD2 3.39Å; Q784-D833 PolarHBondContact NE2-OD1 3.38Å; F828-D833 HydrophobicContact CD1-CB 4.17Å; G830-D833 PolarHBondContact O-N 2.97Å; L831-D833 VanDerWaalsContact C-N 3.3Å; L831-D833 PolarHBondContact O-N 2.86Å; D833-K835 VanDerWaalsContact C-N 3.33Å; D833-C837 VanDerWaalsContact O-CB 3.24Å; D833-C837 WeakPolarHBondContact O-CB 3.32Å; D833-C837 PolarHBondContact O-N 3.19Å
834R88.8Confident87Confident17 Ų1714.4 Ų14.46%0.0648%0.08CC..Hα-helixtrans-65-39.2176.5-68.4166.5175.2153.8-5.3110.6F828 L829 G830 H832 C837 V838 L868 L872 D937F828-R834 HydrophobicContact CB-CG 4.27Å; F828-R834 WeakPolarHBondContact O-CG 3.18Å; F828-R834 PolarHBondContact O-NE 3.5Å; L829-R834 PolarHBondContact O-NE 3.1Å; L829-R834 PolarHBondContact O-NH1 3.35Å; L829-R834 PolarHBondContact O-NH2 3.4Å; G830-R834 WeakPolarHBondContact O-CB 3.37Å; G830-R834 WeakPolarHBondContact O-CD 3.45Å; G830-R834 WeakPolarHBondContact O-CG 3.38Å; G830-R834 PolarHBondContact O-N 3.14Å; H832-R834 PolarHBondContact O-N 2.85Å; R834-C837 PolarHBondContact O-N 2.99Å; R834-V838 VanDerWaalsContact O-CG2 3.32Å; R834-V838 WeakPolarHBondContact O-CG2 3.32Å; R834-V838 PolarHBondContact O-N 3.41Å; R834-L868 HydrophobicContact CB-CD2 4.31Å; R834-L868 HydrophobicContact CG-CD2 4.12Å; R834-L872 HydrophobicContact CB-CD1 4.38Å; R834-L872 HydrophobicContact CB-CD2 3.68Å; R834-L872 HydrophobicContact CB-CG 3.71Å; R834-D937 PolarHBondContact NH2-O 2.85Å
835K89Confident87.1Confident6 Ų614 Ų143%0.0268%0.078CC..Hα-helixtrans-63.2-50.3178.1-172.4-179-172.1-179.30111.9L831 H832 D833 C837 V838 L839 L872 V950 V957 E959L831-K835 WeakPolarHBondContact O-CB 3.49Å; L831-K835 PolarHBondContact O-N 3.24Å; H832-K835 WeakPolarHBondContact O-CB 3.46Å; H832-K835 PolarHBondContact O-N 3.07Å; H832-K835 VanDerWaalsContact O-N 3.12Å; D833-K835 VanDerWaalsContact C-N 3.33Å; K835-C837 VanDerWaalsContact C-N 3.32Å; K835-C837 PolarHBondContact O-N 3.38Å; K835-V838 PolarHBondContact O-N 3.36Å; K835-L839 HydrophobicContact CG-CD1 4.41Å; K835-L839 WeakPolarHBondContact O-CG 3.28Å; K835-L839 PolarHBondContact O-N 3.4Å; K835-L872 HydrophobicContact CB-CD2 4.34Å; K835-V950 HydrophobicContact CD-CG1 4.2Å; K835-V950 PolarHBondContact NZ-O 3.3Å; K835-V957 WeakPolarHBondContact CE-O 3.35Å; K835-E959 VanDerWaalsContact CE-OE2 3.3Å; K835-E959 WeakPolarHBondContact CE-OE2 3.38Å; K835-E959 HydrophobicContact CG-CB 4.37Å; K835-E959 HydrophobicContact CG-CG 4.35Å
836I89.7Confident87.2Confident0 Ų016.5 Ų16.50%09%0.091CC..Hα-helixtrans-61.9-41.5176.8-69.2-61.9000111.1L747 I787 H832 V838 L839 G840 V950L747-I836 HydrophobicContact CD1-CD1 3.6Å; L747-I836 HydrophobicContact CD1-CG1 4.24Å; L747-I836 HydrophobicContact CD2-CD1 4.1Å; I787-I836 HydrophobicContact CB-CG2 4.39Å; I787-I836 HydrophobicContact CG2-CG2 3.8Å; I787-I836 WeakPolarHBondContact CG2-O 3.5Å; H832-I836 WeakPolarHBondContact NE2-CG1 3.18Å; H832-I836 PolarHBondContact O-N 3.04Å; I836-V838 PolarHBondContact O-N 3.06Å; I836-L839 PolarHBondContact O-N 3.08Å; I836-G840 PolarHBondContact O-N 3.48Å; I836-V950 HydrophobicContact CD1-CB 4.18Å; I836-V950 HydrophobicContact CD1-CG1 3.94Å; I836-V950 HydrophobicContact CD1-CG2 4.08Å
837C90.6Very high87.2Confident0 Ų012.5 Ų12.50%07%0.07CC..Hα-helixtrans-59.9-44.7176.3-170.40000111.9W821 F828 D833 R834 K835 G840 L841 L868W821-C837 PolarHBondContact NE1-SG 3.05Å; F828-C837 HydrophobicContact CD1-CB 4.21Å; F828-C837 HydrophobicContact CE1-CB 4.4Å; D833-C837 VanDerWaalsContact O-CB 3.24Å; D833-C837 WeakPolarHBondContact O-CB 3.32Å; D833-C837 PolarHBondContact O-N 3.19Å; R834-C837 PolarHBondContact O-N 2.99Å; K835-C837 VanDerWaalsContact C-N 3.32Å; K835-C837 PolarHBondContact O-N 3.38Å; C837-G840 PolarHBondContact O-N 3.08Å; C837-L841 WeakPolarHBondContact O-CG 3.45Å; C837-L841 PolarHBondContact O-N 3.02Å; C837-L868 HydrophobicContact CB-CD1 3.96Å; C837-L868 HydrophobicContact CB-CD2 4.32Å; C837-L868 WeakPolarHBondContact SG-CD1 3.33Å
838V90.7Very high86.9Confident1 Ų118.1 Ų18.11%0.0069%0.092CC..Hα-helixtrans-62.1-45.3174.6167.90000111.8R834 K835 I836 G840 L841 C842 L868 F869 L872 E959R834-V838 VanDerWaalsContact O-CG2 3.32Å; R834-V838 WeakPolarHBondContact O-CG2 3.32Å; R834-V838 PolarHBondContact O-N 3.41Å; K835-V838 PolarHBondContact O-N 3.36Å; I836-V838 PolarHBondContact O-N 3.06Å; V838-G840 VanDerWaalsContact C-N 3.3Å; V838-G840 PolarHBondContact O-N 3.47Å; V838-L841 PolarHBondContact O-N 3.29Å; V838-C842 WeakPolarHBondContact O-CB 3.47Å; V838-C842 PolarHBondContact O-N 3.24Å; V838-C842 PolarHBondContact O-SG 3.48Å; V838-L868 HydrophobicContact CG2-CB 3.57Å; V838-L868 HydrophobicContact CG2-CD1 3.94Å; V838-L868 HydrophobicContact CG2-CG 4.4Å; V838-F869 HydrophobicContact CG1-CE1 3.84Å; V838-F869 HydrophobicContact CG1-CE2 3.81Å; V838-F869 HydrophobicContact CG1-CZ 3.33Å; V838-F869 HydrophobicContact CG2-CE2 4.48Å; V838-F869 HydrophobicContact CG2-CZ 4.46Å; V838-L872 HydrophobicContact CG2-CD1 3.97Å; V838-E959 HydrophobicContact CG1-CB 4.06Å; V838-E959 HydrophobicContact CG1-CG 4.45Å
839L89.5Confident86.7Confident2 Ų226.1 Ų26.11%0.0113%0.13CC..Hα-helixtrans-63.8-37178.1-69.5175.6000111.9Y791 K835 I836 C842 A843 V950 V957 E959 I962Y791-L839 HydrophobicContact CD2-CB 4.04Å; Y791-L839 HydrophobicContact CE1-CD1 4.41Å; Y791-L839 HydrophobicContact CE2-CB 4.22Å; Y791-L839 HydrophobicContact CE2-CD1 4.36Å; Y791-L839 HydrophobicContact CE2-CD2 4.41Å; Y791-L839 HydrophobicContact CG-CB 4.48Å; K835-L839 HydrophobicContact CG-CD1 4.41Å; K835-L839 WeakPolarHBondContact O-CG 3.28Å; K835-L839 PolarHBondContact O-N 3.4Å; I836-L839 PolarHBondContact O-N 3.08Å; L839-C842 WeakPolarHBondContact O-CB 3.35Å; L839-C842 PolarHBondContact O-N 2.88Å; L839-A843 PolarHBondContact O-N 3.41Å; L839-V950 HydrophobicContact CD1-CG1 3.68Å; L839-V957 HydrophobicContact CD1-CG1 3.95Å; L839-V957 HydrophobicContact CD2-CG1 4.13Å; L839-E959 HydrophobicContact CD2-CB 4.12Å; L839-E959 HydrophobicContact CG-CB 4.43Å; L839-I962 HydrophobicContact CD2-CB 4.49Å; L839-I962 HydrophobicContact CD2-CD1 3.72Å; L839-I962 HydrophobicContact CD2-CG2 4.33Å
840G89.4Confident86.8Confident0 Ų026.4 Ų26.40%013%0.127CC..Hα-helixtrans-63-46.4171.500000112.6L790 I836 C837 V838 C842 A843 L844L790-G840 VanDerWaalsContact CD2-O 3.28Å; L790-G840 WeakPolarHBondContact CD2-O 3.49Å; I836-G840 PolarHBondContact O-N 3.48Å; C837-G840 PolarHBondContact O-N 3.08Å; V838-G840 VanDerWaalsContact C-N 3.3Å; V838-G840 PolarHBondContact O-N 3.47Å; G840-C842 VanDerWaalsContact C-N 3.29Å; G840-C842 PolarHBondContact O-N 3.46Å; G840-A843 PolarHBondContact O-N 2.98Å; G840-L844 PolarHBondContact O-N 2.81Å
841L89.9Confident86.8Confident2 Ų227.3 Ų27.31%0.0113%0.133CC..Hα-helixtrans-61.9-40.4176.6-73.2175.4000111W821 L822 C837 V838 A843 L844 I845 L861 A864 A865 L868W821-L841 HydrophobicContact CH2-CB 4.48Å; W821-L841 HydrophobicContact CH2-CD2 3.61Å; W821-L841 HydrophobicContact CH2-CG 3.84Å; W821-L841 HydrophobicContact CZ2-CD2 3.74Å; W821-L841 HydrophobicContact CZ2-CG 3.69Å; W821-L841 HydrophobicContact CZ3-CD2 4.11Å; L822-L841 HydrophobicContact CD2-CD2 4.37Å; C837-L841 WeakPolarHBondContact O-CG 3.45Å; C837-L841 PolarHBondContact O-N 3.02Å; V838-L841 PolarHBondContact O-N 3.29Å; L841-A843 PolarHBondContact O-N 3.01Å; L841-L844 WeakPolarHBondContact O-CB 2.98Å; L841-L844 PolarHBondContact O-N 3.11Å; L841-I845 WeakPolarHBondContact O-CB 3.32Å; L841-I845 WeakPolarHBondContact O-CD1 3.29Å; L841-I845 WeakPolarHBondContact O-CG1 3.34Å; L841-I845 PolarHBondContact O-N 2.85Å; L841-L861 HydrophobicContact CD2-CD2 4.14Å; L841-A864 HydrophobicContact CD1-CB 4.28Å; L841-A865 HydrophobicContact CD1-CB 4.13Å; L841-L868 HydrophobicContact CD1-CD1 3.71Å
842C89.9Confident86.7Confident2 Ų234 Ų341%0.01416%0.163CC..Hα-helixtrans-56.7-48.8172.7-73.30000111.7V838 L839 G840 L844 I845 D846 I962 I966V838-C842 WeakPolarHBondContact O-CB 3.47Å; V838-C842 PolarHBondContact O-N 3.24Å; V838-C842 PolarHBondContact O-SG 3.48Å; L839-C842 WeakPolarHBondContact O-CB 3.35Å; L839-C842 PolarHBondContact O-N 2.88Å; G840-C842 VanDerWaalsContact C-N 3.29Å; G840-C842 PolarHBondContact O-N 3.46Å; C842-L844 VanDerWaalsContact C-N 3.32Å; C842-L844 PolarHBondContact O-N 2.85Å; C842-I845 PolarHBondContact O-N 3.28Å; C842-D846 PolarHBondContact O-N 3.07Å; C842-I962 HydrophobicContact CB-CG2 4.31Å; C842-I966 HydrophobicContact CB-CD1 3.6Å
843A89.1Confident86.3Confident18 Ų1833.9 Ų33.915%0.14916%0.164CC..Hα-helixtrans-62.7-37.8177.500000112.3L790 L839 G840 L841L790-A843 HydrophobicContact CG-CB 4.12Å; L839-A843 PolarHBondContact O-N 3.41Å; G840-A843 PolarHBondContact O-N 2.98Å; L841-A843 PolarHBondContact O-N 3.01Å
844L87.8Confident86.2Confident4 Ų433.7 Ų33.72%0.02116%0.162CC..Hα-helixtrans-65.9-41.6175.8-162.172.7000112.1L790 W821 G840 L841 C842 L847 V854 L861L790-L844 HydrophobicContact CD1-CD1 4.48Å; L790-L844 HydrophobicContact CD2-CB 4.09Å; L790-L844 HydrophobicContact CD2-CD1 4.07Å; W821-L844 HydrophobicContact CZ3-CD2 4.18Å; G840-L844 PolarHBondContact O-N 2.81Å; L841-L844 WeakPolarHBondContact O-CB 2.98Å; L841-L844 PolarHBondContact O-N 3.11Å; C842-L844 VanDerWaalsContact C-N 3.32Å; C842-L844 PolarHBondContact O-N 2.85Å; L844-L847 HydrophobicContact CD1-CD1 3.93Å; L844-L847 WeakPolarHBondContact O-CB 3.4Å; L844-L847 WeakPolarHBondContact O-CG 3.43Å; L844-L847 PolarHBondContact O-N 3.22Å; L844-V854 HydrophobicContact CD1-CG2 3.8Å; L844-V854 HydrophobicContact CD2-CG1 4.24Å; L844-V854 HydrophobicContact CD2-CG2 4.26Å; L844-V854 HydrophobicContact CG-CG1 4.11Å; L844-V854 HydrophobicContact CG-CG2 4.08Å; L844-L861 HydrophobicContact CD2-CD2 3.93Å
845I87.6Confident85.9Confident4 Ų436.5 Ų36.52%0.02118%0.179CC..Hα-helixtrans-69-35.6-178.7-74.1167.8000111.2L841 C842 L847 L861 L862 I966 I970 W977 L981L841-I845 WeakPolarHBondContact O-CB 3.32Å; L841-I845 WeakPolarHBondContact O-CD1 3.29Å; L841-I845 WeakPolarHBondContact O-CG1 3.34Å; L841-I845 PolarHBondContact O-N 2.85Å; C842-I845 PolarHBondContact O-N 3.28Å; I845-L847 VanDerWaalsContact C-N 3.3Å; I845-L847 PolarHBondContact O-N 3.28Å; I845-L861 HydrophobicContact CD1-CB 4.5Å; I845-L861 HydrophobicContact CG1-CD1 4.26Å; I845-L862 HydrophobicContact CD1-CD2 4.41Å; I845-I966 HydrophobicContact CG2-CG2 3.94Å; I845-I970 HydrophobicContact CB-CD1 4.41Å; I845-I970 HydrophobicContact CG2-CD1 3.16Å; I845-I970 WeakPolarHBondContact O-CD1 3.47Å; I845-W977 PolarHBondContact O-NE1 2.88Å; I845-L981 HydrophobicContact CG2-CD1 4.12Å
846D88.7Confident85.7Confident59 Ų5943.1 Ų43.132%0.31621%0.21SC..THydrogen-bonded Turntrans-79.3-3.2-179.6-163.428.1000114.6C842 E848 I966 R973C842-D846 PolarHBondContact O-N 3.07Å; D846-E848 PolarHBondContact O-N 3.47Å; D846-I966 HydrophobicContact CB-CD1 4.4Å; D846-I966 HydrophobicContact CB-CG1 4.4Å; D846-I966 HydrophobicContact CB-CG2 3.94Å; D846-R973 PolarHBondContact O-NH2 3.07Å; D846-R973 IonicContact OD1-CZ 2.66Å; D846-R973 IonicContact OD1-NH1 2.79Å; D846-R973 PolarHBondContact OD1-NH1 3.28Å; D846-R973 VanDerWaalsContact OD1-NH1 3.13Å; D846-R973 IonicContact OD1-NH2 3.45Å; D846-R973 PolarHBondContact OD1-NH2 3.46Å
847L86.2Confident85.4Confident18 Ų1843.9 Ų43.99%0.09422%0.215CC..  trans-57.2124179.8-76.6174.9000113.2P794 L798 L844 I845 R850P794-L847 HydrophobicContact CB-CD2 3.59Å; P794-L847 HydrophobicContact CG-CD2 4.49Å; L798-L847 HydrophobicContact CD1-CD1 4.03Å; L798-L847 HydrophobicContact CD1-CD2 4.11Å; L844-L847 HydrophobicContact CD1-CD1 3.93Å; L844-L847 WeakPolarHBondContact O-CB 3.4Å; L844-L847 WeakPolarHBondContact O-CG 3.43Å; L844-L847 PolarHBondContact O-N 3.22Å; I845-L847 VanDerWaalsContact C-N 3.3Å; I845-L847 PolarHBondContact O-N 3.28Å; L847-R850 HydrophobicContact CB-CG 3.86Å; L847-R850 PolarHBondContact O-NE 3.09Å
848E78.5Confident85.1Confident158 Ų15844.2 Ų44.274%0.73822%0.217SC*.SBendtrans-71-39172.6-63.3-169.9165.800112.2D846D846-E848 PolarHBondContact O-N 3.47Å
849Q79.6Confident84.8Confident170 Ų17045.2 Ų45.279%0.79423%0.227SC*.SBendtrans-111.896.5176-65.5-172.57.100110
850R80.8Confident84.7Confident61 Ų6150.4 Ų50.423%0.2325%0.252CS..  trans-87.6127.8-176-78.8165.2-88.7149.7-4.9112.3L847 V854 D974L847-R850 HydrophobicContact CB-CG 3.86Å; L847-R850 PolarHBondContact O-NE 3.09Å; R850-V854 HydrophobicContact CG-CG1 4.39Å; R850-D974 IonicContact CZ-OD2 2.89Å; R850-D974 IonicContact NH1-OD2 3.63Å; R850-D974 IonicContact NH2-OD2 3.68Å; R850-D974 PolarHBondContact NH2-OD2 2.94Å
