A0A096LYG4_POEFO Loading...

WW and C2 domain containing 1

AlphaFold DB , UniProt , Accession A0A096LYG4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,092 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
1R32.7Very low53.7Low293 Ų29382.4 Ų82.4100%1.10639%0.39SS*.  099.30-76-170.2-179.8-115.3-3.9106.5
2Q36.5Very low54.1Low144 Ų14481.4 Ų81.467%0.67339%0.388SS*.  trans-59145.5-179.5-63.393.4-65.600110.9E15Q2-E15 WeakPolarHBondContact CG-OE1 3.42Å; Q2-E15 PolarHBondContact NE2-OE1 2.64Å; Q2-E15 VanDerWaalsContact NE2-OE1 3.09Å
3T55.2Low54.6Low132 Ų13279.2 Ų79.281%0.8140%0.4SS*.  trans-76.9112.2153.742.80000106.7
4K57.9Low55Low101 Ų10184.1 Ų84.144%0.43943%0.428SS..  trans-50.4143.2170.7-85.6-164.6168.2-164.20109.6V18 W20K4-V18 HydrophobicContact CB-CG2 3.74Å; K4-W20 PolarHBondContact NZ-O 3.06Å
5P59.2Low55.7Low11 Ų1183.3 Ų83.37%0.07142%0.422CS..  trans-53.9146.8177.116.4-27.4000112.2D10 C11 E15 L16 P17 V18P5-D10 HydrophobicContact CB-CB 3.41Å; P5-D10 VanDerWaalsContact CB-CB 3.41Å; P5-D10 WeakPolarHBondContact CB-O 3.47Å; P5-C11 HydrophobicContact CG-CB 4.37Å; P5-C11 VanDerWaalsContact CG-SG 3.52Å; P5-E15 HydrophobicContact CG-CB 4.22Å; P5-L16 WeakPolarHBondContact CG-O 3.23Å; P5-P17 CarbonylContact O-C 3.51Å; P5-P17 VanDerWaalsContact O-CA 3.26Å; P5-P17 WeakPolarHBondContact O-CA 3.44Å; P5-V18 WeakPolarHBondContact O-CG2 3.5Å; P5-V18 PolarHBondContact O-N 2.68Å
6L58.6Low56.6Low111 Ų11178.8 Ų78.858%0.58140%0.399SS*.SBendtrans-91.8-8.3-171.9-72.8169.8000114D10 V18 K1062L6-D10 WeakPolarHBondContact CA-OD2 2.94Å; L6-D10 WeakPolarHBondContact CB-OD2 3.39Å; L6-D10 PolarHBondContact N-OD2 2.65Å; L6-D10 VanDerWaalsContact N-OD2 3.07Å; L6-V18 HydrophobicContact CD2-CG2 4.13Å; L6-K1062 PolarHBondContact O-NZ 2.87Å
7T57.4Low57.4Low17 Ų1774.4 Ų74.410%0.10438%0.377CS..SBendtrans-154.4169.6-173.1620000109.7A9 D10 C11 L966 K1062 E1066T7-A9 VanDerWaalsContact C-N 3.33Å; T7-D10 PolarHBondContact N-OD2 3.05Å; T7-D10 VanDerWaalsContact N-OD2 3.13Å; T7-D10 PolarHBondContact O-N 3.38Å; T7-D10 PolarHBondContact OG1-N 3.22Å; T7-D10 VanDerWaalsContact OG1-N 3.07Å; T7-D10 PolarHBondContact OG1-OD2 3.47Å; T7-C11 PolarHBondContact O-SG 2.83Å; T7-C11 VanDerWaalsContact O-SG 3.34Å; T7-L966 HydrophobicContact CG2-CD2 4.01Å; T7-L966 WeakPolarHBondContact OG1-CD2 3.29Å; T7-K1062 HydrophobicContact CG2-CD 4.39Å; T7-E1066 WeakPolarHBondContact CB-OE2 3.36Å; T7-E1066 VanDerWaalsContact CG2-OE1 3.23Å; T7-E1066 WeakPolarHBondContact CG2-OE1 3.41Å
8F58.7Low58Low39 Ų3974.6 Ų74.617%0.17138%0.382CS..SBendtrans-67.7-33.9173.6-79.6-63.9000113D10 C11 P17 W20 P45 R46 W49F8-D10 VanDerWaalsContact C-N 3.34Å; F8-D10 PolarHBondContact O-N 3.45Å; F8-C11 WeakPolarHBondContact O-CB 3.33Å; F8-C11 PolarHBondContact O-N 3.25Å; F8-P17 HydrophobicContact CD1-CG 3.48Å; F8-P17 VanDerWaalsContact CD1-CG 3.48Å; F8-P17 HydrophobicContact CD2-CG 4.48Å; F8-P17 HydrophobicContact CE1-CG 3.45Å; F8-P17 VanDerWaalsContact CE1-CG 3.45Å; F8-P17 HydrophobicContact CE2-CG 4.48Å; F8-P17 HydrophobicContact CG-CG 4Å; F8-P17 HydrophobicContact CZ-CG 3.99Å; F8-W20 AromaticContact CE2-CE2 3.98Å; F8-W20 HydrophobicContact CE2-CZ2 4.11Å; F8-W20 AromaticContact CE2-NE1 3.74Å; F8-W20 AromaticContact CZ-CD1 3.82Å; F8-W20 AromaticContact CZ-CD2 3.86Å; F8-W20 HydrophobicContact CZ-CD2 3.86Å; F8-W20 AromaticContact CZ-CE2 3.4Å; F8-W20 HydrophobicContact CZ-CG 4.09Å; F8-W20 HydrophobicContact CZ-CH2 4.42Å; F8-W20 AromaticContact CZ-CZ2 3.7Å; F8-W20 HydrophobicContact CZ-CZ2 3.7Å; F8-W20 AromaticContact CZ-NE1 3.41Å; F8-P45 HydrophobicContact CD1-CB 4.49Å; F8-P45 HydrophobicContact CE1-CB 3.53Å; F8-P45 HydrophobicContact CE1-CG 3.5Å; F8-P45 VanDerWaalsContact CE1-CG 3.5Å; F8-P45 HydrophobicContact CE2-CB 4.36Å; F8-P45 HydrophobicContact CZ-CB 3.44Å; F8-P45 VanDerWaalsContact CZ-CB 3.44Å; F8-P45 HydrophobicContact CZ-CG 3.72Å; F8-R46 HydrophobicContact CD1-CG 4.28Å; F8-W49 HydrophobicContact CB-CB 4.47Å; F8-W49 HydrophobicContact CB-CG 4.09Å
9A55.3Low58.6Low3 Ų371.8 Ų71.83%0.02537%0.374CS..THydrogen-bonded Turntrans-65.9-34.3173.900000112.1T7 C11 L966 R967 T968T7-A9 VanDerWaalsContact C-N 3.33Å; A9-C11 PolarHBondContact O-N 3.12Å; A9-L966 HydrophobicContact CB-CB 3.69Å; A9-L966 HydrophobicContact CB-CD2 4Å; A9-L966 HydrophobicContact CB-CG 4.42Å; A9-R967 CarbonylContact O-C 3.6Å; A9-R967 VanDerWaalsContact O-CA 3.24Å; A9-R967 WeakPolarHBondContact O-CA 3.44Å; A9-R967 PolarHBondContact O-N 3.45Å; A9-T968 PolarHBondContact O-N 3.3Å
10D57.6Low59.6Low41 Ų4169.6 Ų69.622%0.21936%0.36CS..THydrogen-bonded Turntrans-66.8-5.7178.8-65-50.8000114.5P5 L6 T7 F8 L966P5-D10 HydrophobicContact CB-CB 3.41Å; P5-D10 VanDerWaalsContact CB-CB 3.41Å; P5-D10 WeakPolarHBondContact CB-O 3.47Å; L6-D10 WeakPolarHBondContact CA-OD2 2.94Å; L6-D10 WeakPolarHBondContact CB-OD2 3.39Å; L6-D10 PolarHBondContact N-OD2 2.65Å; L6-D10 VanDerWaalsContact N-OD2 3.07Å; T7-D10 PolarHBondContact N-OD2 3.05Å; T7-D10 VanDerWaalsContact N-OD2 3.13Å; T7-D10 PolarHBondContact O-N 3.38Å; T7-D10 PolarHBondContact OG1-N 3.22Å; T7-D10 VanDerWaalsContact OG1-N 3.07Å; T7-D10 PolarHBondContact OG1-OD2 3.47Å; F8-D10 VanDerWaalsContact C-N 3.34Å; F8-D10 PolarHBondContact O-N 3.45Å; D10-L966 PolarHBondContact OD1-N 3.01Å
11C61.5Low60.8Low14 Ų1470.8 Ų70.810%0.09536%0.364CS..  trans-81130.6-170.8-62.80000113.5P5 T7 F8 A9 E15 P17P5-C11 HydrophobicContact CG-CB 4.37Å; P5-C11 VanDerWaalsContact CG-SG 3.52Å; T7-C11 PolarHBondContact O-SG 2.83Å; T7-C11 VanDerWaalsContact O-SG 3.34Å; F8-C11 WeakPolarHBondContact O-CB 3.33Å; F8-C11 PolarHBondContact O-N 3.25Å; A9-C11 PolarHBondContact O-N 3.12Å; C11-E15 WeakPolarHBondContact CB-O 3.46Å; C11-P17 VanDerWaalsContact SG-CD 3.52Å
12I58.4Low63.2Low71 Ų7161.4 Ų61.436%0.36433%0.333SS..  trans-125.6119.1177.6-51.1177.9000109L172 A175I12-L172 HydrophobicContact CG2-CD1 3.82Å; I12-A175 HydrophobicContact CG2-CB 4.49Å
13G60.4Low65.4Low52 Ų5255.9 Ų55.954%0.53631%0.312SS..THydrogen-bonded Turntrans59.3-138.4-173.700000112E15 R46G13-E15 PolarHBondContact O-N 2.91Å; G13-E15 VanDerWaalsContact O-N 3.15Å; G13-R46 PolarHBondContact O-NH1 3.06Å
14D60.3Low66.9Low148 Ų14857.6 Ų57.679%0.79130%0.304SS*.THydrogen-bonded Turntrans-74.2-2-170.9-47.6-47.3000114.6R46D14-R46 PolarHBondContact O-NH1 3.01Å
15E65.3Low68.2Low73 Ų7355.5 Ų55.534%0.34130%0.298SS..  trans-71.3138.8176-61.5-157.317000112.1Q2 P5 C11 G13 R46Q2-E15 WeakPolarHBondContact CG-OE1 3.42Å; Q2-E15 PolarHBondContact NE2-OE1 2.64Å; Q2-E15 VanDerWaalsContact NE2-OE1 3.09Å; P5-E15 HydrophobicContact CG-CB 4.22Å; C11-E15 WeakPolarHBondContact CB-O 3.46Å; G13-E15 PolarHBondContact O-N 2.91Å; G13-E15 VanDerWaalsContact O-N 3.15Å; E15-R46 PolarHBondContact O-NH1 3.45Å
16L70.6Confident69.2Low11 Ų1160.4 Ų60.46%0.05833%0.33CS..  trans-114154.2178.9-77.9172000112P5 W20 E22 Y32 P45 R46P5-L16 WeakPolarHBondContact CG-O 3.23Å; L16-W20 HydrophobicContact CB-CB 4.24Å; L16-E22 HydrophobicContact CD1-CB 3.79Å; L16-Y32 HydrophobicContact CD1-CD1 3.73Å; L16-Y32 HydrophobicContact CD1-CE1 3.91Å; L16-Y32 HydrophobicContact CD2-CD1 4.42Å; L16-P45 HydrophobicContact CD2-CG 4.3Å; L16-R46 HydrophobicContact CD2-CG 4.08Å
17P69.8Low70Confident4 Ų461.5 Ų61.53%0.02634%0.341CS..  trans-61.8163.4-175.3-20.529.9000115.2P5 F8 C11 G19 W20P5-P17 CarbonylContact O-C 3.51Å; P5-P17 VanDerWaalsContact O-CA 3.26Å; P5-P17 WeakPolarHBondContact O-CA 3.44Å; F8-P17 HydrophobicContact CD1-CG 3.48Å; F8-P17 VanDerWaalsContact CD1-CG 3.48Å; F8-P17 HydrophobicContact CD2-CG 4.48Å; F8-P17 HydrophobicContact CE1-CG 3.45Å; F8-P17 VanDerWaalsContact CE1-CG 3.45Å; F8-P17 HydrophobicContact CE2-CG 4.48Å; F8-P17 HydrophobicContact CG-CG 4Å; F8-P17 HydrophobicContact CZ-CG 3.99Å; C11-P17 VanDerWaalsContact SG-CD 3.52Å; P17-G19 PolarHBondContact O-N 3.38Å; P17-W20 PolarHBondContact O-N 3Å
18V68.9Low70.9Confident78 Ų7864.2 Ų64.247%0.47336%0.358SS..THydrogen-bonded Turntrans-58.2121.1166.8170.20000109.8K4 P5 L6K4-V18 HydrophobicContact CB-CG2 3.74Å; P5-V18 WeakPolarHBondContact O-CG2 3.5Å; P5-V18 PolarHBondContact O-N 2.68Å; L6-V18 HydrophobicContact CD2-CG2 4.13Å
19G68.4Low72.1Confident21 Ų2163.4 Ų63.422%0.21636%0.36CS..THydrogen-bonded Turntrans95.2-7.8-175.300000114.1P17 H35P17-G19 PolarHBondContact O-N 3.38Å; G19-H35 VanDerWaalsContact O-CB 3.31Å; G19-H35 WeakPolarHBondContact O-CB 3.39Å; G19-H35 PolarHBondContact O-CD2 3.23Å; G19-H35 VanDerWaalsContact O-CD2 3.32Å; G19-H35 PolarHBondContact O-N 2.9Å
20W80.4Confident73.3Confident27 Ų2765 Ų6510%0.10237%0.373CS..EExtended strand (participates in β ladder)trans-104.2145.4169.5-72.881.3000112.1K4 F8 L16 P17 V33 D34 Q41 P45K4-W20 PolarHBondContact NZ-O 3.06Å; F8-W20 AromaticContact CE2-CE2 3.98Å; F8-W20 HydrophobicContact CE2-CZ2 4.11Å; F8-W20 AromaticContact CE2-NE1 3.74Å; F8-W20 AromaticContact CZ-CD1 3.82Å; F8-W20 AromaticContact CZ-CD2 3.86Å; F8-W20 HydrophobicContact CZ-CD2 3.86Å; F8-W20 AromaticContact CZ-CE2 3.4Å; F8-W20 HydrophobicContact CZ-CG 4.09Å; F8-W20 HydrophobicContact CZ-CH2 4.42Å; F8-W20 AromaticContact CZ-CZ2 3.7Å; F8-W20 HydrophobicContact CZ-CZ2 3.7Å; F8-W20 AromaticContact CZ-NE1 3.41Å; L16-W20 HydrophobicContact CB-CB 4.24Å; P17-W20 PolarHBondContact O-N 3Å; W20-V33 WeakPolarHBondContact CA-O 3.32Å; W20-D34 HydrophobicContact CD2-CB 3.86Å; W20-D34 HydrophobicContact CE3-CB 3.96Å; W20-D34 HydrophobicContact CH2-CB 3.71Å; W20-D34 HydrophobicContact CZ2-CB 3.53Å; W20-D34 HydrophobicContact CZ3-CB 3.9Å; W20-D34 PolarHBondContact NE1-OD1 3.01Å; W20-Q41 HydrophobicContact CZ3-CG 4.15Å; W20-P45 HydrophobicContact CD2-CG 4.2Å; W20-P45 HydrophobicContact CE3-CB 4.33Å; W20-P45 HydrophobicContact CE3-CG 3.7Å; W20-P45 HydrophobicContact CH2-CB 3.76Å; W20-P45 HydrophobicContact CH2-CG 4.06Å; W20-P45 HydrophobicContact CZ2-CB 4.22Å; W20-P45 HydrophobicContact CZ3-CB 3.85Å; W20-P45 HydrophobicContact CZ3-CG 3.62Å
21E83.2Confident74.5Confident96 Ų9666.4 Ų66.445%0.44938%0.376SS..EExtended strand (participates in β ladder)trans-142.5130-178.2-177.7163.8-137.400109.6V33 H35E21-V33 HydrophobicContact CB-CB 4.46Å; E21-V33 PolarHBondContact N-O 3.29Å; E21-V33 PolarHBondContact O-N 3.29Å; E21-H35 IonicContact OE2-CD2 3.33Å; E21-H35 IonicContact OE2-CE1 3.59Å; E21-H35 PolarHBondContact OE2-CE1 3.17Å; E21-H35 IonicContact OE2-NE2 3.02Å; E21-H35 PolarHBondContact OE2-NE2 2.78Å
22E84.1Confident75.7Confident96 Ų9666.8 Ų66.845%0.44938%0.376SS..EExtended strand (participates in β ladder)trans-86.3131.9167.3-171.1173.913800108.1L16 A30 Y32 R46L16-E22 HydrophobicContact CD1-CB 3.79Å; E22-A30 HydrophobicContact CG-CB 4.48Å; E22-Y32 HydrophobicContact CB-CD1 4.1Å; E22-Y32 HydrophobicContact CB-CE1 3.86Å; E22-Y32 HydrophobicContact CG-CD1 4.16Å; E22-Y32 HydrophobicContact CG-CE1 3.6Å; E22-Y32 VanDerWaalsContact OE2-CE1 3.25Å; E22-Y32 WeakPolarHBondContact OE2-CE1 3.45Å; E22-Y32 PolarHBondContact OE2-OH 2.69Å; E22-R46 IonicContact OE2-NH2 3.33Å
23A82.7Confident76.8Confident27 Ų2764.6 Ų64.622%0.22337%0.365CS..EExtended strand (participates in β ladder)trans-129.8160.6174.700000108.9A30 Y31 V33A23-A30 CarbonylContact O-C 3.54Å; A23-A30 WeakPolarHBondContact O-CA 3.45Å; A23-Y31 HydrophobicContact CB-CD1 4.31Å; A23-Y31 HydrophobicContact CB-CD2 4.37Å; A23-Y31 HydrophobicContact CB-CE1 3.71Å; A23-Y31 HydrophobicContact CB-CE2 3.79Å; A23-Y31 VanDerWaalsContact CB-CZ 3.42Å; A23-Y31 PolarHBondContact N-O 3.23Å; A23-Y31 WeakPolarHBondContact O-CD1 3.47Å; A23-Y31 PolarHBondContact O-N 3.06Å; A23-Y31 VanDerWaalsContact O-O 3.11Å; A23-V33 HydrophobicContact CB-CG2 4.47Å
24Y86.1Confident77.9Confident168 Ų16862.5 Ų62.566%0.65934%0.342SS*.EExtended strand (participates in β ladder)trans-127.6124.1-175.4-175.9-90000110.6A30Y24-A30 HydrophobicContact CD2-CB 4.43Å
25D86.4Confident78.8Confident58 Ų5860.2 Ų60.231%0.3133%0.326SS..EExtended strand (participates in β ladder)trans-105.7126.8172.7-173.4-56000108.8V27 V28 G29 Y31D25-V27 PolarHBondContact O-N 3.48Å; D25-V27 WeakPolarHBondContact OD1-CA 3.33Å; D25-V27 WeakPolarHBondContact OD1-CB 3.38Å; D25-V27 PolarHBondContact OD1-N 3.02Å; D25-V28 HydrophobicContact CB-CB 4.02Å; D25-V28 HydrophobicContact CB-CG2 4.29Å; D25-V28 PolarHBondContact O-N 3.19Å; D25-V28 PolarHBondContact OD1-N 3.14Å; D25-G29 PolarHBondContact N-O 3.39Å; D25-G29 WeakPolarHBondContact O-CA 3.45Å; D25-G29 PolarHBondContact O-N 2.92Å; D25-Y31 HydrophobicContact CB-CD1 4.06Å; D25-Y31 HydrophobicContact CB-CE1 3.84Å
26P79.2Confident79.1Confident114 Ų11461.9 Ų61.974%0.7434%0.337SS*.THydrogen-bonded Turntrans-59.3-14.8178.9-25.635.3000116.2
27V75.1Confident79.3Confident134 Ų13465.4 Ų65.481%0.81236%0.36SS*.THydrogen-bonded Turntrans-105.1-31.7-179.6-174.40000111.9D25D25-V27 PolarHBondContact O-N 3.48Å; D25-V27 WeakPolarHBondContact OD1-CA 3.33Å; D25-V27 WeakPolarHBondContact OD1-CB 3.38Å; D25-V27 PolarHBondContact OD1-N 3.02Å
28V76.5Confident79.7Confident74 Ų7474.1 Ų74.145%0.44840%0.397SS..THydrogen-bonded Turntrans-105.5-19.5-173.8-168.40000112.9D25 L42D25-V28 HydrophobicContact CB-CB 4.02Å; D25-V28 HydrophobicContact CB-CG2 4.29Å; D25-V28 PolarHBondContact O-N 3.19Å; D25-V28 PolarHBondContact OD1-N 3.14Å; V28-L42 HydrophobicContact CG1-CD1 4.07Å; V28-L42 HydrophobicContact CG1-CD2 3.67Å; V28-L42 HydrophobicContact CG1-CG 3.79Å
29G83.5Confident80.2Confident22 Ų2279 Ų7923%0.22741%0.407CS..EExtended strand (participates in β ladder)trans91-156.2-174.600000113D25D25-G29 PolarHBondContact N-O 3.39Å; D25-G29 WeakPolarHBondContact O-CA 3.45Å; D25-G29 PolarHBondContact O-N 2.92Å
30A80.8Confident81.1Confident36 Ų3683 Ų8330%0.29843%0.427SS..EExtended strand (participates in β ladder)trans-68.8139172.100000110.5E22 A23 Y24E22-A30 HydrophobicContact CG-CB 4.48Å; A23-A30 CarbonylContact O-C 3.54Å; A23-A30 WeakPolarHBondContact O-CA 3.45Å; Y24-A30 HydrophobicContact CD2-CB 4.43Å
31Y84Confident81.2Confident70 Ų7084 Ų8428%0.27543%0.433SS..EExtended strand (participates in β ladder)trans-144.1151.717670.4-85.9000110.8A23 D25 V33A23-Y31 HydrophobicContact CB-CD1 4.31Å; A23-Y31 HydrophobicContact CB-CD2 4.37Å; A23-Y31 HydrophobicContact CB-CE1 3.71Å; A23-Y31 HydrophobicContact CB-CE2 3.79Å; A23-Y31 VanDerWaalsContact CB-CZ 3.42Å; A23-Y31 PolarHBondContact N-O 3.23Å; A23-Y31 WeakPolarHBondContact O-CD1 3.47Å; A23-Y31 PolarHBondContact O-N 3.06Å; A23-Y31 VanDerWaalsContact O-O 3.11Å; D25-Y31 HydrophobicContact CB-CD1 4.06Å; D25-Y31 HydrophobicContact CB-CE1 3.84Å; Y31-V33 HydrophobicContact CD2-CG2 4.02Å; Y31-V33 HydrophobicContact CE2-CG2 3.68Å
32Y84.9Confident81.2Confident23 Ų2385.2 Ų85.29%0.0944%0.442CS..EExtended strand (participates in β ladder)trans-110.1128.8-170.3-59.3-82.1000110.5L16 E22 T40 Q41 E43 D44L16-Y32 HydrophobicContact CD1-CD1 3.73Å; L16-Y32 HydrophobicContact CD1-CE1 3.91Å; L16-Y32 HydrophobicContact CD2-CD1 4.42Å; E22-Y32 HydrophobicContact CB-CD1 4.1Å; E22-Y32 HydrophobicContact CB-CE1 3.86Å; E22-Y32 HydrophobicContact CG-CD1 4.16Å; E22-Y32 HydrophobicContact CG-CE1 3.6Å; E22-Y32 VanDerWaalsContact OE2-CE1 3.25Å; E22-Y32 WeakPolarHBondContact OE2-CE1 3.45Å; E22-Y32 PolarHBondContact OE2-OH 2.69Å; Y32-T40 CarbonylContact O-C 3.57Å; Y32-T40 WeakPolarHBondContact O-CA 3.32Å; Y32-Q41 PolarHBondContact N-O 2.89Å; Y32-Q41 PolarHBondContact O-N 3.34Å; Y32-E43 WeakPolarHBondContact CD2-O 3.37Å; Y32-D44 HydrophobicContact CD2-CB 4.42Å; Y32-D44 VanDerWaalsContact CE2-CA 3.47Å; Y32-D44 HydrophobicContact CE2-CB 3.79Å
33V83.5Confident81Confident25 Ų2584.9 Ų84.915%0.15244%0.44CS..EExtended strand (participates in β ladder)trans-108.6119-179.4-172.90000109W20 E21 A23 Y31 T40W20-V33 WeakPolarHBondContact CA-O 3.32Å; E21-V33 HydrophobicContact CB-CB 4.46Å; E21-V33 PolarHBondContact N-O 3.29Å; E21-V33 PolarHBondContact O-N 3.29Å; A23-V33 HydrophobicContact CB-CG2 4.47Å; Y31-V33 HydrophobicContact CD2-CG2 4.02Å; Y31-V33 HydrophobicContact CE2-CG2 3.68Å; V33-T40 HydrophobicContact CB-CG2 4.47Å; V33-T40 HydrophobicContact CG1-CG2 4.21Å; V33-T40 HydrophobicContact CG2-CG2 4.06Å