851P81.3Confident84.6Confident20 Ų2050.4 Ų50.413%0.1325%0.252CS..  trans-57.2155.4168-2331.9000112.4L798 T814 A853 V854 N855L798-P851 HydrophobicContact CD1-CG 4.18Å; L798-P851 HydrophobicContact CD2-CG 3.65Å; T814-P851 HydrophobicContact CG2-CB 4.42Å; T814-P851 HydrophobicContact CG2-CG 4.45Å; P851-A853 HydrophobicContact CB-CB 4.34Å; P851-A853 PolarHBondContact O-N 2.91Å; P851-V854 HydrophobicContact CB-CG2 4.38Å; P851-V854 HydrophobicContact CG-CG2 4.26Å; P851-V854 PolarHBondContact O-N 3.33Å; P851-N855 PolarHBondContact O-N 3.22Å; P851-N855 PolarHBondContact O-ND2 3.5Å
852Q79.4Confident84.5Confident160 Ų16050.3 Ų50.375%0.74825%0.251SS*.Hα-helixtrans-58.6-33.9175.5-73.4-173.7-10.700112.2V854 N855 Q856Q852-V854 PolarHBondContact O-N 3.38Å; Q852-N855 PolarHBondContact O-N 3.26Å; Q852-Q856 WeakPolarHBondContact O-CG 3.44Å; Q852-Q856 PolarHBondContact O-N 3.16Å
853A79.8Confident84.4Confident5 Ų551.7 Ų51.74%0.04126%0.26CS..Hα-helixtrans-48.7-54173.100000112.5N815 I818 P851 N855 Q856 V857N815-A853 WeakPolarHBondContact OD1-CA 3.19Å; N815-A853 WeakPolarHBondContact OD1-CB 2.89Å; I818-A853 HydrophobicContact CD1-CB 3.68Å; P851-A853 HydrophobicContact CB-CB 4.34Å; P851-A853 PolarHBondContact O-N 2.91Å; A853-N855 VanDerWaalsContact C-N 3.31Å; A853-N855 PolarHBondContact O-N 3.27Å; A853-Q856 WeakPolarHBondContact O-CB 3.34Å; A853-Q856 PolarHBondContact O-N 3.4Å; A853-Q856 VanDerWaalsContact O-N 3.12Å; A853-V857 PolarHBondContact O-N 3.33Å
854V82.9Confident84.4Confident0 Ų051.4 Ų51.40%026%0.258CS..Hα-helixtrans-65.1-37.3-175.5-1780000111I818 L844 R850 P851 Q852 Q856 V857 A858 L861 W977I818-V854 HydrophobicContact CD1-CG2 3.68Å; L844-V854 HydrophobicContact CD1-CG2 3.8Å; L844-V854 HydrophobicContact CD2-CG1 4.24Å; L844-V854 HydrophobicContact CD2-CG2 4.26Å; L844-V854 HydrophobicContact CG-CG1 4.11Å; L844-V854 HydrophobicContact CG-CG2 4.08Å; R850-V854 HydrophobicContact CG-CG1 4.39Å; P851-V854 HydrophobicContact CB-CG2 4.38Å; P851-V854 HydrophobicContact CG-CG2 4.26Å; P851-V854 PolarHBondContact O-N 3.33Å; Q852-V854 PolarHBondContact O-N 3.38Å; V854-Q856 VanDerWaalsContact C-N 3.3Å; V854-Q856 PolarHBondContact O-N 2.88Å; V854-V857 PolarHBondContact O-N 3.48Å; V854-A858 PolarHBondContact O-N 3.37Å; V854-A858 VanDerWaalsContact O-N 3.16Å; V854-L861 HydrophobicContact CG1-CD1 4.15Å; V854-W977 HydrophobicContact CG1-CH2 4.12Å; V854-W977 HydrophobicContact CG1-CZ2 4.19Å
855N83.7Confident84.4Confident77 Ų7751.2 Ų51.241%0.41226%0.257SS..Hα-helixtrans-68-30177.4-69.8-57.4000112.7P851 Q852 A853P851-N855 PolarHBondContact O-N 3.22Å; P851-N855 PolarHBondContact O-ND2 3.5Å; Q852-N855 PolarHBondContact O-N 3.26Å; A853-N855 VanDerWaalsContact C-N 3.31Å; A853-N855 PolarHBondContact O-N 3.27Å
856Q83.9Confident84.4Confident145 Ų14551.3 Ų51.368%0.67826%0.257SS*.Hα-helixtrans-73.6-32.6178.4-69.6172.810.600112.2Q852 A853 V854Q852-Q856 WeakPolarHBondContact O-CG 3.44Å; Q852-Q856 PolarHBondContact O-N 3.16Å; A853-Q856 WeakPolarHBondContact O-CB 3.34Å; A853-Q856 PolarHBondContact O-N 3.4Å; A853-Q856 VanDerWaalsContact O-N 3.12Å; V854-Q856 VanDerWaalsContact C-N 3.3Å; V854-Q856 PolarHBondContact O-N 2.88Å
857V85Confident84.4Confident16 Ų1652.8 Ų52.810%0.09727%0.265CS..SBendtrans-98.28-179-59.30000113.7I818 L822 A853 V854 G859 Q860 L861I818-V857 HydrophobicContact CG2-CG1 4.48Å; I818-V857 HydrophobicContact CG2-CG2 3.67Å; L822-V857 HydrophobicContact CD1-CB 3.57Å; L822-V857 HydrophobicContact CD1-CG1 3.99Å; L822-V857 HydrophobicContact CD1-CG2 3.68Å; A853-V857 PolarHBondContact O-N 3.33Å; V854-V857 PolarHBondContact O-N 3.48Å; V857-G859 PolarHBondContact O-N 3Å; V857-G859 VanDerWaalsContact O-N 3.07Å; V857-Q860 WeakPolarHBondContact O-CB 3.41Å; V857-Q860 PolarHBondContact O-N 3.12Å; V857-L861 HydrophobicContact CG2-CD2 4.19Å; V857-L861 HydrophobicContact CG2-CG 4.48Å; V857-L861 PolarHBondContact O-N 3.17Å
858A84.1Confident84.4Confident7 Ų752.1 Ų52.16%0.05826%0.261CS..Hα-helixtrans-48.6-42.5-17500000113.7V854 Q860 L861 W977 A980 L981V854-A858 PolarHBondContact O-N 3.37Å; V854-A858 VanDerWaalsContact O-N 3.16Å; A858-Q860 PolarHBondContact O-N 3.21Å; A858-L861 PolarHBondContact O-N 3.07Å; A858-W977 HydrophobicContact CB-CE3 4.39Å; A858-W977 HydrophobicContact CB-CH2 3.44Å; A858-W977 VanDerWaalsContact CB-CH2 3.44Å; A858-W977 HydrophobicContact CB-CZ3 3.33Å; A858-A980 HydrophobicContact CB-CB 4.46Å; A858-L981 HydrophobicContact CB-CD2 4.49Å; A858-L981 WeakPolarHBondContact O-CD2 3.41Å
859G83.7Confident84.8Confident21 Ų2144.7 Ų44.722%0.21623%0.226CC..Hα-helixtrans-71.8-10-179.400000115.4V857 P863 T984V857-G859 PolarHBondContact O-N 3Å; V857-G859 VanDerWaalsContact O-N 3.07Å; G859-P863 WeakPolarHBondContact O-CD 3.28Å; G859-P863 WeakPolarHBondContact O-CG 3.47Å; G859-T984 WeakPolarHBondContact CA-OG1 3.41Å; G859-T984 PolarHBondContact O-OG1 3.44Å
860Q87.1Confident85.1Confident112 Ų11238.9 Ų38.952%0.52320%0.201SC..Hα-helixtrans-100.3-18.5178.7-63.3176.64.900112.7L822 V857 A858 P863 A864L822-Q860 HydrophobicContact CD1-CB 4.33Å; V857-Q860 WeakPolarHBondContact O-CB 3.41Å; V857-Q860 PolarHBondContact O-N 3.12Å; A858-Q860 PolarHBondContact O-N 3.21Å; Q860-P863 WeakPolarHBondContact O-CD 3.5Å; Q860-A864 WeakPolarHBondContact O-CB 3.43Å; Q860-A864 PolarHBondContact O-N 2.85Å
861L87.1Confident85.2Confident0 Ų036.5 Ų36.50%020%0.195CC..Hα-helixtrans-65.7-44.1-174.9-63.4177.4000113.4L822 L841 L844 I845 V854 V857 A858 A865 W977 L981L822-L861 HydrophobicContact CD1-CD2 4.07Å; L822-L861 HydrophobicContact CD2-CD2 4.04Å; L841-L861 HydrophobicContact CD2-CD2 4.14Å; L844-L861 HydrophobicContact CD2-CD2 3.93Å; I845-L861 HydrophobicContact CD1-CB 4.5Å; I845-L861 HydrophobicContact CG1-CD1 4.26Å; V854-L861 HydrophobicContact CG1-CD1 4.15Å; V857-L861 HydrophobicContact CG2-CD2 4.19Å; V857-L861 HydrophobicContact CG2-CG 4.48Å; V857-L861 PolarHBondContact O-N 3.17Å; A858-L861 PolarHBondContact O-N 3.07Å; L861-A865 PolarHBondContact O-N 3.39Å; L861-W977 HydrophobicContact CD1-CH2 4.3Å; L861-W977 HydrophobicContact CD1-CZ2 4.14Å; L861-L981 HydrophobicContact CB-CD2 4.18Å; L861-L981 HydrophobicContact CD1-CD2 3.99Å
862L88.1Confident85.3Confident0 Ų035.5 Ų35.50%019%0.189CC..Hα-helixtrans-71.5-43177.9-72.5-171.4000113I845 A864 A865 I866 F963 L967 L981 T982 L985 L993I845-L862 HydrophobicContact CD1-CD2 4.41Å; L862-A864 VanDerWaalsContact C-N 3.31Å; L862-A864 PolarHBondContact O-N 3.2Å; L862-A865 PolarHBondContact O-N 3.02Å; L862-I866 VanDerWaalsContact O-CG1 3.29Å; L862-I866 WeakPolarHBondContact O-CG1 3.3Å; L862-I866 PolarHBondContact O-N 3.45Å; L862-F963 HydrophobicContact CD2-CE2 4.08Å; L862-F963 HydrophobicContact CD2-CZ 3.84Å; L862-L967 HydrophobicContact CD2-CD1 4.46Å; L862-L981 HydrophobicContact CD1-CB 3.77Å; L862-L981 WeakPolarHBondContact CD1-O 3.42Å; L862-L981 HydrophobicContact CG-CB 4.04Å; L862-T982 HydrophobicContact CD1-CG2 3.79Å; L862-L985 HydrophobicContact CB-CD1 4.46Å; L862-L985 HydrophobicContact CB-CD2 3.96Å; L862-L985 HydrophobicContact CD1-CD1 3.94Å; L862-L993 HydrophobicContact CD1-CD2 4.49Å
863P88.9Confident85.4Confident31 Ų3134.1 Ų34.120%0.20118%0.18CC..Hα-helixtrans-53.7-45.3169.9-29.535.3000113.5G859 Q860 I866 L867 L985G859-P863 WeakPolarHBondContact O-CD 3.28Å; G859-P863 WeakPolarHBondContact O-CG 3.47Å; Q860-P863 WeakPolarHBondContact O-CD 3.5Å; P863-I866 PolarHBondContact O-N 2.96Å; P863-L867 PolarHBondContact O-N 3.25Å; P863-L985 HydrophobicContact CG-CD2 3.98Å
864A88.1Confident85.5Confident11 Ų1141.6 Ų41.69%0.09121%0.207CC..Hα-helixtrans-61-45.3176.400000112.3L822 V825 L841 Q860 L862 I866 L867 L868L822-A864 HydrophobicContact CD2-CB 3.9Å; V825-A864 HydrophobicContact CG1-CB 4.12Å; V825-A864 HydrophobicContact CG2-CB 4.09Å; L841-A864 HydrophobicContact CD1-CB 4.28Å; Q860-A864 WeakPolarHBondContact O-CB 3.43Å; Q860-A864 PolarHBondContact O-N 2.85Å; L862-A864 VanDerWaalsContact C-N 3.31Å; L862-A864 PolarHBondContact O-N 3.2Å; A864-I866 VanDerWaalsContact C-N 3.34Å; A864-I866 PolarHBondContact O-N 3.48Å; A864-L867 PolarHBondContact O-N 3.2Å; A864-L868 WeakPolarHBondContact O-CG 3.41Å; A864-L868 PolarHBondContact O-N 2.9Å; A864-L868 VanDerWaalsContact O-N 3.15Å
865A87.9Confident85.2Confident1 Ų142.3 Ų42.31%0.00821%0.213CC..Hα-helixtrans-61.8-40.6176.100000112.3L841 L861 L862 L868 F869 F963L841-A865 HydrophobicContact CD1-CB 4.13Å; L861-A865 PolarHBondContact O-N 3.39Å; L862-A865 PolarHBondContact O-N 3.02Å; A865-L868 PolarHBondContact O-N 3.04Å; A865-F869 HydrophobicContact CB-CD2 4.5Å; A865-F869 WeakPolarHBondContact O-CD2 3.39Å; A865-F869 PolarHBondContact O-N 2.72Å; A865-F963 HydrophobicContact CB-CE2 4.03Å; A865-F963 HydrophobicContact CB-CZ 4.37Å
866I88.1Confident85.1Confident6 Ų641 Ų413%0.03120%0.203CC..Hα-helixtrans-63.4-42.5177.9-69.4163.1000111.2L862 P863 A864 F869 N870 L985 Q989 H992 L993 I996L862-I866 VanDerWaalsContact O-CG1 3.29Å; L862-I866 WeakPolarHBondContact O-CG1 3.3Å; L862-I866 PolarHBondContact O-N 3.45Å; P863-I866 PolarHBondContact O-N 2.96Å; A864-I866 VanDerWaalsContact C-N 3.34Å; A864-I866 PolarHBondContact O-N 3.48Å; I866-F869 PolarHBondContact O-N 2.89Å; I866-N870 PolarHBondContact O-N 3.34Å; I866-N870 PolarHBondContact O-ND2 3.16Å; I866-L985 HydrophobicContact CD1-CD2 3.95Å; I866-Q989 HydrophobicContact CD1-CB 3.95Å; I866-Q989 WeakPolarHBondContact CD1-O 3.37Å; I866-H992 HydrophobicContact CG2-CB 3.64Å; I866-L993 HydrophobicContact CD1-CB 4.25Å; I866-I996 HydrophobicContact CG1-CD1 4.16Å
867L87.4Confident84.8Confident90 Ų9036.3 Ų36.347%0.47119%0.189SC..Hα-helixtrans-57.8-50.1176.1-178.565000110.9V825 D826 P863 A864 F869 N870 G871V825-L867 HydrophobicContact CG1-CD2 4.27Å; D826-L867 HydrophobicContact CB-CD2 4.11Å; P863-L867 PolarHBondContact O-N 3.25Å; A864-L867 PolarHBondContact O-N 3.2Å; L867-F869 PolarHBondContact O-N 3.49Å; L867-N870 PolarHBondContact O-N 3.46Å; L867-G871 PolarHBondContact O-N 3.47Å
868L86.9Confident84.3Confident4 Ų437.4 Ų37.42%0.02120%0.197CC..Hα-helixtrans-62.8-40.6178.6-66.1165.1000112.6V825 F828 R834 C837 V838 L841 A864 A865 G871 L872V825-L868 HydrophobicContact CG1-CD1 3.86Å; V825-L868 HydrophobicContact CG1-CD2 3.79Å; V825-L868 HydrophobicContact CG1-CG 3.61Å; F828-L868 HydrophobicContact CB-CD2 4.24Å; R834-L868 HydrophobicContact CB-CD2 4.31Å; R834-L868 HydrophobicContact CG-CD2 4.12Å; C837-L868 HydrophobicContact CB-CD1 3.96Å; C837-L868 HydrophobicContact CB-CD2 4.32Å; C837-L868 WeakPolarHBondContact SG-CD1 3.33Å; V838-L868 HydrophobicContact CG2-CB 3.57Å; V838-L868 HydrophobicContact CG2-CD1 3.94Å; V838-L868 HydrophobicContact CG2-CG 4.4Å; L841-L868 HydrophobicContact CD1-CD1 3.71Å; A864-L868 WeakPolarHBondContact O-CG 3.41Å; A864-L868 PolarHBondContact O-N 2.9Å; A864-L868 VanDerWaalsContact O-N 3.15Å; A865-L868 PolarHBondContact O-N 3.04Å; L868-G871 PolarHBondContact O-N 2.89Å; L868-L872 WeakPolarHBondContact O-CB 3.38Å; L868-L872 WeakPolarHBondContact O-CG 3.43Å; L868-L872 PolarHBondContact O-N 3.12Å
869F87.8Confident83.6Confident1 Ų140.1 Ų40.10%0.00421%0.209CC..Hα-helixtrans-66.9-35.1176.6-82.8-60.1000112.9V838 A865 I866 L867 L872 K873 E959 Y960 F963 I996V838-F869 HydrophobicContact CG1-CE1 3.84Å; V838-F869 HydrophobicContact CG1-CE2 3.81Å; V838-F869 HydrophobicContact CG1-CZ 3.33Å; V838-F869 HydrophobicContact CG2-CE2 4.48Å; V838-F869 HydrophobicContact CG2-CZ 4.46Å; A865-F869 HydrophobicContact CB-CD2 4.5Å; A865-F869 WeakPolarHBondContact O-CD2 3.39Å; A865-F869 PolarHBondContact O-N 2.72Å; I866-F869 PolarHBondContact O-N 2.89Å; L867-F869 PolarHBondContact O-N 3.49Å; F869-L872 HydrophobicContact CD1-CD1 4.19Å; F869-K873 WeakPolarHBondContact O-CB 3.3Å; F869-K873 PolarHBondContact O-N 2.71Å; F869-E959 HydrophobicContact CE1-CG 4.01Å; F869-Y960 HydrophobicContact CB-CE1 4.47Å; F869-Y960 AromaticContact CD1-CD1 3.82Å; F869-Y960 HydrophobicContact CD1-CD1 3.82Å; F869-Y960 HydrophobicContact CD1-CD2 4.17Å; F869-Y960 AromaticContact CD1-CE1 3.38Å; F869-Y960 HydrophobicContact CD1-CE1 3.38Å; F869-Y960 AromaticContact CD1-CE2 3.79Å; F869-Y960 HydrophobicContact CD1-CE2 3.79Å; F869-Y960 HydrophobicContact CD1-CG 4.19Å; F869-Y960 AromaticContact CD1-CZ 3.39Å; F869-Y960 AromaticContact CE1-CD1 3.77Å; F869-Y960 HydrophobicContact CE1-CD1 3.77Å; F869-Y960 AromaticContact CE1-CD2 3.84Å; F869-Y960 HydrophobicContact CE1-CD2 3.84Å; F869-Y960 AromaticContact CE1-CE1 3.83Å; F869-Y960 HydrophobicContact CE1-CE1 3.83Å; F869-Y960 AromaticContact CE1-CE2 3.91Å; F869-Y960 HydrophobicContact CE1-CE2 3.91Å; F869-Y960 AromaticContact CE1-CG 3.77Å; F869-Y960 HydrophobicContact CE1-CG 3.77Å; F869-Y960 AromaticContact CE1-CZ 3.93Å; F869-Y960 HydrophobicContact CG-CE1 4.19Å; F869-Y960 PolarHBondContact O-OH 3.17Å; F869-F963 HydrophobicContact CE2-CB 4.02Å; F869-F963 AromaticContact CE2-CD1 3.67Å; F869-F963 HydrophobicContact CE2-CD1 3.67Å; F869-F963 AromaticContact CE2-CD2 3.91Å; F869-F963 HydrophobicContact CE2-CD2 3.91Å; F869-F963 HydrophobicContact CE2-CE1 4.04Å; F869-F963 HydrophobicContact CE2-CE2 4.26Å; F869-F963 AromaticContact CE2-CG 3.59Å; F869-F963 HydrophobicContact CE2-CG 3.59Å; F869-F963 HydrophobicContact CE2-CZ 4.31Å; F869-F963 HydrophobicContact CZ-CB 3.64Å; F869-F963 HydrophobicContact CZ-CD1 4.02Å; F869-F963 HydrophobicContact CZ-CD2 4.36Å; F869-F963 AromaticContact CZ-CG 3.76Å; F869-F963 HydrophobicContact CZ-CG 3.76Å; F869-I996 HydrophobicContact CB-CD1 3.55Å; F869-I996 HydrophobicContact CB-CG1 3.89Å; F869-I996 HydrophobicContact CD1-CG2 4.36Å; F869-I996 HydrophobicContact CD2-CD1 3.75Å; F869-I996 HydrophobicContact CD2-CG1 4.41Å; F869-I996 HydrophobicContact CD2-CG2 4.04Å; F869-I996 HydrophobicContact CE1-CG2 4.43Å; F869-I996 HydrophobicContact CE2-CG2 4.17Å; F869-I996 HydrophobicContact CG-CD1 3.88Å; F869-I996 HydrophobicContact CG-CG1 4.19Å; F869-I996 HydrophobicContact CG-CG2 4.15Å; F869-I996 HydrophobicContact CZ-CG2 4.34Å
870N85.2Confident82.9Confident49 Ų4941.1 Ų41.126%0.26222%0.215SC..Hα-helixtrans-65.8-42172.8-75-23.5000110.9I866 L867 K873 R874 H992I866-N870 PolarHBondContact O-N 3.34Å; I866-N870 PolarHBondContact O-ND2 3.16Å; L867-N870 PolarHBondContact O-N 3.46Å; N870-K873 PolarHBondContact O-N 3.05Å; N870-R874 PolarHBondContact O-N 3.23Å; N870-H992 PolarHBondContact OD1-ND1 2.85Å
871G82.3Confident82.1Confident10 Ų1041.9 Ų41.910%0.10322%0.218CC..Hα-helixtrans-60.5-50.8172.500000112.4L867 L868 K873 R874 A875L867-G871 PolarHBondContact O-N 3.47Å; L868-G871 PolarHBondContact O-N 2.89Å; G871-K873 VanDerWaalsContact C-N 3.28Å; G871-K873 PolarHBondContact O-N 2.9Å; G871-R874 WeakPolarHBondContact O-CB 3.3Å; G871-R874 PolarHBondContact O-N 3.34Å; G871-A875 PolarHBondContact O-N 3.36Å
872L83.5Confident80.8Confident0 Ų045.4 Ų45.40%024%0.237CC..Hα-helixtrans-55.9-41.6175.8-79.2169.7000112.4L831 R834 K835 V838 L868 F869 R874 A875 Y876 E959L831-L872 WeakPolarHBondContact O-CD2 3.33Å; R834-L872 HydrophobicContact CB-CD1 4.38Å; R834-L872 HydrophobicContact CB-CD2 3.68Å; R834-L872 HydrophobicContact CB-CG 3.71Å; K835-L872 HydrophobicContact CB-CD2 4.34Å; V838-L872 HydrophobicContact CG2-CD1 3.97Å; L868-L872 WeakPolarHBondContact O-CB 3.38Å; L868-L872 WeakPolarHBondContact O-CG 3.43Å; L868-L872 PolarHBondContact O-N 3.12Å; F869-L872 HydrophobicContact CD1-CD1 4.19Å; L872-R874 VanDerWaalsContact C-N 3.28Å; L872-R874 PolarHBondContact O-N 3.05Å; L872-A875 PolarHBondContact O-N 2.71Å; L872-Y876 HydrophobicContact CB-CD2 4.34Å; L872-Y876 HydrophobicContact CB-CE2 4.18Å; L872-Y876 HydrophobicContact CD2-CE2 4.15Å; L872-Y876 WeakPolarHBondContact O-CB 3.44Å; L872-Y876 WeakPolarHBondContact O-CD2 3.38Å; L872-Y876 PolarHBondContact O-N 3.39Å; L872-E959 HydrophobicContact CD1-CG 4.07Å
873K82.6Confident79.3Confident130 Ų13050.5 Ų50.557%0.56526%0.261SS*.Hα-helixtrans-62.5-36.9177.9-175.7-175.3173.5-169.60112F869 N870 G871 A877F869-K873 WeakPolarHBondContact O-CB 3.3Å; F869-K873 PolarHBondContact O-N 2.71Å; N870-K873 PolarHBondContact O-N 3.05Å; G871-K873 VanDerWaalsContact C-N 3.28Å; G871-K873 PolarHBondContact O-N 2.9Å; K873-A877 PolarHBondContact O-N 2.65Å
874R80.9Confident77.3Confident163 Ų16353.9 Ų53.962%0.61528%0.278SS*.Hα-helixtrans-70.4-47.8174.4-67.7177.4-175.9172.5-3.3110.7N870 G871 L872 Y876 A877 C878 D937N870-R874 PolarHBondContact O-N 3.23Å; G871-R874 WeakPolarHBondContact O-CB 3.3Å; G871-R874 PolarHBondContact O-N 3.34Å; L872-R874 VanDerWaalsContact C-N 3.28Å; L872-R874 PolarHBondContact O-N 3.05Å; R874-Y876 PolarHBondContact O-N 3.32Å; R874-A877 WeakPolarHBondContact O-CA 3.48Å; R874-A877 WeakPolarHBondContact O-CB 3.49Å; R874-A877 PolarHBondContact O-N 3.1Å; R874-C878 PolarHBondContact O-N 3.48Å; R874-D937 IonicContact NH1-OD2 2.64Å; R874-D937 PolarHBondContact NH1-OD2 2.99Å
875A77.3Confident75.3Confident15 Ų1559.1 Ų59.112%0.12430%0.3CS..Hα-helixtrans-57.6-48.3179.300000112.4L831 G871 L872 A877 C878 Q879L831-A875 HydrophobicContact CB-CB 4.36Å; L831-A875 HydrophobicContact CD1-CB 4.24Å; L831-A875 HydrophobicContact CG-CB 4.45Å; G871-A875 PolarHBondContact O-N 3.36Å; L872-A875 PolarHBondContact O-N 2.71Å; A875-A877 PolarHBondContact O-N 3.15Å; A875-C878 WeakPolarHBondContact O-CB 3.12Å; A875-C878 PolarHBondContact O-N 3.2Å; A875-Q879 PolarHBondContact O-N 3.09Å
876Y81Confident73Confident48 Ų4865.3 Ų65.319%0.18833%0.333CS..Hα-helixtrans-63.9-25.5175.1-73.7-56.6000113.9L831 L872 R874 A880 E959 Y960 R1003L831-Y876 HydrophobicContact CD1-CD1 3.71Å; L831-Y876 HydrophobicContact CD1-CE1 3.8Å; L831-Y876 HydrophobicContact CD1-CG 4.41Å; L831-Y876 HydrophobicContact CD2-CE1 3.95Å; L831-Y876 HydrophobicContact CG-CD1 4.48Å; L831-Y876 HydrophobicContact CG-CE1 4.16Å; L872-Y876 HydrophobicContact CB-CD2 4.34Å; L872-Y876 HydrophobicContact CB-CE2 4.18Å; L872-Y876 HydrophobicContact CD2-CE2 4.15Å; L872-Y876 WeakPolarHBondContact O-CB 3.44Å; L872-Y876 WeakPolarHBondContact O-CD2 3.38Å; L872-Y876 PolarHBondContact O-N 3.39Å; R874-Y876 PolarHBondContact O-N 3.32Å; Y876-A880 WeakPolarHBondContact O-CB 3.41Å; Y876-A880 PolarHBondContact O-N 3.13Å; Y876-E959 WeakPolarHBondContact CE2-OE1 3.47Å; Y876-E959 PolarHBondContact OH-OE1 3.07Å; Y876-E959 PolarHBondContact OH-OE2 2.89Å; Y876-Y960 HydrophobicContact CE2-CE2 4.27Å; Y876-R1003 VanDerWaalsContact CE2-NH1 3.3Å
877A77.9Confident70.5Confident47 Ų4772.8 Ų72.839%0.38837%0.368SS..Hα-helixtrans-76.6-41.3175.600000110.7K873 R874 A875 A880 E881K873-A877 PolarHBondContact O-N 2.65Å; R874-A877 WeakPolarHBondContact O-CA 3.48Å; R874-A877 WeakPolarHBondContact O-CB 3.49Å; R874-A877 PolarHBondContact O-N 3.1Å; A875-A877 PolarHBondContact O-N 3.15Å; A877-A880 PolarHBondContact O-N 3.36Å; A877-E881 WeakPolarHBondContact O-CG 3.28Å; A877-E881 PolarHBondContact O-N 3.18Å
878C73.9Confident67.8Low40 Ų4074.9 Ų74.927%0.2738%0.38SS..Hα-helixtrans-61.7-50.2174.7-161.80000111.3R874 A875 A880 E881 N882R874-C878 PolarHBondContact O-N 3.48Å; A875-C878 WeakPolarHBondContact O-CB 3.12Å; A875-C878 PolarHBondContact O-N 3.2Å; C878-A880 VanDerWaalsContact C-N 3.26Å; C878-A880 PolarHBondContact O-N 3.14Å; C878-E881 WeakPolarHBondContact O-CA 3.5Å; C878-E881 PolarHBondContact O-N 3.11Å; C878-N882 PolarHBondContact O-N 3.35Å
879Q70Confident65.2Low64 Ų6481 Ų8130%0.29941%0.412SS..Hα-helixtrans-57-40.6176.5-171.5-178.321.600112L831 A875 E881 N882 E883L831-Q879 VanDerWaalsContact CD1-OE1 3.3Å; A875-Q879 PolarHBondContact O-N 3.09Å; Q879-E881 VanDerWaalsContact C-N 3.34Å; Q879-N882 PolarHBondContact O-N 3.03Å; Q879-E883 WeakPolarHBondContact O-CB 3.32Å; Q879-E883 WeakPolarHBondContact O-CG 3.3Å; Q879-E883 PolarHBondContact O-N 3.18Å
880A69.7Low62.6Low42 Ų4289 Ų8935%0.34746%0.455SS..Hα-helixtrans-72.9-24177.200000113.4Y876 A877 C878 N884Y876-A880 WeakPolarHBondContact O-CB 3.41Å; Y876-A880 PolarHBondContact O-N 3.13Å; A877-A880 PolarHBondContact O-N 3.36Å; C878-A880 VanDerWaalsContact C-N 3.26Å; C878-A880 PolarHBondContact O-N 3.14Å; A880-N884 PolarHBondContact O-ND2 3.41Å
881E68.9Low60.1Low128 Ų12894.6 Ų94.660%0.59848%0.479SS*.Hα-helixtrans-75-46.5172.2-77172.6177.700109.7A877 C878 Q879 E883 N884 E885A877-E881 WeakPolarHBondContact O-CG 3.28Å; A877-E881 PolarHBondContact O-N 3.18Å; C878-E881 WeakPolarHBondContact O-CA 3.5Å; C878-E881 PolarHBondContact O-N 3.11Å; Q879-E881 VanDerWaalsContact C-N 3.34Å; E881-E883 PolarHBondContact O-N 3.47Å; E881-N884 PolarHBondContact O-N 3.35Å; E881-N884 VanDerWaalsContact O-N 3.07Å; E881-E885 PolarHBondContact O-N 2.94Å
882N60.3Low58Low74 Ų74101.6 Ų101.640%0.39651%0.514SS..Hα-helixtrans-59.3-45.5175.3-67.32.4000112.6C878 Q879 N884 E885 D886C878-N882 PolarHBondContact O-N 3.35Å; Q879-N882 PolarHBondContact O-N 3.03Å; N882-N884 PolarHBondContact O-N 3.13Å; N882-E885 PolarHBondContact O-N 3.19Å; N882-E885 VanDerWaalsContact O-N 3.12Å; N882-D886 PolarHBondContact O-N 3.15Å
883E55.6Low55.5Low107 Ų107105.3 Ų105.350%0.555%0.553SS.*Hα-helixtrans-62.4-23.9176.3-78.2176-172.600113.5Q879 E881Q879-E883 WeakPolarHBondContact O-CB 3.32Å; Q879-E883 WeakPolarHBondContact O-CG 3.3Å; Q879-E883 PolarHBondContact O-N 3.18Å; E881-E883 PolarHBondContact O-N 3.47Å
884N48.3Very low53Low102 Ų102107.6 Ų107.655%0.54557%0.566SS.*Hα-helixtrans-89.1-26.8175.2-74.3-54.2000112.3A880 E881 N882A880-N884 PolarHBondContact O-ND2 3.41Å; E881-N884 PolarHBondContact O-N 3.35Å; E881-N884 VanDerWaalsContact O-N 3.07Å; N882-N884 PolarHBondContact O-N 3.13Å
885E46.1Very low50.7Low121 Ų121108.7 Ų108.757%0.56558%0.578SS**Hα-helixtrans-71.2-37.5172.9-73.9-179.1170.300110.9E881 N882 E887 D888 D889E881-E885 PolarHBondContact O-N 2.94Å; N882-E885 PolarHBondContact O-N 3.19Å; N882-E885 VanDerWaalsContact O-N 3.12Å; E885-E887 PolarHBondContact O-N 3.4Å; E885-E887 VanDerWaalsContact O-N 3.14Å; E885-D888 CarbonylContact O-C 3.46Å; E885-D888 PolarHBondContact O-N 3.36Å; E885-D889 WeakPolarHBondContact O-CB 3.47Å; E885-D889 PolarHBondContact O-N 3.27Å
886D39Very low48.7Very low130 Ų130114.9 Ų114.970%0.69561%0.609SS**THydrogen-bonded Turntrans-62-19.9173.8-73.9-31.9000114N882N882-D886 PolarHBondContact O-N 3.15Å
887E34.8Very low46.7Very low164 Ų164119.2 Ų119.277%0.76663%0.631SS**THydrogen-bonded Turntrans-89.6-16.6172.8-76.6-166.416800113.6E885E885-E887 PolarHBondContact O-N 3.4Å; E885-E887 VanDerWaalsContact O-N 3.14Å
888D32.1Very low44.8Very low134 Ų134125.3 Ų125.372%0.71765%0.652SS**THydrogen-bonded Turntrans-110.4-4.8-177.5-84.6-23.2000113.4E885 D890E885-D888 CarbonylContact O-C 3.46Å; E885-D888 PolarHBondContact O-N 3.36Å; D888-D890 PolarHBondContact O-N 3Å; D888-D890 VanDerWaalsContact O-N 3.16Å
889D32.1Very low43.4Very low131 Ų131127 Ų12770%0.70166%0.657SS**THydrogen-bonded Turntrans-7912.9-176.1-107.24.3000116.2E885E885-D889 WeakPolarHBondContact O-CB 3.47Å; E885-D889 PolarHBondContact O-N 3.27Å
890D32.9Very low42.4Very low169 Ų169129 Ų12990%0.90467%0.674SS**THydrogen-bonded Turntrans-87.94.4169.3-93.8-18.9000113.4D888D888-D890 PolarHBondContact O-N 3Å; D888-D890 VanDerWaalsContact O-N 3.16Å
891E33.7Very low41.6Very low167 Ų167130.4 Ų130.478%0.7867%0.673SS**SBendtrans-124.3100.8174.1-83.2-169.5166.400114.1
892D37Very low40.8Very low157 Ų157124.8 Ų124.884%0.8465%0.647SS**  trans69.384143.8-64.8-27.4000118.5
893G31.3Very low40.3Very low79 Ų79122 Ų12281%0.81464%0.636SS**  trans-113.639.3158.900000113.9E895G893-E895 VanDerWaalsContact C-N 3.28Å; G893-E895 PolarHBondContact O-N 3.26Å; G893-E895 VanDerWaalsContact O-N 3.12Å
894E30.8Very low40.1Very low178 Ų178119.2 Ų119.283%0.83263%0.629SS**  trans-76.387.6159.9-81.9-172.1-176.800107.4D896E894-D896 VanDerWaalsContact C-N 3.27Å; E894-D896 PolarHBondContact O-N 2.83Å
895E32.7Very low40.5Very low186 Ų186118.7 Ų118.787%0.86963%0.626SS**  trans-60.397.6160.2-76.7-169.2155.200107.8G893 E897G893-E895 VanDerWaalsContact C-N 3.28Å; G893-E895 PolarHBondContact O-N 3.26Å; G893-E895 VanDerWaalsContact O-N 3.12Å; E895-E897 PolarHBondContact O-N 3.13Å
896D34.3Very low40.8Very low145 Ų145118.3 Ų118.378%0.77562%0.624SS**  trans-58.684.8167.7-92.8-36.9000108.5E894 E898E894-D896 VanDerWaalsContact C-N 3.27Å; E894-D896 PolarHBondContact O-N 2.83Å; D896-E898 PolarHBondContact O-N 2.63Å
897E38.6Very low41.5Very low139 Ų139116.2 Ų116.265%0.6561%0.613SS**  trans-59.891.6157-83.7-173.5-176.600107.3E895 N899E895-E897 PolarHBondContact O-N 3.13Å; E897-N899 PolarHBondContact O-N 3.34Å
898E37.8Very low42.6Very low175 Ų175111.1 Ų111.182%0.81859%0.591SS**  trans-60.186.1161.2-84.6-162.8158.100107.6D896 V900D896-E898 PolarHBondContact O-N 2.63Å; E898-V900 VanDerWaalsContact C-N 3.29Å; E898-V900 WeakPolarHBondContact O-CG2 3.48Å; E898-V900 PolarHBondContact O-N 2.89Å