34D82.8Confident80.6Confident7 Ų785.2 Ų85.24%0.03744%0.438CS..EExtended strand (participates in β ladder)trans-94.4107.1168.2-178.924.6000110.5W20 N36 T37 K38 R39W20-D34 HydrophobicContact CD2-CB 3.86Å; W20-D34 HydrophobicContact CE3-CB 3.96Å; W20-D34 HydrophobicContact CH2-CB 3.71Å; W20-D34 HydrophobicContact CZ2-CB 3.53Å; W20-D34 HydrophobicContact CZ3-CB 3.9Å; W20-D34 PolarHBondContact NE1-OD1 3.01Å; D34-N36 PolarHBondContact O-N 3.14Å; D34-N36 WeakPolarHBondContact OD1-CB 3.21Å; D34-N36 PolarHBondContact OD1-N 3.49Å; D34-N36 PolarHBondContact OD1-ND2 3.18Å; D34-T37 WeakPolarHBondContact OD2-CA 3.46Å; D34-T37 WeakPolarHBondContact OD2-CB 3.21Å; D34-T37 VanDerWaalsContact OD2-CG2 3.24Å; D34-T37 WeakPolarHBondContact OD2-CG2 3.49Å; D34-T37 PolarHBondContact OD2-N 3.07Å; D34-T37 PolarHBondContact OD2-OG1 2.86Å; D34-K38 CarbonylContact O-C 3.54Å; D34-K38 WeakPolarHBondContact O-CA 3.33Å; D34-K38 PolarHBondContact O-N 2.85Å; D34-R39 PolarHBondContact N-O 3.39Å; D34-R39 PolarHBondContact O-N 3.5Å; D34-R39 VanDerWaalsContact O-N 3.14Å
35H77.8Confident80Confident101 Ų10177.4 Ų77.447%0.46841%0.408SS..THydrogen-bonded Turntrans-73.1-12.7174.5-64.2-86.3000113G19 E21G19-H35 VanDerWaalsContact O-CB 3.31Å; G19-H35 WeakPolarHBondContact O-CB 3.39Å; G19-H35 PolarHBondContact O-CD2 3.23Å; G19-H35 VanDerWaalsContact O-CD2 3.32Å; G19-H35 PolarHBondContact O-N 2.9Å; E21-H35 IonicContact OE2-CD2 3.33Å; E21-H35 IonicContact OE2-CE1 3.59Å; E21-H35 PolarHBondContact OE2-CE1 3.17Å; E21-H35 IonicContact OE2-NE2 3.02Å; E21-H35 PolarHBondContact OE2-NE2 2.78Å
36N73.6Confident79.3Confident107 Ų10776 Ų7657%0.57240%0.398SS*.THydrogen-bonded Turntrans-77.9-56.3176.9-53.5-77.1000111.2D34D34-N36 PolarHBondContact O-N 3.14Å; D34-N36 WeakPolarHBondContact OD1-CB 3.21Å; D34-N36 PolarHBondContact OD1-N 3.49Å; D34-N36 PolarHBondContact OD1-ND2 3.18Å
37T74.1Confident79Confident86 Ų8672 Ų7253%0.52838%0.376SS..THydrogen-bonded Turntrans-85.4-11.1175.565.60000113.8D34D34-T37 WeakPolarHBondContact OD2-CA 3.46Å; D34-T37 WeakPolarHBondContact OD2-CB 3.21Å; D34-T37 VanDerWaalsContact OD2-CG2 3.24Å; D34-T37 WeakPolarHBondContact OD2-CG2 3.49Å; D34-T37 PolarHBondContact OD2-N 3.07Å; D34-T37 PolarHBondContact OD2-OG1 2.86Å
38K77.9Confident79Confident187 Ų18768.7 Ų68.781%0.81335%0.351SS*.THydrogen-bonded Turntrans61.348.5-175.3-54.1179.1-176.3177.50112.4D34D34-K38 CarbonylContact O-C 3.54Å; D34-K38 WeakPolarHBondContact O-CA 3.33Å; D34-K38 PolarHBondContact O-N 2.85Å
39R80.3Confident78.9Confident181 Ų18166.1 Ų66.168%0.68333%0.334SS*.EExtended strand (participates in β ladder)trans-121.9158-179.4-68.7-178.9171-170.7-3.7110.9D34D34-R39 PolarHBondContact N-O 3.39Å; D34-R39 PolarHBondContact O-N 3.5Å; D34-R39 VanDerWaalsContact O-N 3.14Å
40T86.2Confident78.5Confident103 Ų10368.1 Ų68.163%0.63234%0.337SS*.EExtended strand (participates in β ladder)trans-125.7139.8173.654.90000109.3Y32 V33Y32-T40 CarbonylContact O-C 3.57Å; Y32-T40 WeakPolarHBondContact O-CA 3.32Å; V33-T40 HydrophobicContact CB-CG2 4.47Å; V33-T40 HydrophobicContact CG1-CG2 4.21Å; V33-T40 HydrophobicContact CG2-CG2 4.06Å
41Q83.6Confident78.4Confident50 Ų5071.8 Ų71.823%0.23434%0.343CS..EExtended strand (participates in β ladder)trans-143146.5179.559-176.46200110.4W20 Y32 E43W20-Q41 HydrophobicContact CZ3-CG 4.15Å; Y32-Q41 PolarHBondContact N-O 2.89Å; Y32-Q41 PolarHBondContact O-N 3.34Å; Q41-E43 PolarHBondContact NE2-O 3.46Å
42L83.1Confident78.2Confident120 Ų12073 Ų7363%0.62835%0.351SS*.SBendtrans-76.1-30.2176.6-80.967.5000111.9V28V28-L42 HydrophobicContact CG1-CD1 4.07Å; V28-L42 HydrophobicContact CG1-CD2 3.67Å; V28-L42 HydrophobicContact CG1-CG 3.79Å
43E78.1Confident77.9Confident89 Ų8971.9 Ų71.942%0.41635%0.347SS..SBendtrans-85.3137.7-173.1-172.5173-135.400112.1Y32 Q41 P45 Q48 R51Y32-E43 WeakPolarHBondContact CD2-O 3.37Å; Q41-E43 PolarHBondContact NE2-O 3.46Å; E43-P45 WeakPolarHBondContact O-CD 3.36Å; E43-Q48 HydrophobicContact CG-CG 4Å; E43-Q48 WeakPolarHBondContact OE2-CG 3.42Å; E43-Q48 PolarHBondContact OE2-NE2 3.2Å; E43-R51 IonicContact OE1-CZ 2.96Å; E43-R51 IonicContact OE1-NH2 2.96Å; E43-R51 PolarHBondContact OE1-NH2 3.19Å; E43-R51 IonicContact OE2-NH2 2.68Å; E43-R51 PolarHBondContact OE2-NH2 3.05Å
44D76.3Confident77.9Confident34 Ų3472.7 Ų72.718%0.18235%0.349CS..  trans-61.9118.3177.7-173.2-19.7000110.4Y32 R46 A47 Q48Y32-D44 HydrophobicContact CD2-CB 4.42Å; Y32-D44 VanDerWaalsContact CE2-CA 3.47Å; Y32-D44 HydrophobicContact CE2-CB 3.79Å; D44-R46 PolarHBondContact O-N 2.89Å; D44-R46 WeakPolarHBondContact OD1-CB 3.49Å; D44-R46 WeakPolarHBondContact OD1-CG 3.41Å; D44-R46 IonicContact OD1-CZ 2.74Å; D44-R46 PolarHBondContact OD1-N 3.38Å; D44-R46 IonicContact OD1-NE 2.68Å; D44-R46 PolarHBondContact OD1-NE 3.49Å; D44-R46 VanDerWaalsContact OD1-NE 3.07Å; D44-R46 IonicContact OD1-NH2 3.99Å; D44-R46 IonicContact OD2-CZ 3.73Å; D44-R46 IonicContact OD2-NE 3.44Å; D44-R46 PolarHBondContact OD2-NE 3.35Å; D44-R46 IonicContact OD2-NH2 3.56Å; D44-R46 PolarHBondContact OD2-NH2 3.46Å; D44-A47 HydrophobicContact CB-CB 4.2Å; D44-A47 WeakPolarHBondContact O-CB 3.26Å; D44-A47 PolarHBondContact O-N 3.02Å; D44-Q48 PolarHBondContact O-N 3.22Å; D44-Q48 VanDerWaalsContact O-N 3.09Å
45P72.1Confident78Confident4 Ų474.4 Ų74.43%0.02636%0.364CS..Hα-helixtrans-63.4-21.9178.830.6-40.7000113.3F8 L16 W20 E43 Q48 W49F8-P45 HydrophobicContact CD1-CB 4.49Å; F8-P45 HydrophobicContact CE1-CB 3.53Å; F8-P45 HydrophobicContact CE1-CG 3.5Å; F8-P45 VanDerWaalsContact CE1-CG 3.5Å; F8-P45 HydrophobicContact CE2-CB 4.36Å; F8-P45 HydrophobicContact CZ-CB 3.44Å; F8-P45 VanDerWaalsContact CZ-CB 3.44Å; F8-P45 HydrophobicContact CZ-CG 3.72Å; L16-P45 HydrophobicContact CD2-CG 4.3Å; W20-P45 HydrophobicContact CD2-CG 4.2Å; W20-P45 HydrophobicContact CE3-CB 4.33Å; W20-P45 HydrophobicContact CE3-CG 3.7Å; W20-P45 HydrophobicContact CH2-CB 3.76Å; W20-P45 HydrophobicContact CH2-CG 4.06Å; W20-P45 HydrophobicContact CZ2-CB 4.22Å; W20-P45 HydrophobicContact CZ3-CB 3.85Å; W20-P45 HydrophobicContact CZ3-CG 3.62Å; E43-P45 WeakPolarHBondContact O-CD 3.36Å; P45-Q48 PolarHBondContact O-N 2.85Å; P45-W49 WeakPolarHBondContact O-CB 3.36Å; P45-W49 PolarHBondContact O-N 3.42Å
46R72.5Confident78.3Confident28 Ų2870 Ų7011%0.10634%0.344CS..Hα-helixtrans-66.2-41.3171.8-59.7172.2-70-147.3-0.3111F8 G13 D14 E15 L16 E22 D44 W49 Q50F8-R46 HydrophobicContact CD1-CG 4.28Å; G13-R46 PolarHBondContact O-NH1 3.06Å; D14-R46 PolarHBondContact O-NH1 3.01Å; E15-R46 PolarHBondContact O-NH1 3.45Å; L16-R46 HydrophobicContact CD2-CG 4.08Å; E22-R46 IonicContact OE2-NH2 3.33Å; D44-R46 PolarHBondContact O-N 2.89Å; D44-R46 WeakPolarHBondContact OD1-CB 3.49Å; D44-R46 WeakPolarHBondContact OD1-CG 3.41Å; D44-R46 IonicContact OD1-CZ 2.74Å; D44-R46 PolarHBondContact OD1-N 3.38Å; D44-R46 IonicContact OD1-NE 2.68Å; D44-R46 PolarHBondContact OD1-NE 3.49Å; D44-R46 VanDerWaalsContact OD1-NE 3.07Å; D44-R46 IonicContact OD1-NH2 3.99Å; D44-R46 IonicContact OD2-CZ 3.73Å; D44-R46 IonicContact OD2-NE 3.44Å; D44-R46 PolarHBondContact OD2-NE 3.35Å; D44-R46 IonicContact OD2-NH2 3.56Å; D44-R46 PolarHBondContact OD2-NH2 3.46Å; R46-W49 PolarHBondContact O-N 3.21Å; R46-Q50 WeakPolarHBondContact O-CB 3.24Å; R46-Q50 VanDerWaalsContact O-CG 3.24Å; R46-Q50 WeakPolarHBondContact O-CG 3.28Å; R46-Q50 PolarHBondContact O-N 2.93Å
47A72.5Confident78.9Confident32 Ų3265 Ų6526%0.26432%0.317SS..Hα-helixtrans-70.2-35.3176.300000111.7D44 R51D44-A47 HydrophobicContact CB-CB 4.2Å; D44-A47 WeakPolarHBondContact O-CB 3.26Å; D44-A47 PolarHBondContact O-N 3.02Å; A47-R51 WeakPolarHBondContact O-CB 3.46Å; A47-R51 WeakPolarHBondContact O-CG 3.48Å; A47-R51 PolarHBondContact O-N 2.94Å
48Q75Confident79.5Confident64 Ų6467.3 Ų67.330%0.29932%0.316SS..Hα-helixtrans-60-50170.5-68.9178.8-21.200111.5E43 D44 P45 R51 E52E43-Q48 HydrophobicContact CG-CG 4Å; E43-Q48 WeakPolarHBondContact OE2-CG 3.42Å; E43-Q48 PolarHBondContact OE2-NE2 3.2Å; D44-Q48 PolarHBondContact O-N 3.22Å; D44-Q48 VanDerWaalsContact O-N 3.09Å; P45-Q48 PolarHBondContact O-N 2.85Å; Q48-R51 PolarHBondContact O-N 2.87Å; Q48-E52 PolarHBondContact O-N 3.02Å
49W74.8Confident79.8Confident20 Ų2063 Ų638%0.07630%0.302CS..Hα-helixtrans-63.7-42.5178.6178.5-120.7000112.7F8 P45 R46 R51 E52 Q53 E1066 V1067F8-W49 HydrophobicContact CB-CB 4.47Å; F8-W49 HydrophobicContact CB-CG 4.09Å; P45-W49 WeakPolarHBondContact O-CB 3.36Å; P45-W49 PolarHBondContact O-N 3.42Å; R46-W49 PolarHBondContact O-N 3.21Å; W49-R51 PolarHBondContact O-N 3.04Å; W49-E52 HydrophobicContact CE3-CB 4.48Å; W49-E52 PolarHBondContact O-N 2.9Å; W49-Q53 HydrophobicContact CD2-CG 4.23Å; W49-Q53 HydrophobicContact CZ2-CG 4.05Å; W49-Q53 WeakPolarHBondContact O-CG 3.33Å; W49-Q53 PolarHBondContact O-N 2.99Å; W49-E1066 HydrophobicContact CH2-CB 4.41Å; W49-E1066 HydrophobicContact CZ2-CB 4.33Å; W49-V1067 HydrophobicContact CH2-CG2 3.65Å; W49-V1067 HydrophobicContact CZ3-CG2 3.77Å
50Q75.2Confident80.2Confident63 Ų6354.4 Ų54.429%0.29427%0.269SS..Hα-helixtrans-58.1-46.9174-76.2167.8-0.600111.8R46 E52 Q53 E54R46-Q50 WeakPolarHBondContact O-CB 3.24Å; R46-Q50 VanDerWaalsContact O-CG 3.24Å; R46-Q50 WeakPolarHBondContact O-CG 3.28Å; R46-Q50 PolarHBondContact O-N 2.93Å; Q50-E52 VanDerWaalsContact C-N 3.31Å; Q50-E52 PolarHBondContact O-N 3.15Å; Q50-Q53 WeakPolarHBondContact O-CB 3.46Å; Q50-Q53 PolarHBondContact O-N 3.04Å; Q50-E54 WeakPolarHBondContact O-CG 3.49Å; Q50-E54 PolarHBondContact O-N 2.98Å
51R78.6Confident80.3Confident114 Ų11450.5 Ų50.543%0.4324%0.244SC..Hα-helixtrans-63.4-34.1176.5-75-170.3-73.789.5-10.3113.1E43 A47 Q48 W49 A55E43-R51 IonicContact OE1-CZ 2.96Å; E43-R51 IonicContact OE1-NH2 2.96Å; E43-R51 PolarHBondContact OE1-NH2 3.19Å; E43-R51 IonicContact OE2-NH2 2.68Å; E43-R51 PolarHBondContact OE2-NH2 3.05Å; A47-R51 WeakPolarHBondContact O-CB 3.46Å; A47-R51 WeakPolarHBondContact O-CG 3.48Å; A47-R51 PolarHBondContact O-N 2.94Å; Q48-R51 PolarHBondContact O-N 2.87Å; W49-R51 PolarHBondContact O-N 3.04Å; R51-A55 WeakPolarHBondContact O-CB 3.32Å; R51-A55 PolarHBondContact O-N 2.74Å
52E80Confident80.5Confident95 Ų9550 Ų5044%0.44425%0.249SC..Hα-helixtrans-68.1-42.2173.4-165.2-176.5166.400111.5Q48 W49 Q50 A55 M56Q48-E52 PolarHBondContact O-N 3.02Å; W49-E52 HydrophobicContact CE3-CB 4.48Å; W49-E52 PolarHBondContact O-N 2.9Å; Q50-E52 VanDerWaalsContact C-N 3.31Å; Q50-E52 PolarHBondContact O-N 3.15Å; E52-A55 PolarHBondContact O-N 2.91Å; E52-M56 HydrophobicContact CG-CE 4.32Å; E52-M56 WeakPolarHBondContact O-CB 3.38Å; E52-M56 WeakPolarHBondContact O-CG 3.37Å; E52-M56 PolarHBondContact O-N 3.33Å
53Q78.6Confident80.6Confident0 Ų046.7 Ų46.70%023%0.234CC..Hα-helixtrans-62.3-41.2174.3-71.5-170.4-37.400112.4W49 Q50 M56 L57 T968 L970 D971 F1070W49-Q53 HydrophobicContact CD2-CG 4.23Å; W49-Q53 HydrophobicContact CZ2-CG 4.05Å; W49-Q53 WeakPolarHBondContact O-CG 3.33Å; W49-Q53 PolarHBondContact O-N 2.99Å; Q50-Q53 WeakPolarHBondContact O-CB 3.46Å; Q50-Q53 PolarHBondContact O-N 3.04Å; Q53-M56 HydrophobicContact CG-CE 4.47Å; Q53-L57 WeakPolarHBondContact O-CB 3.48Å; Q53-L57 PolarHBondContact O-N 3.02Å; Q53-T968 VanDerWaalsContact OE1-CG2 3.32Å; Q53-T968 PolarHBondContact OE1-OG1 3.47Å; Q53-L970 HydrophobicContact CB-CD2 3.93Å; Q53-D971 PolarHBondContact NE2-OD2 2.86Å; Q53-F1070 HydrophobicContact CB-CE1 4.1Å; Q53-F1070 HydrophobicContact CB-CE2 3.82Å; Q53-F1070 HydrophobicContact CB-CZ 3.55Å; Q53-F1070 HydrophobicContact CG-CD2 4.15Å; Q53-F1070 HydrophobicContact CG-CE1 4.35Å; Q53-F1070 HydrophobicContact CG-CE2 3.84Å; Q53-F1070 HydrophobicContact CG-CZ 3.97Å; Q53-F1070 WeakPolarHBondContact O-CE1 3.35Å; Q53-F1070 WeakPolarHBondContact O-CZ 3.41Å
54E83.1Confident81Confident41 Ų4142.6 Ų42.619%0.19222%0.215CC..Hα-helixtrans-67.1-40.2174-73.4176.9-16100113.3Q50 L57 R58 V163 L970Q50-E54 WeakPolarHBondContact O-CG 3.49Å; Q50-E54 PolarHBondContact O-N 2.98Å; E54-L57 PolarHBondContact O-N 3.38Å; E54-R58 WeakPolarHBondContact O-CB 3.46Å; E54-R58 WeakPolarHBondContact O-CG 3.27Å; E54-R58 PolarHBondContact O-N 2.81Å; E54-R58 PolarHBondContact O-NE 2.95Å; E54-R58 IonicContact OE2-CZ 2.85Å; E54-R58 IonicContact OE2-NH2 2.74Å; E54-R58 PolarHBondContact OE2-NH2 3.35Å; E54-V163 HydrophobicContact CG-CG1 4.32Å; E54-L970 HydrophobicContact CG-CD2 4.41Å
55A84.2Confident81.6Confident43 Ų4347.8 Ų47.836%0.35523%0.232SC..Hα-helixtrans-62.7-46.8175.800000110.1R51 E52 L57 R58 D59R51-A55 WeakPolarHBondContact O-CB 3.32Å; R51-A55 PolarHBondContact O-N 2.74Å; E52-A55 PolarHBondContact O-N 2.91Å; A55-L57 VanDerWaalsContact C-N 3.33Å; A55-L57 PolarHBondContact O-N 3.34Å; A55-R58 PolarHBondContact O-N 3.12Å; A55-D59 WeakPolarHBondContact O-CB 3.37Å; A55-D59 PolarHBondContact O-N 3.41Å
56M83.9Confident82.2Confident9 Ų951.2 Ų51.24%0.04425%0.25CS..Hα-helixtrans-57.5-41.4172.7-81.8-163.6-71.700113E52 Q53 Y60 W290 V1067 F1070 R1071E52-M56 HydrophobicContact CG-CE 4.32Å; E52-M56 WeakPolarHBondContact O-CB 3.38Å; E52-M56 WeakPolarHBondContact O-CG 3.37Å; E52-M56 PolarHBondContact O-N 3.33Å; Q53-M56 HydrophobicContact CG-CE 4.47Å; M56-Y60 WeakPolarHBondContact O-CB 3.45Å; M56-Y60 PolarHBondContact O-N 3.5Å; M56-W290 HydrophobicContact CB-CH2 3.95Å; M56-W290 HydrophobicContact CG-CH2 4.33Å; M56-W290 WeakPolarHBondContact O-CH2 3.31Å; M56-W290 VanDerWaalsContact O-CZ2 3.31Å; M56-W290 WeakPolarHBondContact O-CZ2 3.34Å; M56-V1067 HydrophobicContact CE-CG1 4.3Å; M56-V1067 HydrophobicContact CE-CG2 4.4Å; M56-V1067 HydrophobicContact SD-CG1 3.81Å; M56-F1070 HydrophobicContact CB-CD1 4.39Å; M56-F1070 HydrophobicContact CB-CE1 3.89Å; M56-F1070 HydrophobicContact CE-CD1 3.77Å; M56-F1070 HydrophobicContact CE-CE1 4.07Å; M56-F1070 HydrophobicContact SD-CD1 4.31Å; M56-R1071 HydrophobicContact SD-CG 4.11Å
57L86.1Confident82.8Confident1 Ų150.1 Ų50.11%0.00525%0.248CC..Hα-helixtrans-65.4-42.3176.4179.258.9000111.9Q53 E54 A55 Y60 L61 L156 I159 N160 L970 I1074Q53-L57 WeakPolarHBondContact O-CB 3.48Å; Q53-L57 PolarHBondContact O-N 3.02Å; E54-L57 PolarHBondContact O-N 3.38Å; A55-L57 VanDerWaalsContact C-N 3.33Å; A55-L57 PolarHBondContact O-N 3.34Å; L57-Y60 PolarHBondContact O-N 3.16Å; L57-L61 HydrophobicContact CD1-CD1 4.37Å; L57-L61 HydrophobicContact CD1-CG 4.4Å; L57-L61 HydrophobicContact CG-CD1 4.22Å; L57-L61 WeakPolarHBondContact O-CB 3.32Å; L57-L61 WeakPolarHBondContact O-CG 3.28Å; L57-L61 PolarHBondContact O-N 3.14Å; L57-L156 HydrophobicContact CD1-CB 4.41Å; L57-L156 HydrophobicContact CD1-CD2 3.83Å; L57-I159 HydrophobicContact CD2-CG2 4.32Å; L57-N160 HydrophobicContact CD2-CB 3.77Å; L57-N160 HydrophobicContact CG-CB 4.38Å; L57-L970 HydrophobicContact CD2-CD1 3.87Å; L57-L970 HydrophobicContact CD2-CD2 4.23Å; L57-I1074 HydrophobicContact CB-CD1 4.44Å; L57-I1074 HydrophobicContact CD1-CD1 3.97Å; L57-I1074 HydrophobicContact CD1-CG1 4.39Å
58R86.6Confident83.6Confident136 Ų13649.4 Ų49.451%0.51324%0.239SC..Hα-helixtrans-64.7-45176.9-74.7178.9-102.6-177.1-11.5112.3E54 A55 Y60 L61 A62E54-R58 WeakPolarHBondContact O-CB 3.46Å; E54-R58 WeakPolarHBondContact O-CG 3.27Å; E54-R58 PolarHBondContact O-N 2.81Å; E54-R58 PolarHBondContact O-NE 2.95Å; E54-R58 IonicContact OE2-CZ 2.85Å; E54-R58 IonicContact OE2-NH2 2.74Å; E54-R58 PolarHBondContact OE2-NH2 3.35Å; A55-R58 PolarHBondContact O-N 3.12Å; R58-Y60 VanDerWaalsContact C-N 3.34Å; R58-Y60 PolarHBondContact O-N 2.97Å; R58-L61 PolarHBondContact O-N 2.8Å; R58-A62 PolarHBondContact O-N 3.47Å
59D86Confident84.2Confident96 Ų9649.8 Ų49.851%0.51325%0.249SC..Hα-helixtrans-59.5-44.6174.1-74-13.8000111.2A55 A62 V63 W290A55-D59 WeakPolarHBondContact O-CB 3.37Å; A55-D59 PolarHBondContact O-N 3.41Å; D59-A62 PolarHBondContact O-N 2.64Å; D59-V63 WeakPolarHBondContact O-CG2 3.34Å; D59-V63 PolarHBondContact O-N 3.36Å; D59-W290 HydrophobicContact CB-CZ2 4.04Å