899N45.3Very low43.5Very low74 Ų74109.6 Ų109.640%0.39658%0.582SS.*  trans-56.797.1165.9-90.7-97.6000106.9E897 E901E897-N899 PolarHBondContact O-N 3.34Å; N899-E901 PolarHBondContact O-N 3.11Å
900V49.2Very low44.4Very low106 Ų106106.7 Ų106.764%0.64257%0.566SS**  trans-64.9100.5-175-178.70000108E898 L902E898-V900 VanDerWaalsContact C-N 3.29Å; E898-V900 WeakPolarHBondContact O-CG2 3.48Å; E898-V900 PolarHBondContact O-N 2.89Å; V900-L902 PolarHBondContact O-N 3.47Å
901E52.1Low45Very low72 Ų72105.2 Ų105.234%0.33655%0.554SS.*  trans-56.8107.7173.8-74.3-170.916600109.2K405 K446 N899 G903K405-E901 WeakPolarHBondContact CE-O 3.33Å; K405-E901 WeakPolarHBondContact CE-OE2 3.39Å; K405-E901 HydrophobicContact CG-CB 4.36Å; K405-E901 PolarHBondContact NZ-O 3.19Å; K446-E901 VanDerWaalsContact CE-OE1 3.31Å; K446-E901 WeakPolarHBondContact CE-OE1 3.31Å; K446-E901 IonicContact NZ-OE1 3.97Å; K446-E901 PolarHBondContact NZ-OE1 3.39Å; N899-E901 PolarHBondContact O-N 3.11Å; E901-G903 PolarHBondContact O-N 3.04Å
902L53.3Low45.4Very low10 Ų10103.9 Ų103.95%0.05255%0.548CS..BIsolated β-bridgetrans-54.8137.7-177.8-64.2170.9000110.9V900 E906 D907 D908V900-L902 PolarHBondContact O-N 3.47Å; L902-E906 HydrophobicContact CB-CB 4.36Å; L902-E906 HydrophobicContact CD2-CB 4.11Å; L902-D907 WeakPolarHBondContact CD2-O 3.44Å; L902-D908 HydrophobicContact CD1-CB 3.97Å
903G50.2Low45.7Very low16 Ų1697.3 Ų97.317%0.16552%0.517CS..  trans-51.7152.8158.600000110.1E901 D905 E906E901-G903 PolarHBondContact O-N 3.04Å; G903-D905 PolarHBondContact O-N 3.35Å; G903-E906 WeakPolarHBondContact CA-OE2 3.36Å; G903-E906 PolarHBondContact N-OE2 3.5Å; G903-E906 PolarHBondContact O-N 3.23Å
904S49.6Very low46.3Very low49 Ų4996.2 Ų96.234%0.34349%0.491SS..THydrogen-bonded Turntrans-42.8-27.2179.9166.20000114.8W339 K343W339-S904 VanDerWaalsContact CD1-O 3.3Å; K343-S904 PolarHBondContact NZ-OG 3.1Å
905D57.3Low46.9Very low91 Ų9194.2 Ų94.249%0.48748%0.481SS..THydrogen-bonded Turntrans-130.316.9-170.2-64.819.4000113.1K340 G903K340-D905 WeakPolarHBondContact CE-OD2 3.38Å; K340-D905 IonicContact NZ-OD2 2.81Å; G903-D905 PolarHBondContact O-N 3.35Å
906E52Low47.4Very low113 Ų11392.2 Ų92.253%0.52847%0.467SS..PPolyproline II helixtrans-98150176.4-71.3166.5-179.900111R404 L902 G903R404-E906 PolarHBondContact NH1-O 3.06Å; L902-E906 HydrophobicContact CB-CB 4.36Å; L902-E906 HydrophobicContact CD2-CB 4.11Å; G903-E906 WeakPolarHBondContact CA-OE2 3.36Å; G903-E906 PolarHBondContact N-OE2 3.5Å; G903-E906 PolarHBondContact O-N 3.23Å
907D54.6Low47.8Very low86 Ų8689.6 Ų89.646%0.4645%0.452SS..PPolyproline II helixtrans-97.5146.5176.8-70.7-36.9000109.5A336 L902A336-D907 WeakPolarHBondContact CA-OD1 3.26Å; A336-D907 WeakPolarHBondContact CB-OD1 3.49Å; A336-D907 PolarHBondContact N-OD1 2.99Å; L902-D907 WeakPolarHBondContact CD2-O 3.44Å
908D57.2Low48Very low57 Ų5786.7 Ų86.731%0.30544%0.439SS..PPolyproline II helixtrans-85.1120.1168.1-135-4.9000107.7K403 L902K403-D908 IonicContact NZ-OD2 3.27Å; K403-D908 PolarHBondContact NZ-OD2 3.44Å; L902-D908 HydrophobicContact CD1-CB 3.97Å
909I51.9Low48.1Very low101 Ų10183.7 Ų83.752%0.51843%0.426SS..  trans-107106.2165-56.2176.4000104.4E911I909-E911 HydrophobicContact CB-CG 4.36Å; I909-E911 HydrophobicContact CG2-CG 3.76Å; I909-E911 PolarHBondContact O-N 3.19Å
910D50Low47.7Very low70 Ų7084.2 Ų84.237%0.37443%0.428SS..  trans-73.780.3173.9-176.54.9000108.2E912 G913 Q914D910-E912 VanDerWaalsContact C-N 3.27Å; D910-E912 PolarHBondContact O-N 2.68Å; D910-G913 PolarHBondContact OD1-N 3.27Å; D910-Q914 WeakPolarHBondContact O-CB 3.38Å; D910-Q914 PolarHBondContact O-N 3.22Å
911E46.9Very low47.1Very low139 Ų13981.9 Ų81.965%0.6542%0.42SS*.Hα-helixtrans-64.5-32.8-177.2-69.5-176.3169.200111.1I909 E915I909-E911 HydrophobicContact CB-CG 4.36Å; I909-E911 HydrophobicContact CG2-CG 3.76Å; I909-E911 PolarHBondContact O-N 3.19Å; E911-E915 PolarHBondContact O-N 3.09Å; E911-E915 VanDerWaalsContact O-N 3.08Å
912E41.3Very low46.4Very low138 Ų13885.1 Ų85.165%0.64543%0.433SS*.Hα-helixtrans-76.8-42.8178.8-81.4171.7168.700113.4D910 Q914 E915 Y916D910-E912 VanDerWaalsContact C-N 3.27Å; D910-E912 PolarHBondContact O-N 2.68Å; E912-Q914 PolarHBondContact O-N 2.69Å; E912-E915 PolarHBondContact O-N 3.47Å; E912-E915 VanDerWaalsContact O-N 3.11Å; E912-Y916 WeakPolarHBondContact O-CB 3.32Å; E912-Y916 PolarHBondContact O-N 3.26Å
913G43.7Very low45.7Very low19 Ų1991.7 Ų91.720%0.19646%0.463CS..Hα-helixtrans-61.7-28.6172.200000112.2D910 L917D910-G913 PolarHBondContact OD1-N 3.27Å; G913-L917 VanDerWaalsContact O-CB 3.25Å; G913-L917 WeakPolarHBondContact O-CB 3.4Å; G913-L917 WeakPolarHBondContact O-CD1 3.47Å; G913-L917 VanDerWaalsContact O-CG 3.29Å; G913-L917 WeakPolarHBondContact O-CG 3.38Å; G913-L917 PolarHBondContact O-N 3.47Å
914Q44Very low44.9Very low56 Ų5694.9 Ų94.926%0.26249%0.489SS..Hα-helixtrans-73.6-38.9173.8-152.1170.722.700112G279 D910 E912 E918G279-Q914 VanDerWaalsContact O-CD 3.22Å; G279-Q914 PolarHBondContact O-NE2 2.91Å; D910-Q914 WeakPolarHBondContact O-CB 3.38Å; D910-Q914 PolarHBondContact O-N 3.22Å; E912-Q914 PolarHBondContact O-N 2.69Å; Q914-E918 VanDerWaalsContact O-CB 3.31Å; Q914-E918 WeakPolarHBondContact O-CB 3.39Å; Q914-E918 VanDerWaalsContact O-CG 3.31Å; Q914-E918 WeakPolarHBondContact O-CG 3.4Å; Q914-E918 PolarHBondContact O-N 3.41Å
915E43.4Very low44.1Very low136 Ų13695.5 Ų95.564%0.63650%0.503SS*.Hα-helixtrans-66.7-41171.7-80-173.9163.400112.4E911 E912 E918 M919E911-E915 PolarHBondContact O-N 3.09Å; E911-E915 VanDerWaalsContact O-N 3.08Å; E912-E915 PolarHBondContact O-N 3.47Å; E912-E915 VanDerWaalsContact O-N 3.11Å; E915-E918 CarbonylContact O-C 3.57Å; E915-E918 PolarHBondContact O-N 3.33Å; E915-M919 PolarHBondContact O-N 2.74Å
916Y42.3Very low42.9Very low145 Ų14597.5 Ų97.557%0.56951%0.509SS*.Hα-helixtrans-66.7-42.6176.2-175.4-106000112.4E912 E918 M919 L920E912-Y916 WeakPolarHBondContact O-CB 3.32Å; E912-Y916 PolarHBondContact O-N 3.26Å; Y916-E918 VanDerWaalsContact C-N 3.31Å; Y916-E918 PolarHBondContact O-N 3.13Å; Y916-M919 WeakPolarHBondContact O-CB 3.47Å; Y916-M919 PolarHBondContact O-N 3.25Å; Y916-L920 HydrophobicContact CD1-CD1 3.75Å; Y916-L920 HydrophobicContact CE1-CD1 3.33Å; Y916-L920 HydrophobicContact CE1-CG 4.26Å; Y916-L920 WeakPolarHBondContact O-CB 3.41Å; Y916-L920 PolarHBondContact O-N 3.1Å
917L42.3Very low42Very low89 Ų89100.2 Ų100.247%0.46653%0.527SS..Hα-helixtrans-66.9-31.2172.5-80.1164.2000112.4G913 A921G913-L917 VanDerWaalsContact O-CB 3.25Å; G913-L917 WeakPolarHBondContact O-CB 3.4Å; G913-L917 WeakPolarHBondContact O-CD1 3.47Å; G913-L917 VanDerWaalsContact O-CG 3.29Å; G913-L917 WeakPolarHBondContact O-CG 3.38Å; G913-L917 PolarHBondContact O-N 3.47Å; L917-A921 WeakPolarHBondContact O-CB 3.39Å; L917-A921 PolarHBondContact O-N 3.29Å
918E43.1Very low40.9Very low79 Ų7998.8 Ų98.837%0.36953%0.533SS..Hα-helixtrans-71.1-38171.2-81.7-173.3-167.200112.2K283 Q914 E915 Y916 A921 K922K283-E918 WeakPolarHBondContact CE-OE1 3.43Å; K283-E918 IonicContact NZ-OE1 3.31Å; K283-E918 PolarHBondContact NZ-OE1 3.26Å; K283-E918 IonicContact NZ-OE2 3.03Å; K283-E918 PolarHBondContact NZ-OE2 3.35Å; Q914-E918 VanDerWaalsContact O-CB 3.31Å; Q914-E918 WeakPolarHBondContact O-CB 3.39Å; Q914-E918 VanDerWaalsContact O-CG 3.31Å; Q914-E918 WeakPolarHBondContact O-CG 3.4Å; Q914-E918 PolarHBondContact O-N 3.41Å; E915-E918 CarbonylContact O-C 3.57Å; E915-E918 PolarHBondContact O-N 3.33Å; Y916-E918 VanDerWaalsContact C-N 3.31Å; Y916-E918 PolarHBondContact O-N 3.13Å; E918-A921 PolarHBondContact O-N 3.46Å; E918-K922 WeakPolarHBondContact O-CB 3.19Å; E918-K922 PolarHBondContact O-N 3.29Å
919M40.7Very low39.9Very low111 Ų111103.7 Ų103.755%0.54756%0.559SS.*Hα-helixtrans-62.1-47.7171.7-102.4-157.6-81.200111.6E915 Y916 A921 K922 H923E915-M919 PolarHBondContact O-N 2.74Å; Y916-M919 WeakPolarHBondContact O-CB 3.47Å; Y916-M919 PolarHBondContact O-N 3.25Å; M919-A921 VanDerWaalsContact C-N 3.33Å; M919-A921 PolarHBondContact O-N 3.32Å; M919-K922 WeakPolarHBondContact O-CB 3.38Å; M919-K922 PolarHBondContact O-N 3.37Å; M919-H923 PolarHBondContact O-N 2.82Å; M919-H923 PolarHBondContact O-ND1 3.45Å
920L36.3Very low38.7Very low85 Ų85106.7 Ų106.745%0.44558%0.576SS.*Hα-helixtrans-64.8-35.6175.8-79.9168.4000112.5Y916 A924Y916-L920 HydrophobicContact CD1-CD1 3.75Å; Y916-L920 HydrophobicContact CE1-CD1 3.33Å; Y916-L920 HydrophobicContact CE1-CG 4.26Å; Y916-L920 WeakPolarHBondContact O-CB 3.41Å; Y916-L920 PolarHBondContact O-N 3.1Å; L920-A924 WeakPolarHBondContact O-CB 3.28Å; L920-A924 PolarHBondContact O-N 2.99Å
921A36.1Very low37.9Very low58 Ų58111.1 Ų111.148%0.47960%0.595SS.*Hα-helixtrans-72.2-31.5176.200000112.8L917 E918 M919 G925L917-A921 WeakPolarHBondContact O-CB 3.39Å; L917-A921 PolarHBondContact O-N 3.29Å; E918-A921 PolarHBondContact O-N 3.46Å; M919-A921 VanDerWaalsContact C-N 3.33Å; M919-A921 PolarHBondContact O-N 3.32Å; A921-G925 PolarHBondContact O-N 3.42Å
922K38.5Very low36.9Very low140 Ų140112.5 Ų112.561%0.60961%0.607SS**Hα-helixtrans-65.2-51.4168-96.3-175.2161.8-1620111E918 M919 A924 G925 E926E918-K922 WeakPolarHBondContact O-CB 3.19Å; E918-K922 PolarHBondContact O-N 3.29Å; M919-K922 WeakPolarHBondContact O-CB 3.38Å; M919-K922 PolarHBondContact O-N 3.37Å; K922-A924 VanDerWaalsContact C-N 3.31Å; K922-A924 PolarHBondContact O-N 3.22Å; K922-G925 PolarHBondContact O-N 3.16Å; K922-G925 VanDerWaalsContact O-N 3.09Å; K922-E926 PolarHBondContact O-N 3.39Å
923H37.7Very low36.4Very low147 Ų147114.9 Ų114.968%0.68161%0.61SS**Hα-helixtrans-63.3-32.8179.2-7870000113.2M919 G925M919-H923 PolarHBondContact O-N 2.82Å; M919-H923 PolarHBondContact O-ND1 3.45Å; H923-G925 VanDerWaalsContact C-N 3.32Å; H923-G925 PolarHBondContact O-N 3.28Å
924A33.7Very low35.7Very low84 Ų84121.8 Ų121.869%0.69464%0.642SS**THydrogen-bonded Turntrans-80.3-9.5177.400000114.3L920 K922L920-A924 WeakPolarHBondContact O-CB 3.28Å; L920-A924 PolarHBondContact O-N 2.99Å; K922-A924 VanDerWaalsContact C-N 3.31Å; K922-A924 PolarHBondContact O-N 3.22Å
925G32.2Very low35.1Very low62 Ų62128.1 Ų128.164%0.63967%0.672SS**THydrogen-bonded Turntrans-104.9-13.9-176.500000115.3A921 K922 H923A921-G925 PolarHBondContact O-N 3.42Å; K922-G925 PolarHBondContact O-N 3.16Å; K922-G925 VanDerWaalsContact O-N 3.09Å; H923-G925 VanDerWaalsContact C-N 3.32Å; H923-G925 PolarHBondContact O-N 3.28Å
926E33.3Very low34.7Very low132 Ų132127 Ų12762%0.61767%0.67SS**  trans-113.971.9-171.3-75.5170.1178.900111.2K922 G928K922-E926 PolarHBondContact O-N 3.39Å; E926-G928 VanDerWaalsContact C-N 3.28Å
927D32.9Very low34.4Very low170 Ų170124 Ų12491%0.90966%0.664SS**SBendtrans-9936.8160.4-115.5-15.6000109.8
928G30.9Very low34.4Very low57 Ų57122.7 Ų122.759%0.58867%0.666SS**SBendtrans-169.7100.3-179.200000113.3E926E926-G928 VanDerWaalsContact C-N 3.28Å
929D36.3Very low34.4Very low160 Ų160125.5 Ų125.586%0.85668%0.679SS**  trans38.195.4158.7-72-16.2000116.2
930D26.5Very low35.1Very low164 Ų164125.9 Ų125.988%0.87768%0.68SS**  -154.8125.9130-95.4-28.5000110.5
931E34.2Very low36.3Very low162 Ų162123.2 Ų123.276%0.75767%0.667SS**  trans-72.7108.4-175.9-74.1176.416800112.2
932D24.6Very low37.7Very low169 Ų169124.8 Ų124.890%0.90468%0.68SS**  trans-115.788.7156-92.6-22.8000108
933W32.4Very low39.5Very low187 Ų187118.2 Ų118.271%0.70865%0.652SS**  trans-98.927-168.6-88.284.3000115.4
934D28.5Very low41.2Very low164 Ų164112.8 Ų112.888%0.87763%0.626SS**SBendtrans-113.75.7-166.5-80.4-27.3000116.9
935E30.5Very low43Very low189 Ų189111.7 Ų111.788%0.88362%0.624SS**SBendtrans-128.7-10.3176.7-98.5171.8179.500118.2
936D35.1Very low45.3Very low113 Ų113110.3 Ų110.360%0.60460%0.599SS**  trans-103.824.6-173.6-66.5-25.3000115.9A938D936-A938 PolarHBondContact O-N 3.14Å
937D36.4Very low47.5Very low82 Ų82108 Ų10844%0.43959%0.594SS.*THydrogen-bonded Turntrans-72.42.2-174.6-126.98.7000114.1R834 R874R834-D937 PolarHBondContact NH2-O 2.85Å; R874-D937 IonicContact NH1-OD2 2.64Å; R874-D937 PolarHBondContact NH1-OD2 2.99Å
938A41.7Very low49.9Very low61 Ų61100.3 Ų100.350%0.50455%0.553SS.*THydrogen-bonded Turntrans-13517.4-169.700000115.1D936 E940D936-A938 PolarHBondContact O-N 3.14Å; A938-E940 PolarHBondContact O-N 3.14Å
939E44.8Very low52.1Low138 Ų13899.6 Ų99.665%0.64554%0.542SS*.  trans-71.9114.3166.8-72.5-169.2152.500109.6T941E939-T941 PolarHBondContact O-N 3.15Å
940E53.8Low54.1Low119 Ų11992.2 Ų92.256%0.55650%0.503SS*.  trans-60.7125.4166.6-73.3-174.8165.600108.4A938A938-E940 PolarHBondContact O-N 3.14Å
941T62.6Low56.6Low29 Ų2986.3 Ų86.318%0.17847%0.471CS..  trans-70.7145.3177.964.30000109.2E939 L943 E944E939-T941 PolarHBondContact O-N 3.15Å; T941-L943 PolarHBondContact O-N 3.15Å; T941-E944 PolarHBondContact N-OE1 2.97Å; T941-E944 WeakPolarHBondContact O-CB 3.21Å; T941-E944 WeakPolarHBondContact O-CG 3.31Å; T941-E944 PolarHBondContact O-N 2.97Å
942A64.7Low58.3Low91 Ų9181.6 Ų81.675%0.75245%0.451SS*.G310 helixtrans-55.2-22.2179.300000113.1E944A942-E944 VanDerWaalsContact C-N 3.32Å; A942-E944 PolarHBondContact O-N 3.33Å
943L77.4Confident60.1Low3 Ų380.8 Ų80.82%0.01644%0.442CS..G310 helixtrans-75.5-13.3176.8-63171000114.1C736 K740 M781 T941 G945 Y946C736-L943 HydrophobicContact CB-CD1 3.81Å; K740-L943 HydrophobicContact CB-CD2 4.37Å; K740-L943 HydrophobicContact CG-CD2 4.45Å; M781-L943 HydrophobicContact CG-CD1 4Å; M781-L943 HydrophobicContact SD-CD1 3.75Å; T941-L943 PolarHBondContact O-N 3.15Å; L943-G945 PolarHBondContact O-N 3.4Å; L943-Y946 HydrophobicContact CD2-CD2 4.12Å; L943-Y946 HydrophobicContact CD2-CE2 4Å; L943-Y946 PolarHBondContact O-N 2.93Å
944E72.9Confident61.1Low32 Ų3277.6 Ų77.615%0.1544%0.439CS..G310 helixtrans-68.5-23175.4-65.7-155.5-130.300112.8G830 L831 H832 T941 A942 Y946G830-E944 WeakPolarHBondContact CA-OE1 3.44Å; L831-E944 WeakPolarHBondContact CB-OE2 3.33Å; L831-E944 VanDerWaalsContact N-CD 3.35Å; L831-E944 PolarHBondContact N-OE1 3.36Å; L831-E944 VanDerWaalsContact N-OE1 3.14Å; L831-E944 PolarHBondContact N-OE2 2.85Å; H832-E944 PolarHBondContact N-OE2 3.24Å; T941-E944 PolarHBondContact N-OE1 2.97Å; T941-E944 WeakPolarHBondContact O-CB 3.21Å; T941-E944 WeakPolarHBondContact O-CG 3.31Å; T941-E944 PolarHBondContact O-N 2.97Å; A942-E944 VanDerWaalsContact C-N 3.32Å; A942-E944 PolarHBondContact O-N 3.33Å; E944-Y946 PolarHBondContact O-N 3.24Å; E944-Y946 VanDerWaalsContact O-N 3.14Å
945G70.7Confident62.6Low62 Ų6275.3 Ų75.364%0.63943%0.427SS*.G310 helixtrans-59.8-21.3171.500000113.6L943 T947L943-G945 PolarHBondContact O-N 3.4Å; G945-T947 PolarHBondContact O-N 3.42Å; G945-T947 VanDerWaalsContact O-N 3.07Å
946Y80.8Confident64.2Low33 Ų3370 Ų7013%0.12940%0.404CS..SBendtrans-86.373.3177-59.6-63.3000112.5M694 P695 H698 H737 K740 L943 E944M694-Y946 HydrophobicContact CE-CD1 4.04Å; M694-Y946 HydrophobicContact CE-CD2 3.99Å; M694-Y946 HydrophobicContact CE-CE1 4.29Å; M694-Y946 HydrophobicContact CE-CE2 4.22Å; M694-Y946 HydrophobicContact CE-CG 3.88Å; M694-Y946 HydrophobicContact CG-CD1 4.48Å; M694-Y946 HydrophobicContact CG-CE1 3.82Å; M694-Y946 HydrophobicContact CG-CE2 3.88Å; M694-Y946 VanDerWaalsContact CG-CZ 3.47Å; M694-Y946 WeakPolarHBondContact CG-OH 3.48Å; P695-Y946 HydrophobicContact CB-CE1 4.47Å; P695-Y946 HydrophobicContact CG-CE1 4.27Å; H698-Y946 HydrophobicContact CB-CD1 4.05Å; H698-Y946 HydrophobicContact CB-CE1 4.45Å; H698-Y946 AromaticContact CD2-CD1 3.84Å; H698-Y946 AromaticContact CG-CD1 3.87Å; H737-Y946 AromaticContact CD2-CE2 3.86Å; K740-Y946 HydrophobicContact CG-CD2 4.35Å; L943-Y946 HydrophobicContact CD2-CD2 4.12Å; L943-Y946 HydrophobicContact CD2-CE2 4Å; L943-Y946 PolarHBondContact O-N 2.93Å; E944-Y946 PolarHBondContact O-N 3.24Å; E944-Y946 VanDerWaalsContact O-N 3.14Å
947T80.8Confident66.1Low83 Ų8366 Ų6651%0.50938%0.383SS..  trans-56.7153.4178.363.40000113.8H698 G945H698-T947 PolarHBondContact NE2-O 3.27Å; G945-T947 PolarHBondContact O-N 3.42Å; G945-T947 VanDerWaalsContact O-N 3.07Å
948T81.7Confident68.2Low8 Ų862.7 Ų62.75%0.04937%0.366CS..  trans-129.9171.7177.173.30000111.8V744 L747 H832 V950 D951 D952V744-T948 HydrophobicContact CB-CG2 4.37Å; V744-T948 HydrophobicContact CG1-CG2 4.4Å; V744-T948 HydrophobicContact CG2-CG2 3.9Å; L747-T948 HydrophobicContact CD1-CG2 4.06Å; H832-T948 PolarHBondContact CE1-OG1 3.37Å; T948-V950 PolarHBondContact O-N 3.36Å; T948-V950 PolarHBondContact OG1-N 2.93Å; T948-D951 WeakPolarHBondContact CB-OD2 3.47Å; T948-D951 PolarHBondContact N-OD2 3.43Å; T948-D951 PolarHBondContact O-N 3.31Å; T948-D951 PolarHBondContact OG1-OD2 3.04Å; T948-D952 PolarHBondContact O-N 3.03Å
949A77.9Confident70.3Confident42 Ų4259.8 Ų59.835%0.34734%0.342SS..THydrogen-bonded Turntrans-56.9-14.4171.100000115.1D951A949-D951 VanDerWaalsContact C-N 3.34Å
950V78.6Confident72.3Confident6 Ų653.3 Ų53.34%0.03631%0.311CS..THydrogen-bonded Turntrans-81.6-20.4175.1-178.70000111.5L747 Y791 K835 I836 L839 T948 V957L747-V950 HydrophobicContact CB-CG2 4.49Å; L747-V950 HydrophobicContact CD1-CG2 4.33Å; L747-V950 HydrophobicContact CD2-CG2 4.14Å; Y791-V950 HydrophobicContact CE1-CG2 4.1Å; K835-V950 HydrophobicContact CD-CG1 4.2Å; K835-V950 PolarHBondContact NZ-O 3.3Å; I836-V950 HydrophobicContact CD1-CB 4.18Å; I836-V950 HydrophobicContact CD1-CG1 3.94Å; I836-V950 HydrophobicContact CD1-CG2 4.08Å; L839-V950 HydrophobicContact CD1-CG1 3.68Å; T948-V950 PolarHBondContact O-N 3.36Å; T948-V950 PolarHBondContact OG1-N 2.93Å; V950-V957 HydrophobicContact CG1-CB 4.28Å
951D77.8Confident73.8Confident39 Ų3950.6 Ų50.621%0.20930%0.299CS..THydrogen-bonded Turntrans-98.6-11.3-176-46.6-54000112.3H832 T948 A949 E953H832-D951 IonicContact CE1-OD1 2.88Å; H832-D951 IonicContact CE1-OD2 3.66Å; H832-D951 PolarHBondContact CE1-OD2 3.3Å; H832-D951 IonicContact CG-OD1 3.45Å; H832-D951 IonicContact CG-OD2 3.91Å; H832-D951 IonicContact ND1-OD1 2.59Å; H832-D951 PolarHBondContact ND1-OD1 2.99Å; H832-D951 IonicContact ND1-OD2 2.59Å; H832-D951 PolarHBondContact ND1-OD2 2.82Å; T948-D951 WeakPolarHBondContact CB-OD2 3.47Å; T948-D951 PolarHBondContact N-OD2 3.43Å; T948-D951 PolarHBondContact O-N 3.31Å; T948-D951 PolarHBondContact OG1-OD2 3.04Å; A949-D951 VanDerWaalsContact C-N 3.34Å; D951-E953 PolarHBondContact O-N 3.22Å
952D70.9Confident75Confident63 Ų6351.9 Ų51.934%0.33730%0.304SS..  trans-54.8116.8177.1-1807.4000112.1T948 D954 N955 L956T948-D952 PolarHBondContact O-N 3.03Å; D952-D954 VanDerWaalsContact C-N 3.28Å; D952-D954 PolarHBondContact O-N 3.25Å; D952-D954 PolarHBondContact OD1-N 3.17Å; D952-N955 CarbonylContact O-C 3.59Å; D952-N955 PolarHBondContact O-N 2.98Å; D952-N955 PolarHBondContact OD2-ND2 3.5Å; D952-L956 WeakPolarHBondContact O-CA 3.04Å; D952-L956 PolarHBondContact O-N 3.31Å
953E62Low76.2Confident152 Ų15248 Ų4871%0.7127%0.27SS*.G310 helixtrans-64.2-30.5179.4-61.7-158.414100113.4D951D951-E953 PolarHBondContact O-N 3.22Å
954D53.7Low76.7Confident121 Ų12149.7 Ų49.765%0.64728%0.277SS*.G310 helixtrans-79.3-21.9-178.8-85.3-31.9000112.2D952 K1014D952-D954 VanDerWaalsContact C-N 3.28Å; D952-D954 PolarHBondContact O-N 3.25Å; D952-D954 PolarHBondContact OD1-N 3.17Å; D954-K1014 IonicContact OD1-NZ 2.71Å; D954-K1014 PolarHBondContact OD1-NZ 3.34Å
955N59.3Low77.5Confident116 Ų11650.2 Ų50.262%0.6229%0.287SS*.G310 helixtrans-122.246.9174.1-69.1-62.2000112.3D952 V957D952-N955 CarbonylContact O-C 3.59Å; D952-N955 PolarHBondContact O-N 2.98Å; D952-N955 PolarHBondContact OD2-ND2 3.5Å; N955-V957 PolarHBondContact O-N 3.34Å
956L65.3Low78.3Confident77 Ų7748.1 Ų48.140%0.40326%0.261SS..  trans-53.1111.5-171.5-155.7104.9000113.4D952 D958D952-L956 WeakPolarHBondContact O-CA 3.04Å; D952-L956 PolarHBondContact O-N 3.31Å; L956-D958 HydrophobicContact CD2-CB 4.36Å; L956-D958 PolarHBondContact O-N 3.26Å
957V74.8Confident78.7Confident28 Ų2847.6 Ų47.617%0.1726%0.26CS..  trans-79.494.3169.5-178.70000108.2K835 L839 V950 N955 E959 I962K835-V957 WeakPolarHBondContact CE-O 3.35Å; L839-V957 HydrophobicContact CD1-CG1 3.95Å; L839-V957 HydrophobicContact CD2-CG1 4.13Å; V950-V957 HydrophobicContact CG1-CB 4.28Å; N955-V957 PolarHBondContact O-N 3.34Å; V957-E959 PolarHBondContact O-N 3.24Å; V957-I962 HydrophobicContact CG1-CD1 3.48Å; V957-I962 VanDerWaalsContact CG1-CD1 3.48Å
958D81.2Confident79Confident14 Ų1448.5 Ų48.58%0.07526%0.259CS..  trans-77.8101.8-179.9-172.6-31.8000111.5L956 Y960 Q961 I962L956-D958 HydrophobicContact CD2-CB 4.36Å; L956-D958 PolarHBondContact O-N 3.26Å; D958-Y960 VanDerWaalsContact C-N 3.27Å; D958-Y960 PolarHBondContact O-N 2.77Å; D958-Y960 WeakPolarHBondContact OD1-CA 3.12Å; D958-Y960 WeakPolarHBondContact OD1-CB 3.44Å; D958-Y960 PolarHBondContact OD1-N 3.28Å; D958-Q961 HydrophobicContact CB-CB 4.11Å; D958-Q961 HydrophobicContact CB-CG 4.1Å; D958-Q961 PolarHBondContact O-N 3.31Å; D958-Q961 PolarHBondContact OD1-N 3.33Å; D958-Q961 WeakPolarHBondContact OD2-CG 3.5Å; D958-Q961 PolarHBondContact OD2-NE2 2.83Å; D958-I962 WeakPolarHBondContact O-CG1 3.35Å; D958-I962 PolarHBondContact O-N 3.21Å
959E85.6Confident79.3Confident0 Ų052.4 Ų52.40%028%0.279CS..Hα-helixtrans-60.8-31.7-179.565.9-74.9171.300113.2K835 V838 L839 F869 L872 Y876 V957 F963 R1003K835-E959 VanDerWaalsContact CE-OE2 3.3Å; K835-E959 WeakPolarHBondContact CE-OE2 3.38Å; K835-E959 HydrophobicContact CG-CB 4.37Å; K835-E959 HydrophobicContact CG-CG 4.35Å; V838-E959 HydrophobicContact CG1-CB 4.06Å; V838-E959 HydrophobicContact CG1-CG 4.45Å; L839-E959 HydrophobicContact CD2-CB 4.12Å; L839-E959 HydrophobicContact CG-CB 4.43Å; F869-E959 HydrophobicContact CE1-CG 4.01Å; L872-E959 HydrophobicContact CD1-CG 4.07Å; Y876-E959 WeakPolarHBondContact CE2-OE1 3.47Å; Y876-E959 PolarHBondContact OH-OE1 3.07Å; Y876-E959 PolarHBondContact OH-OE2 2.89Å; V957-E959 PolarHBondContact O-N 3.24Å; E959-F963 VanDerWaalsContact O-CB 3.27Å; E959-F963 WeakPolarHBondContact O-CB 3.49Å; E959-F963 PolarHBondContact O-N 2.81Å; E959-R1003 IonicContact OE1-NH1 3.34Å; E959-R1003 PolarHBondContact OE1-NH1 3.03Å
960Y85.8Confident79.8Confident2 Ų250.4 Ų50.41%0.00826%0.263CS..Hα-helixtrans-71.3-41.2178.4-72.7-101.8000111F869 Y876 D958 K964 I996 L999F869-Y960 HydrophobicContact CB-CE1 4.47Å; F869-Y960 AromaticContact CD1-CD1 3.82Å; F869-Y960 HydrophobicContact CD1-CD1 3.82Å; F869-Y960 HydrophobicContact CD1-CD2 4.17Å; F869-Y960 AromaticContact CD1-CE1 3.38Å; F869-Y960 HydrophobicContact CD1-CE1 3.38Å; F869-Y960 AromaticContact CD1-CE2 3.79Å; F869-Y960 HydrophobicContact CD1-CE2 3.79Å; F869-Y960 HydrophobicContact CD1-CG 4.19Å; F869-Y960 AromaticContact CD1-CZ 3.39Å; F869-Y960 AromaticContact CE1-CD1 3.77Å; F869-Y960 HydrophobicContact CE1-CD1 3.77Å; F869-Y960 AromaticContact CE1-CD2 3.84Å; F869-Y960 HydrophobicContact CE1-CD2 3.84Å; F869-Y960 AromaticContact CE1-CE1 3.83Å; F869-Y960 HydrophobicContact CE1-CE1 3.83Å; F869-Y960 AromaticContact CE1-CE2 3.91Å; F869-Y960 HydrophobicContact CE1-CE2 3.91Å; F869-Y960 AromaticContact CE1-CG 3.77Å; F869-Y960 HydrophobicContact CE1-CG 3.77Å; F869-Y960 AromaticContact CE1-CZ 3.93Å; F869-Y960 HydrophobicContact CG-CE1 4.19Å; F869-Y960 PolarHBondContact O-OH 3.17Å; Y876-Y960 HydrophobicContact CE2-CE2 4.27Å; D958-Y960 VanDerWaalsContact C-N 3.27Å; D958-Y960 PolarHBondContact O-N 2.77Å; D958-Y960 WeakPolarHBondContact OD1-CA 3.12Å; D958-Y960 WeakPolarHBondContact OD1-CB 3.44Å; D958-Y960 PolarHBondContact OD1-N 3.28Å; Y960-K964 WeakPolarHBondContact O-CB 3.41Å; Y960-K964 PolarHBondContact O-N 2.98Å; Y960-K964 VanDerWaalsContact O-N 3.1Å; Y960-I996 HydrophobicContact CD1-CG2 3.78Å; Y960-I996 HydrophobicContact CE1-CG2 4.12Å; Y960-L999 HydrophobicContact CD1-CB 4.45Å; Y960-L999 HydrophobicContact CD1-CD2 4.21Å; Y960-L999 HydrophobicContact CD1-CG 4.45Å; Y960-L999 HydrophobicContact CE1-CD2 3.62Å; Y960-L999 HydrophobicContact CE1-CG 4.34Å
961Q86.3Confident80.1Confident62 Ų6255 Ų5529%0.2928%0.284SS..Hα-helixtrans-67.4-43.1176.2-70.5-176.247.800111.9D958 K964 A965 R1004D958-Q961 HydrophobicContact CB-CB 4.11Å; D958-Q961 HydrophobicContact CB-CG 4.1Å; D958-Q961 PolarHBondContact O-N 3.31Å; D958-Q961 PolarHBondContact OD1-N 3.33Å; D958-Q961 WeakPolarHBondContact OD2-CG 3.5Å; D958-Q961 PolarHBondContact OD2-NE2 2.83Å; Q961-K964 PolarHBondContact O-N 3.14Å; Q961-A965 WeakPolarHBondContact O-CB 3.27Å; Q961-A965 PolarHBondContact O-N 3.23Å; Q961-R1004 HydrophobicContact CG-CB 4.38Å