60Y87.4Confident84.9Confident0 Ų049.3 Ų49.30%025%0.249CC..Hα-helixtrans-62.4-45.2176.4-175.2-94.6000112.3M56 L57 R58 A62 V63 A64 L156 W290 L293 I1074 T1078M56-Y60 WeakPolarHBondContact O-CB 3.45Å; M56-Y60 PolarHBondContact O-N 3.5Å; L57-Y60 PolarHBondContact O-N 3.16Å; R58-Y60 VanDerWaalsContact C-N 3.34Å; R58-Y60 PolarHBondContact O-N 2.97Å; Y60-A62 VanDerWaalsContact C-N 3.28Å; Y60-A62 PolarHBondContact O-N 2.94Å; Y60-V63 PolarHBondContact O-N 2.95Å; Y60-A64 HydrophobicContact CD1-CB 4.05Å; Y60-A64 HydrophobicContact CE1-CB 3.66Å; Y60-A64 WeakPolarHBondContact O-CB 3.3Å; Y60-A64 PolarHBondContact O-N 3.29Å; Y60-L156 HydrophobicContact CD1-CD1 3.93Å; Y60-L156 HydrophobicContact CE1-CD1 3.66Å; Y60-W290 AromaticContact CD2-CD2 3.73Å; Y60-W290 HydrophobicContact CD2-CD2 3.73Å; Y60-W290 AromaticContact CD2-CE3 3.45Å; Y60-W290 HydrophobicContact CD2-CE3 3.45Å; Y60-W290 VanDerWaalsContact CD2-CE3 3.45Å; Y60-W290 HydrophobicContact CD2-CG 4.21Å; Y60-W290 HydrophobicContact CD2-CH2 4.48Å; Y60-W290 AromaticContact CD2-CZ3 3.83Å; Y60-W290 HydrophobicContact CD2-CZ3 3.83Å; Y60-W290 HydrophobicContact CE2-CE3 4.23Å; Y60-W290 HydrophobicContact CG-CE3 4.3Å; Y60-W290 HydrophobicContact CG-CZ3 4.26Å; Y60-L293 HydrophobicContact CE2-CB 4.41Å; Y60-I1074 HydrophobicContact CD1-CG2 3.15Å; Y60-I1074 HydrophobicContact CD2-CG2 3.92Å; Y60-I1074 HydrophobicContact CE1-CG2 3.48Å; Y60-I1074 VanDerWaalsContact CE1-CG2 3.48Å; Y60-I1074 HydrophobicContact CE2-CG2 4.2Å; Y60-I1074 HydrophobicContact CG-CG2 3.39Å; Y60-T1078 HydrophobicContact CE1-CG2 4.01Å; Y60-T1078 PolarHBondContact OH-OG1 3.38Å
61L89.1Confident85.5Confident21 Ų2146.9 Ų46.911%0.1124%0.238CC..Hα-helixtrans-59.3-38.7178-77.7169.6000111.5L57 R58 R65 F153 L156 I157 N160L57-L61 HydrophobicContact CD1-CD1 4.37Å; L57-L61 HydrophobicContact CD1-CG 4.4Å; L57-L61 HydrophobicContact CG-CD1 4.22Å; L57-L61 WeakPolarHBondContact O-CB 3.32Å; L57-L61 WeakPolarHBondContact O-CG 3.28Å; L57-L61 PolarHBondContact O-N 3.14Å; R58-L61 PolarHBondContact O-N 2.8Å; L61-R65 VanDerWaalsContact O-CB 3.26Å; L61-R65 WeakPolarHBondContact O-CB 3.42Å; L61-R65 PolarHBondContact O-N 3.42Å; L61-F153 HydrophobicContact CB-CE2 4.37Å; L61-F153 HydrophobicContact CD2-CD2 3.77Å; L61-F153 HydrophobicContact CD2-CE2 3.52Å; L61-F153 HydrophobicContact CD2-CZ 4.24Å; L61-F153 WeakPolarHBondContact O-CE2 3.46Å; L61-L156 HydrophobicContact CD2-CB 3.74Å; L61-I157 HydrophobicContact CD2-CG1 3.95Å; L61-N160 HydrophobicContact CD1-CB 4.08Å
62A87.4Confident86.1Confident40 Ų4045.7 Ų45.733%0.33124%0.236SC..Hα-helixtrans-60.8-52.5174.300000112.1R58 D59 Y60 A64 R65 D66R58-A62 PolarHBondContact O-N 3.47Å; D59-A62 PolarHBondContact O-N 2.64Å; Y60-A62 VanDerWaalsContact C-N 3.28Å; Y60-A62 PolarHBondContact O-N 2.94Å; A62-A64 PolarHBondContact O-N 3.44Å; A62-R65 PolarHBondContact O-N 3.49Å; A62-D66 PolarHBondContact O-N 3.16Å
63V84.9Confident86.6Confident50 Ų5044.2 Ų44.230%0.30323%0.229SC..Hα-helixtrans-70-33.8-177.9-1700000112D59 Y60 D66 A67 L293 P296D59-V63 WeakPolarHBondContact O-CG2 3.34Å; D59-V63 PolarHBondContact O-N 3.36Å; Y60-V63 PolarHBondContact O-N 2.95Å; V63-D66 PolarHBondContact O-N 3.44Å; V63-A67 WeakPolarHBondContact O-CB 3.31Å; V63-A67 PolarHBondContact O-N 2.82Å; V63-L293 HydrophobicContact CB-CD2 4.27Å; V63-L293 HydrophobicContact CG1-CD2 3.6Å; V63-P296 HydrophobicContact CG1-CG 3.77Å
64A86.4Confident87.2Confident4 Ų444.4 Ų44.43%0.03323%0.23CC..Hα-helixtrans-68.9-38176.700000112.5Y60 A62 A67 L68 F153Y60-A64 HydrophobicContact CD1-CB 4.05Å; Y60-A64 HydrophobicContact CE1-CB 3.66Å; Y60-A64 WeakPolarHBondContact O-CB 3.3Å; Y60-A64 PolarHBondContact O-N 3.29Å; A62-A64 PolarHBondContact O-N 3.44Å; A64-A67 PolarHBondContact O-N 3.28Å; A64-L68 WeakPolarHBondContact O-CB 3.29Å; A64-L68 PolarHBondContact O-N 2.96Å; A64-F153 HydrophobicContact CB-CD2 3.98Å; A64-F153 HydrophobicContact CB-CE2 4.21Å
65R88.3Confident87.6Confident143 Ų14344.9 Ų44.954%0.5423%0.23SC..Hα-helixtrans-61-46.1172.3-178-168.163.8-160-6.7111.3L61 A62 A67 L68 S69 F153L61-R65 VanDerWaalsContact O-CB 3.26Å; L61-R65 WeakPolarHBondContact O-CB 3.42Å; L61-R65 PolarHBondContact O-N 3.42Å; A62-R65 PolarHBondContact O-N 3.49Å; R65-A67 PolarHBondContact O-N 3.06Å; R65-L68 WeakPolarHBondContact O-CB 3.47Å; R65-L68 PolarHBondContact O-N 3.17Å; R65-S69 PolarHBondContact O-N 3.44Å; R65-F153 HydrophobicContact CB-CE2 3.98Å; R65-F153 HydrophobicContact CB-CZ 3.76Å; R65-F153 HydrophobicContact CG-CZ 4.26Å
66D85.5Confident88Confident75 Ų7548 Ų4840%0.40124%0.237SC..Hα-helixtrans-66-38.6-179.2-69.114.7000111.4A62 V63 S69 A70A62-D66 PolarHBondContact O-N 3.16Å; V63-D66 PolarHBondContact O-N 3.44Å; D66-S69 PolarHBondContact O-N 2.71Å; D66-A70 PolarHBondContact O-N 2.86Å
67A85.5Confident88.4Confident6 Ų647.9 Ų47.95%0.0524%0.237CC..Hα-helixtrans-66.3-40.7172.400000112.7V63 A64 R65 S69 A70 Q71 L293V63-A67 WeakPolarHBondContact O-CB 3.31Å; V63-A67 PolarHBondContact O-N 2.82Å; A64-A67 PolarHBondContact O-N 3.28Å; R65-A67 PolarHBondContact O-N 3.06Å; A67-S69 VanDerWaalsContact C-N 3.34Å; A67-A70 PolarHBondContact O-N 2.86Å; A67-Q71 WeakPolarHBondContact O-CG 3.39Å; A67-Q71 PolarHBondContact O-N 2.92Å; A67-L293 HydrophobicContact CB-CD1 4.27Å; A67-L293 HydrophobicContact CB-CD2 4.36Å
68L88Confident88.7Confident16 Ų1648.9 Ų48.98%0.08424%0.242CC..Hα-helixtrans-61.1-41.4172-92.5170.7000111.9A64 R65 Q71 K72 K149 E150 F153A64-L68 WeakPolarHBondContact O-CB 3.29Å; A64-L68 PolarHBondContact O-N 2.96Å; R65-L68 WeakPolarHBondContact O-CB 3.47Å; R65-L68 PolarHBondContact O-N 3.17Å; L68-Q71 PolarHBondContact O-N 2.89Å; L68-K72 WeakPolarHBondContact O-CG 3.41Å; L68-K72 PolarHBondContact O-N 2.89Å; L68-K149 HydrophobicContact CD2-CB 3.63Å; L68-K149 HydrophobicContact CG-CB 4.39Å; L68-E150 HydrophobicContact CD2-CG 3.95Å; L68-F153 HydrophobicContact CD1-CB 3.57Å; L68-F153 HydrophobicContact CD1-CD1 3.84Å; L68-F153 HydrophobicContact CD1-CD2 4.06Å; L68-F153 HydrophobicContact CD1-CG 3.56Å
69S89.4Confident89Confident73 Ų7346.3 Ų46.351%0.5124%0.235SC..Hα-helixtrans-62.4-47.3176.8-165.30000111.4R65 D66 A67 Q71 K72 E73R65-S69 PolarHBondContact O-N 3.44Å; D66-S69 PolarHBondContact O-N 2.71Å; A67-S69 VanDerWaalsContact C-N 3.34Å; S69-Q71 VanDerWaalsContact C-N 3.26Å; S69-Q71 PolarHBondContact O-N 2.9Å; S69-K72 PolarHBondContact O-N 3.32Å; S69-E73 PolarHBondContact O-N 3.37Å
70A87.8Confident89.3Confident9 Ų946.1 Ų46.17%0.07423%0.231CC..Hα-helixtrans-59.1-37.6175.600000112.1D66 A67 E73 I74 D299D66-A70 PolarHBondContact O-N 2.86Å; A67-A70 PolarHBondContact O-N 2.86Å; A70-E73 PolarHBondContact O-N 3.48Å; A70-I74 VanDerWaalsContact O-CG1 3.29Å; A70-I74 WeakPolarHBondContact O-CG1 3.42Å; A70-I74 PolarHBondContact O-N 3.4Å; A70-D299 HydrophobicContact CB-CB 4.46Å
71Q89Confident89.5Confident12 Ų1246.8 Ų46.86%0.05623%0.234CC..Hα-helixtrans-75-32.7176.7-69.5-175.52.500113.6A67 L68 S69 E73 I74 Y75 M142 D299A67-Q71 WeakPolarHBondContact O-CG 3.39Å; A67-Q71 PolarHBondContact O-N 2.92Å; L68-Q71 PolarHBondContact O-N 2.89Å; S69-Q71 VanDerWaalsContact C-N 3.26Å; S69-Q71 PolarHBondContact O-N 2.9Å; Q71-E73 VanDerWaalsContact C-N 3.28Å; Q71-E73 PolarHBondContact O-N 2.92Å; Q71-I74 HydrophobicContact CG-CD1 4.39Å; Q71-I74 PolarHBondContact O-N 3.33Å; Q71-Y75 WeakPolarHBondContact O-CB 3.2Å; Q71-Y75 PolarHBondContact O-N 2.81Å; Q71-M142 HydrophobicContact CB-CE 4.31Å; Q71-M142 WeakPolarHBondContact O-CE 3.33Å; Q71-D299 HydrophobicContact CG-CB 4.42Å; Q71-D299 PolarHBondContact NE2-OD1 2.96Å; Q71-D299 PolarHBondContact NE2-OD2 3.43Å
72K91.6Very high89.6Confident90 Ų9046.7 Ų46.739%0.39123%0.233SC..Hα-helixtrans-61-40.1167.7-73.8177.8-178.6-159.60111.3L68 S69 Y75 Q76 L146 E150L68-K72 WeakPolarHBondContact O-CG 3.41Å; L68-K72 PolarHBondContact O-N 2.89Å; S69-K72 PolarHBondContact O-N 3.32Å; K72-Y75 WeakPolarHBondContact O-CB 3.47Å; K72-Y75 PolarHBondContact O-N 2.91Å; K72-Q76 WeakPolarHBondContact O-CG 3.39Å; K72-Q76 PolarHBondContact O-N 3.33Å; K72-L146 HydrophobicContact CG-CD1 3.87Å; K72-E150 WeakPolarHBondContact CE-OE1 3.49Å; K72-E150 IonicContact NZ-OE1 3.73Å; K72-E150 PolarHBondContact NZ-OE1 2.95Å
73E90.7Very high89.8Confident63 Ų6350.1 Ų50.129%0.29424%0.242SC..Hα-helixtrans-68.9-42.7177.9-155.2-178.8167.400112.3S69 A70 Q71 Y75 Q76 V77 L303 K307S69-E73 PolarHBondContact O-N 3.37Å; A70-E73 PolarHBondContact O-N 3.48Å; Q71-E73 VanDerWaalsContact C-N 3.28Å; Q71-E73 PolarHBondContact O-N 2.92Å; E73-Y75 PolarHBondContact O-N 2.91Å; E73-Q76 PolarHBondContact O-N 3.44Å; E73-V77 WeakPolarHBondContact O-CG2 3.33Å; E73-V77 PolarHBondContact O-N 3.12Å; E73-L303 HydrophobicContact CB-CD1 3.89Å; E73-L303 HydrophobicContact CB-CD2 4.31Å; E73-L303 HydrophobicContact CG-CD1 3.8Å; E73-L303 HydrophobicContact CG-CD2 4.35Å; E73-L303 VanDerWaalsContact OE2-CD2 3.29Å; E73-L303 WeakPolarHBondContact OE2-CD2 3.42Å; E73-K307 WeakPolarHBondContact OE1-CE 3.28Å; E73-K307 IonicContact OE1-NZ 3.8Å; E73-K307 PolarHBondContact OE1-NZ 3.33Å
74I89.8Confident90Very high5 Ų549.2 Ų49.23%0.02624%0.236CC..Hα-helixtrans-58.2-39.1171.8-67158.1000110.9A70 Q71 V77 K78 M142 D299 I302 L303 E306A70-I74 VanDerWaalsContact O-CG1 3.29Å; A70-I74 WeakPolarHBondContact O-CG1 3.42Å; A70-I74 PolarHBondContact O-N 3.4Å; Q71-I74 HydrophobicContact CG-CD1 4.39Å; Q71-I74 PolarHBondContact O-N 3.33Å; I74-V77 PolarHBondContact O-N 3.5Å; I74-K78 HydrophobicContact CG2-CD 4.06Å; I74-K78 HydrophobicContact CG2-CG 4.43Å; I74-K78 WeakPolarHBondContact O-CB 3.27Å; I74-K78 WeakPolarHBondContact O-CG 3.49Å; I74-K78 PolarHBondContact O-N 3.49Å; I74-M142 HydrophobicContact CB-CE 3.63Å; I74-M142 HydrophobicContact CG2-CE 3.52Å; I74-M142 HydrophobicContact CG2-SD 3.88Å; I74-D299 HydrophobicContact CD1-CB 4.45Å; I74-D299 WeakPolarHBondContact CD1-O 3.47Å; I74-I302 HydrophobicContact CD1-CB 4.17Å; I74-I302 HydrophobicContact CD1-CG2 3.9Å; I74-I302 HydrophobicContact CG1-CG2 4.29Å; I74-I302 HydrophobicContact CG2-CG2 4.2Å; I74-L303 HydrophobicContact CD1-CB 4.23Å; I74-L303 HydrophobicContact CG1-CB 3.67Å; I74-L303 HydrophobicContact CG1-CD1 3.91Å; I74-L303 HydrophobicContact CG1-CG 4.37Å; I74-E306 HydrophobicContact CG2-CG 4.39Å
75Y92.3Very high90.1Very high51 Ų5149 Ų4920%0.223%0.234CC..Hα-helixtrans-65.3-47.6179.3178.8-89.9000111Q71 K72 E73 V77 K78 E79 L139 M142 K143Q71-Y75 WeakPolarHBondContact O-CB 3.2Å; Q71-Y75 PolarHBondContact O-N 2.81Å; K72-Y75 WeakPolarHBondContact O-CB 3.47Å; K72-Y75 PolarHBondContact O-N 2.91Å; E73-Y75 PolarHBondContact O-N 2.91Å; Y75-V77 PolarHBondContact O-N 3.47Å; Y75-K78 PolarHBondContact O-N 3.48Å; Y75-E79 WeakPolarHBondContact O-CB 3.4Å; Y75-E79 PolarHBondContact O-N 3.28Å; Y75-L139 HydrophobicContact CD2-CD2 3.59Å; Y75-L139 HydrophobicContact CE2-CB 4.45Å; Y75-L139 HydrophobicContact CE2-CD2 3.53Å; Y75-L139 HydrophobicContact CG-CD2 4.24Å; Y75-M142 HydrophobicContact CD2-CG 4.37Å; Y75-M142 HydrophobicContact CD2-SD 4.28Å; Y75-K143 HydrophobicContact CE2-CB 3.93Å
76Q93.3Very high90.3Very high108 Ų10844.9 Ų44.951%0.50522%0.221SC..Hα-helixtrans-60-43.7175.7-70.7169.9-4.400112.2K72 E73 E79 Q80K72-Q76 WeakPolarHBondContact O-CG 3.39Å; K72-Q76 PolarHBondContact O-N 3.33Å; E73-Q76 PolarHBondContact O-N 3.44Å; Q76-E79 PolarHBondContact O-N 2.91Å; Q76-Q80 WeakPolarHBondContact O-CG 3.3Å; Q76-Q80 PolarHBondContact O-N 3.01Å
77V91.6Very high90.4Very high7 Ų745.1 Ų45.14%0.04222%0.22CC..Hα-helixtrans-61.7-47.7175.6170.40000110.5E73 I74 Y75 E79 Q80 R81 L303 E306 K307 L310E73-V77 WeakPolarHBondContact O-CG2 3.33Å; E73-V77 PolarHBondContact O-N 3.12Å; I74-V77 PolarHBondContact O-N 3.5Å; Y75-V77 PolarHBondContact O-N 3.47Å; V77-E79 VanDerWaalsContact C-N 3.29Å; V77-E79 PolarHBondContact O-N 2.95Å; V77-Q80 PolarHBondContact O-N 3.46Å; V77-R81 VanDerWaalsContact O-CG 3.28Å; V77-R81 WeakPolarHBondContact O-CG 3.35Å; V77-R81 PolarHBondContact O-N 3.42Å; V77-L303 HydrophobicContact CG2-CD1 4.32Å; V77-E306 HydrophobicContact CG1-CB 3.79Å; V77-E306 WeakPolarHBondContact CG1-O 3.4Å; V77-K307 HydrophobicContact CG1-CG 4.48Å; V77-K307 HydrophobicContact CG2-CG 3.92Å; V77-L310 HydrophobicContact CG1-CB 4.11Å; V77-L310 HydrophobicContact CG1-CD2 4.09Å
78K91.9Very high90.5Very high22 Ų2246.8 Ų46.810%0.09623%0.226CC..Hα-helixtrans-62.8-33.4176.3-77.3178.8178.3-66.40113.1I74 Y75 R81 L82 L139 M142 E306I74-K78 HydrophobicContact CG2-CD 4.06Å; I74-K78 HydrophobicContact CG2-CG 4.43Å; I74-K78 WeakPolarHBondContact O-CB 3.27Å; I74-K78 WeakPolarHBondContact O-CG 3.49Å; I74-K78 PolarHBondContact O-N 3.49Å; Y75-K78 PolarHBondContact O-N 3.48Å; K78-R81 PolarHBondContact O-N 2.85Å; K78-L82 WeakPolarHBondContact O-CB 3.42Å; K78-L82 PolarHBondContact O-N 3.43Å; K78-L139 HydrophobicContact CB-CD1 4.5Å; K78-L139 HydrophobicContact CB-CD2 3.61Å; K78-L139 HydrophobicContact CB-CG 4.02Å; K78-M142 HydrophobicContact CD-SD 3.92Å; K78-E306 WeakPolarHBondContact CE-OE1 3.39Å; K78-E306 IonicContact NZ-OE1 3.81Å; K78-E306 PolarHBondContact NZ-OE1 3.41Å; K78-E306 IonicContact NZ-OE2 3.99Å; K78-E306 PolarHBondContact NZ-OE2 3.04Å; K78-E306 VanDerWaalsContact NZ-OE2 3.15Å
79E93.3Very high90.6Very high81 Ų8149 Ų4938%0.37923%0.234SC..Hα-helixtrans-67.5-45.7174.9-178.9166.3-128.500111.6Y75 Q76 V77 R81 L82 Q83 L139Y75-E79 WeakPolarHBondContact O-CB 3.4Å; Y75-E79 PolarHBondContact O-N 3.28Å; Q76-E79 PolarHBondContact O-N 2.91Å; V77-E79 VanDerWaalsContact C-N 3.29Å; V77-E79 PolarHBondContact O-N 2.95Å; E79-R81 VanDerWaalsContact C-N 3.34Å; E79-R81 PolarHBondContact O-N 2.93Å; E79-L82 WeakPolarHBondContact O-CB 3.5Å; E79-L82 PolarHBondContact O-N 3.46Å; E79-L82 VanDerWaalsContact O-N 3.17Å; E79-Q83 WeakPolarHBondContact O-CG 3.41Å; E79-Q83 PolarHBondContact O-N 3.09Å; E79-L139 HydrophobicContact CB-CD2 4.45Å
80Q91.4Very high90.6Very high93 Ų9351.8 Ų51.844%0.43523%0.233SC..Hα-helixtrans-58.2-45.3172.3-70.5170.9-8.200111.4Q76 V77 L82 Q83 L84 L310Q76-Q80 WeakPolarHBondContact O-CG 3.3Å; Q76-Q80 PolarHBondContact O-N 3.01Å; V77-Q80 PolarHBondContact O-N 3.46Å; Q80-L82 VanDerWaalsContact C-N 3.35Å; Q80-L82 PolarHBondContact O-N 3.33Å; Q80-Q83 WeakPolarHBondContact O-CB 3.46Å; Q80-Q83 PolarHBondContact O-N 3.19Å; Q80-Q83 VanDerWaalsContact O-N 3.16Å; Q80-L84 WeakPolarHBondContact O-CG 3.44Å; Q80-L84 PolarHBondContact O-N 2.64Å; Q80-L310 HydrophobicContact CB-CD1 4.14Å; Q80-L310 VanDerWaalsContact OE1-CD2 3.26Å
81R91.6Very high90.5Very high13 Ų1354.6 Ų54.65%0.04925%0.245CC..Hα-helixtrans-60.5-40.1174.3-68.6-17264.5-166.84.1113V77 K78 E79 L84 A85 L135 E306 E309 L310 E313V77-R81 VanDerWaalsContact O-CG 3.28Å; V77-R81 WeakPolarHBondContact O-CG 3.35Å; V77-R81 PolarHBondContact O-N 3.42Å; K78-R81 PolarHBondContact O-N 2.85Å; E79-R81 VanDerWaalsContact C-N 3.34Å; E79-R81 PolarHBondContact O-N 2.93Å; R81-L84 PolarHBondContact O-N 2.82Å; R81-A85 WeakPolarHBondContact O-CB 3.35Å; R81-A85 PolarHBondContact O-N 3.49Å; R81-L135 HydrophobicContact CB-CD1 4.33Å; R81-E306 IonicContact CZ-OE2 2.82Å; R81-E306 IonicContact NH1-OE2 3.83Å; R81-E306 PolarHBondContact NH1-OE2 3.44Å; R81-E309 IonicContact CZ-OE2 3.45Å; R81-E309 IonicContact NH1-OE2 3.07Å; R81-E309 PolarHBondContact NH1-OE2 3.46Å; R81-E309 IonicContact NH2-OE2 2.81Å; R81-E309 PolarHBondContact NH2-OE2 3.34Å; R81-L310 HydrophobicContact CG-CB 3.85Å; R81-L310 HydrophobicContact CG-CD1 3.85Å; R81-L310 HydrophobicContact CG-CG 4.41Å; R81-E313 WeakPolarHBondContact CB-OE2 3.28Å; R81-E313 VanDerWaalsContact CG-OE2 3.23Å; R81-E313 WeakPolarHBondContact CG-OE2 3.32Å; R81-E313 IonicContact CZ-OE1 3.8Å; R81-E313 IonicContact CZ-OE2 2.76Å; R81-E313 IonicContact NE-OE1 3.06Å; R81-E313 IonicContact NE-OE2 2.73Å; R81-E313 PolarHBondContact NE-OE2 3.04Å; R81-E313 IonicContact NH2-OE1 2.71Å; R81-E313 PolarHBondContact NH2-OE1 3.47Å; R81-E313 IonicContact NH2-OE2 3.75Å
82L92.7Very high90.4Very high19 Ų1954.3 Ų54.310%0.09924%0.244CC..Hα-helixtrans-63.4-41.9173.7175.262.1000111.2K78 E79 Q80 A85 Q86 V132 L135 K136 L139K78-L82 WeakPolarHBondContact O-CB 3.42Å; K78-L82 PolarHBondContact O-N 3.43Å; E79-L82 WeakPolarHBondContact O-CB 3.5Å; E79-L82 PolarHBondContact O-N 3.46Å; E79-L82 VanDerWaalsContact O-N 3.17Å; Q80-L82 VanDerWaalsContact C-N 3.35Å; Q80-L82 PolarHBondContact O-N 3.33Å; L82-A85 PolarHBondContact O-N 2.76Å; L82-Q86 HydrophobicContact CD1-CG 4.04Å; L82-Q86 HydrophobicContact CG-CG 4.41Å; L82-Q86 WeakPolarHBondContact O-CB 3.35Å; L82-Q86 VanDerWaalsContact O-CG 3.27Å; L82-Q86 WeakPolarHBondContact O-CG 3.24Å; L82-Q86 PolarHBondContact O-N 3.42Å; L82-V132 HydrophobicContact CD1-CG1 4.06Å; L82-L135 HydrophobicContact CB-CB 4.18Å; L82-L135 HydrophobicContact CD1-CB 3.92Å; L82-K136 HydrophobicContact CD1-CG 4.09Å; L82-K136 HydrophobicContact CD2-CG 4.17Å; L82-L139 HydrophobicContact CB-CD1 3.82Å; L82-L139 HydrophobicContact CD2-CD1 3.56Å; L82-L139 HydrophobicContact CG-CD1 4.29Å