962I87Confident80.5Confident55 Ų5558.6 Ų58.628%0.28231%0.308SS..Hα-helixtrans-61.6-49.8178.2-69.6167.7000110.5L839 C842 V957 D958 K964 A965 I966L839-I962 HydrophobicContact CD2-CB 4.49Å; L839-I962 HydrophobicContact CD2-CD1 3.72Å; L839-I962 HydrophobicContact CD2-CG2 4.33Å; C842-I962 HydrophobicContact CB-CG2 4.31Å; V957-I962 HydrophobicContact CG1-CD1 3.48Å; V957-I962 VanDerWaalsContact CG1-CD1 3.48Å; D958-I962 WeakPolarHBondContact O-CG1 3.35Å; D958-I962 PolarHBondContact O-N 3.21Å; I962-K964 PolarHBondContact O-N 3.47Å; I962-A965 PolarHBondContact O-N 3.25Å; I962-I966 HydrophobicContact CG2-CD1 3.67Å; I962-I966 WeakPolarHBondContact O-CG1 3.38Å; I962-I966 PolarHBondContact O-N 2.98Å
963F90.3Very high81.3Confident9 Ų961.2 Ų61.24%0.03931%0.313CS..Hα-helixtrans-58.9-46.2179177.6-103000112.1L862 A865 F869 E959 A965 I966 L967 L993 I996L862-F963 HydrophobicContact CD2-CE2 4.08Å; L862-F963 HydrophobicContact CD2-CZ 3.84Å; A865-F963 HydrophobicContact CB-CE2 4.03Å; A865-F963 HydrophobicContact CB-CZ 4.37Å; F869-F963 HydrophobicContact CE2-CB 4.02Å; F869-F963 AromaticContact CE2-CD1 3.67Å; F869-F963 HydrophobicContact CE2-CD1 3.67Å; F869-F963 AromaticContact CE2-CD2 3.91Å; F869-F963 HydrophobicContact CE2-CD2 3.91Å; F869-F963 HydrophobicContact CE2-CE1 4.04Å; F869-F963 HydrophobicContact CE2-CE2 4.26Å; F869-F963 AromaticContact CE2-CG 3.59Å; F869-F963 HydrophobicContact CE2-CG 3.59Å; F869-F963 HydrophobicContact CE2-CZ 4.31Å; F869-F963 HydrophobicContact CZ-CB 3.64Å; F869-F963 HydrophobicContact CZ-CD1 4.02Å; F869-F963 HydrophobicContact CZ-CD2 4.36Å; F869-F963 AromaticContact CZ-CG 3.76Å; F869-F963 HydrophobicContact CZ-CG 3.76Å; E959-F963 VanDerWaalsContact O-CB 3.27Å; E959-F963 WeakPolarHBondContact O-CB 3.49Å; E959-F963 PolarHBondContact O-N 2.81Å; F963-A965 PolarHBondContact O-N 3.23Å; F963-I966 PolarHBondContact O-N 3.14Å; F963-L967 HydrophobicContact CE1-CD2 4.27Å; F963-L967 HydrophobicContact CZ-CD2 4.44Å; F963-L967 WeakPolarHBondContact O-CB 3.47Å; F963-L967 PolarHBondContact O-N 3.07Å; F963-L993 HydrophobicContact CE1-CD1 3.67Å; F963-L993 HydrophobicContact CZ-CD1 3.86Å; F963-I996 HydrophobicContact CD1-CG2 4.17Å; F963-I996 HydrophobicContact CE1-CG2 4.36Å
964K88.4Confident82.4Confident39 Ų3956 Ų5617%0.1729%0.29CS..Hα-helixtrans-61-45.5177.7-178.8175.2-176.2168.50112.3Y960 Q961 I962 L967 Q968 G997 A1000 D1001Y960-K964 WeakPolarHBondContact O-CB 3.41Å; Y960-K964 PolarHBondContact O-N 2.98Å; Y960-K964 VanDerWaalsContact O-N 3.1Å; Q961-K964 PolarHBondContact O-N 3.14Å; I962-K964 PolarHBondContact O-N 3.47Å; K964-L967 PolarHBondContact O-N 3.35Å; K964-Q968 WeakPolarHBondContact O-CG 3.45Å; K964-Q968 PolarHBondContact O-N 3.15Å; K964-G997 PolarHBondContact NZ-O 3.13Å; K964-A1000 HydrophobicContact CB-CB 4.37Å; K964-A1000 HydrophobicContact CD-CB 3.94Å; K964-D1001 IonicContact NZ-OD1 2.64Å; K964-D1001 PolarHBondContact NZ-OD1 2.86Å; K964-D1001 IonicContact NZ-OD2 2.84Å; K964-D1001 PolarHBondContact NZ-OD2 3.4Å
965A88.5Confident83.9Confident43 Ų4353.9 Ų53.936%0.35528%0.282SS..Hα-helixtrans-62.2-44.4179.700000111.5Q961 I962 F963 Q968 N969Q961-A965 WeakPolarHBondContact O-CB 3.27Å; Q961-A965 PolarHBondContact O-N 3.23Å; I962-A965 PolarHBondContact O-N 3.25Å; F963-A965 PolarHBondContact O-N 3.23Å; A965-Q968 PolarHBondContact O-N 3Å; A965-N969 VanDerWaalsContact O-CB 3.32Å; A965-N969 WeakPolarHBondContact O-CB 3.22Å; A965-N969 PolarHBondContact O-N 3.43Å; A965-N969 PolarHBondContact O-ND2 2.86Å
966I88.8Confident85.2Confident19 Ų1951.5 Ų51.510%0.09728%0.279CS..Hα-helixtrans-62.9-45.6177.7-71.5167.1000110.8C842 I845 D846 I962 F963 Q968 N969 I970C842-I966 HydrophobicContact CB-CD1 3.6Å; I845-I966 HydrophobicContact CG2-CG2 3.94Å; D846-I966 HydrophobicContact CB-CD1 4.4Å; D846-I966 HydrophobicContact CB-CG1 4.4Å; D846-I966 HydrophobicContact CB-CG2 3.94Å; I962-I966 HydrophobicContact CG2-CD1 3.67Å; I962-I966 WeakPolarHBondContact O-CG1 3.38Å; I962-I966 PolarHBondContact O-N 2.98Å; F963-I966 PolarHBondContact O-N 3.14Å; I966-Q968 PolarHBondContact O-N 2.79Å; I966-N969 PolarHBondContact O-N 3Å; I966-I970 HydrophobicContact CG2-CD1 3.71Å; I966-I970 HydrophobicContact CG2-CG1 4.46Å; I966-I970 WeakPolarHBondContact O-CG1 3.42Å; I966-I970 PolarHBondContact O-N 3.03Å
967L87.6Confident86.2Confident21 Ų2148.3 Ų48.311%0.1126%0.261CS..Hα-helixtrans-63.8-40.2-179-168.164.8000112.1L862 F963 K964 Q971 Y978 L993L862-L967 HydrophobicContact CD2-CD1 4.46Å; F963-L967 HydrophobicContact CE1-CD2 4.27Å; F963-L967 HydrophobicContact CZ-CD2 4.44Å; F963-L967 WeakPolarHBondContact O-CB 3.47Å; F963-L967 PolarHBondContact O-N 3.07Å; K964-L967 PolarHBondContact O-N 3.35Å; L967-Q971 PolarHBondContact O-N 3.33Å; L967-Y978 HydrophobicContact CD1-CD2 4.01Å; L967-Y978 HydrophobicContact CD1-CE2 3.7Å; L967-Y978 HydrophobicContact CG-CE2 3.88Å; L967-L993 HydrophobicContact CD2-CD1 4.17Å; L967-L993 HydrophobicContact CD2-CD2 4.38Å
968Q87.3Confident86.8Confident103 Ų10349.5 Ų49.548%0.48126%0.263SS..Hα-helixtrans-66.8-41.3173.7-71.8179.6-8.200112.4K964 A965 I966 I970 Q971 T972K964-Q968 WeakPolarHBondContact O-CG 3.45Å; K964-Q968 PolarHBondContact O-N 3.15Å; A965-Q968 PolarHBondContact O-N 3Å; I966-Q968 PolarHBondContact O-N 2.79Å; Q968-I970 VanDerWaalsContact C-N 3.35Å; Q968-I970 PolarHBondContact O-N 2.64Å; Q968-Q971 PolarHBondContact O-N 2.95Å; Q968-T972 PolarHBondContact O-N 3.49Å; Q968-T972 PolarHBondContact O-OG1 3.03Å
969N88.4Confident87Confident89 Ų8954.9 Ų54.948%0.47629%0.288SS..Hα-helixtrans-63.4-41.7176.7-74.9-20.7000111.2A965 I966 T972 R973A965-N969 VanDerWaalsContact O-CB 3.32Å; A965-N969 WeakPolarHBondContact O-CB 3.22Å; A965-N969 PolarHBondContact O-N 3.43Å; A965-N969 PolarHBondContact O-ND2 2.86Å; I966-N969 PolarHBondContact O-N 3Å; N969-T972 PolarHBondContact O-N 3.06Å; N969-T972 PolarHBondContact O-OG1 3.29Å; N969-R973 WeakPolarHBondContact O-CB 3.25Å; N969-R973 PolarHBondContact O-N 2.87Å
970I87.3Confident87Confident1 Ų156.7 Ų56.71%0.00530%0.303CS..Hα-helixtrans-68-38.7177.6-71.2169000111.6I845 I966 Q968 T972 R973 D974 W977I845-I970 HydrophobicContact CB-CD1 4.41Å; I845-I970 HydrophobicContact CG2-CD1 3.16Å; I845-I970 WeakPolarHBondContact O-CD1 3.47Å; I966-I970 HydrophobicContact CG2-CD1 3.71Å; I966-I970 HydrophobicContact CG2-CG1 4.46Å; I966-I970 WeakPolarHBondContact O-CG1 3.42Å; I966-I970 PolarHBondContact O-N 3.03Å; Q968-I970 VanDerWaalsContact C-N 3.35Å; Q968-I970 PolarHBondContact O-N 2.64Å; I970-T972 PolarHBondContact O-N 3.42Å; I970-T972 VanDerWaalsContact O-N 3.15Å; I970-R973 PolarHBondContact O-N 3.48Å; I970-D974 CarbonylContact O-C 3.21Å; I970-D974 WeakPolarHBondContact O-CA 3.41Å; I970-D974 PolarHBondContact O-N 3.38Å; I970-W977 HydrophobicContact CG2-CB 4.43Å; I970-W977 HydrophobicContact CG2-CG 4.36Å
971Q86.3Confident86.9Confident102 Ų10256.6 Ų56.648%0.47730%0.303SS..Hα-helixtrans-56.4-32.6175-168.6179.931.700112.2L967 Q968 Y978L967-Q971 PolarHBondContact O-N 3.33Å; Q968-Q971 PolarHBondContact O-N 2.95Å; Q971-Y978 HydrophobicContact CB-CD2 3.92Å; Q971-Y978 HydrophobicContact CB-CE2 4.11Å; Q971-Y978 HydrophobicContact CB-CG 4.18Å; Q971-Y978 HydrophobicContact CG-CD1 4.17Å; Q971-Y978 HydrophobicContact CG-CD2 4.32Å; Q971-Y978 HydrophobicContact CG-CE1 4.17Å; Q971-Y978 HydrophobicContact CG-CE2 4.33Å; Q971-Y978 HydrophobicContact CG-CG 4.24Å
972T85.4Confident86.9Confident115 Ų11555.4 Ų55.471%0.70630%0.299SS*.Hα-helixtrans-90-37.1177.761.50000113.7Q968 N969 I970Q968-T972 PolarHBondContact O-N 3.49Å; Q968-T972 PolarHBondContact O-OG1 3.03Å; N969-T972 PolarHBondContact O-N 3.06Å; N969-T972 PolarHBondContact O-OG1 3.29Å; I970-T972 PolarHBondContact O-N 3.42Å; I970-T972 VanDerWaalsContact O-N 3.15Å
973R88.6Confident86.7Confident117 Ų11760.6 Ų60.644%0.44232%0.323SS..Hα-helixtrans-82.2-42.8-175.5-172.1177.770.5-164.4-8113.1D846 N969 I970D846-R973 PolarHBondContact O-NH2 3.07Å; D846-R973 IonicContact OD1-CZ 2.66Å; D846-R973 IonicContact OD1-NH1 2.79Å; D846-R973 PolarHBondContact OD1-NH1 3.28Å; D846-R973 VanDerWaalsContact OD1-NH1 3.13Å; D846-R973 IonicContact OD1-NH2 3.45Å; D846-R973 PolarHBondContact OD1-NH2 3.46Å; N969-R973 WeakPolarHBondContact O-CB 3.25Å; N969-R973 PolarHBondContact O-N 2.87Å; I970-R973 PolarHBondContact O-N 3.48Å
974D85.6Confident86.3Confident43 Ų4364.1 Ų64.123%0.2335%0.345CS..  trans-142.485.1-178.1-169.9-14.1000111.8R850 I970 A976 W977 Y978R850-D974 IonicContact CZ-OD2 2.89Å; R850-D974 IonicContact NH1-OD2 3.63Å; R850-D974 IonicContact NH2-OD2 3.68Å; R850-D974 PolarHBondContact NH2-OD2 2.94Å; I970-D974 CarbonylContact O-C 3.21Å; I970-D974 WeakPolarHBondContact O-CA 3.41Å; I970-D974 PolarHBondContact O-N 3.38Å; D974-A976 PolarHBondContact O-N 3.49Å; D974-A976 PolarHBondContact OD1-N 3.33Å; D974-W977 HydrophobicContact CB-CB 3.97Å; D974-W977 VanDerWaalsContact CG-CB 3.41Å; D974-W977 PolarHBondContact O-N 2.86Å; D974-W977 PolarHBondContact OD1-N 2.6Å; D974-W977 WeakPolarHBondContact OD2-CB 3.43Å; D974-Y978 PolarHBondContact O-N 3.23Å
975P84.5Confident86.1Confident76 Ų7663.8 Ų63.849%0.49435%0.345SS..Hα-helixtrans-68.1-22.9-178.127-34.5000113.2Q979P975-Q979 WeakPolarHBondContact O-CG 3.4Å; P975-Q979 PolarHBondContact O-N 3.29Å; P975-Q979 VanDerWaalsContact O-N 3.08Å
976A85.5Confident86Confident66 Ų6665.6 Ų65.655%0.54535%0.348SS..Hα-helixtrans-72.9-39.6176.700000110.7D974 Q979 A980D974-A976 PolarHBondContact O-N 3.49Å; D974-A976 PolarHBondContact OD1-N 3.33Å; A976-Q979 PolarHBondContact O-N 3.16Å; A976-A980 PolarHBondContact O-N 3.11Å
977W87.4Confident85.7Confident10 Ų1073.9 Ų73.94%0.03839%0.387CS..Hα-helixtrans-65.4-44.3172.5-176.4-134.7000112.3I845 V854 A858 L861 I970 D974 Q979 A980 L981I845-W977 PolarHBondContact O-NE1 2.88Å; V854-W977 HydrophobicContact CG1-CH2 4.12Å; V854-W977 HydrophobicContact CG1-CZ2 4.19Å; A858-W977 HydrophobicContact CB-CE3 4.39Å; A858-W977 HydrophobicContact CB-CH2 3.44Å; A858-W977 VanDerWaalsContact CB-CH2 3.44Å; A858-W977 HydrophobicContact CB-CZ3 3.33Å; L861-W977 HydrophobicContact CD1-CH2 4.3Å; L861-W977 HydrophobicContact CD1-CZ2 4.14Å; I970-W977 HydrophobicContact CG2-CB 4.43Å; I970-W977 HydrophobicContact CG2-CG 4.36Å; D974-W977 HydrophobicContact CB-CB 3.97Å; D974-W977 VanDerWaalsContact CG-CB 3.41Å; D974-W977 PolarHBondContact O-N 2.86Å; D974-W977 PolarHBondContact OD1-N 2.6Å; D974-W977 WeakPolarHBondContact OD2-CB 3.43Å; W977-Q979 VanDerWaalsContact C-N 3.28Å; W977-Q979 PolarHBondContact O-N 3.07Å; W977-A980 HydrophobicContact CE3-CB 4.1Å; W977-A980 HydrophobicContact CZ3-CB 4.45Å; W977-A980 WeakPolarHBondContact O-CB 3.47Å; W977-A980 PolarHBondContact O-N 3.4Å; W977-A980 VanDerWaalsContact O-N 3.09Å; W977-L981 HydrophobicContact CD2-CD1 4.29Å; W977-L981 HydrophobicContact CD2-CG 4.15Å; W977-L981 HydrophobicContact CG-CD1 4.37Å; W977-L981 HydrophobicContact CH2-CD2 4.07Å; W977-L981 HydrophobicContact CZ2-CD1 4.41Å; W977-L981 HydrophobicContact CZ2-CD2 3.73Å; W977-L981 HydrophobicContact CZ2-CG 4.19Å; W977-L981 WeakPolarHBondContact O-CG 3.13Å; W977-L981 PolarHBondContact O-N 2.75Å
978Y86.3Confident85.4Confident54 Ų5479.3 Ų79.321%0.21241%0.412CS..Hα-helixtrans-56.5-42.1175-175-98.2000112.4L967 Q971 D974 L981 T982L967-Y978 HydrophobicContact CD1-CD2 4.01Å; L967-Y978 HydrophobicContact CD1-CE2 3.7Å; L967-Y978 HydrophobicContact CG-CE2 3.88Å; Q971-Y978 HydrophobicContact CB-CD2 3.92Å; Q971-Y978 HydrophobicContact CB-CE2 4.11Å; Q971-Y978 HydrophobicContact CB-CG 4.18Å; Q971-Y978 HydrophobicContact CG-CD1 4.17Å; Q971-Y978 HydrophobicContact CG-CD2 4.32Å; Q971-Y978 HydrophobicContact CG-CE1 4.17Å; Q971-Y978 HydrophobicContact CG-CE2 4.33Å; Q971-Y978 HydrophobicContact CG-CG 4.24Å; D974-Y978 PolarHBondContact O-N 3.23Å; Y978-L981 PolarHBondContact O-N 3.35Å; Y978-T982 HydrophobicContact CD1-CG2 4.45Å; Y978-T982 HydrophobicContact CE1-CG2 4.04Å; Y978-T982 HydrophobicContact CE2-CG2 4.15Å; Y978-T982 WeakPolarHBondContact O-CB 3.13Å; Y978-T982 WeakPolarHBondContact O-CG2 3.36Å; Y978-T982 PolarHBondContact O-N 3.29Å; Y978-T982 VanDerWaalsContact O-N 3.11Å; Y978-T982 PolarHBondContact O-OG1 3.46Å
979Q85.5Confident85.2Confident127 Ų12776.7 Ų76.759%0.59340%0.399SS*.Hα-helixtrans-64.5-42.4174.8-77.4-178-5.700112.2P975 A976 W977 L981 T982 Q983P975-Q979 WeakPolarHBondContact O-CG 3.4Å; P975-Q979 PolarHBondContact O-N 3.29Å; P975-Q979 VanDerWaalsContact O-N 3.08Å; A976-Q979 PolarHBondContact O-N 3.16Å; W977-Q979 VanDerWaalsContact C-N 3.28Å; W977-Q979 PolarHBondContact O-N 3.07Å; Q979-L981 VanDerWaalsContact C-N 3.28Å; Q979-L981 PolarHBondContact O-N 3.29Å; Q979-T982 PolarHBondContact O-N 3.14Å; Q979-T982 PolarHBondContact O-OG1 3.33Å; Q979-Q983 WeakPolarHBondContact O-CB 3.31Å; Q979-Q983 PolarHBondContact O-N 3.01Å
980A85.4Confident85Confident38 Ų3874.1 Ų74.131%0.31439%0.393SS..Hα-helixtrans-62.5-35.4178.200000112.9A858 A976 W977A858-A980 HydrophobicContact CB-CB 4.46Å; A976-A980 PolarHBondContact O-N 3.11Å; W977-A980 HydrophobicContact CE3-CB 4.1Å; W977-A980 HydrophobicContact CZ3-CB 4.45Å; W977-A980 WeakPolarHBondContact O-CB 3.47Å; W977-A980 PolarHBondContact O-N 3.4Å; W977-A980 VanDerWaalsContact O-N 3.09Å
981L85.1Confident84.9Confident0 Ų080.6 Ų80.60%042%0.422CS..Hα-helixtrans-71.6-37.7176.4-69.1174.2000112.6I845 A858 L861 L862 W977 Y978 Q979I845-L981 HydrophobicContact CG2-CD1 4.12Å; A858-L981 HydrophobicContact CB-CD2 4.49Å; A858-L981 WeakPolarHBondContact O-CD2 3.41Å; L861-L981 HydrophobicContact CB-CD2 4.18Å; L861-L981 HydrophobicContact CD1-CD2 3.99Å; L862-L981 HydrophobicContact CD1-CB 3.77Å; L862-L981 WeakPolarHBondContact CD1-O 3.42Å; L862-L981 HydrophobicContact CG-CB 4.04Å; W977-L981 HydrophobicContact CD2-CD1 4.29Å; W977-L981 HydrophobicContact CD2-CG 4.15Å; W977-L981 HydrophobicContact CG-CD1 4.37Å; W977-L981 HydrophobicContact CH2-CD2 4.07Å; W977-L981 HydrophobicContact CZ2-CD1 4.41Å; W977-L981 HydrophobicContact CZ2-CD2 3.73Å; W977-L981 HydrophobicContact CZ2-CG 4.19Å; W977-L981 WeakPolarHBondContact O-CG 3.13Å; W977-L981 PolarHBondContact O-N 2.75Å; Y978-L981 PolarHBondContact O-N 3.35Å; Q979-L981 VanDerWaalsContact C-N 3.28Å; Q979-L981 PolarHBondContact O-N 3.29Å
982T85.6Confident84.8Confident36 Ų3678.4 Ų78.422%0.22141%0.411CS..Hα-helixtrans-95.8-17.8-170.752.30000114.6L862 Y978 Q979 T984 L985L862-T982 HydrophobicContact CD1-CG2 3.79Å; Y978-T982 HydrophobicContact CD1-CG2 4.45Å; Y978-T982 HydrophobicContact CE1-CG2 4.04Å; Y978-T982 HydrophobicContact CE2-CG2 4.15Å; Y978-T982 WeakPolarHBondContact O-CB 3.13Å; Y978-T982 WeakPolarHBondContact O-CG2 3.36Å; Y978-T982 PolarHBondContact O-N 3.29Å; Y978-T982 VanDerWaalsContact O-N 3.11Å; Y978-T982 PolarHBondContact O-OG1 3.46Å; Q979-T982 PolarHBondContact O-N 3.14Å; Q979-T982 PolarHBondContact O-OG1 3.33Å; T982-T984 VanDerWaalsContact C-N 3.26Å; T982-T984 PolarHBondContact O-N 3.31Å; T982-L985 HydrophobicContact CG2-CD1 4.33Å; T982-L985 PolarHBondContact O-N 2.88Å
983Q83.9Confident84.9Confident165 Ų16574.1 Ų74.177%0.77138%0.384SS*.THydrogen-bonded Turntrans-67-24.5-173.7-179.7174.510.800114Q979Q979-Q983 WeakPolarHBondContact O-CB 3.31Å; Q979-Q983 PolarHBondContact O-N 3.01Å
984T81.1Confident84.7Confident82 Ų8274.9 Ų74.950%0.50339%0.392SS..THydrogen-bonded Turntrans-93.6-3.7-177.147.70000113.9G859 T982G859-T984 WeakPolarHBondContact CA-OG1 3.41Å; G859-T984 PolarHBondContact O-OG1 3.44Å; T982-T984 VanDerWaalsContact C-N 3.26Å; T982-T984 PolarHBondContact O-N 3.31Å
985L84.3Confident84.6Confident32 Ų3276.4 Ų76.417%0.16840%0.401CS..  trans-73.9135.6179.8-62.6172.5000110.9L862 P863 I866 T982 Q989 L993L862-L985 HydrophobicContact CB-CD1 4.46Å; L862-L985 HydrophobicContact CB-CD2 3.96Å; L862-L985 HydrophobicContact CD1-CD1 3.94Å; P863-L985 HydrophobicContact CG-CD2 3.98Å; I866-L985 HydrophobicContact CD1-CD2 3.95Å; T982-L985 HydrophobicContact CG2-CD1 4.33Å; T982-L985 PolarHBondContact O-N 2.88Å; L985-Q989 HydrophobicContact CB-CB 4.4Å; L985-Q989 HydrophobicContact CD2-CB 4.03Å; L985-L993 HydrophobicContact CD1-CD2 3.95Å
986D85.4Confident84.7Confident81 Ų8173.3 Ų73.343%0.43338%0.379SS..  trans-78.8174.8169.463.639.1000112E988 Q989 G990D986-E988 PolarHBondContact O-N 3.47Å; D986-E988 PolarHBondContact OD1-N 2.98Å; D986-Q989 VanDerWaalsContact OD1-CB 3.26Å; D986-Q989 WeakPolarHBondContact OD1-CB 3.48Å; D986-Q989 VanDerWaalsContact OD1-CG 3.23Å; D986-Q989 WeakPolarHBondContact OD1-CG 3.27Å; D986-Q989 PolarHBondContact OD1-N 3.39Å; D986-G990 PolarHBondContact O-N 2.92Å
987E82.3Confident84.6Confident193 Ų19371 Ų7190%0.90236%0.363SS*.Hα-helixtrans-64.1-27.6-178.7-71.3-172.6168.900112.9K991E987-K991 PolarHBondContact O-N 3.43Å
988E82.6Confident84.4Confident136 Ų13673.1 Ų73.164%0.63638%0.377SS*.Hα-helixtrans-79.9-49.5-178.2-174.5167.1-163.500110.9D986 G990 K991 H992D986-E988 PolarHBondContact O-N 3.47Å; D986-E988 PolarHBondContact OD1-N 2.98Å; E988-G990 VanDerWaalsContact C-N 3.27Å; E988-G990 PolarHBondContact O-N 2.89Å; E988-K991 WeakPolarHBondContact O-CA 3.44Å; E988-K991 WeakPolarHBondContact O-CB 3.47Å; E988-K991 PolarHBondContact O-N 3.01Å; E988-H992 PolarHBondContact O-CD2 2.95Å; E988-H992 PolarHBondContact O-N 3.11Å
989Q83.7Confident84.3Confident48 Ų4872.8 Ų72.822%0.22438%0.378CS..Hα-helixtrans-58.1-39171.3-69.3175.9-15.700111.7I866 L985 D986 K991 H992 L993I866-Q989 HydrophobicContact CD1-CB 3.95Å; I866-Q989 WeakPolarHBondContact CD1-O 3.37Å; L985-Q989 HydrophobicContact CB-CB 4.4Å; L985-Q989 HydrophobicContact CD2-CB 4.03Å; D986-Q989 VanDerWaalsContact OD1-CB 3.26Å; D986-Q989 WeakPolarHBondContact OD1-CB 3.48Å; D986-Q989 VanDerWaalsContact OD1-CG 3.23Å; D986-Q989 WeakPolarHBondContact OD1-CG 3.27Å; D986-Q989 PolarHBondContact OD1-N 3.39Å; Q989-K991 VanDerWaalsContact C-N 3.27Å; Q989-K991 PolarHBondContact O-N 3.32Å; Q989-H992 PolarHBondContact O-N 3.15Å; Q989-L993 WeakPolarHBondContact O-CB 3.36Å; Q989-L993 PolarHBondContact O-N 2.96Å
990G83.3Confident84.2Confident34 Ų3466.8 Ų66.835%0.35135%0.35SS..Hα-helixtrans-60.9-34.9173.500000113.2D986 E988 H994D986-G990 PolarHBondContact O-N 2.92Å; E988-G990 VanDerWaalsContact C-N 3.27Å; E988-G990 PolarHBondContact O-N 2.89Å; G990-H994 PolarHBondContact O-N 3.26Å
991K84.9Confident84.1Confident138 Ų13869 Ų6960%0.636%0.357SS*.Hα-helixtrans-72.8-46.3174.4-171.6-173.3172.9-163.70111.4E987 E988 Q989 L993 H994 D995E987-K991 PolarHBondContact O-N 3.43Å; E988-K991 WeakPolarHBondContact O-CA 3.44Å; E988-K991 WeakPolarHBondContact O-CB 3.47Å; E988-K991 PolarHBondContact O-N 3.01Å; Q989-K991 VanDerWaalsContact C-N 3.27Å; Q989-K991 PolarHBondContact O-N 3.32Å; K991-L993 VanDerWaalsContact C-N 3.27Å; K991-L993 PolarHBondContact O-N 3.49Å; K991-H994 WeakPolarHBondContact O-CB 3.41Å; K991-H994 PolarHBondContact O-N 2.9Å; K991-D995 PolarHBondContact O-N 3.42Å
992H85.2Confident83.9Confident55 Ų5574.5 Ų74.526%0.25538%0.383SS..Hα-helixtrans-56.2-41.6174.9-75.4-72.9000112.1I866 N870 E988 Q989 H994 D995 I996I866-H992 HydrophobicContact CG2-CB 3.64Å; N870-H992 PolarHBondContact OD1-ND1 2.85Å; E988-H992 PolarHBondContact O-CD2 2.95Å; E988-H992 PolarHBondContact O-N 3.11Å; Q989-H992 PolarHBondContact O-N 3.15Å; H992-H994 VanDerWaalsContact C-N 3.29Å; H992-H994 PolarHBondContact O-N 3.26Å; H992-D995 PolarHBondContact O-N 3.29Å; H992-I996 VanDerWaalsContact O-CG1 3.26Å; H992-I996 WeakPolarHBondContact O-CG1 3.4Å; H992-I996 PolarHBondContact O-N 2.8Å
993L86Confident83.6Confident26 Ų2675.7 Ų75.714%0.13638%0.383CS..Hα-helixtrans-61.1-36.7175.9-172.265.7000112.8L862 I866 F963 L967 L985 Q989 K991 G997L862-L993 HydrophobicContact CD1-CD2 4.49Å; I866-L993 HydrophobicContact CD1-CB 4.25Å; F963-L993 HydrophobicContact CE1-CD1 3.67Å; F963-L993 HydrophobicContact CZ-CD1 3.86Å; L967-L993 HydrophobicContact CD2-CD1 4.17Å; L967-L993 HydrophobicContact CD2-CD2 4.38Å; L985-L993 HydrophobicContact CD1-CD2 3.95Å; Q989-L993 WeakPolarHBondContact O-CB 3.36Å; Q989-L993 PolarHBondContact O-N 2.96Å; K991-L993 VanDerWaalsContact C-N 3.27Å; K991-L993 PolarHBondContact O-N 3.49Å; L993-G997 PolarHBondContact O-N 2.91Å
994H84.2Confident83.4Confident133 Ų13374 Ų7462%0.61637%0.37SS*.Hα-helixtrans-70.2-39.8174.7-172.763.3000112.1G990 K991 H992 G997 T998G990-H994 PolarHBondContact O-N 3.26Å; K991-H994 WeakPolarHBondContact O-CB 3.41Å; K991-H994 PolarHBondContact O-N 2.9Å; H992-H994 VanDerWaalsContact C-N 3.29Å; H992-H994 PolarHBondContact O-N 3.26Å; H994-G997 PolarHBondContact O-N 3.26Å; H994-T998 PolarHBondContact O-N 2.94Å; H994-T998 PolarHBondContact O-OG1 3.47Å
995D85.1Confident83.2Confident75 Ų7572.5 Ų72.540%0.40137%0.365SS..Hα-helixtrans-64.4-42.7177.6-67.8-16.7000111K991 H992 G997 T998 L999K991-D995 PolarHBondContact O-N 3.42Å; H992-D995 PolarHBondContact O-N 3.29Å; D995-G997 VanDerWaalsContact C-N 3.33Å; D995-G997 PolarHBondContact O-N 3.09Å; D995-T998 WeakPolarHBondContact O-CB 3.45Å; D995-T998 PolarHBondContact O-N 3.26Å; D995-T998 VanDerWaalsContact O-N 3.12Å; D995-L999 WeakPolarHBondContact O-CB 3.38Å; D995-L999 PolarHBondContact O-N 3.32Å
996I86.9Confident82.8Confident10 Ų1073.4 Ų73.45%0.05138%0.378CS..Hα-helixtrans-56.6-46.5172.3-68.3162.6000110.6I866 F869 Y960 F963 H992 T998 L999 A1000I866-I996 HydrophobicContact CG1-CD1 4.16Å; F869-I996 HydrophobicContact CB-CD1 3.55Å; F869-I996 HydrophobicContact CB-CG1 3.89Å; F869-I996 HydrophobicContact CD1-CG2 4.36Å; F869-I996 HydrophobicContact CD2-CD1 3.75Å; F869-I996 HydrophobicContact CD2-CG1 4.41Å; F869-I996 HydrophobicContact CD2-CG2 4.04Å; F869-I996 HydrophobicContact CE1-CG2 4.43Å; F869-I996 HydrophobicContact CE2-CG2 4.17Å; F869-I996 HydrophobicContact CG-CD1 3.88Å; F869-I996 HydrophobicContact CG-CG1 4.19Å; F869-I996 HydrophobicContact CG-CG2 4.15Å; F869-I996 HydrophobicContact CZ-CG2 4.34Å; Y960-I996 HydrophobicContact CD1-CG2 3.78Å; Y960-I996 HydrophobicContact CE1-CG2 4.12Å; F963-I996 HydrophobicContact CD1-CG2 4.17Å; F963-I996 HydrophobicContact CE1-CG2 4.36Å; H992-I996 VanDerWaalsContact O-CG1 3.26Å; H992-I996 WeakPolarHBondContact O-CG1 3.4Å; H992-I996 PolarHBondContact O-N 2.8Å; I996-T998 VanDerWaalsContact C-N 3.27Å; I996-T998 PolarHBondContact O-N 2.91Å; I996-L999 PolarHBondContact O-N 3.45Å; I996-A1000 WeakPolarHBondContact O-CB 3.28Å; I996-A1000 PolarHBondContact O-N 3.03Å
997G82.6Confident82.1Confident19 Ų1973.8 Ų73.820%0.19638%0.377CS..Hα-helixtrans-64.9-29.5178.300000114K964 L993 H994 D995K964-G997 PolarHBondContact NZ-O 3.13Å; L993-G997 PolarHBondContact O-N 2.91Å; H994-G997 PolarHBondContact O-N 3.26Å; D995-G997 VanDerWaalsContact C-N 3.33Å; D995-G997 PolarHBondContact O-N 3.09Å
998T84Confident81.6Confident54 Ų5469.1 Ų69.133%0.33136%0.355SS..Hα-helixtrans-76.8-42.9175.5-56.10000111H994 D995 I996 A1000 D1001 Q1002H994-T998 PolarHBondContact O-N 2.94Å; H994-T998 PolarHBondContact O-OG1 3.47Å; D995-T998 WeakPolarHBondContact O-CB 3.45Å; D995-T998 PolarHBondContact O-N 3.26Å; D995-T998 VanDerWaalsContact O-N 3.12Å; I996-T998 VanDerWaalsContact C-N 3.27Å; I996-T998 PolarHBondContact O-N 2.91Å; T998-A1000 VanDerWaalsContact C-N 3.29Å; T998-A1000 PolarHBondContact O-N 2.89Å; T998-D1001 PolarHBondContact O-N 3.25Å; T998-D1001 VanDerWaalsContact O-N 3.12Å; T998-Q1002 WeakPolarHBondContact O-CG 3.48Å; T998-Q1002 PolarHBondContact O-N 2.83Å; T998-Q1002 VanDerWaalsContact O-N 3.1Å
999L83.1Confident81.1Confident46 Ų4665.5 Ų65.524%0.24135%0.345CS..Hα-helixtrans-61.8-38.8175.5-171.961.3000111.2Y960 D995 I996 D1001 Q1002 R1003Y960-L999 HydrophobicContact CD1-CB 4.45Å; Y960-L999 HydrophobicContact CD1-CD2 4.21Å; Y960-L999 HydrophobicContact CD1-CG 4.45Å; Y960-L999 HydrophobicContact CE1-CD2 3.62Å; Y960-L999 HydrophobicContact CE1-CG 4.34Å; D995-L999 WeakPolarHBondContact O-CB 3.38Å; D995-L999 PolarHBondContact O-N 3.32Å; I996-L999 PolarHBondContact O-N 3.45Å; L999-D1001 VanDerWaalsContact C-N 3.3Å; L999-D1001 PolarHBondContact O-N 3.31Å; L999-Q1002 WeakPolarHBondContact O-CB 3.47Å; L999-Q1002 PolarHBondContact O-N 3.3Å; L999-Q1002 VanDerWaalsContact O-N 3.13Å; L999-R1003 WeakPolarHBondContact O-CG 3.35Å; L999-R1003 PolarHBondContact O-N 3.26Å
1000A83.8Confident80.3Confident1 Ų170.3 Ų70.31%0.00837%0.365CS..Hα-helixtrans-56.7-39.9172.600000113K964 I996 T998 R1004K964-A1000 HydrophobicContact CB-CB 4.37Å; K964-A1000 HydrophobicContact CD-CB 3.94Å; I996-A1000 WeakPolarHBondContact O-CB 3.28Å; I996-A1000 PolarHBondContact O-N 3.03Å; T998-A1000 VanDerWaalsContact C-N 3.29Å; T998-A1000 PolarHBondContact O-N 2.89Å; A1000-R1004 WeakPolarHBondContact O-CB 3.32Å; A1000-R1004 PolarHBondContact O-N 3.08Å; A1000-R1004 VanDerWaalsContact O-N 3.1Å
1001D83.2Confident79.5Confident85 Ų8572.5 Ų72.546%0.45537%0.367SS..Hα-helixtrans-70.3-37.3176.5-75-26.9000112K964 T998 L999 A1005K964-D1001 IonicContact NZ-OD1 2.64Å; K964-D1001 PolarHBondContact NZ-OD1 2.86Å; K964-D1001 IonicContact NZ-OD2 2.84Å; K964-D1001 PolarHBondContact NZ-OD2 3.4Å; T998-D1001 PolarHBondContact O-N 3.25Å; T998-D1001 VanDerWaalsContact O-N 3.12Å; L999-D1001 VanDerWaalsContact C-N 3.3Å; L999-D1001 PolarHBondContact O-N 3.31Å; D1001-A1005 WeakPolarHBondContact O-CB 3.32Å; D1001-A1005 PolarHBondContact O-N 3.19Å