83Q91.3Very high90.3Very high112 Ų11251.7 Ų51.752%0.52323%0.234SC..Hα-helixtrans-61.7-45.1176.5-68.2173.515.100111.4E79 Q80 Q86 Q87E79-Q83 WeakPolarHBondContact O-CG 3.41Å; E79-Q83 PolarHBondContact O-N 3.09Å; Q80-Q83 WeakPolarHBondContact O-CB 3.46Å; Q80-Q83 PolarHBondContact O-N 3.19Å; Q80-Q83 VanDerWaalsContact O-N 3.16Å; Q83-Q86 PolarHBondContact O-N 3.35Å; Q83-Q87 WeakPolarHBondContact O-CB 3.44Å; Q83-Q87 PolarHBondContact O-N 2.93Å
84L88.2Confident90.1Very high32 Ų3251.9 Ų51.917%0.16824%0.237CC..Hα-helixtrans-61.3-50.5174.8-66.3179.1000111.8Q80 R81 Q86 Q87 E88 L310 E313 L314 V317Q80-L84 WeakPolarHBondContact O-CG 3.44Å; Q80-L84 PolarHBondContact O-N 2.64Å; R81-L84 PolarHBondContact O-N 2.82Å; L84-Q86 VanDerWaalsContact C-N 3.29Å; L84-Q86 PolarHBondContact O-N 3.29Å; L84-Q87 PolarHBondContact O-N 2.92Å; L84-E88 PolarHBondContact O-N 3.15Å; L84-L310 HydrophobicContact CD1-CD1 3.7Å; L84-E313 HydrophobicContact CD1-CB 4.05Å; L84-L314 HydrophobicContact CD1-CD2 3.8Å; L84-L314 HydrophobicContact CD1-CG 4.12Å; L84-L314 HydrophobicContact CD2-CD2 4.41Å; L84-V317 HydrophobicContact CD2-CG2 4.39Å
85A89.2Confident89.9Confident0 Ų054 Ų540%026%0.256CS..Hα-helixtrans-61.3-35.8179.100000112.5R81 L82 Y89 R131 V132 L135R81-A85 WeakPolarHBondContact O-CB 3.35Å; R81-A85 PolarHBondContact O-N 3.49Å; L82-A85 PolarHBondContact O-N 2.76Å; A85-Y89 WeakPolarHBondContact O-CB 3.11Å; A85-Y89 PolarHBondContact O-N 2.91Å; A85-R131 HydrophobicContact CB-CG 4.17Å; A85-V132 HydrophobicContact CB-CG2 3.87Å; A85-V132 WeakPolarHBondContact O-CG2 3.41Å; A85-L135 HydrophobicContact CB-CD1 3.97Å
86Q91.7Very high89.4Confident56 Ų5656.2 Ų56.226%0.26226%0.264SS..Hα-helixtrans-68.6-39.1171.8-75.9-176.928.200112.8L82 Q83 L84 E88 R90 V132L82-Q86 HydrophobicContact CD1-CG 4.04Å; L82-Q86 HydrophobicContact CG-CG 4.41Å; L82-Q86 WeakPolarHBondContact O-CB 3.35Å; L82-Q86 VanDerWaalsContact O-CG 3.27Å; L82-Q86 WeakPolarHBondContact O-CG 3.24Å; L82-Q86 PolarHBondContact O-N 3.42Å; Q83-Q86 PolarHBondContact O-N 3.35Å; L84-Q86 VanDerWaalsContact C-N 3.29Å; L84-Q86 PolarHBondContact O-N 3.29Å; Q86-E88 VanDerWaalsContact C-N 3.34Å; Q86-R90 WeakPolarHBondContact O-CG 3.39Å; Q86-R90 PolarHBondContact O-N 2.85Å; Q86-R90 PolarHBondContact O-NE 3.2Å; Q86-V132 HydrophobicContact CG-CG1 4.03Å; Q86-V132 HydrophobicContact CG-CG2 4.15Å
87Q89.2Confident88.9Confident80 Ų8057.4 Ų57.437%0.37426%0.263SS..Hα-helixtrans-67.4-38.6178.2-158.2-158.658.100110.5Q83 L84 Q91Q83-Q87 WeakPolarHBondContact O-CB 3.44Å; Q83-Q87 PolarHBondContact O-N 2.93Å; L84-Q87 PolarHBondContact O-N 2.92Å; Q87-Q91 VanDerWaalsContact C-NE2 3.3Å; Q87-Q91 VanDerWaalsContact O-CG 3.32Å; Q87-Q91 WeakPolarHBondContact O-CG 3.49Å; Q87-Q91 PolarHBondContact O-N 3.39Å; Q87-Q91 PolarHBondContact O-NE2 3.26Å
88E87.3Confident88.4Confident40 Ų4061.8 Ų61.819%0.18729%0.287CS..Hα-helixtrans-66.5-47.6174.6-165.8-170.5118.100111.4L84 Q86 R90 Q91 L92 R131L84-E88 PolarHBondContact O-N 3.15Å; Q86-E88 VanDerWaalsContact C-N 3.34Å; E88-R90 VanDerWaalsContact C-N 3.3Å; E88-R90 PolarHBondContact O-N 3.46Å; E88-Q91 PolarHBondContact O-N 3.44Å; E88-Q91 VanDerWaalsContact O-N 3.15Å; E88-L92 HydrophobicContact CG-CD1 4.11Å; E88-L92 VanDerWaalsContact O-CG 3.32Å; E88-L92 WeakPolarHBondContact O-CG 3.07Å; E88-L92 PolarHBondContact O-N 3.1Å; E88-R131 IonicContact OE1-NH2 3.21Å; E88-R131 PolarHBondContact OE1-NH2 2.92Å; E88-R131 IonicContact OE2-CZ 3.7Å; E88-R131 IonicContact OE2-NH1 2.66Å; E88-R131 IonicContact OE2-NH2 2.96Å; E88-R131 PolarHBondContact OE2-NH2 3.38Å
89Y89.8Confident87.5Confident63 Ų6364.9 Ų64.925%0.24730%0.3CS..Hα-helixtrans-55.6-43.6174.9174.2-108.7000112.3A85 N93 I125 A128 K129A85-Y89 WeakPolarHBondContact O-CB 3.11Å; A85-Y89 PolarHBondContact O-N 2.91Å; Y89-N93 WeakPolarHBondContact O-CB 3.4Å; Y89-N93 PolarHBondContact O-N 3.04Å; Y89-I125 HydrophobicContact CD2-CG2 4.42Å; Y89-I125 HydrophobicContact CE2-CG2 3.8Å; Y89-A128 HydrophobicContact CD2-CB 4.18Å; Y89-K129 HydrophobicContact CD2-CB 4.03Å; Y89-K129 HydrophobicContact CE2-CB 3.71Å; Y89-K129 HydrophobicContact CE2-CD 4.44Å; Y89-K129 HydrophobicContact CE2-CG 4.18Å
90R88.5Confident86.3Confident131 Ų13163.5 Ų63.549%0.49430%0.3SS..Hα-helixtrans-59.1-54.1173.2-75.4176.4-113.5176.3-8.2111.3Q86 E88 L92 N93 D94Q86-R90 WeakPolarHBondContact O-CG 3.39Å; Q86-R90 PolarHBondContact O-N 2.85Å; Q86-R90 PolarHBondContact O-NE 3.2Å; E88-R90 VanDerWaalsContact C-N 3.3Å; E88-R90 PolarHBondContact O-N 3.46Å; R90-L92 VanDerWaalsContact C-N 3.32Å; R90-L92 PolarHBondContact O-N 3.28Å; R90-N93 PolarHBondContact O-N 3.5Å; R90-N93 VanDerWaalsContact O-N 3.14Å; R90-D94 WeakPolarHBondContact O-CB 3.25Å; R90-D94 VanDerWaalsContact O-CG 3.24Å; R90-D94 PolarHBondContact O-N 3.45Å
91Q86.6Confident85Confident69 Ų6963 Ų6332%0.32230%0.303SS..Hα-helixtrans-56.4-41.8179.7-76165.994.200113.4Q87 E88 A95Q87-Q91 VanDerWaalsContact C-NE2 3.3Å; Q87-Q91 VanDerWaalsContact O-CG 3.32Å; Q87-Q91 WeakPolarHBondContact O-CG 3.49Å; Q87-Q91 PolarHBondContact O-N 3.39Å; Q87-Q91 PolarHBondContact O-NE2 3.26Å; E88-Q91 PolarHBondContact O-N 3.44Å; E88-Q91 VanDerWaalsContact O-N 3.15Å; Q91-A95 WeakPolarHBondContact O-CB 3.09Å; Q91-A95 PolarHBondContact O-N 3.3Å
92L87.2Confident83.5Confident5 Ų566.1 Ų66.13%0.02633%0.327CS..Hα-helixtrans-67-44.9176.8-67.8167.6000111.7E88 R90 D94 A95 W96 L121 E124 I125 A128E88-L92 HydrophobicContact CG-CD1 4.11Å; E88-L92 VanDerWaalsContact O-CG 3.32Å; E88-L92 WeakPolarHBondContact O-CG 3.07Å; E88-L92 PolarHBondContact O-N 3.1Å; R90-L92 VanDerWaalsContact C-N 3.32Å; R90-L92 PolarHBondContact O-N 3.28Å; L92-D94 VanDerWaalsContact C-N 3.35Å; L92-D94 PolarHBondContact O-N 2.87Å; L92-A95 PolarHBondContact O-N 3.21Å; L92-W96 WeakPolarHBondContact O-CB 3.32Å; L92-W96 PolarHBondContact O-N 3.43Å; L92-L121 HydrophobicContact CB-CD1 4.38Å; L92-L121 HydrophobicContact CD2-CD1 3.88Å; L92-E124 HydrophobicContact CD1-CB 4.05Å; L92-E124 HydrophobicContact CD2-CB 3.99Å; L92-E124 VanDerWaalsContact CD2-OE2 3.28Å; L92-E124 WeakPolarHBondContact CD2-OE2 3.28Å; L92-I125 HydrophobicContact CB-CG1 3.68Å; L92-A128 HydrophobicContact CD1-CB 3.81Å
93N88.9Confident81.7Confident35 Ų3573.2 Ų73.219%0.18736%0.359CS..Hα-helixtrans-64.5-37.7178.4178.189.5000112.4Y89 R90 W96 R97Y89-N93 WeakPolarHBondContact O-CB 3.4Å; Y89-N93 PolarHBondContact O-N 3.04Å; R90-N93 PolarHBondContact O-N 3.5Å; R90-N93 VanDerWaalsContact O-N 3.14Å; N93-W96 PolarHBondContact O-N 3.4Å; N93-R97 PolarHBondContact ND2-NH2 2.84Å; N93-R97 VanDerWaalsContact ND2-NH2 3.18Å; N93-R97 WeakPolarHBondContact O-CB 3.39Å; N93-R97 PolarHBondContact O-N 3.27Å
94D86.1Confident79.7Confident67 Ų6773.7 Ų73.736%0.35837%0.37SS..Hα-helixtrans-75-40.4179-62.4-29.8000111.1R90 L92 W96 R97 D98R90-D94 WeakPolarHBondContact O-CB 3.25Å; R90-D94 VanDerWaalsContact O-CG 3.24Å; R90-D94 PolarHBondContact O-N 3.45Å; L92-D94 VanDerWaalsContact C-N 3.35Å; L92-D94 PolarHBondContact O-N 2.87Å; D94-W96 PolarHBondContact O-N 3.05Å; D94-R97 WeakPolarHBondContact O-CB 3.41Å; D94-R97 PolarHBondContact O-N 2.78Å; D94-R97 IonicContact OD1-NE 2.64Å; D94-R97 IonicContact OD1-NH2 2.87Å; D94-D98 PolarHBondContact O-N 3.28Å
95A85.1Confident77.9Confident50 Ų5076 Ų7641%0.41339%0.389SS..Hα-helixtrans-58.8-32.3169.700000112.9Q91 L92 K99Q91-A95 WeakPolarHBondContact O-CB 3.09Å; Q91-A95 PolarHBondContact O-N 3.3Å; L92-A95 PolarHBondContact O-N 3.21Å; A95-K99 WeakPolarHBondContact O-CB 3.39Å; A95-K99 PolarHBondContact O-N 3.45Å
96W83.1Confident75.9Confident98 Ų9884.2 Ų84.237%0.37143%0.432SS..Hα-helixtrans-73.9-41.4172.6-176.890.6000112.3L92 N93 D94 D98 K99 S100 L121 I125L92-W96 WeakPolarHBondContact O-CB 3.32Å; L92-W96 PolarHBondContact O-N 3.43Å; N93-W96 PolarHBondContact O-N 3.4Å; D94-W96 PolarHBondContact O-N 3.05Å; W96-D98 PolarHBondContact O-N 2.86Å; W96-K99 WeakPolarHBondContact O-CB 3.34Å; W96-K99 PolarHBondContact O-N 2.85Å; W96-S100 PolarHBondContact O-N 3.46Å; W96-S100 PolarHBondContact O-OG 2.87Å; W96-L121 HydrophobicContact CB-CD2 3.81Å; W96-L121 HydrophobicContact CB-CG 4.21Å; W96-L121 HydrophobicContact CG-CD2 4.43Å; W96-I125 HydrophobicContact CB-CD1 3.56Å; W96-I125 HydrophobicContact CG-CD1 3.85Å
97R82.3Confident73.8Confident132 Ų13288.9 Ų88.950%0.49846%0.459SS..Hα-helixtrans-59.4-45.4174.8-173.6-169.1-54.7-76.13.3111.9N93 D94 K99 S100 T101N93-R97 PolarHBondContact ND2-NH2 2.84Å; N93-R97 VanDerWaalsContact ND2-NH2 3.18Å; N93-R97 WeakPolarHBondContact O-CB 3.39Å; N93-R97 PolarHBondContact O-N 3.27Å; D94-R97 WeakPolarHBondContact O-CB 3.41Å; D94-R97 PolarHBondContact O-N 2.78Å; D94-R97 IonicContact OD1-NE 2.64Å; D94-R97 IonicContact OD1-NH2 2.87Å; R97-K99 VanDerWaalsContact C-N 3.3Å; R97-K99 PolarHBondContact O-N 3.2Å; R97-S100 PolarHBondContact O-N 3.44Å; R97-T101 WeakPolarHBondContact O-CB 3.38Å; R97-T101 WeakPolarHBondContact O-CG2 3.5Å; R97-T101 PolarHBondContact O-N 2.93Å; R97-T101 PolarHBondContact O-OG1 3.01Å
98D80.3Confident71.6Confident99 Ų9990 Ų9053%0.52948%0.476SS..Hα-helixtrans-63.2-38.7176.5-68.5-9.7000110.8D94 W96 T101 S102D94-D98 PolarHBondContact O-N 3.28Å; W96-D98 PolarHBondContact O-N 2.86Å; D98-T101 WeakPolarHBondContact CA-OG1 3.46Å; D98-T101 PolarHBondContact O-OG1 3.1Å; D98-T101 VanDerWaalsContact O-OG1 3.12Å; D98-S102 VanDerWaalsContact O-CB 3.23Å; D98-S102 WeakPolarHBondContact O-CB 3.49Å; D98-S102 PolarHBondContact O-N 3.26Å; D98-S102 PolarHBondContact O-OG 3.5Å
99K72.8Confident69.6Low87 Ų87100.3 Ų100.338%0.37851%0.513SS..Hα-helixtrans-66.9-41.8176.4-168.161.9168.5-176.90112.7A95 W96 R97A95-K99 WeakPolarHBondContact O-CB 3.39Å; A95-K99 PolarHBondContact O-N 3.45Å; W96-K99 WeakPolarHBondContact O-CB 3.34Å; W96-K99 PolarHBondContact O-N 2.85Å; R97-K99 VanDerWaalsContact C-N 3.3Å; R97-K99 PolarHBondContact O-N 3.2Å
100S68.2Low67.2Low53 Ų53102.4 Ų102.437%0.37154%0.536SS..Hα-helixtrans-72-39.6179.1-720000112.9W96 R97 Q103W96-S100 PolarHBondContact O-N 3.46Å; W96-S100 PolarHBondContact O-OG 2.87Å; R97-S100 PolarHBondContact O-N 3.44Å; S100-Q103 PolarHBondContact O-N 3.43Å
101T64.4Low65.3Low81 Ų81102 Ų10250%0.49755%0.554SS.*Hα-helixtrans-67.9-37.517448.50000111.8R97 D98 Q103 T104R97-T101 WeakPolarHBondContact O-CB 3.38Å; R97-T101 WeakPolarHBondContact O-CG2 3.5Å; R97-T101 PolarHBondContact O-N 2.93Å; R97-T101 PolarHBondContact O-OG1 3.01Å; D98-T101 WeakPolarHBondContact CA-OG1 3.46Å; D98-T101 PolarHBondContact O-OG1 3.1Å; D98-T101 VanDerWaalsContact O-OG1 3.12Å; T101-Q103 PolarHBondContact O-N 3.24Å; T101-T104 PolarHBondContact O-N 3.43Å; T101-T104 VanDerWaalsContact O-N 3.17Å; T101-T104 PolarHBondContact O-OG1 2.94Å; T101-T104 VanDerWaalsContact O-OG1 3.06Å
102S60.7Low63.1Low79 Ų79104.5 Ų104.555%0.55258%0.579SS**THydrogen-bonded Turntrans-63-11.8175.8-62.70000114.8D98D98-S102 VanDerWaalsContact O-CB 3.23Å; D98-S102 WeakPolarHBondContact O-CB 3.49Å; D98-S102 PolarHBondContact O-N 3.26Å; D98-S102 PolarHBondContact O-OG 3.5Å
103Q54.8Low61.2Low169 Ų169108.8 Ų108.879%0.7961%0.609SS**THydrogen-bonded Turntrans-81.9-9.5175.5-72.4-156.5-15.400114.5S100 T101S100-Q103 PolarHBondContact O-N 3.43Å; T101-Q103 PolarHBondContact O-N 3.24Å
104T50Low59.5Low121 Ų121112.1 Ų112.174%0.74264%0.635SS**SBendtrans-97-11.6-178.162.50000114.4T101 L106T101-T104 PolarHBondContact O-N 3.43Å; T101-T104 VanDerWaalsContact O-N 3.17Å; T101-T104 PolarHBondContact O-OG1 2.94Å; T101-T104 VanDerWaalsContact O-OG1 3.06Å; T104-L106 PolarHBondContact O-N 2.88Å
105S49.3Very low58.2Low80 Ų80117 Ų11756%0.55965%0.653SS**  trans-93.394.9-176.557.60000112.9N107S105-N107 PolarHBondContact O-N 3.31Å
106L47.3Very low57Low174 Ų174120.1 Ų120.191%0.91166%0.655SS**  trans-68.62.2-178-90.9172000116.4T104T104-L106 PolarHBondContact O-N 2.88Å
107N48.8Very low56.8Low154 Ų154119.3 Ų119.382%0.82466%0.658SS**  trans-140.286.5-177.1-87.2-44.9000113.1S105S105-N107 PolarHBondContact O-N 3.31Å
108S42.2Very low56.7Low104 Ų104116.2 Ų116.273%0.72766%0.655SS**  trans-167.8122.3148.8-87.70000112.4S110S108-S110 PolarHBondContact O-N 3.21Å
109R46.3Very low56.8Low256 Ų256116.1 Ų116.197%0.96665%0.654SS**  trans-88.170.3171.7-74.5175.463.3-175.80.2110.7
110S38.4Very low57.5Low107 Ų107116.6 Ų116.675%0.74866%0.66SS**  trans-124.294.9177.7-66.50000110.9S108 S112S108-S110 PolarHBondContact O-N 3.21Å; S110-S112 PolarHBondContact O-N 3.42Å
111S48.9Very low58.2Low122 Ų122114.7 Ų114.785%0.85365%0.646SS**  trans-76.1114-175-54.70000112.4
112S39.7Very low59.3Low122 Ų122115.7 Ų115.785%0.85364%0.643SS**  trans-157.6140.7157.7-920000114.5S110S110-S112 PolarHBondContact O-N 3.42Å
113S48.7Very low60.6Low95 Ų95114.4 Ų114.466%0.66464%0.637SS**  trans57.458160.2-148.90000119K115S113-K115 PolarHBondContact O-N 3.37Å
114S51.3Low62.2Low105 Ų105108.3 Ų108.373%0.73461%0.609SS**  trans-82.264.9150.159.70000110.4
115K59.2Low64Low168 Ų168103.8 Ų103.873%0.7358%0.58SS**  trans-93.7-5.9-176.3-142.3-174-176.5-171.40114.5S113S113-K115 PolarHBondContact O-N 3.37Å
116Y60.5Low65.9Low117 Ų117102.9 Ų102.946%0.45958%0.577SS.*SBendtrans-134140.1-178.5-63.8-85.1000110.2
117D79.7Confident67.9Low81 Ų8199 Ų9943%0.43356%0.561SS.*  trans-74.8137172-179.2-56.9000109.7D119 I120 L121D117-D119 VanDerWaalsContact C-N 3.28Å; D117-D119 PolarHBondContact O-N 3.32Å; D117-D119 WeakPolarHBondContact OD1-CA 2.92Å; D117-D119 PolarHBondContact OD1-N 3.27Å; D117-I120 HydrophobicContact CB-CB 4.01Å; D117-I120 HydrophobicContact CB-CD1 3.8Å; D117-I120 HydrophobicContact CB-CG1 3.79Å; D117-I120 PolarHBondContact O-N 2.88Å; D117-I120 PolarHBondContact OD1-N 3.16Å; D117-L121 WeakPolarHBondContact O-CB 3.49Å; D117-L121 PolarHBondContact O-N 3.48Å
118P80.3Confident69.8Low66 Ų6691.8 Ų91.843%0.42952%0.522SS..Hα-helixtrans-64.1-26.6-178.227.8-36.4000114.3K122P118-K122 VanDerWaalsContact O-CG 3.27Å; P118-K122 WeakPolarHBondContact O-CG 3.42Å; P118-K122 PolarHBondContact O-N 3.04Å
119D82.5Confident72.1Confident97 Ų9792.1 Ų92.152%0.51951%0.511SS..Hα-helixtrans-86.4-34.2178.4-70-32.8000111.8D117 L121 K122 A123D117-D119 VanDerWaalsContact C-N 3.28Å; D117-D119 PolarHBondContact O-N 3.32Å; D117-D119 WeakPolarHBondContact OD1-CA 2.92Å; D117-D119 PolarHBondContact OD1-N 3.27Å; D119-L121 VanDerWaalsContact C-N 3.31Å; D119-L121 PolarHBondContact O-N 2.97Å; D119-K122 PolarHBondContact O-N 3.3Å; D119-K122 WeakPolarHBondContact OD1-CD 3.42Å; D119-K122 WeakPolarHBondContact OD1-CE 3.42Å; D119-K122 IonicContact OD1-NZ 3.75Å; D119-K122 PolarHBondContact OD1-NZ 3.02Å; D119-A123 PolarHBondContact O-N 3.46Å
120I85.4Confident74.1Confident97 Ų9783.6 Ų83.650%0.49749%0.49SS..Hα-helixtrans-61-42.4166.1-61-179.7000110.2D117 K122 A123 E124D117-I120 HydrophobicContact CB-CB 4.01Å; D117-I120 HydrophobicContact CB-CD1 3.8Å; D117-I120 HydrophobicContact CB-CG1 3.79Å; D117-I120 PolarHBondContact O-N 2.88Å; D117-I120 PolarHBondContact OD1-N 3.16Å; I120-K122 PolarHBondContact O-N 3.2Å; I120-A123 CarbonylContact O-C 3.59Å; I120-A123 WeakPolarHBondContact O-CA 3.48Å; I120-A123 WeakPolarHBondContact O-CB 2.97Å; I120-A123 PolarHBondContact O-N 3.32Å; I120-A123 VanDerWaalsContact O-N 3.09Å; I120-E124 PolarHBondContact O-N 2.87Å
121L84.8Confident76.5Confident14 Ų1481.2 Ų81.27%0.07347%0.465CS..Hα-helixtrans-64.8-38.2177.9-176.256.6000112.3L92 W96 D117 D119 A123 E124 I125L92-L121 HydrophobicContact CB-CD1 4.38Å; L92-L121 HydrophobicContact CD2-CD1 3.88Å; W96-L121 HydrophobicContact CB-CD2 3.81Å; W96-L121 HydrophobicContact CB-CG 4.21Å; W96-L121 HydrophobicContact CG-CD2 4.43Å; D117-L121 WeakPolarHBondContact O-CB 3.49Å; D117-L121 PolarHBondContact O-N 3.48Å; D119-L121 VanDerWaalsContact C-N 3.31Å; D119-L121 PolarHBondContact O-N 2.97Å; L121-A123 VanDerWaalsContact C-N 3.3Å; L121-A123 PolarHBondContact O-N 3.49Å; L121-E124 PolarHBondContact O-N 3.38Å; L121-I125 HydrophobicContact CD1-CD1 4.36Å; L121-I125 HydrophobicContact CD1-CG1 4.49Å; L121-I125 HydrophobicContact CG-CD1 4.13Å; L121-I125 WeakPolarHBondContact O-CB 3.23Å; L121-I125 WeakPolarHBondContact O-CD1 3.45Å; L121-I125 WeakPolarHBondContact O-CG1 3.38Å; L121-I125 PolarHBondContact O-N 2.93Å
122K87.7Confident78.6Confident101 Ų10175.9 Ų75.944%0.43943%0.427SS..Hα-helixtrans-61.2-39170.5-70.8165.6-158.1167.60111.7P118 D119 I120 I125 A126P118-K122 VanDerWaalsContact O-CG 3.27Å; P118-K122 WeakPolarHBondContact O-CG 3.42Å; P118-K122 PolarHBondContact O-N 3.04Å; D119-K122 PolarHBondContact O-N 3.3Å; D119-K122 WeakPolarHBondContact OD1-CD 3.42Å; D119-K122 WeakPolarHBondContact OD1-CE 3.42Å; D119-K122 IonicContact OD1-NZ 3.75Å; D119-K122 PolarHBondContact OD1-NZ 3.02Å; I120-K122 PolarHBondContact O-N 3.2Å; K122-I125 PolarHBondContact O-N 3.27Å; K122-A126 WeakPolarHBondContact O-CB 3.4Å; K122-A126 PolarHBondContact O-N 2.84Å
123A86.7Confident80.9Confident52 Ų5272.2 Ų72.243%0.4340%0.398SS..Hα-helixtrans-68.2-42.8176.700000112.6D119 I120 L121 I125 A126 T127D119-A123 PolarHBondContact O-N 3.46Å; I120-A123 CarbonylContact O-C 3.59Å; I120-A123 WeakPolarHBondContact O-CA 3.48Å; I120-A123 WeakPolarHBondContact O-CB 2.97Å; I120-A123 PolarHBondContact O-N 3.32Å; I120-A123 VanDerWaalsContact O-N 3.09Å; L121-A123 VanDerWaalsContact C-N 3.3Å; L121-A123 PolarHBondContact O-N 3.49Å; A123-I125 VanDerWaalsContact C-N 3.34Å; A123-I125 PolarHBondContact O-N 3.36Å; A123-A126 PolarHBondContact O-N 2.93Å; A123-T127 WeakPolarHBondContact O-CG2 3.44Å; A123-T127 PolarHBondContact O-N 2.87Å; A123-T127 PolarHBondContact O-OG1 2.87Å; A123-T127 VanDerWaalsContact O-OG1 3.08Å
124E87.9Confident82.8Confident42 Ų4273.1 Ų73.120%0.19639%0.39CS..Hα-helixtrans-58.9-43.7171.2-77.9-173.4-137.900110.8L92 I120 L121 A126 T127 A128 R320L92-E124 HydrophobicContact CD1-CB 4.05Å; L92-E124 HydrophobicContact CD2-CB 3.99Å; L92-E124 VanDerWaalsContact CD2-OE2 3.28Å; L92-E124 WeakPolarHBondContact CD2-OE2 3.28Å; I120-E124 PolarHBondContact O-N 2.87Å; L121-E124 PolarHBondContact O-N 3.38Å; E124-A126 PolarHBondContact O-N 3.47Å; E124-T127 PolarHBondContact O-N 3.3Å; E124-T127 PolarHBondContact O-OG1 3.33Å; E124-T127 VanDerWaalsContact O-OG1 3.12Å; E124-A128 WeakPolarHBondContact O-CB 3.23Å; E124-A128 PolarHBondContact O-N 2.92Å; E124-R320 IonicContact OE1-NH2 2.8Å; E124-R320 IonicContact OE2-CZ 3.86Å; E124-R320 IonicContact OE2-NH1 2.64Å; E124-R320 PolarHBondContact OE2-NH1 3.26Å; E124-R320 IonicContact OE2-NH2 2.97Å; E124-R320 PolarHBondContact OE2-NH2 3.31Å
125I87.9Confident84.6Confident25 Ų2568.5 Ų68.513%0.12836%0.357CS..Hα-helixtrans-63.2-41.7176.3-69.6166.4000111.7Y89 L92 W96 L121 K122 A123 K129Y89-I125 HydrophobicContact CD2-CG2 4.42Å; Y89-I125 HydrophobicContact CE2-CG2 3.8Å; L92-I125 HydrophobicContact CB-CG1 3.68Å; W96-I125 HydrophobicContact CB-CD1 3.56Å; W96-I125 HydrophobicContact CG-CD1 3.85Å; L121-I125 HydrophobicContact CD1-CD1 4.36Å; L121-I125 HydrophobicContact CD1-CG1 4.49Å; L121-I125 HydrophobicContact CG-CD1 4.13Å; L121-I125 WeakPolarHBondContact O-CB 3.23Å; L121-I125 WeakPolarHBondContact O-CD1 3.45Å; L121-I125 WeakPolarHBondContact O-CG1 3.38Å; L121-I125 PolarHBondContact O-N 2.93Å; K122-I125 PolarHBondContact O-N 3.27Å; A123-I125 VanDerWaalsContact C-N 3.34Å; A123-I125 PolarHBondContact O-N 3.36Å; I125-K129 WeakPolarHBondContact O-CB 3.41Å; I125-K129 PolarHBondContact O-N 2.86Å
126A89.2Confident86.1Confident61 Ų6165.1 Ų65.150%0.50434%0.342SS..Hα-helixtrans-68-43179.700000112.4K122 A123 E124 K129 S130K122-A126 WeakPolarHBondContact O-CB 3.4Å; K122-A126 PolarHBondContact O-N 2.84Å; A123-A126 PolarHBondContact O-N 2.93Å; E124-A126 PolarHBondContact O-N 3.47Å; A126-K129 PolarHBondContact O-N 3.44Å; A126-S130 WeakPolarHBondContact O-CB 3.41Å; A126-S130 PolarHBondContact O-N 2.98Å
127T89.3Confident87.3Confident94 Ų9465.9 Ų65.958%0.57734%0.344SS*.Hα-helixtrans-69-40.1176.555.70000111.6A123 E124 S130 R131A123-T127 WeakPolarHBondContact O-CG2 3.44Å; A123-T127 PolarHBondContact O-N 2.87Å; A123-T127 PolarHBondContact O-OG1 2.87Å; A123-T127 VanDerWaalsContact O-OG1 3.08Å; E124-T127 PolarHBondContact O-N 3.3Å; E124-T127 PolarHBondContact O-OG1 3.33Å; E124-T127 VanDerWaalsContact O-OG1 3.12Å; T127-S130 PolarHBondContact O-N 2.81Å; T127-R131 PolarHBondContact O-N 3.05Å
128A89.3Confident87.6Confident1 Ų164.5 Ų64.51%0.00834%0.337CS..Hα-helixtrans-61.6-45.6173.100000112.2Y89 L92 E124 S130 R131 V132Y89-A128 HydrophobicContact CD2-CB 4.18Å; L92-A128 HydrophobicContact CD1-CB 3.81Å; E124-A128 WeakPolarHBondContact O-CB 3.23Å; E124-A128 PolarHBondContact O-N 2.92Å; A128-S130 VanDerWaalsContact C-N 3.34Å; A128-S130 PolarHBondContact O-N 2.86Å; A128-R131 PolarHBondContact O-N 3.33Å; A128-V132 WeakPolarHBondContact O-CG2 3.49Å; A128-V132 PolarHBondContact O-N 3.15Å
129K90.4Very high88Confident111 Ų11162 Ų6248%0.48332%0.32SS..Hα-helixtrans-60.7-42.3174.8-169.3177179.8-178.60111.7Y89 I125 A126 V132 N133Y89-K129 HydrophobicContact CD2-CB 4.03Å; Y89-K129 HydrophobicContact CE2-CB 3.71Å; Y89-K129 HydrophobicContact CE2-CD 4.44Å; Y89-K129 HydrophobicContact CE2-CG 4.18Å; I125-K129 WeakPolarHBondContact O-CB 3.41Å; I125-K129 PolarHBondContact O-N 2.86Å; A126-K129 PolarHBondContact O-N 3.44Å; K129-V132 PolarHBondContact O-N 3.4Å; K129-N133 WeakPolarHBondContact O-CB 3.43Å; K129-N133 PolarHBondContact O-N 3.06Å
130S87.8Confident88.2Confident77 Ų7760.4 Ų60.454%0.53832%0.32SS..Hα-helixtrans-62.1-44.5176.1-1720000112A126 T127 A128 N133 K134A126-S130 WeakPolarHBondContact O-CB 3.41Å; A126-S130 PolarHBondContact O-N 2.98Å; T127-S130 PolarHBondContact O-N 2.81Å; A128-S130 VanDerWaalsContact C-N 3.34Å; A128-S130 PolarHBondContact O-N 2.86Å; S130-N133 PolarHBondContact O-N 3.34Å; S130-K134 WeakPolarHBondContact O-CB 3.24Å; S130-K134 PolarHBondContact O-N 3.3Å
131R89.5Confident88.1Confident58 Ų5858.6 Ų58.622%0.21932%0.316CS..Hα-helixtrans-62-44.5175.1177.916854.5139.3-2.9112.2A85 E88 T127 A128 K134 L135 E313A85-R131 HydrophobicContact CB-CG 4.17Å; E88-R131 IonicContact OE1-NH2 3.21Å; E88-R131 PolarHBondContact OE1-NH2 2.92Å; E88-R131 IonicContact OE2-CZ 3.7Å; E88-R131 IonicContact OE2-NH1 2.66Å; E88-R131 IonicContact OE2-NH2 2.96Å; E88-R131 PolarHBondContact OE2-NH2 3.38Å; T127-R131 PolarHBondContact O-N 3.05Å; A128-R131 PolarHBondContact O-N 3.33Å; R131-K134 PolarHBondContact O-N 2.83Å; R131-L135 HydrophobicContact CG-CD1 3.88Å; R131-L135 HydrophobicContact CG-CG 4.43Å; R131-L135 WeakPolarHBondContact O-CB 3.4Å; R131-L135 WeakPolarHBondContact O-CG 3.39Å; R131-L135 PolarHBondContact O-N 2.85Å; R131-E313 IonicContact CZ-OE1 2.68Å; R131-E313 VanDerWaalsContact NH1-CD 3.31Å; R131-E313 IonicContact NH1-OE1 3.53Å; R131-E313 PolarHBondContact NH1-OE1 3.04Å
132V91.9Very high88.3Confident10 Ų1059.2 Ų59.26%0.06132%0.318CS..Hα-helixtrans-59.5-47.1174.9168.30000111L82 A85 Q86 A128 K129 K134 L135 K136L82-V132 HydrophobicContact CD1-CG1 4.06Å; A85-V132 HydrophobicContact CB-CG2 3.87Å; A85-V132 WeakPolarHBondContact O-CG2 3.41Å; Q86-V132 HydrophobicContact CG-CG1 4.03Å; Q86-V132 HydrophobicContact CG-CG2 4.15Å; A128-V132 WeakPolarHBondContact O-CG2 3.49Å; A128-V132 PolarHBondContact O-N 3.15Å; K129-V132 PolarHBondContact O-N 3.4Å; V132-K134 PolarHBondContact O-N 3.46Å; V132-L135 PolarHBondContact O-N 2.87Å; V132-K136 WeakPolarHBondContact O-CB 3.28Å; V132-K136 WeakPolarHBondContact O-CG 3.5Å; V132-K136 PolarHBondContact O-N 2.8Å
133N87.9Confident88.3Confident44 Ų4459.5 Ų59.524%0.23532%0.32CS..Hα-helixtrans-69.4-31.4180-76.814.3000112.7K129 S130 R137K129-N133 WeakPolarHBondContact O-CB 3.43Å; K129-N133 PolarHBondContact O-N 3.06Å; S130-N133 PolarHBondContact O-N 3.34Å; N133-R137 WeakPolarHBondContact O-CG 3.22Å; N133-R137 PolarHBondContact O-N 3.04Å; N133-R137 PolarHBondContact O-NE 2.96Å
134K89.6Confident88.3Confident115 Ų11560 Ų6050%0.531%0.313SS..Hα-helixtrans-63.9-55.8169-175.5-170.4172.4-169.20110.7S130 R131 V132 K136 R137 D138S130-K134 WeakPolarHBondContact O-CB 3.24Å; S130-K134 PolarHBondContact O-N 3.3Å; R131-K134 PolarHBondContact O-N 2.83Å; V132-K134 PolarHBondContact O-N 3.46Å; K134-K136 VanDerWaalsContact C-N 3.31Å; K134-K136 PolarHBondContact O-N 2.79Å; K134-R137 PolarHBondContact O-N 2.76Å; K134-D138 WeakPolarHBondContact CE-OD2 3.2Å; K134-D138 PolarHBondContact O-N 3.47Å
135L89.6Confident88.2Confident7 Ų761.9 Ų61.94%0.03732%0.322CS..Hα-helixtrans-59.9-38.7-177.6-72.9170.3000112.3R81 L82 A85 R131 V132 D138 L139R81-L135 HydrophobicContact CB-CD1 4.33Å; L82-L135 HydrophobicContact CB-CB 4.18Å; L82-L135 HydrophobicContact CD1-CB 3.92Å; A85-L135 HydrophobicContact CB-CD1 3.97Å; R131-L135 HydrophobicContact CG-CD1 3.88Å; R131-L135 HydrophobicContact CG-CG 4.43Å; R131-L135 WeakPolarHBondContact O-CB 3.4Å; R131-L135 WeakPolarHBondContact O-CG 3.39Å; R131-L135 PolarHBondContact O-N 2.85Å; V132-L135 PolarHBondContact O-N 2.87Å; L135-D138 PolarHBondContact O-N 3.08Å; L135-L139 VanDerWaalsContact O-CB 3.29Å; L135-L139 WeakPolarHBondContact O-CB 3.45Å; L135-L139 WeakPolarHBondContact O-CD1 3.45Å; L135-L139 WeakPolarHBondContact O-CG 3.45Å; L135-L139 PolarHBondContact O-N 2.98Å
136K90.1Very high88.2Confident98 Ų9861.6 Ų61.643%0.42632%0.32SS..Hα-helixtrans-55.9-51170.2-80.3-175.9171.2-168.40112.3L82 V132 K134 A140L82-K136 HydrophobicContact CD1-CG 4.09Å; L82-K136 HydrophobicContact CD2-CG 4.17Å; V132-K136 WeakPolarHBondContact O-CB 3.28Å; V132-K136 WeakPolarHBondContact O-CG 3.5Å; V132-K136 PolarHBondContact O-N 2.8Å; K134-K136 VanDerWaalsContact C-N 3.31Å; K134-K136 PolarHBondContact O-N 2.79Å; K136-A140 WeakPolarHBondContact O-CB 3.45Å; K136-A140 PolarHBondContact O-N 2.7Å
137R84.9Confident88.2Confident133 Ų13363.1 Ų63.150%0.50232%0.317SS..Hα-helixtrans-65.5-41.8-179.7-78.1-173.5-84.794.5-8112.4N133 K134 A140 C141N133-R137 WeakPolarHBondContact O-CG 3.22Å; N133-R137 PolarHBondContact O-N 3.04Å; N133-R137 PolarHBondContact O-NE 2.96Å; K134-R137 PolarHBondContact O-N 2.76Å; R137-A140 PolarHBondContact O-N 3.44Å; R137-C141 PolarHBondContact O-N 2.85Å; R137-C141 PolarHBondContact O-SG 3.22Å
138D86Confident88Confident52 Ų5260.9 Ų60.928%0.27830%0.299SS..Hα-helixtrans-62.8-47.1177.8-681.4000110.4K134 L135 C141 M142K134-D138 WeakPolarHBondContact CE-OD2 3.2Å; K134-D138 PolarHBondContact O-N 3.47Å; L135-D138 PolarHBondContact O-N 3.08Å; D138-C141 PolarHBondContact O-N 3.42Å; D138-M142 WeakPolarHBondContact O-CB 3.47Å; D138-M142 PolarHBondContact O-N 3.01Å
139L90.3Very high88Confident12 Ų1261.8 Ų61.86%0.06330%0.302CS..Hα-helixtrans-63.6-39.3175.8-79.9163.5000113Y75 K78 E79 L82 L135 M142 K143Y75-L139 HydrophobicContact CD2-CD2 3.59Å; Y75-L139 HydrophobicContact CE2-CB 4.45Å; Y75-L139 HydrophobicContact CE2-CD2 3.53Å; Y75-L139 HydrophobicContact CG-CD2 4.24Å; K78-L139 HydrophobicContact CB-CD1 4.5Å; K78-L139 HydrophobicContact CB-CD2 3.61Å; K78-L139 HydrophobicContact CB-CG 4.02Å; E79-L139 HydrophobicContact CB-CD2 4.45Å; L82-L139 HydrophobicContact CB-CD1 3.82Å; L82-L139 HydrophobicContact CD2-CD1 3.56Å; L82-L139 HydrophobicContact CG-CD1 4.29Å; L135-L139 VanDerWaalsContact O-CB 3.29Å; L135-L139 WeakPolarHBondContact O-CB 3.45Å; L135-L139 WeakPolarHBondContact O-CD1 3.45Å; L135-L139 WeakPolarHBondContact O-CG 3.45Å; L135-L139 PolarHBondContact O-N 2.98Å; L139-M142 PolarHBondContact O-N 3.36Å; L139-K143 VanDerWaalsContact O-CB 3.3Å; L139-K143 WeakPolarHBondContact O-CB 3.37Å; L139-K143 PolarHBondContact O-N 3.37Å
140A86.5Confident88Confident64 Ų6459.4 Ų59.453%0.52929%0.293SS..Hα-helixtrans-64.3-4517700000112K136 R137 M142 Q144K136-A140 WeakPolarHBondContact O-CB 3.45Å; K136-A140 PolarHBondContact O-N 2.7Å; R137-A140 PolarHBondContact O-N 3.44Å; A140-M142 VanDerWaalsContact C-N 3.35Å; A140-Q144 PolarHBondContact O-N 3.39Å
141C83.6Confident88.1Confident60 Ų6061.4 Ų61.441%0.40529%0.294SS..Hα-helixtrans-63.2-43.4174.4-640000111.2R137 D138 Q144 E145R137-C141 PolarHBondContact O-N 2.85Å; R137-C141 PolarHBondContact O-SG 3.22Å; D138-C141 PolarHBondContact O-N 3.42Å; C141-Q144 PolarHBondContact O-N 2.83Å; C141-E145 PolarHBondContact O-N 2.92Å
142M87.4Confident88.1Confident26 Ų2658.9 Ų58.913%0.12829%0.286CS..Hα-helixtrans-67.4-41.3-178.1-172.4179.2-178.800112.9Q71 I74 Y75 K78 D138 L139 A140 Q144 E145 L146Q71-M142 HydrophobicContact CB-CE 4.31Å; Q71-M142 WeakPolarHBondContact O-CE 3.33Å; I74-M142 HydrophobicContact CB-CE 3.63Å; I74-M142 HydrophobicContact CG2-CE 3.52Å; I74-M142 HydrophobicContact CG2-SD 3.88Å; Y75-M142 HydrophobicContact CD2-CG 4.37Å; Y75-M142 HydrophobicContact CD2-SD 4.28Å; K78-M142 HydrophobicContact CD-SD 3.92Å; D138-M142 WeakPolarHBondContact O-CB 3.47Å; D138-M142 PolarHBondContact O-N 3.01Å; L139-M142 PolarHBondContact O-N 3.36Å; A140-M142 VanDerWaalsContact C-N 3.35Å; M142-Q144 VanDerWaalsContact C-N 3.27Å; M142-Q144 PolarHBondContact O-N 3.37Å; M142-E145 PolarHBondContact O-N 3.49Å; M142-L146 VanDerWaalsContact O-CB 3.24Å; M142-L146 WeakPolarHBondContact O-CB 3.44Å; M142-L146 PolarHBondContact O-N 2.86Å
143K88.9Confident88Confident108 Ų10859.8 Ų59.847%0.4729%0.289SS..Hα-helixtrans-56.7-42.6175.2-176.2172.9-179.9174.10111.2Y75 L139 Q147Y75-K143 HydrophobicContact CE2-CB 3.93Å; L139-K143 VanDerWaalsContact O-CB 3.3Å; L139-K143 WeakPolarHBondContact O-CB 3.37Å; L139-K143 PolarHBondContact O-N 3.37Å; K143-Q147 WeakPolarHBondContact O-CB 3.43Å; K143-Q147 VanDerWaalsContact O-CG 3.31Å; K143-Q147 WeakPolarHBondContact O-CG 3.45Å; K143-Q147 PolarHBondContact O-N 3.34Å
144Q86Confident88.2Confident63 Ų6362.5 Ų62.529%0.29430%0.3SS..Hα-helixtrans-68.5-43.7176.3173.4164.773.200112.7A140 C141 M142 L146 Q147 Y148 N1086A140-Q144 PolarHBondContact O-N 3.39Å; C141-Q144 PolarHBondContact O-N 2.83Å; M142-Q144 VanDerWaalsContact C-N 3.27Å; M142-Q144 PolarHBondContact O-N 3.37Å; Q144-L146 VanDerWaalsContact C-N 3.29Å; Q144-L146 PolarHBondContact O-N 2.9Å; Q144-Q147 PolarHBondContact O-N 2.89Å; Q144-Y148 HydrophobicContact CG-CD2 3.83Å; Q144-Y148 HydrophobicContact CG-CE2 3.51Å; Q144-Y148 WeakPolarHBondContact O-CD2 3.45Å; Q144-Y148 PolarHBondContact O-N 3.3Å; Q144-Y148 VanDerWaalsContact O-N 3.08Å; Q144-N1086 VanDerWaalsContact CD-ND2 3.31Å; Q144-N1086 PolarHBondContact NE2-ND2 3.4Å; Q144-N1086 PolarHBondContact OE1-ND2 3.44Å
145E85.6Confident88.3Confident80 Ų8058.3 Ų58.337%0.37428%0.284SS..Hα-helixtrans-61.2-39.2175.7170.1159.1-154.900112C141 M142 K149 A1080C141-E145 PolarHBondContact O-N 2.92Å; M142-E145 PolarHBondContact O-N 3.49Å; E145-K149 HydrophobicContact CG-CD 4.14Å; E145-K149 WeakPolarHBondContact O-CG 3.31Å; E145-K149 PolarHBondContact O-N 3.08Å; E145-K149 VanDerWaalsContact O-N 3.15Å; E145-K149 VanDerWaalsContact OE1-CE 3.28Å; E145-K149 WeakPolarHBondContact OE1-CE 3.42Å; E145-K149 IonicContact OE1-NZ 3.24Å; E145-K149 PolarHBondContact OE1-NZ 3.28Å; E145-A1080 HydrophobicContact CB-CB 4.32Å; E145-A1080 HydrophobicContact CG-CB 3.84Å
146L89.3Confident88.3Confident19 Ų1958 Ų5810%0.09928%0.282CS..Hα-helixtrans-66.3-48.2177-171.3145.5000111.3K72 M142 Q144 Y148 K149 E150K72-L146 HydrophobicContact CG-CD1 3.87Å; M142-L146 VanDerWaalsContact O-CB 3.24Å; M142-L146 WeakPolarHBondContact O-CB 3.44Å; M142-L146 PolarHBondContact O-N 2.86Å; Q144-L146 VanDerWaalsContact C-N 3.29Å; Q144-L146 PolarHBondContact O-N 2.9Å; L146-Y148 VanDerWaalsContact C-N 3.33Å; L146-Y148 PolarHBondContact O-N 3.04Å; L146-K149 PolarHBondContact O-N 2.89Å; L146-E150 HydrophobicContact CD2-CG 4.11Å; L146-E150 WeakPolarHBondContact CD2-OE2 3.44Å; L146-E150 WeakPolarHBondContact O-CG 3.42Å; L146-E150 PolarHBondContact O-N 2.8Å
147Q88Confident88.3Confident93 Ų9355.2 Ų55.244%0.43527%0.272SS..Hα-helixtrans-56.9-41.9174.9-77.4177.2-30.200112.9K143 Q144 K149 E150 Q151K143-Q147 WeakPolarHBondContact O-CB 3.43Å; K143-Q147 VanDerWaalsContact O-CG 3.31Å; K143-Q147 WeakPolarHBondContact O-CG 3.45Å; K143-Q147 PolarHBondContact O-N 3.34Å; Q144-Q147 PolarHBondContact O-N 2.89Å; Q147-K149 VanDerWaalsContact C-N 3.33Å; Q147-K149 PolarHBondContact O-N 2.85Å; Q147-E150 PolarHBondContact O-N 2.89Å; Q147-Q151 WeakPolarHBondContact O-CB 3.2Å; Q147-Q151 VanDerWaalsContact O-CG 3.28Å; Q147-Q151 WeakPolarHBondContact O-CG 3.27Å; Q147-Q151 PolarHBondContact O-N 3.09Å