1002Q81.8Confident78.6Confident116 Ų11668.8 Ų68.854%0.54235%0.353SS..Hα-helixtrans-65.6-47.3176.8-68.8175-5.700111.3T998 L999 R1004 A1005 A1006T998-Q1002 WeakPolarHBondContact O-CG 3.48Å; T998-Q1002 PolarHBondContact O-N 2.83Å; T998-Q1002 VanDerWaalsContact O-N 3.1Å; L999-Q1002 WeakPolarHBondContact O-CB 3.47Å; L999-Q1002 PolarHBondContact O-N 3.3Å; L999-Q1002 VanDerWaalsContact O-N 3.13Å; Q1002-R1004 VanDerWaalsContact C-N 3.34Å; Q1002-R1004 PolarHBondContact O-N 3.2Å; Q1002-A1005 PolarHBondContact O-N 3.19Å; Q1002-A1006 WeakPolarHBondContact O-CB 3.38Å; Q1002-A1006 PolarHBondContact O-N 3.18Å
1003R79.3Confident77.6Confident60 Ų6073.2 Ų73.223%0.22637%0.374CS..Hα-helixtrans-61.2-41.8177-68.6-173101.1169.33.3111.5Y876 E959 L999 A1005 A1006 H1007Y876-R1003 VanDerWaalsContact CE2-NH1 3.3Å; E959-R1003 IonicContact OE1-NH1 3.34Å; E959-R1003 PolarHBondContact OE1-NH1 3.03Å; L999-R1003 WeakPolarHBondContact O-CG 3.35Å; L999-R1003 PolarHBondContact O-N 3.26Å; R1003-A1005 PolarHBondContact O-N 2.84Å; R1003-A1006 PolarHBondContact O-N 2.99Å; R1003-H1007 WeakPolarHBondContact O-CB 3.37Å; R1003-H1007 PolarHBondContact O-N 3.47Å
1004R79.3Confident76.4Confident131 Ų13179.4 Ų79.449%0.49440%0.4SS..Hα-helixtrans-59.4-47.9173.6-176.5179.5170.2165.95112.6Q961 A1000 Q1002 A1006 H1007 E1008Q961-R1004 HydrophobicContact CG-CB 4.38Å; A1000-R1004 WeakPolarHBondContact O-CB 3.32Å; A1000-R1004 PolarHBondContact O-N 3.08Å; A1000-R1004 VanDerWaalsContact O-N 3.1Å; Q1002-R1004 VanDerWaalsContact C-N 3.34Å; Q1002-R1004 PolarHBondContact O-N 3.2Å; R1004-A1006 VanDerWaalsContact C-N 3.31Å; R1004-A1006 PolarHBondContact O-N 3.33Å; R1004-H1007 PolarHBondContact O-N 2.94Å; R1004-E1008 IonicContact CZ-OE1 3.59Å; R1004-E1008 IonicContact NE-OE1 2.71Å; R1004-E1008 PolarHBondContact NE-OE1 3.26Å; R1004-E1008 IonicContact NH2-OE1 3.88Å; R1004-E1008 PolarHBondContact NH2-OE1 3.35Å; R1004-E1008 WeakPolarHBondContact O-CB 3.28Å; R1004-E1008 WeakPolarHBondContact O-CG 3.48Å; R1004-E1008 PolarHBondContact O-N 3.02Å
1005A77.4Confident75.2Confident49 Ų4980.2 Ų80.241%0.40540%0.403SS..Hα-helixtrans-64.7-36178.800000112.3D1001 Q1002 R1003 S1009D1001-A1005 WeakPolarHBondContact O-CB 3.32Å; D1001-A1005 PolarHBondContact O-N 3.19Å; Q1002-A1005 PolarHBondContact O-N 3.19Å; R1003-A1005 PolarHBondContact O-N 2.84Å; A1005-S1009 WeakPolarHBondContact O-CB 3.43Å; A1005-S1009 PolarHBondContact O-N 3.22Å; A1005-S1009 PolarHBondContact O-OG 3.48Å
1006A74.6Confident73.6Confident52 Ų5280 Ų8043%0.4342%0.418SS..Hα-helixtrans-66.6-46.217500000111.8Q1002 R1003 R1004 S1009 K1010Q1002-A1006 WeakPolarHBondContact O-CB 3.38Å; Q1002-A1006 PolarHBondContact O-N 3.18Å; R1003-A1006 PolarHBondContact O-N 2.99Å; R1004-A1006 VanDerWaalsContact C-N 3.31Å; R1004-A1006 PolarHBondContact O-N 3.33Å; A1006-S1009 WeakPolarHBondContact O-CB 3.38Å; A1006-S1009 PolarHBondContact O-N 3.25Å; A1006-S1009 VanDerWaalsContact O-N 3.17Å; A1006-K1010 PolarHBondContact O-N 2.96Å
1007H70.4Confident72Confident89 Ų8981.1 Ų81.141%0.41243%0.433SS..Hα-helixtrans-63.2-45175.9-178.4-87.6000112.1R1003 R1004 S1009 K1010 M1011R1003-H1007 WeakPolarHBondContact O-CB 3.37Å; R1003-H1007 PolarHBondContact O-N 3.47Å; R1004-H1007 PolarHBondContact O-N 2.94Å; H1007-S1009 PolarHBondContact O-N 3.35Å; H1007-K1010 PolarHBondContact O-N 2.86Å; H1007-M1011 WeakPolarHBondContact O-CB 3.48Å; H1007-M1011 WeakPolarHBondContact O-CG 3.19Å; H1007-M1011 PolarHBondContact O-N 3.02Å
1008E72.9Confident70.6Confident94 Ų9488 Ų8844%0.43945%0.454SS..Hα-helixtrans-59-36.7173.6-73.6177.1-171.400111.4R1004 I1012R1004-E1008 IonicContact CZ-OE1 3.59Å; R1004-E1008 IonicContact NE-OE1 2.71Å; R1004-E1008 PolarHBondContact NE-OE1 3.26Å; R1004-E1008 IonicContact NH2-OE1 3.88Å; R1004-E1008 PolarHBondContact NH2-OE1 3.35Å; R1004-E1008 WeakPolarHBondContact O-CB 3.28Å; R1004-E1008 WeakPolarHBondContact O-CG 3.48Å; R1004-E1008 PolarHBondContact O-N 3.02Å; E1008-I1012 WeakPolarHBondContact O-CD1 3.45Å; E1008-I1012 WeakPolarHBondContact O-CG1 3.3Å; E1008-I1012 PolarHBondContact O-N 3.36Å
1009S71.9Confident68.6Low61 Ų6195 Ų9543%0.42748%0.48SS..Hα-helixtrans-69.3-46.6175.6-59.80000112.9A1005 A1006 H1007 M1011 I1012 E1013A1005-S1009 WeakPolarHBondContact O-CB 3.43Å; A1005-S1009 PolarHBondContact O-N 3.22Å; A1005-S1009 PolarHBondContact O-OG 3.48Å; A1006-S1009 WeakPolarHBondContact O-CB 3.38Å; A1006-S1009 PolarHBondContact O-N 3.25Å; A1006-S1009 VanDerWaalsContact O-N 3.17Å; H1007-S1009 PolarHBondContact O-N 3.35Å; S1009-M1011 VanDerWaalsContact C-N 3.29Å; S1009-M1011 PolarHBondContact O-N 3.44Å; S1009-I1012 PolarHBondContact O-N 2.89Å; S1009-I1012 VanDerWaalsContact O-N 3.15Å; S1009-E1013 PolarHBondContact O-N 3.27Å
1010K67.5Low66.8Low148 Ų148101 Ų10164%0.64350%0.504SS*.Hα-helixtrans-59.1-39.3174.3-78.3-170.8175.9-172.90111.5A1006 H1007 E1013 K1014A1006-K1010 PolarHBondContact O-N 2.96Å; H1007-K1010 PolarHBondContact O-N 2.86Å; K1010-E1013 WeakPolarHBondContact O-CB 3.38Å; K1010-E1013 PolarHBondContact O-N 3.15Å; K1010-K1014 PolarHBondContact O-N 3.4Å
1011M65.4Low64.6Low80 Ų80107.5 Ų107.539%0.39454%0.544SS..Hα-helixtrans-67.1-39.7175.4-72.9-62.5-8200112.2H1007 S1009 E1013 K1014 H1015H1007-M1011 WeakPolarHBondContact O-CB 3.48Å; H1007-M1011 WeakPolarHBondContact O-CG 3.19Å; H1007-M1011 PolarHBondContact O-N 3.02Å; S1009-M1011 VanDerWaalsContact C-N 3.29Å; S1009-M1011 PolarHBondContact O-N 3.44Å; M1011-E1013 VanDerWaalsContact C-N 3.26Å; M1011-E1013 PolarHBondContact O-N 2.98Å; M1011-K1014 PolarHBondContact O-N 3.45Å; M1011-H1015 WeakPolarHBondContact O-CB 3.37Å; M1011-H1015 PolarHBondContact O-N 3.02Å; M1011-H1015 PolarHBondContact O-ND1 2.95Å
1012I66.6Low62.4Low61 Ų61109.1 Ų109.131%0.31356%0.557SS.*Hα-helixtrans-63.2-36.1174.1-70.1162.3000110.8E1008 S1009 H1015 G1016 G1017 Y1018E1008-I1012 WeakPolarHBondContact O-CD1 3.45Å; E1008-I1012 WeakPolarHBondContact O-CG1 3.3Å; E1008-I1012 PolarHBondContact O-N 3.36Å; S1009-I1012 PolarHBondContact O-N 2.89Å; S1009-I1012 VanDerWaalsContact O-N 3.15Å; I1012-H1015 PolarHBondContact O-N 3.39Å; I1012-G1016 PolarHBondContact O-N 3Å; I1012-G1017 WeakPolarHBondContact O-CA 3.29Å; I1012-G1017 PolarHBondContact O-N 3.14Å; I1012-Y1018 HydrophobicContact CG2-CD2 4.1Å; I1012-Y1018 HydrophobicContact CG2-CE2 4.12Å; I1012-Y1018 HydrophobicContact CG2-CG 4.49Å
1013E62.9Low60.4Low147 Ų147109.2 Ų109.269%0.68757%0.567SS**Hα-helixtrans-68.4-48.9175.9-164.9163.8-153.500112.3S1009 K1010 M1011 H1015 G1016S1009-E1013 PolarHBondContact O-N 3.27Å; K1010-E1013 WeakPolarHBondContact O-CB 3.38Å; K1010-E1013 PolarHBondContact O-N 3.15Å; M1011-E1013 VanDerWaalsContact C-N 3.26Å; M1011-E1013 PolarHBondContact O-N 2.98Å; E1013-H1015 PolarHBondContact O-N 2.82Å; E1013-H1015 VanDerWaalsContact O-N 3.14Å; E1013-G1016 PolarHBondContact O-N 3.02Å
1014K62Low58.6Low156 Ų156115.1 Ų115.168%0.67860%0.597SS**Hα-helixtrans-56.4-28.1171.7-80-171.9175.5-177.70112.4D954 K1010 M1011D954-K1014 IonicContact OD1-NZ 2.71Å; D954-K1014 PolarHBondContact OD1-NZ 3.34Å; K1010-K1014 PolarHBondContact O-N 3.4Å; M1011-K1014 PolarHBondContact O-N 3.45Å
1015H57.9Low56.9Low151 Ų151114.8 Ų114.870%0.69961%0.61SS**THydrogen-bonded Turntrans-90.310.8176.5-7179.5000114.8M1011 I1012 E1013M1011-H1015 WeakPolarHBondContact O-CB 3.37Å; M1011-H1015 PolarHBondContact O-N 3.02Å; M1011-H1015 PolarHBondContact O-ND1 2.95Å; I1012-H1015 PolarHBondContact O-N 3.39Å; E1013-H1015 PolarHBondContact O-N 2.82Å; E1013-H1015 VanDerWaalsContact O-N 3.14Å
1016G51.8Low54.9Low69 Ų69118.7 Ų118.771%0.71163%0.628SS**THydrogen-bonded Turntrans96.620.6173.600000115.8I1012 E1013I1012-G1016 PolarHBondContact O-N 3Å; E1013-G1016 PolarHBondContact O-N 3.02Å
1017G53.3Low53.2Low34 Ų34120.8 Ų120.835%0.35164%0.637SS.*  trans75.2172.6171.200000115.6I1012 K1019I1012-G1017 WeakPolarHBondContact O-CA 3.29Å; I1012-G1017 PolarHBondContact O-N 3.14Å; G1017-K1019 PolarHBondContact O-N 3.03Å; G1017-K1019 VanDerWaalsContact O-N 3.1Å
1018Y53.7Low51.8Low165 Ų165123.1 Ų123.165%0.64766%0.658SS**  trans-60.6114.7174.1-79-87.3000110.1I1012 F1020I1012-Y1018 HydrophobicContact CG2-CD2 4.1Å; I1012-Y1018 HydrophobicContact CG2-CE2 4.12Å; I1012-Y1018 HydrophobicContact CG2-CG 4.49Å; Y1018-F1020 HydrophobicContact CG-CE2 4.46Å; Y1018-F1020 PolarHBondContact O-N 3.45Å
1019K42.8Very low50.2Low201 Ų201125.9 Ų125.987%0.87468%0.676SS**  trans-66.483.6165.6-76.5-176.2-179.9173.50109.6G1017 T1021G1017-K1019 PolarHBondContact O-N 3.03Å; G1017-K1019 VanDerWaalsContact O-N 3.1Å; K1019-T1021 PolarHBondContact O-N 2.89Å; K1019-T1021 VanDerWaalsContact O-N 3.15Å
1020F43.9Very low48.4Very low171 Ų171131.7 Ų131.775%0.7569%0.694SS**  trans-65112.8161.8-77.3-82.6000107.7Y1018 V1022Y1018-F1020 HydrophobicContact CG-CE2 4.46Å; Y1018-F1020 PolarHBondContact O-N 3.45Å; F1020-V1022 VanDerWaalsContact C-N 3.3Å; F1020-V1022 PolarHBondContact O-N 3.17Å
1021T37.8Very low47Very low137 Ų137131.6 Ų131.684%0.8470%0.7SS**  trans-67.295.5165.928.90000107.5K1019 P1023K1019-T1021 PolarHBondContact O-N 2.89Å; K1019-T1021 VanDerWaalsContact O-N 3.15Å; T1021-P1023 VanDerWaalsContact O-CD 3.32Å; T1021-P1023 WeakPolarHBondContact O-CD 3.37Å
1022V36.9Very low45.8Very low120 Ų120137.1 Ų137.173%0.72772%0.722SS**  trans-62.1120.1170.4-178.70000107.9F1020 E1024F1020-V1022 VanDerWaalsContact C-N 3.3Å; F1020-V1022 PolarHBondContact O-N 3.17Å; V1022-E1024 PolarHBondContact O-N 3.1Å
1023P41Very low44.3Very low118 Ų118136.9 Ų136.977%0.76674%0.735SS**  trans-67.1129.9165.7-11.327.2000108.6T1021T1021-P1023 VanDerWaalsContact O-CD 3.32Å; T1021-P1023 WeakPolarHBondContact O-CD 3.37Å
1024E40.8Very low42.7Very low183 Ų183133.5 Ų133.586%0.85574%0.74SS**SBendtrans-24140.6174.2-81177.4140.200118.1V1022V1022-E1024 PolarHBondContact O-N 3.1Å
1025V43.9Very low41.5Very low124 Ų124134 Ų13475%0.75275%0.75SS**  trans8892.1157.4-157.90000117.7
1026V35.7Very low40.9Very low131 Ų131131.4 Ų131.479%0.79475%0.754SS**  trans-87.7120.3151.9-177.10000108.3
1027P38.4Very low40.2Very low96 Ų96134.2 Ų134.262%0.62376%0.76SS**  trans-75.3135.3177.4-1025.8000111.7N1029P1027-N1029 VanDerWaalsContact C-N 3.29Å; P1027-N1029 PolarHBondContact O-N 3.02Å; P1027-N1029 VanDerWaalsContact O-N 3.16Å
1028T39.8Very low39.4Very low138 Ų138136 Ų13685%0.84778%0.778SS**SBendtrans-79.318.8-172.938.80000116.3
1029N39.6Very low38.5Very low152 Ų152136.9 Ų136.981%0.81379%0.791SS**  trans-143.9105.2177.8-85.9-30.9000112.3P1027P1027-N1029 VanDerWaalsContact C-N 3.29Å; P1027-N1029 PolarHBondContact O-N 3.02Å; P1027-N1029 VanDerWaalsContact O-N 3.16Å
1030F35.9Very low38Very low184 Ų184138.4 Ų138.481%0.80781%0.808SS**  trans-101.9113.6163.7-111.6-94.4000108.9F1032F1030-F1032 HydrophobicContact CB-CE2 4.47Å; F1030-F1032 HydrophobicContact CD1-CE2 4.3Å
1031N36.7Very low37.7Very low145 Ų145136.8 Ų136.878%0.77581%0.811SS**  trans-100.5110.5-179.7-174.49.7000110.2G1033N1031-G1033 VanDerWaalsContact C-N 3.34Å; N1031-G1033 PolarHBondContact O-N 3.42Å
1032F39.8Very low37.7Very low196 Ų196136.7 Ų136.786%0.8681%0.81SS**  trans-90.152.2178.4-82.5-87.1000112.6F1030F1030-F1032 HydrophobicContact CB-CE2 4.47Å; F1030-F1032 HydrophobicContact CD1-CE2 4.3Å
1033G35.3Very low37.8Very low57 Ų57137.7 Ų137.759%0.58881%0.814SS**  trans-148.891.7-176.900000113.4N1031N1031-G1033 VanDerWaalsContact C-N 3.34Å; N1031-G1033 PolarHBondContact O-N 3.42Å
1034G29.4Very low37.6Very low75 Ų75138.8 Ų138.877%0.77382%0.817SS**  trans-138.494.6170.700000111.2
1035N36.8Very low37.4Very low168 Ų168136.1 Ų136.190%0.89882%0.815SS**  trans-108.5115.2153.4-94.2-10.3000108
1036A44.7Very low37Very low95 Ų95136.9 Ų136.979%0.78582%0.819SS**  trans-53.3148.1164.200000109.5
1037P38.9Very low37.1Very low128 Ų128137.3 Ų137.383%0.83182%0.821SS**  -163.4161.387.138-16.1000117.8
1038G36Very low36.9Very low72 Ų72140.5 Ų140.574%0.74284%0.836SS**  trans113.6119.7142.900000118
1039M34Very low36.7Very low183 Ų183140.7 Ų140.790%0.90184%0.835SS**  trans-49.1139.5141.7-90.4-179.9166.900109.6
1040N33.4Very low36.4Very low233 Ų233139.6 Ų139.6100%1.24684%0.837SS**  trans83.30166.5-60.7-17.1000117.9

Retrieved 1,040 of 1,040 residues in 3312.9 ms (Link to these results)

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