148Y86.3Confident88.6Confident48 Ų4852.9 Ų52.919%0.18827%0.267CS..Hα-helixtrans-66.3-33.8176.1-78.2-54.2000113Q144 L146 G152 A1080 T1082Q144-Y148 HydrophobicContact CG-CD2 3.83Å; Q144-Y148 HydrophobicContact CG-CE2 3.51Å; Q144-Y148 WeakPolarHBondContact O-CD2 3.45Å; Q144-Y148 PolarHBondContact O-N 3.3Å; Q144-Y148 VanDerWaalsContact O-N 3.08Å; L146-Y148 VanDerWaalsContact C-N 3.33Å; L146-Y148 PolarHBondContact O-N 3.04Å; Y148-G152 PolarHBondContact O-N 3.22Å; Y148-A1080 HydrophobicContact CD2-CB 4.45Å; Y148-T1082 HydrophobicContact CE2-CG2 4.28Å
149K88.6Confident88.7Confident19 Ų1950.4 Ų50.48%0.08325%0.254CS..Hα-helixtrans-72.6-41.1175.8-74.4165.3-175.3171.40111.7L68 E145 L146 Q147 G152 F153 L294 T1078 A1080L68-K149 HydrophobicContact CD2-CB 3.63Å; L68-K149 HydrophobicContact CG-CB 4.39Å; E145-K149 HydrophobicContact CG-CD 4.14Å; E145-K149 WeakPolarHBondContact O-CG 3.31Å; E145-K149 PolarHBondContact O-N 3.08Å; E145-K149 VanDerWaalsContact O-N 3.15Å; E145-K149 VanDerWaalsContact OE1-CE 3.28Å; E145-K149 WeakPolarHBondContact OE1-CE 3.42Å; E145-K149 IonicContact OE1-NZ 3.24Å; E145-K149 PolarHBondContact OE1-NZ 3.28Å; L146-K149 PolarHBondContact O-N 2.89Å; Q147-K149 VanDerWaalsContact C-N 3.33Å; Q147-K149 PolarHBondContact O-N 2.85Å; K149-G152 PolarHBondContact O-N 2.94Å; K149-F153 WeakPolarHBondContact O-CB 3.34Å; K149-F153 PolarHBondContact O-N 3.04Å; K149-L294 VanDerWaalsContact NZ-CD1 3.35Å; K149-T1078 VanDerWaalsContact CG-O 3.22Å; K149-T1078 WeakPolarHBondContact CG-O 3.18Å; K149-A1080 HydrophobicContact CG-CB 4.49Å
150E90.5Very high88.5Confident61 Ų6151.5 Ų51.529%0.28526%0.259SS..Hα-helixtrans-60.3-49.5173.6-71-178.5131.700111.2L68 K72 L146 Q147 G152 F153 E154L68-E150 HydrophobicContact CD2-CG 3.95Å; K72-E150 WeakPolarHBondContact CE-OE1 3.49Å; K72-E150 IonicContact NZ-OE1 3.73Å; K72-E150 PolarHBondContact NZ-OE1 2.95Å; L146-E150 HydrophobicContact CD2-CG 4.11Å; L146-E150 WeakPolarHBondContact CD2-OE2 3.44Å; L146-E150 WeakPolarHBondContact O-CG 3.42Å; L146-E150 PolarHBondContact O-N 2.8Å; Q147-E150 PolarHBondContact O-N 2.89Å; E150-G152 VanDerWaalsContact C-N 3.34Å; E150-G152 PolarHBondContact O-N 2.77Å; E150-F153 PolarHBondContact O-N 2.8Å; E150-F153 VanDerWaalsContact O-N 3.15Å; E150-E154 WeakPolarHBondContact O-CB 3.43Å; E150-E154 PolarHBondContact O-N 3.4Å
151Q90.1Very high88.5Confident119 Ų11953.4 Ų53.456%0.55626%0.257SS*.Hα-helixtrans-59.6-43.1176-72.5171.70.500112.3Q147 F153 T155Q147-Q151 WeakPolarHBondContact O-CB 3.2Å; Q147-Q151 VanDerWaalsContact O-CG 3.28Å; Q147-Q151 WeakPolarHBondContact O-CG 3.27Å; Q147-Q151 PolarHBondContact O-N 3.09Å; Q151-F153 VanDerWaalsContact C-N 3.31Å; Q151-F153 PolarHBondContact O-N 3.24Å; Q151-T155 WeakPolarHBondContact O-CB 3.32Å; Q151-T155 PolarHBondContact O-N 3.04Å; Q151-T155 PolarHBondContact O-OG1 3.27Å
152G89.3Confident88.5Confident5 Ų553.6 Ų53.65%0.05225%0.251CS..Hα-helixtrans-66.3-31.5176.400000113.6Y148 K149 E150 L156Y148-G152 PolarHBondContact O-N 3.22Å; K149-G152 PolarHBondContact O-N 2.94Å; E150-G152 VanDerWaalsContact C-N 3.34Å; E150-G152 PolarHBondContact O-N 2.77Å; G152-L156 WeakPolarHBondContact O-CG 3.44Å; G152-L156 PolarHBondContact O-N 2.96Å
153F90.6Very high88Confident30 Ų3053.1 Ų53.113%0.13225%0.25CC..Hα-helixtrans-76.4-44.4176.9177.8-103.3000112L61 A64 R65 L68 K149 E150 Q151 T155 L156 I157L61-F153 HydrophobicContact CB-CE2 4.37Å; L61-F153 HydrophobicContact CD2-CD2 3.77Å; L61-F153 HydrophobicContact CD2-CE2 3.52Å; L61-F153 HydrophobicContact CD2-CZ 4.24Å; L61-F153 WeakPolarHBondContact O-CE2 3.46Å; A64-F153 HydrophobicContact CB-CD2 3.98Å; A64-F153 HydrophobicContact CB-CE2 4.21Å; R65-F153 HydrophobicContact CB-CE2 3.98Å; R65-F153 HydrophobicContact CB-CZ 3.76Å; R65-F153 HydrophobicContact CG-CZ 4.26Å; L68-F153 HydrophobicContact CD1-CB 3.57Å; L68-F153 HydrophobicContact CD1-CD1 3.84Å; L68-F153 HydrophobicContact CD1-CD2 4.06Å; L68-F153 HydrophobicContact CD1-CG 3.56Å; K149-F153 WeakPolarHBondContact O-CB 3.34Å; K149-F153 PolarHBondContact O-N 3.04Å; E150-F153 PolarHBondContact O-N 2.8Å; E150-F153 VanDerWaalsContact O-N 3.15Å; Q151-F153 VanDerWaalsContact C-N 3.31Å; Q151-F153 PolarHBondContact O-N 3.24Å; F153-T155 VanDerWaalsContact C-N 3.31Å; F153-T155 PolarHBondContact O-N 3.49Å; F153-L156 WeakPolarHBondContact O-CA 3.39Å; F153-L156 WeakPolarHBondContact O-CB 3.4Å; F153-L156 PolarHBondContact O-N 2.96Å; F153-I157 HydrophobicContact CD1-CD1 3.95Å; F153-I157 HydrophobicContact CE1-CD1 3.45Å; F153-I157 VanDerWaalsContact CE1-CD1 3.45Å; F153-I157 HydrophobicContact CE1-CG1 4.37Å; F153-I157 HydrophobicContact CZ-CD1 3.88Å; F153-I157 HydrophobicContact CZ-CG1 4.49Å; F153-I157 PolarHBondContact O-N 3.46Å
154E91.7Very high87.5Confident100 Ų10051.3 Ų51.347%0.46725%0.251SS..Hα-helixtrans-62.7-39.8174.6-161.559.9-133.400111E150 L156 I157 E158E150-E154 WeakPolarHBondContact O-CB 3.43Å; E150-E154 PolarHBondContact O-N 3.4Å; E154-L156 VanDerWaalsContact C-N 3.26Å; E154-L156 PolarHBondContact O-N 2.96Å; E154-I157 WeakPolarHBondContact O-CA 3.32Å; E154-I157 WeakPolarHBondContact O-CB 3.44Å; E154-I157 PolarHBondContact O-N 2.62Å; E154-E158 PolarHBondContact O-N 3.48Å
155T90.8Very high87Confident27 Ų2754.5 Ų54.517%0.16627%0.27CS..Hα-helixtrans-57-40171.6-55.40000111.3Q151 F153 I159 Q977 L1077Q151-T155 WeakPolarHBondContact O-CB 3.32Å; Q151-T155 PolarHBondContact O-N 3.04Å; Q151-T155 PolarHBondContact O-OG1 3.27Å; F153-T155 VanDerWaalsContact C-N 3.31Å; F153-T155 PolarHBondContact O-N 3.49Å; T155-I159 HydrophobicContact CG2-CD1 4.14Å; T155-I159 WeakPolarHBondContact O-CD1 3.44Å; T155-I159 WeakPolarHBondContact O-CG1 3.23Å; T155-I159 PolarHBondContact O-N 2.93Å; T155-Q977 HydrophobicContact CG2-CB 3.96Å; T155-Q977 HydrophobicContact CG2-CG 4.11Å; T155-L1077 HydrophobicContact CG2-CD1 4.39Å
156L90.3Very high86.2Confident0 Ų052.8 Ų52.80%027%0.267CS..Hα-helixtrans-71.1-31.1176.5-72.3166.2000112.7L57 Y60 L61 G152 F153 E154 I159 N160 L974 I1074 L1077 T1078L57-L156 HydrophobicContact CD1-CB 4.41Å; L57-L156 HydrophobicContact CD1-CD2 3.83Å; Y60-L156 HydrophobicContact CD1-CD1 3.93Å; Y60-L156 HydrophobicContact CE1-CD1 3.66Å; L61-L156 HydrophobicContact CD2-CB 3.74Å; G152-L156 WeakPolarHBondContact O-CG 3.44Å; G152-L156 PolarHBondContact O-N 2.96Å; F153-L156 WeakPolarHBondContact O-CA 3.39Å; F153-L156 WeakPolarHBondContact O-CB 3.4Å; F153-L156 PolarHBondContact O-N 2.96Å; E154-L156 VanDerWaalsContact C-N 3.26Å; E154-L156 PolarHBondContact O-N 2.96Å; L156-I159 HydrophobicContact CD2-CD1 4.46Å; L156-N160 WeakPolarHBondContact O-CB 3.32Å; L156-N160 PolarHBondContact O-N 2.99Å; L156-L974 HydrophobicContact CD2-CD2 3.83Å; L156-I1074 HydrophobicContact CD1-CG2 3.93Å; L156-I1074 HydrophobicContact CD2-CB 4.34Å; L156-I1074 HydrophobicContact CD2-CG1 4.16Å; L156-I1074 HydrophobicContact CD2-CG2 3.95Å; L156-L1077 HydrophobicContact CD2-CD1 3.75Å; L156-L1077 HydrophobicContact CG-CD1 4.09Å; L156-T1078 HydrophobicContact CD1-CG2 3.83Å
157I90.3Very high84.7Confident41 Ų4157.8 Ų57.821%0.2130%0.3CS..Hα-helixtrans-66.7-48.4171.5-70.3176.3000110.5L61 F153 E154 I159 N160 Q161L61-I157 HydrophobicContact CD2-CG1 3.95Å; F153-I157 HydrophobicContact CD1-CD1 3.95Å; F153-I157 HydrophobicContact CE1-CD1 3.45Å; F153-I157 VanDerWaalsContact CE1-CD1 3.45Å; F153-I157 HydrophobicContact CE1-CG1 4.37Å; F153-I157 HydrophobicContact CZ-CD1 3.88Å; F153-I157 HydrophobicContact CZ-CG1 4.49Å; F153-I157 PolarHBondContact O-N 3.46Å; E154-I157 WeakPolarHBondContact O-CA 3.32Å; E154-I157 WeakPolarHBondContact O-CB 3.44Å; E154-I157 PolarHBondContact O-N 2.62Å; I157-I159 VanDerWaalsContact C-N 3.27Å; I157-I159 PolarHBondContact O-N 2.67Å; I157-N160 PolarHBondContact O-N 3.12Å; I157-N160 VanDerWaalsContact O-N 3.16Å; I157-Q161 HydrophobicContact CG2-CG 4.4Å; I157-Q161 WeakPolarHBondContact O-CG 3.39Å; I157-Q161 PolarHBondContact O-N 3.47Å
158E89.8Confident83.1Confident84 Ų8458.7 Ų58.739%0.39332%0.317SS..Hα-helixtrans-53.9-45174-78-171.5-150.900111.7E154 Q161 K162E154-E158 PolarHBondContact O-N 3.48Å; E158-Q161 PolarHBondContact O-N 3.47Å; E158-K162 WeakPolarHBondContact O-CB 3.42Å; E158-K162 WeakPolarHBondContact O-CD 3.44Å; E158-K162 VanDerWaalsContact O-CG 3.23Å; E158-K162 WeakPolarHBondContact O-CG 3.44Å; E158-K162 PolarHBondContact O-N 2.76Å; E158-K162 IonicContact OE2-NZ 3.4Å; E158-K162 PolarHBondContact OE2-NZ 2.74Å
159I88.1Confident82Confident0 Ų057.1 Ų57.10%032%0.316CS..Hα-helixtrans-61.6-47.9178.5-68.8170.4000110.5L57 T155 L156 I157 Q161 K162 V163 L970 E973 L974 Q977 L1077L57-I159 HydrophobicContact CD2-CG2 4.32Å; T155-I159 HydrophobicContact CG2-CD1 4.14Å; T155-I159 WeakPolarHBondContact O-CD1 3.44Å; T155-I159 WeakPolarHBondContact O-CG1 3.23Å; T155-I159 PolarHBondContact O-N 2.93Å; L156-I159 HydrophobicContact CD2-CD1 4.46Å; I157-I159 VanDerWaalsContact C-N 3.27Å; I157-I159 PolarHBondContact O-N 2.67Å; I159-Q161 VanDerWaalsContact C-N 3.32Å; I159-Q161 PolarHBondContact O-N 3.44Å; I159-K162 PolarHBondContact O-N 2.85Å; I159-V163 WeakPolarHBondContact O-CG2 3.45Å; I159-V163 PolarHBondContact O-N 3.36Å; I159-L970 HydrophobicContact CG2-CD1 3.31Å; I159-E973 HydrophobicContact CB-CG 4.45Å; I159-E973 HydrophobicContact CD1-CG 4.41Å; I159-E973 HydrophobicContact CG1-CG 3.71Å; I159-E973 HydrophobicContact CG2-CG 4.34Å; I159-L974 HydrophobicContact CD1-CD2 3.81Å; I159-L974 HydrophobicContact CD1-CG 4.36Å; I159-L974 HydrophobicContact CG2-CD2 4.43Å; I159-L974 HydrophobicContact CG2-CG 4.26Å; I159-Q977 HydrophobicContact CD1-CB 4.17Å; I159-Q977 HydrophobicContact CD1-CG 3.99Å; I159-Q977 HydrophobicContact CG1-CG 4.32Å; I159-L1077 HydrophobicContact CD1-CD1 4.14Å
160N87.6Confident81Confident34 Ų3459.2 Ų59.218%0.18232%0.323CS..Hα-helixtrans-60.5-41.1178-171.787.5000111.6L57 L61 L156 I157 S164L57-N160 HydrophobicContact CD2-CB 3.77Å; L57-N160 HydrophobicContact CG-CB 4.38Å; L61-N160 HydrophobicContact CD1-CB 4.08Å; L156-N160 WeakPolarHBondContact O-CB 3.32Å; L156-N160 PolarHBondContact O-N 2.99Å; I157-N160 PolarHBondContact O-N 3.12Å; I157-N160 VanDerWaalsContact O-N 3.16Å; N160-S164 WeakPolarHBondContact O-CB 3.29Å; N160-S164 PolarHBondContact O-N 3.37Å; N160-S164 PolarHBondContact O-OG 2.91Å
161Q86.2Confident80.2Confident104 Ų10463.4 Ų63.449%0.48634%0.34SS..Hα-helixtrans-65.4-48.6175-69.9176.410.700112.1I157 E158 I159 V163 S164 N165I157-Q161 HydrophobicContact CG2-CG 4.4Å; I157-Q161 WeakPolarHBondContact O-CG 3.39Å; I157-Q161 PolarHBondContact O-N 3.47Å; E158-Q161 PolarHBondContact O-N 3.47Å; I159-Q161 VanDerWaalsContact C-N 3.32Å; I159-Q161 PolarHBondContact O-N 3.44Å; Q161-V163 VanDerWaalsContact C-N 3.29Å; Q161-V163 PolarHBondContact O-N 3.23Å; Q161-S164 PolarHBondContact O-N 3.28Å; Q161-N165 WeakPolarHBondContact O-CB 3.42Å; Q161-N165 PolarHBondContact O-N 3.48Å; Q161-N165 PolarHBondContact O-ND2 2.89Å; Q161-N165 PolarHBondContact O-OD1 3.01Å
162K83.8Confident79.5Confident65 Ų6562.7 Ų62.728%0.28334%0.34SS..Hα-helixtrans-56.1-42.3178.6-75.1162.3-174158.70112.1E158 I159 S166 E973E158-K162 WeakPolarHBondContact O-CB 3.42Å; E158-K162 WeakPolarHBondContact O-CD 3.44Å; E158-K162 VanDerWaalsContact O-CG 3.23Å; E158-K162 WeakPolarHBondContact O-CG 3.44Å; E158-K162 PolarHBondContact O-N 2.76Å; E158-K162 IonicContact OE2-NZ 3.4Å; E158-K162 PolarHBondContact OE2-NZ 2.74Å; I159-K162 PolarHBondContact O-N 2.85Å; K162-S166 VanDerWaalsContact O-CB 3.27Å; K162-S166 WeakPolarHBondContact O-CB 3.19Å; K162-S166 PolarHBondContact O-N 3.22Å; K162-S166 PolarHBondContact O-OG 3.15Å; K162-E973 HydrophobicContact CD-CG 4.32Å; K162-E973 WeakPolarHBondContact CD-OE1 3.49Å; K162-E973 IonicContact NZ-OE1 2.64Å; K162-E973 PolarHBondContact NZ-OE1 3.06Å
163V76.9Confident78.9Confident15 Ų1569.8 Ų69.89%0.09137%0.372CS..Hα-helixtrans-70.8-45.7177.3173.60000111.3E54 I159 Q161 N165 S166 L970E54-V163 HydrophobicContact CG-CG1 4.32Å; I159-V163 WeakPolarHBondContact O-CG2 3.45Å; I159-V163 PolarHBondContact O-N 3.36Å; Q161-V163 VanDerWaalsContact C-N 3.29Å; Q161-V163 PolarHBondContact O-N 3.23Å; V163-N165 PolarHBondContact O-N 3.33Å; V163-S166 CarbonylContact O-C 3.56Å; V163-S166 PolarHBondContact O-N 2.87Å; V163-L970 HydrophobicContact CG1-CB 4.5Å; V163-L970 HydrophobicContact CG2-CB 3.95Å; V163-L970 HydrophobicContact CG2-CD1 3.87Å; V163-L970 HydrophobicContact CG2-CG 4.39Å
164S77.7Confident78.4Confident70 Ų7071.5 Ų71.549%0.4938%0.383SS..Hα-helixtrans-57.3-36.2175.8-56.40000112.6N160 Q161 S166N160-S164 WeakPolarHBondContact O-CB 3.29Å; N160-S164 PolarHBondContact O-N 3.37Å; N160-S164 PolarHBondContact O-OG 2.91Å; Q161-S164 PolarHBondContact O-N 3.28Å; S164-S166 VanDerWaalsContact C-N 3.3Å; S164-S166 PolarHBondContact O-N 3.06Å
165N76.3Confident77.8Confident130 Ų13066.9 Ų66.970%0.69536%0.361SS*.THydrogen-bonded Turntrans-81.4-4.9178.6-64.7-11000113.6Q161 V163 P167Q161-N165 WeakPolarHBondContact O-CB 3.42Å; Q161-N165 PolarHBondContact O-N 3.48Å; Q161-N165 PolarHBondContact O-ND2 2.89Å; Q161-N165 PolarHBondContact O-OD1 3.01Å; V163-N165 PolarHBondContact O-N 3.33Å; N165-P167 WeakPolarHBondContact O-CD 3.19Å
166S68.3Low77.4Confident45 Ų4570.6 Ų70.632%0.31538%0.377SS..  trans-123.860.4-174.4-54.50000112.3K162 V163 S164 S168 G169K162-S166 VanDerWaalsContact O-CB 3.27Å; K162-S166 WeakPolarHBondContact O-CB 3.19Å; K162-S166 PolarHBondContact O-N 3.22Å; K162-S166 PolarHBondContact O-OG 3.15Å; V163-S166 CarbonylContact O-C 3.56Å; V163-S166 PolarHBondContact O-N 2.87Å; S164-S166 VanDerWaalsContact C-N 3.3Å; S164-S166 PolarHBondContact O-N 3.06Å; S166-S168 PolarHBondContact O-N 3.24Å; S166-G169 PolarHBondContact O-N 2.89Å
167P56.8Low77.2Confident123 Ų12373.5 Ų73.580%0.79940%0.401SS*.THydrogen-bonded Turntrans-63.7-15-172.126.2-36.2000114.9N165N165-P167 WeakPolarHBondContact O-CD 3.19Å
168S55.7Low76.9Confident113 Ų11372.2 Ų72.279%0.7939%0.394SS*.THydrogen-bonded Turntrans-90.3-0.5172.762.80000114.3S166S166-S168 PolarHBondContact O-N 3.24Å
169G62.7Low76.6Confident15 Ų1569.7 Ų69.716%0.15538%0.383CS..  trans69.1180-168.900000114.2S166S166-G169 PolarHBondContact O-N 2.89Å
170Y67.4Low76.5Confident63 Ų6374.1 Ų74.125%0.24741%0.407CS..  trans-71.5140.5175-76.5-54.3000111.4D174 I178 S969 L972 E973Y170-D174 HydrophobicContact CD1-CB 4.07Å; Y170-D174 HydrophobicContact CG-CB 4.48Å; Y170-I178 HydrophobicContact CD1-CD1 4.43Å; Y170-I178 HydrophobicContact CD2-CD1 3.93Å; Y170-I178 HydrophobicContact CE1-CD1 4.23Å; Y170-I178 HydrophobicContact CE2-CD1 3.7Å; Y170-I178 HydrophobicContact CG-CD1 4.31Å; Y170-S969 WeakPolarHBondContact CE2-O 3.44Å; Y170-L972 HydrophobicContact CD2-CB 4.08Å; Y170-L972 HydrophobicContact CD2-CD1 3.89Å; Y170-L972 HydrophobicContact CE2-CB 4.16Å; Y170-E973 HydrophobicContact CE2-CB 4.34Å; Y170-E973 PolarHBondContact OH-OE2 3.22Å
171K74.6Confident76.8Confident148 Ų14875.9 Ų75.964%0.64341%0.414SS*.  trans-69.9158.8173.7-56.1169.8-178170.50109.7Q173 D174 A175K171-Q173 PolarHBondContact O-N 2.91Å; K171-Q173 VanDerWaalsContact O-N 3.09Å; K171-D174 WeakPolarHBondContact CB-OD2 3.26Å; K171-D174 WeakPolarHBondContact CG-OD2 3.29Å; K171-D174 PolarHBondContact N-OD2 2.73Å; K171-D174 PolarHBondContact O-N 2.99Å; K171-A175 PolarHBondContact O-N 2.9Å
172L74.3Confident76.9Confident105 Ų10571.1 Ų71.155%0.5539%0.392SS..Hα-helixtrans-50-38.5177.7-173.275.8000112.8I12 Q176I12-L172 HydrophobicContact CG2-CD1 3.82Å; L172-Q176 WeakPolarHBondContact O-CB 3.43Å; L172-Q176 WeakPolarHBondContact O-CG 3.47Å; L172-Q176 PolarHBondContact O-N 3.41Å
173Q77.1Confident77.2Confident153 Ų15373.4 Ų73.472%0.71540%0.399SS*.Hα-helixtrans-70.8-45.7179.7-65.5176.8-5.900112K171 Q176 A177K171-Q173 PolarHBondContact O-N 2.91Å; K171-Q173 VanDerWaalsContact O-N 3.09Å; Q173-Q176 PolarHBondContact O-N 3.46Å; Q173-A177 PolarHBondContact O-N 3.36Å
174D79.8Confident77.9Confident67 Ų6776.5 Ų76.536%0.35842%0.421SS..Hα-helixtrans-62.3-45.6178.2-44.9-35.5000110.4Y170 K171 Q176 A177 I178Y170-D174 HydrophobicContact CD1-CB 4.07Å; Y170-D174 HydrophobicContact CG-CB 4.48Å; K171-D174 WeakPolarHBondContact CB-OD2 3.26Å; K171-D174 WeakPolarHBondContact CG-OD2 3.29Å; K171-D174 PolarHBondContact N-OD2 2.73Å; K171-D174 PolarHBondContact O-N 2.99Å; D174-Q176 PolarHBondContact O-N 3.06Å; D174-A177 WeakPolarHBondContact O-CB 3.37Å; D174-A177 PolarHBondContact O-N 2.79Å; D174-I178 WeakPolarHBondContact O-CG1 3.3Å; D174-I178 PolarHBondContact O-N 2.62Å
175A79.9Confident78.6Confident3 Ų373.5 Ų73.53%0.02540%0.4CS..Hα-helixtrans-58-45.3173.900000111.8I12 K171 A177 I178 L179 L972I12-A175 HydrophobicContact CG2-CB 4.49Å; K171-A175 PolarHBondContact O-N 2.9Å; A175-A177 PolarHBondContact O-N 3.05Å; A175-I178 PolarHBondContact O-N 3.15Å; A175-L179 WeakPolarHBondContact O-CB 3.36Å; A175-L179 VanDerWaalsContact O-CG 3.26Å; A175-L179 WeakPolarHBondContact O-CG 3.22Å; A175-L179 PolarHBondContact O-N 3.28Å; A175-L972 HydrophobicContact CB-CD1 3.61Å
176Q81.4Confident79.3Confident104 Ų10473.2 Ų73.249%0.48639%0.389SS..Hα-helixtrans-64.5-36.6176.4-75.5173.217.100112.8L172 Q173 D174 L179 N180L172-Q176 WeakPolarHBondContact O-CB 3.43Å; L172-Q176 WeakPolarHBondContact O-CG 3.47Å; L172-Q176 PolarHBondContact O-N 3.41Å; Q173-Q176 PolarHBondContact O-N 3.46Å; D174-Q176 PolarHBondContact O-N 3.06Å; Q176-L179 PolarHBondContact O-N 2.95Å; Q176-N180 VanDerWaalsContact O-CG 3.3Å; Q176-N180 PolarHBondContact O-N 3.21Å; Q176-N180 PolarHBondContact O-ND2 3.07Å; Q176-N180 VanDerWaalsContact O-ND2 3.14Å
177A86.3Confident80.4Confident61 Ų6176.2 Ų76.250%0.50440%0.401SS..Hα-helixtrans-62.9-49.517400000111.3Q173 D174 A175 L179 N180 E181Q173-A177 PolarHBondContact O-N 3.36Å; D174-A177 WeakPolarHBondContact O-CB 3.37Å; D174-A177 PolarHBondContact O-N 2.79Å; A175-A177 PolarHBondContact O-N 3.05Å; A177-L179 VanDerWaalsContact C-N 3.32Å; A177-L179 PolarHBondContact O-N 3.44Å; A177-N180 PolarHBondContact O-N 3.48Å; A177-N180 VanDerWaalsContact O-N 3.09Å; A177-E181 PolarHBondContact O-N 3.38Å
178I84.8Confident82.1Confident15 Ų1572 Ų728%0.07738%0.377CS..Hα-helixtrans-56.7-44.4175.8-66.9167.9000111.1Y170 D174 A175 N180 E181 V182 L972 L976Y170-I178 HydrophobicContact CD1-CD1 4.43Å; Y170-I178 HydrophobicContact CD2-CD1 3.93Å; Y170-I178 HydrophobicContact CE1-CD1 4.23Å; Y170-I178 HydrophobicContact CE2-CD1 3.7Å; Y170-I178 HydrophobicContact CG-CD1 4.31Å; D174-I178 WeakPolarHBondContact O-CG1 3.3Å; D174-I178 PolarHBondContact O-N 2.62Å; A175-I178 PolarHBondContact O-N 3.15Å; I178-N180 VanDerWaalsContact C-N 3.3Å; I178-N180 PolarHBondContact O-N 2.62Å; I178-E181 PolarHBondContact O-N 3.03Å; I178-V182 HydrophobicContact CG2-CG2 4.35Å; I178-V182 WeakPolarHBondContact O-CB 3.29Å; I178-V182 WeakPolarHBondContact O-CG2 3.45Å; I178-V182 PolarHBondContact O-N 2.92Å; I178-L972 HydrophobicContact CB-CD2 4.39Å; I178-L972 HydrophobicContact CD1-CB 4.31Å; I178-L972 HydrophobicContact CG2-CB 4.26Å; I178-L972 HydrophobicContact CG2-CD2 3.92Å; I178-L976 HydrophobicContact CG1-CD2 4.23Å; I178-L976 HydrophobicContact CG2-CB 4.05Å; I178-L976 HydrophobicContact CG2-CD1 4.44Å; I178-L976 HydrophobicContact CG2-CD2 4.14Å; I178-L976 HydrophobicContact CG2-CG 4.45Å
179L82.6Confident83.8Confident30 Ų3066.8 Ų66.816%0.15734%0.34CS..Hα-helixtrans-66.6-29.1178.5-69.7-178.1000113.6A175 Q176 A177 R183 L965 L972A175-L179 WeakPolarHBondContact O-CB 3.36Å; A175-L179 VanDerWaalsContact O-CG 3.26Å; A175-L179 WeakPolarHBondContact O-CG 3.22Å; A175-L179 PolarHBondContact O-N 3.28Å; Q176-L179 PolarHBondContact O-N 2.95Å; A177-L179 VanDerWaalsContact C-N 3.32Å; A177-L179 PolarHBondContact O-N 3.44Å; L179-R183 WeakPolarHBondContact O-CB 3.33Å; L179-R183 PolarHBondContact O-N 2.95Å; L179-L965 HydrophobicContact CD1-CD1 4.31Å; L179-L965 HydrophobicContact CD2-CD1 4.17Å; L179-L965 HydrophobicContact CD2-CD2 3.58Å; L179-L965 HydrophobicContact CD2-CG 4.45Å; L179-L972 HydrophobicContact CD2-CD2 3.79Å; L179-L972 HydrophobicContact CG-CD2 4.04Å
180N87.3Confident85Confident94 Ų9467.3 Ų67.350%0.50335%0.345SS..Hα-helixtrans-77.2-38173.7-71.7-31.3000111.8Q176 A177 I178 R183 S184Q176-N180 VanDerWaalsContact O-CG 3.3Å; Q176-N180 PolarHBondContact O-N 3.21Å; Q176-N180 PolarHBondContact O-ND2 3.07Å; Q176-N180 VanDerWaalsContact O-ND2 3.14Å; A177-N180 PolarHBondContact O-N 3.48Å; A177-N180 VanDerWaalsContact O-N 3.09Å; I178-N180 VanDerWaalsContact C-N 3.3Å; I178-N180 PolarHBondContact O-N 2.62Å; N180-R183 WeakPolarHBondContact O-CB 3.48Å; N180-R183 PolarHBondContact O-N 2.85Å; N180-S184 PolarHBondContact O-N 2.87Å
181E92.1Very high86.2Confident71 Ų7167.6 Ų67.633%0.33236%0.357SS..Hα-helixtrans-64.2-49.1172.9-160.8-167.7141.800111.2A177 I178 R183 S184 I185 L976 R980A177-E181 PolarHBondContact O-N 3.38Å; I178-E181 PolarHBondContact O-N 3.03Å; E181-R183 PolarHBondContact O-N 3.2Å; E181-R183 VanDerWaalsContact O-N 3.14Å; E181-S184 WeakPolarHBondContact O-CB 3.35Å; E181-S184 PolarHBondContact O-N 3.45Å; E181-I185 HydrophobicContact CG-CD1 3.88Å; E181-I185 HydrophobicContact CG-CG1 4.35Å; E181-I185 VanDerWaalsContact O-CG1 3.31Å; E181-I185 WeakPolarHBondContact O-CG1 3.41Å; E181-I185 PolarHBondContact O-N 3.3Å; E181-L976 HydrophobicContact CB-CD1 4.14Å; E181-L976 HydrophobicContact CG-CD1 4.2Å; E181-R980 IonicContact OE1-CZ 3.71Å; E181-R980 VanDerWaalsContact OE1-CZ 3.24Å; E181-R980 IonicContact OE1-NE 3.13Å; E181-R980 PolarHBondContact OE1-NE 2.98Å; E181-R980 IonicContact OE1-NH2 3.68Å; E181-R980 PolarHBondContact OE1-NH2 2.83Å; E181-R980 IonicContact OE2-CZ 2.78Å; E181-R980 IonicContact OE2-NH2 2.84Å; E181-R980 PolarHBondContact OE2-NH2 3.39Å
182V89.4Confident86.9Confident3 Ų360.9 Ų60.92%0.01833%0.329CS..Hα-helixtrans-55.6-33175.1167.50000112.1I178 R186 L976I178-V182 HydrophobicContact CG2-CG2 4.35Å; I178-V182 WeakPolarHBondContact O-CB 3.29Å; I178-V182 WeakPolarHBondContact O-CG2 3.45Å; I178-V182 PolarHBondContact O-N 2.92Å; V182-R186 VanDerWaalsContact O-CB 3.22Å; V182-R186 WeakPolarHBondContact O-CB 3.34Å; V182-R186 PolarHBondContact O-N 3.43Å; V182-L976 HydrophobicContact CG2-CB 4.17Å; V182-L976 HydrophobicContact CG2-CD1 3.83Å
183R89Confident87.6Confident114 Ų11459.6 Ų59.643%0.4332%0.32SS..Hα-helixtrans-70.6-49.3174.1-167.9-169.5-48.3-124.42.1111.7L179 N180 E181 I185 R186 D187L179-R183 WeakPolarHBondContact O-CB 3.33Å; L179-R183 PolarHBondContact O-N 2.95Å; N180-R183 WeakPolarHBondContact O-CB 3.48Å; N180-R183 PolarHBondContact O-N 2.85Å; E181-R183 PolarHBondContact O-N 3.2Å; E181-R183 VanDerWaalsContact O-N 3.14Å; R183-I185 VanDerWaalsContact C-N 3.33Å; R183-I185 PolarHBondContact O-N 2.96Å; R183-R186 WeakPolarHBondContact O-CB 3.48Å; R183-R186 PolarHBondContact O-N 3.23Å; R183-R186 VanDerWaalsContact O-N 3.11Å; R183-D187 PolarHBondContact O-N 3.48Å
184S93.6Very high88.1Confident79 Ų7958.5 Ų58.555%0.55231%0.313SS*.Hα-helixtrans-56.9-46.1176.4-174.50000111.7N180 E181 R186 D187 A188N180-S184 PolarHBondContact O-N 2.87Å; E181-S184 WeakPolarHBondContact O-CB 3.35Å; E181-S184 PolarHBondContact O-N 3.45Å; S184-R186 PolarHBondContact O-N 3.04Å; S184-D187 PolarHBondContact O-N 2.89Å; S184-A188 WeakPolarHBondContact O-CB 3.4Å; S184-A188 PolarHBondContact O-N 3.49Å
185I92.1Very high88.7Confident8 Ų858 Ų584%0.04131%0.309CS..Hα-helixtrans-61.7-41.5175.3-64.2165.9000111.2E181 R183 A188 I189 L976 S979 R980 Q983E181-I185 HydrophobicContact CG-CD1 3.88Å; E181-I185 HydrophobicContact CG-CG1 4.35Å; E181-I185 VanDerWaalsContact O-CG1 3.31Å; E181-I185 WeakPolarHBondContact O-CG1 3.41Å; E181-I185 PolarHBondContact O-N 3.3Å; R183-I185 VanDerWaalsContact C-N 3.33Å; R183-I185 PolarHBondContact O-N 2.96Å; I185-A188 PolarHBondContact O-N 3.31Å; I185-I189 HydrophobicContact CG2-CD1 3.73Å; I185-I189 HydrophobicContact CG2-CG1 4.32Å; I185-I189 WeakPolarHBondContact O-CB 3.38Å; I185-I189 VanDerWaalsContact O-CG1 3.26Å; I185-I189 WeakPolarHBondContact O-CG1 3.46Å; I185-I189 PolarHBondContact O-N 3.46Å; I185-L976 HydrophobicContact CD1-CD1 4.15Å; I185-S979 WeakPolarHBondContact CG2-O 3.22Å; I185-R980 HydrophobicContact CD1-CG 3.7Å; I185-Q983 HydrophobicContact CG2-CB 3.97Å
186R90.4Very high89.1Confident123 Ų12360 Ų6046%0.46432%0.317SS..Hα-helixtrans-63.5-40.6177.3-173.3-176.4-58-160.21.8112.2V182 R183 S184 G190V182-R186 VanDerWaalsContact O-CB 3.22Å; V182-R186 WeakPolarHBondContact O-CB 3.34Å; V182-R186 PolarHBondContact O-N 3.43Å; R183-R186 WeakPolarHBondContact O-CB 3.48Å; R183-R186 PolarHBondContact O-N 3.23Å; R183-R186 VanDerWaalsContact O-N 3.11Å; S184-R186 PolarHBondContact O-N 3.04Å; R186-G190 PolarHBondContact O-N 2.99Å
187D90.8Very high89.3Confident109 Ų10959.6 Ų59.658%0.58332%0.315SS*.Hα-helixtrans-71.6-37.6176.6-69.2-34.6000111.5R183 S184 G190 S191R183-D187 PolarHBondContact O-N 3.48Å; S184-D187 PolarHBondContact O-N 2.89Å; D187-G190 CarbonylContact O-C 3.38Å; D187-G190 PolarHBondContact O-N 2.85Å; D187-S191 PolarHBondContact O-N 2.69Å
188A93.1Very high89.4Confident34 Ų3461.3 Ų61.328%0.28131%0.312SS..Hα-helixtrans-61.2-48.2171.600000111.8S184 I185 G190 S191 G192S184-A188 WeakPolarHBondContact O-CB 3.4Å; S184-A188 PolarHBondContact O-N 3.49Å; I185-A188 PolarHBondContact O-N 3.31Å; A188-G190 VanDerWaalsContact C-N 3.33Å; A188-G190 PolarHBondContact O-N 2.97Å; A188-S191 PolarHBondContact O-N 2.89Å; A188-S191 PolarHBondContact O-OG 3.49Å; A188-G192 PolarHBondContact O-N 3.03Å
189I90.4Very high89.7Confident4 Ų461 Ų612%0.02131%0.311CS..Hα-helixtrans-57.3-46.1171.9-71.2165.5000110.5I185 S191 G192 E193 R982 Q983 L986I185-I189 HydrophobicContact CG2-CD1 3.73Å; I185-I189 HydrophobicContact CG2-CG1 4.32Å; I185-I189 WeakPolarHBondContact O-CB 3.38Å; I185-I189 VanDerWaalsContact O-CG1 3.26Å; I185-I189 WeakPolarHBondContact O-CG1 3.46Å; I185-I189 PolarHBondContact O-N 3.46Å; I189-S191 PolarHBondContact O-N 3.05Å; I189-S191 VanDerWaalsContact O-N 3.1Å; I189-G192 PolarHBondContact O-N 3.41Å; I189-G192 VanDerWaalsContact O-N 3.15Å; I189-E193 HydrophobicContact CG2-CG 4.08Å; I189-E193 WeakPolarHBondContact O-CG 3.44Å; I189-E193 PolarHBondContact O-N 2.78Å; I189-R982 HydrophobicContact CD1-CB 4.11Å; I189-R982 HydrophobicContact CD1-CG 3.98Å; I189-Q983 HydrophobicContact CD1-CB 4.19Å; I189-Q983 HydrophobicContact CG1-CB 4.03Å; I189-Q983 HydrophobicContact CG1-CG 4.42Å; I189-L986 HydrophobicContact CB-CD2 4.28Å; I189-L986 HydrophobicContact CG1-CD2 4.35Å; I189-L986 HydrophobicContact CG2-CD2 4.02Å
190G89.3Confident89.8Confident25 Ų2559.8 Ų59.826%0.25830%0.304SS..Hα-helixtrans-65-9.5176.100000115.1R186 D187 A188 K194R186-G190 PolarHBondContact O-N 2.99Å; D187-G190 CarbonylContact O-C 3.38Å; D187-G190 PolarHBondContact O-N 2.85Å; A188-G190 VanDerWaalsContact C-N 3.33Å; A188-G190 PolarHBondContact O-N 2.97Å; G190-K194 WeakPolarHBondContact O-CD 3.45Å; G190-K194 WeakPolarHBondContact O-CE 3.29Å; G190-K194 PolarHBondContact O-NZ 3.27Å
191S91.4Very high89.7Confident70 Ų7059.4 Ų59.449%0.4930%0.3SS..Hα-helixtrans-94.2-46.7167.175.80000111.4D187 A188 I189 E193 K194 E195D187-S191 PolarHBondContact O-N 2.69Å; A188-S191 PolarHBondContact O-N 2.89Å; A188-S191 PolarHBondContact O-OG 3.49Å; I189-S191 PolarHBondContact O-N 3.05Å; I189-S191 VanDerWaalsContact O-N 3.1Å; S191-E193 VanDerWaalsContact C-N 3.33Å; S191-E193 PolarHBondContact O-N 2.87Å; S191-K194 WeakPolarHBondContact O-CB 3.45Å; S191-K194 PolarHBondContact O-N 2.71Å; S191-E195 PolarHBondContact O-N 3.42Å
192G90.1Very high89.5Confident6 Ų660 Ų606%0.06230%0.301CS..Hα-helixtrans-63.1-32.2177.800000114.2A188 I189 K194 E195 K196A188-G192 PolarHBondContact O-N 3.03Å; I189-G192 PolarHBondContact O-N 3.41Å; I189-G192 VanDerWaalsContact O-N 3.15Å; G192-K194 VanDerWaalsContact C-N 3.3Å; G192-K194 PolarHBondContact O-N 3.05Å; G192-E195 PolarHBondContact O-N 2.84Å; G192-K196 WeakPolarHBondContact O-CB 3.12Å; G192-K196 PolarHBondContact O-N 3.03Å
193E88.1Confident89.5Confident78 Ų7859.9 Ų59.936%0.36430%0.3SS..Hα-helixtrans-69.5-28.1174.5-70.1-174.513600112.2I189 S191 Q197 R982 L986I189-E193 HydrophobicContact CG2-CG 4.08Å; I189-E193 WeakPolarHBondContact O-CG 3.44Å; I189-E193 PolarHBondContact O-N 2.78Å; S191-E193 VanDerWaalsContact C-N 3.33Å; S191-E193 PolarHBondContact O-N 2.87Å; E193-Q197 VanDerWaalsContact O-CG 3.31Å; E193-Q197 WeakPolarHBondContact O-CG 3.24Å; E193-Q197 PolarHBondContact O-N 2.68Å; E193-Q197 VanDerWaalsContact O-N 3.11Å; E193-R982 IonicContact OE1-CZ 3.91Å; E193-R982 IonicContact OE1-NH2 2.94Å; E193-R982 PolarHBondContact OE1-NH2 3.47Å; E193-R982 IonicContact OE2-NH2 3.07Å; E193-R982 PolarHBondContact OE2-NH2 2.94Å; E193-L986 HydrophobicContact CG-CD1 4.25Å; E193-L986 HydrophobicContact CG-CD2 3.84Å
194K88.5Confident89.2Confident130 Ų13054.7 Ų54.757%0.56528%0.282SS*.Hα-helixtrans-73.2-43.6170.5-61169.3-174.1131.60110.8G190 S191 G192 K196 Q197 E198G190-K194 WeakPolarHBondContact O-CD 3.45Å; G190-K194 WeakPolarHBondContact O-CE 3.29Å; G190-K194 PolarHBondContact O-NZ 3.27Å; S191-K194 WeakPolarHBondContact O-CB 3.45Å; S191-K194 PolarHBondContact O-N 2.71Å; G192-K194 VanDerWaalsContact C-N 3.3Å; G192-K194 PolarHBondContact O-N 3.05Å; K194-K196 VanDerWaalsContact C-N 3.28Å; K194-K196 PolarHBondContact O-N 3.31Å; K194-Q197 PolarHBondContact O-N 3.04Å; K194-E198 PolarHBondContact O-N 3Å
195E91.4Very high88.8Confident57 Ų5755.6 Ų55.627%0.26628%0.284SS..Hα-helixtrans-60.2-40.3174.6-164.2-162.915100111.1S191 G192 E198 L199 L990 R994S191-E195 PolarHBondContact O-N 3.42Å; G192-E195 PolarHBondContact O-N 2.84Å; E195-E198 PolarHBondContact O-N 3.07Å; E195-L199 HydrophobicContact CG-CD1 4.17Å; E195-L199 HydrophobicContact CG-CG 4.42Å; E195-L199 WeakPolarHBondContact O-CB 3.27Å; E195-L199 WeakPolarHBondContact O-CG 3.47Å; E195-L199 PolarHBondContact O-N 2.97Å; E195-L990 HydrophobicContact CB-CD2 3.93Å; E195-L990 HydrophobicContact CG-CD2 4.07Å; E195-R994 IonicContact OE1-CZ 3.89Å; E195-R994 IonicContact OE1-NE 2.76Å; E195-R994 PolarHBondContact OE1-NE 2.91Å; E195-R994 IonicContact OE1-NH2 2.87Å; E195-R994 PolarHBondContact OE1-NH2 2.74Å; E195-R994 IonicContact OE2-CZ 3.52Å; E195-R994 IonicContact OE2-NH2 2.81Å; E195-R994 PolarHBondContact OE2-NH2 3.4Å
196K88.5Confident88.4Confident45 Ų4555.6 Ų55.620%0.19628%0.284CS..Hα-helixtrans-60-46.5174.3178.5170.5177.4175.60111.4G192 K194 E198 L199 M200 L986 E989 L990 L993 S1083G192-K196 WeakPolarHBondContact O-CB 3.12Å; G192-K196 PolarHBondContact O-N 3.03Å; K194-K196 VanDerWaalsContact C-N 3.28Å; K194-K196 PolarHBondContact O-N 3.31Å; K196-E198 PolarHBondContact O-N 2.87Å; K196-L199 PolarHBondContact O-N 3.47Å; K196-M200 WeakPolarHBondContact O-CB 3.21Å; K196-M200 WeakPolarHBondContact O-CG 3.28Å; K196-M200 PolarHBondContact O-N 3.38Å; K196-L986 HydrophobicContact CB-CD1 4.43Å; K196-L986 HydrophobicContact CD-CD1 4.03Å; K196-E989 IonicContact NZ-OE1 3.65Å; K196-E989 IonicContact NZ-OE2 2.71Å; K196-E989 PolarHBondContact NZ-OE2 2.92Å; K196-L990 HydrophobicContact CB-CD2 3.91Å; K196-L993 HydrophobicContact CB-CD1 4.47Å; K196-L993 HydrophobicContact CG-CD1 3.83Å; K196-S1083 PolarHBondContact NZ-OG 3.42Å
197Q86.3Confident88Confident95 Ų9551.3 Ų51.344%0.44427%0.268SS..Hα-helixtrans-61.1-42174.9-73.3171.39.400112.1E193 K194 Q201E193-Q197 VanDerWaalsContact O-CG 3.31Å; E193-Q197 WeakPolarHBondContact O-CG 3.24Å; E193-Q197 PolarHBondContact O-N 2.68Å; E193-Q197 VanDerWaalsContact O-N 3.11Å; K194-Q197 PolarHBondContact O-N 3.04Å; Q197-Q201 WeakPolarHBondContact O-CB 3.47Å; Q197-Q201 PolarHBondContact O-N 3.05Å
198E88.8Confident87.4Confident98 Ų9849.9 Ų49.946%0.45826%0.261SS..Hα-helixtrans-64.9-42175.3-79.5-169.6-142.600113.2K194 E195 K196 Q201 K202K194-E198 PolarHBondContact O-N 3Å; E195-E198 PolarHBondContact O-N 3.07Å; K196-E198 PolarHBondContact O-N 2.87Å; E198-Q201 PolarHBondContact O-N 2.95Å; E198-K202 WeakPolarHBondContact O-CB 3.44Å; E198-K202 VanDerWaalsContact O-CD 3.27Å; E198-K202 WeakPolarHBondContact O-CD 3.41Å; E198-K202 WeakPolarHBondContact O-CG 3.36Å; E198-K202 PolarHBondContact O-N 3.15Å; E198-K202 IonicContact OE2-NZ 3.04Å; E198-K202 PolarHBondContact OE2-NZ 3.32Å
199L89.5Confident86.3Confident9 Ų949.7 Ų49.75%0.04726%0.262CS..Hα-helixtrans-66.8-42.7177.7-73.8170.9000111E195 K196 Q201 K202 L203 L990 L993 R994 K997E195-L199 HydrophobicContact CG-CD1 4.17Å; E195-L199 HydrophobicContact CG-CG 4.42Å; E195-L199 WeakPolarHBondContact O-CB 3.27Å; E195-L199 WeakPolarHBondContact O-CG 3.47Å; E195-L199 PolarHBondContact O-N 2.97Å; K196-L199 PolarHBondContact O-N 3.47Å; L199-Q201 VanDerWaalsContact C-N 3.34Å; L199-Q201 PolarHBondContact O-N 2.84Å; L199-K202 PolarHBondContact O-N 2.6Å; L199-L203 WeakPolarHBondContact O-CB 3.22Å; L199-L203 VanDerWaalsContact O-CG 3.28Å; L199-L203 WeakPolarHBondContact O-CG 3.36Å; L199-L203 PolarHBondContact O-N 3.18Å; L199-L990 HydrophobicContact CD1-CD2 3.79Å; L199-L993 HydrophobicContact CB-CB 4.12Å; L199-L993 HydrophobicContact CB-CD1 4.29Å; L199-L993 HydrophobicContact CD1-CB 3.83Å; L199-R994 HydrophobicContact CD1-CG 3.88Å; L199-R994 HydrophobicContact CD2-CG 4.41Å; L199-K997 HydrophobicContact CD2-CD 3.85Å
200M86.1Confident85.5Confident3 Ų350.3 Ų50.32%0.01527%0.265CS..Hα-helixtrans-59.2-44.2172.6-68.6-68.8-80.900111.2K196 K202 L203 A204 L993 L1024 Q1027 A1028K196-M200 WeakPolarHBondContact O-CB 3.21Å; K196-M200 WeakPolarHBondContact O-CG 3.28Å; K196-M200 PolarHBondContact O-N 3.38Å; M200-K202 PolarHBondContact O-N 2.73Å; M200-L203 PolarHBondContact O-N 3.42Å; M200-A204 PolarHBondContact O-N 2.86Å; M200-L993 HydrophobicContact CG-CD1 4.49Å; M200-L993 HydrophobicContact SD-CD2 3.77Å; M200-L1024 HydrophobicContact CE-CD1 3.91Å; M200-L1024 HydrophobicContact CE-CG 4.4Å; M200-L1024 HydrophobicContact SD-CD1 4.01Å; M200-L1024 HydrophobicContact SD-CG 4.36Å; M200-Q1027 HydrophobicContact CE-CB 4.32Å; M200-Q1027 HydrophobicContact CE-CG 4.24Å; M200-A1028 HydrophobicContact CB-CB 4.38Å; M200-A1028 HydrophobicContact CE-CB 3.81Å; M200-A1028 HydrophobicContact SD-CB 4.26Å
201Q85.3Confident84.2Confident87 Ų8755.6 Ų55.641%0.40728%0.277SS..Hα-helixtrans-63.2-41175.3-169.5-179.77.900112.4Q197 E198 L199 A204 V205Q197-Q201 WeakPolarHBondContact O-CB 3.47Å; Q197-Q201 PolarHBondContact O-N 3.05Å; E198-Q201 PolarHBondContact O-N 2.95Å; L199-Q201 VanDerWaalsContact C-N 3.34Å; L199-Q201 PolarHBondContact O-N 2.84Å; Q201-A204 PolarHBondContact O-N 3.15Å; Q201-V205 WeakPolarHBondContact O-CG2 3.46Å; Q201-V205 PolarHBondContact O-N 3.43Å
202K88.3Confident82.1Confident83 Ų8358.6 Ų58.636%0.36129%0.287SS..Hα-helixtrans-65.1-38.5176.5-70157.8-164.3170.10111.3E198 L199 M200 V205 L206E198-K202 WeakPolarHBondContact O-CB 3.44Å; E198-K202 VanDerWaalsContact O-CD 3.27Å; E198-K202 WeakPolarHBondContact O-CD 3.41Å; E198-K202 WeakPolarHBondContact O-CG 3.36Å; E198-K202 PolarHBondContact O-N 3.15Å; E198-K202 IonicContact OE2-NZ 3.04Å; E198-K202 PolarHBondContact OE2-NZ 3.32Å; L199-K202 PolarHBondContact O-N 2.6Å; M200-K202 PolarHBondContact O-N 2.73Å; K202-V205 PolarHBondContact O-N 3.07Å; K202-L206 WeakPolarHBondContact O-CB 3.39Å; K202-L206 VanDerWaalsContact O-CG 3.29Å; K202-L206 WeakPolarHBondContact O-CG 3.44Å; K202-L206 PolarHBondContact O-N 3.09Å
203L87.6Confident79.7Confident1 Ų163.5 Ų63.51%0.00531%0.312CS..Hα-helixtrans-67.1-39175.5-73.7168000112.9L199 M200 L206 K207 L993 L996 K997 L1000 L1025L199-L203 WeakPolarHBondContact O-CB 3.22Å; L199-L203 VanDerWaalsContact O-CG 3.28Å; L199-L203 WeakPolarHBondContact O-CG 3.36Å; L199-L203 PolarHBondContact O-N 3.18Å; M200-L203 PolarHBondContact O-N 3.42Å; L203-L206 PolarHBondContact O-N 2.87Å; L203-K207 WeakPolarHBondContact O-CB 3.32Å; L203-K207 PolarHBondContact O-N 3.05Å; L203-L993 HydrophobicContact CD1-CD2 3.44Å; L203-L993 VanDerWaalsContact CD1-CD2 3.44Å; L203-L996 HydrophobicContact CD1-CD2 4.06Å; L203-L996 HydrophobicContact CD2-CD2 4.21Å; L203-L996 HydrophobicContact CD2-CG 3.98Å; L203-K997 HydrophobicContact CD2-CB 4.06Å; L203-L1000 HydrophobicContact CD2-CD1 3.77Å; L203-L1025 HydrophobicContact CB-CD2 4.27Å
204A84.1Confident77.2Confident5 Ų565.7 Ų65.74%0.04134%0.336CS..Hα-helixtrans-60-49.1173.400000111.3M200 Q201 L206 K207 D208 A1028M200-A204 PolarHBondContact O-N 2.86Å; Q201-A204 PolarHBondContact O-N 3.15Å; A204-L206 VanDerWaalsContact C-N 3.31Å; A204-L206 PolarHBondContact O-N 2.96Å; A204-K207 WeakPolarHBondContact O-CB 3.36Å; A204-K207 PolarHBondContact O-N 3.38Å; A204-K207 VanDerWaalsContact O-N 3.14Å; A204-D208 PolarHBondContact O-N 2.98Å; A204-D208 VanDerWaalsContact O-N 3.09Å; A204-A1028 HydrophobicContact CB-CB 4.27Å
205V85.6Confident74.9Confident97 Ų9763.7 Ų63.759%0.58835%0.352SS*.Hα-helixtrans-63.5-34.6177174.90000112.3Q201 K202 G209Q201-V205 WeakPolarHBondContact O-CG2 3.46Å; Q201-V205 PolarHBondContact O-N 3.43Å; K202-V205 PolarHBondContact O-N 3.07Å; V205-G209 PolarHBondContact O-N 3.18Å
206L82.8Confident72.1Confident8 Ų866.8 Ų66.84%0.04238%0.379CS..Hα-helixtrans-66.7-42.8172.9-75.7166.5000111.8K202 L203 A204 D208 G209 F210 K997 E1001K202-L206 WeakPolarHBondContact O-CB 3.39Å; K202-L206 VanDerWaalsContact O-CG 3.29Å; K202-L206 WeakPolarHBondContact O-CG 3.44Å; K202-L206 PolarHBondContact O-N 3.09Å; L203-L206 PolarHBondContact O-N 2.87Å; A204-L206 VanDerWaalsContact C-N 3.31Å; A204-L206 PolarHBondContact O-N 2.96Å; L206-D208 PolarHBondContact O-N 3.21Å; L206-G209 WeakPolarHBondContact O-CA 3.22Å; L206-G209 PolarHBondContact O-N 2.9Å; L206-G209 VanDerWaalsContact O-N 3.08Å; L206-F210 WeakPolarHBondContact O-CD2 3.36Å; L206-K997 HydrophobicContact CD1-CG 3.84Å; L206-E1001 HydrophobicContact CD1-CG 3.83Å; L206-E1001 HydrophobicContact CD2-CG 3.63Å; L206-E1001 HydrophobicContact CG-CG 4.41Å
207K81.7Confident69.7Low33 Ų3373.2 Ų73.214%0.14341%0.41CS..Hα-helixtrans-58.2-44.9177.2-169.3-162.4-175.5-179.40111.9L203 A204 G209 F210 L1025 E1029L203-K207 WeakPolarHBondContact O-CB 3.32Å; L203-K207 PolarHBondContact O-N 3.05Å; A204-K207 WeakPolarHBondContact O-CB 3.36Å; A204-K207 PolarHBondContact O-N 3.38Å; A204-K207 VanDerWaalsContact O-N 3.14Å; K207-G209 PolarHBondContact O-N 2.78Å; K207-F210 PolarHBondContact O-N 3.15Å; K207-L1025 HydrophobicContact CD-CB 4.22Å; K207-E1029 HydrophobicContact CD-CG 4.12Å; K207-E1029 WeakPolarHBondContact CD-OE1 3.33Å; K207-E1029 WeakPolarHBondContact CE-OE1 3.46Å; K207-E1029 IonicContact NZ-OE1 2.62Å; K207-E1029 PolarHBondContact NZ-OE1 3.28Å; K207-E1029 IonicContact NZ-OE2 2.73Å; K207-E1029 PolarHBondContact NZ-OE2 3.2Å
208D77.9Confident67.3Low79 Ų7977.7 Ų77.742%0.42243%0.431SS..Hα-helixtrans-64.2-26.1177.6-70.5-37.4000112.7A204 L206 F210 R211A204-D208 PolarHBondContact O-N 2.98Å; A204-D208 VanDerWaalsContact O-N 3.09Å; L206-D208 PolarHBondContact O-N 3.21Å; D208-F210 PolarHBondContact O-N 2.88Å; D208-R211 PolarHBondContact O-N 3.26Å; D208-R211 VanDerWaalsContact O-N 3.15Å; D208-R211 IonicContact OD1-CZ 2.67Å; D208-R211 IonicContact OD1-NH1 3.27Å; D208-R211 PolarHBondContact OD1-NH1 3.14Å
209G71.8Confident64.6Low30 Ų3082.1 Ų82.131%0.30945%0.452SS..Hα-helixtrans-61.1-25.2169.700000114.4V205 L206 K207V205-G209 PolarHBondContact O-N 3.18Å; L206-G209 WeakPolarHBondContact O-CA 3.22Å; L206-G209 PolarHBondContact O-N 2.9Å; L206-G209 VanDerWaalsContact O-N 3.08Å; K207-G209 PolarHBondContact O-N 2.78Å
210F73.6Confident62.1Low18 Ų1889.3 Ų89.38%0.07949%0.49CS..THydrogen-bonded Turntrans-9317.6176-60.9-82.8000113.4L206 K207 D208 L1000 A1003 R1004 Q1008 R1009 E1010 L1011L206-F210 WeakPolarHBondContact O-CD2 3.36Å; K207-F210 PolarHBondContact O-N 3.15Å; D208-F210 PolarHBondContact O-N 2.88Å; F210-L1000 HydrophobicContact CE2-CB 4.3Å; F210-L1000 HydrophobicContact CE2-CD2 3.98Å; F210-L1000 HydrophobicContact CZ-CD2 4.25Å; F210-L1000 WeakPolarHBondContact CZ-O 3.49Å; F210-A1003 HydrophobicContact CE1-CB 4.41Å; F210-A1003 HydrophobicContact CZ-CB 4.24Å; F210-R1004 HydrophobicContact CE1-CB 4.17Å; F210-R1004 HydrophobicContact CZ-CB 3.85Å; F210-Q1008 WeakPolarHBondContact CD1-O 3.33Å; F210-Q1008 WeakPolarHBondContact CE1-O 3.5Å; F210-R1009 CarbonylContact C-O 3.55Å; F210-R1009 WeakPolarHBondContact CA-O 3.35Å; F210-E1010 VanDerWaalsContact CD1-O 3.23Å; F210-E1010 WeakPolarHBondContact CD1-O 3.39Å; F210-L1011 HydrophobicContact CD2-CD1 3.99Å; F210-L1011 HydrophobicContact CE2-CD1 4.35Å; F210-L1011 HydrophobicContact CG-CD1 4.41Å
211R60.5Low59.6Low135 Ų135101.3 Ų101.351%0.50954%0.535SS..THydrogen-bonded Turntrans-103.12.2175.4-72.6-177.7158.7131.1-3.3114.2D208 N213 E1029D208-R211 PolarHBondContact O-N 3.26Å; D208-R211 VanDerWaalsContact O-N 3.15Å; D208-R211 IonicContact OD1-CZ 2.67Å; D208-R211 IonicContact OD1-NH1 3.27Å; D208-R211 PolarHBondContact OD1-NH1 3.14Å; R211-N213 VanDerWaalsContact C-N 3.27Å; R211-N213 PolarHBondContact O-N 3Å; R211-E1029 IonicContact CZ-OE1 2.75Å; R211-E1029 IonicContact NH1-OE1 2.86Å; R211-E1029 PolarHBondContact NH1-OE1 2.95Å; R211-E1029 IonicContact NH2-OE1 3.9Å; R211-E1029 PolarHBondContact NH2-OE1 3.31Å
212L47.8Very low56.9Low134 Ų134101.2 Ų101.270%0.70256%0.557SS**  trans-85.255.4-175.4-74.9164.7000113.7
213N39.6Very low54Low109 Ų109102.6 Ų102.658%0.58358%0.577SS**  trans-169.187.8156.1-106.36.3000111.6R211 R1009R211-N213 VanDerWaalsContact C-N 3.27Å; R211-N213 PolarHBondContact O-N 3Å; N213-R1009 WeakPolarHBondContact ND2-CD 3.44Å; N213-R1009 PolarHBondContact ND2-NH1 3.11Å; N213-R1009 PolarHBondContact OD1-NH1 2.92Å
214S36.5Very low51Low124 Ų124108 Ų10887%0.86762%0.615SS**  trans-153.566.4162.3-78.30000108.7S216S214-S216 PolarHBondContact O-N 2.93Å
215G38.9Very low48.9Very low87 Ų87113.9 Ų113.990%0.89765%0.653SS**  trans-81113.9-174.500000112.7
216S33.2Very low46.2Very low122 Ų122113.8 Ų113.885%0.85366%0.657SS**  trans-141.8152.2155.2-167.80000109.7S214S214-S216 PolarHBondContact O-N 2.93Å
217Q38.4Very low43.6Very low181 Ų181121.1 Ų121.185%0.84670%0.695SS**  trans-91.7112.3-166.1-63.4173.9-14.600112.6
218Q36.2Very low41.1Very low188 Ų188124 Ų12488%0.87972%0.72SS**  trans-162.694.1150.5-146.289.958.700111.4
219E32.4Very low38.8Very low192 Ų192127.8 Ų127.890%0.89774%0.74SS**  trans179.461.5149.2-103.1173-15100111.2
220L37Very low36.6Very low160 Ų160131.3 Ų131.384%0.83876%0.76SS**  trans-88.1155.3142.8-87.5158000107.4
221W33.8Very low34.4Very low254 Ų254138.8 Ų138.896%0.96280%0.795SS**  trans78.2109.2-169.9-48.1105.1000114.6
222G28.5Very low32.8Very low85 Ų85138.8 Ų138.888%0.87681%0.81SS**  trans1754.5178.400000117.7
223S26.8Very low31.8Very low112 Ų112138 Ų13878%0.78382%0.815SS**  trans-100.2133.7-176.6-63.20000113.6
224S24.9Very low31.3Very low114 Ų114140.3 Ų140.380%0.79783%0.826SS**  trans72.4163.3158.3-55.60000117.7
225P38.6Very low31.3Very low130 Ų130139.7 Ų139.784%0.84482%0.82SS**  cis-128.4-168.5-1627.7-4.8000113.4
226S28.7Very low30.7Very low95 Ų95146.4 Ų146.466%0.66482%0.818SS**  trans-101.2157.5176.959.70000114.9
227L29.1Very low30.4Very low161 Ų161147.8 Ų147.884%0.84382%0.815SS**  trans80.7134.1149.5-74.7163.2000122.4
228S29.9Very low29.9Very low95 Ų95149 Ų14966%0.66481%0.813SS**  trans101.1123.1136.973.50000122
229N28.4Very low29.5Very low157 Ų157145.1 Ų145.184%0.8481%0.807SS**  trans72.4150.2144-620.3000119.3
230S25.1Very low29.2Very low104 Ų104142.6 Ų142.673%0.72780%0.8SS**  cis-158.3141.4-0.338.90000114.3
231E28Very low28.9Very low175 Ų175141.7 Ų141.782%0.81880%0.8SS**  trans39.8159.3140.4-56.5-158.7141.900126
232T26.9Very low28.6Very low136 Ų136132.3 Ų132.383%0.83478%0.783SS**  trans79.5141.6169.477.50000115.9
233S26.2Very low28.7Very low116 Ų116134 Ų13481%0.81178%0.781SS**  cis-148.8176.64.853.40000113
234I30.7Very low28.9Very low158 Ų158136.9 Ų136.981%0.8178%0.782SS**  trans-132135.4-174-75.1171.9000107.8
235P35.8Very low29.5Very low112 Ų112137 Ų13773%0.72778%0.779SS**  -159.4144.697.338.9-17.6000120.9
236R26.1Very low29.1Very low227 Ų227137.4 Ų137.486%0.85777%0.773SS**  trans43.3139.3134.8-60.1179.2171.2173-3.3121.3
237L28Very low29.5Very low151 Ų151140 Ų14079%0.79178%0.779SS**  -175.4154.583.4-91.5167.8000113.4
238Y26.5Very low30Very low206 Ų206137.6 Ų137.681%0.80877%0.773SS**  trans38146.1154.7-97.2-109.3000121.3
239S27.2Very low30.3Very low108 Ų108137.1 Ų137.176%0.75578%0.775SS**  cis-158.8170.939.7-171.10000114.3
240D26.4Very low30.3Very low139 Ų139139 Ų13974%0.74378%0.778SS**  trans-95.4-174.7179.6-95.3-55.5000115.2
241V31Very low31Very low140 Ų140143.1 Ų143.185%0.84878%0.784SS**  trans98.3135.1167.2-174.90000115.9
242G27.7Very low31.3Very low58 Ų58141.7 Ų141.760%0.59879%0.787SS**  cis150.8149.5-12.100000115.3
243S31.8Very low32Very low121 Ų121141.1 Ų141.185%0.84678%0.784SS**  trans69.6163.2172.80.30000116.1
244Q29.1Very low33.8Very low171 Ų171140.6 Ų140.680%0.79978%0.78SS**  cis-154.9167.8-10.3-179.8162.4-40.500109.3
245T39.4Very low34.7Very low118 Ų118138.1 Ų138.172%0.72478%0.777SS**  trans-108.9157.8175.753.70000113.1
246D29.7Very low35.9Very low137 Ų137138.4 Ų138.473%0.73377%0.772SS**  trans-157.6171.2143.9-106.6-41.3000114.5
247L35.8Very low37.7Very low151 Ų151132.7 Ų132.779%0.79175%0.754SS**  trans-115.8170.8180-69.7170.9000111.4
248P40.6Very low39.9Very low110 Ų110131.8 Ų131.871%0.71475%0.749SS**  -139.9175.2107.439-28.4000114.3
249A35.9Very low42.3Very low84 Ų84125 Ų12569%0.69474%0.735SS**  trans-143.8140.4174.500000111.2
250E29.3Very low44.7Very low196 Ų196123.4 Ų123.492%0.91672%0.716SS**  trans-128.7148.7171.4-68.5-162.1132.100111.5
251F39.1Very low47.4Very low191 Ų191120.5 Ų120.584%0.83870%0.697SS**  trans-137.2120.2-176.1-90.9-90.3000111.4
252T35.1Very low50Low145 Ų145118.3 Ų118.389%0.8968%0.683SS**  trans-172.6157.9144.336.70000107.6
253T41.3Very low52.8Low125 Ų125119.7 Ų119.777%0.76767%0.67SS**  cis-120172.2-4.155.50000110.7
254S63Low55.4Low105 Ų105114.2 Ų114.273%0.73463%0.632SS**  trans-133.5101.3-17858.10000113.7
255S49.5Very low58.3Low106 Ų106108.1 Ų108.174%0.74161%0.608SS**SBendtrans-151.9-48162.3-1680000112.1K257S255-K257 VanDerWaalsContact C-N 3.33Å; S255-K257 PolarHBondContact O-N 3.3Å
256N61.1Low60.7Low117 Ų117107.8 Ų107.863%0.62660%0.601SS**THydrogen-bonded Turntrans-82.32.8-165.7-60.8-15.1000116L258 A259 E260N256-L258 VanDerWaalsContact C-N 3.29Å; N256-L258 PolarHBondContact O-N 3.09Å; N256-L258 VanDerWaalsContact O-N 3.13Å; N256-A259 PolarHBondContact O-N 3.14Å; N256-E260 HydrophobicContact CB-CG 4.49Å; N256-E260 PolarHBondContact O-N 3.03Å
257K65.4Low63.6Low108 Ų108106.3 Ų106.347%0.4759%0.588SS.*Hα-helixtrans-59.1-31.9-167.9-64-170.8177.8-172.80114.4S255 K261S255-K257 VanDerWaalsContact C-N 3.33Å; S255-K257 PolarHBondContact O-N 3.3Å; K257-K261 WeakPolarHBondContact O-CB 3.36Å; K257-K261 PolarHBondContact O-N 2.83Å
258L73.6Confident66.2Low131 Ų131100.9 Ų100.969%0.68656%0.557SS**Hα-helixtrans-74.1-42.7176.1-17960.6000112.2N256 E260 K261 V262N256-L258 VanDerWaalsContact C-N 3.29Å; N256-L258 PolarHBondContact O-N 3.09Å; N256-L258 VanDerWaalsContact O-N 3.13Å; L258-E260 VanDerWaalsContact C-N 3.35Å; L258-K261 PolarHBondContact O-N 3.36Å; L258-V262 WeakPolarHBondContact O-CG2 3.43Å; L258-V262 PolarHBondContact O-N 2.88Å
259A76.8Confident68.5Low64 Ų6498.9 Ų98.953%0.52954%0.541SS..Hα-helixtrans-62.8-44176.500000110.8N256 K261 V262 R263N256-A259 PolarHBondContact O-N 3.14Å; A259-K261 PolarHBondContact O-N 2.93Å; A259-V262 PolarHBondContact O-N 3.29Å; A259-R263 WeakPolarHBondContact O-CB 3.46Å; A259-R263 PolarHBondContact O-N 3.22Å
260E77.4Confident71.1Confident75 Ų7598.1 Ų98.135%0.3552%0.523SS..Hα-helixtrans-62.1-41.7174.8-73.4-63.794.400112.5N256 L258 V262 R263 L264N256-E260 HydrophobicContact CB-CG 4.49Å; N256-E260 PolarHBondContact O-N 3.03Å; L258-E260 VanDerWaalsContact C-N 3.35Å; E260-V262 PolarHBondContact O-N 3.44Å; E260-R263 PolarHBondContact O-N 3.02Å; E260-R263 WeakPolarHBondContact OE1-CD 3.31Å; E260-R263 IonicContact OE1-CZ 2.91Å; E260-R263 IonicContact OE1-NE 3.21Å; E260-R263 PolarHBondContact OE1-NE 3.47Å; E260-R263 IonicContact OE1-NH2 3.76Å; E260-R263 IonicContact OE2-CZ 3.61Å; E260-R263 IonicContact OE2-NE 2.72Å; E260-R263 PolarHBondContact OE2-NE 2.94Å; E260-R263 IonicContact OE2-NH2 2.87Å; E260-R263 PolarHBondContact OE2-NH2 3.16Å; E260-L264 WeakPolarHBondContact O-CB 3.44Å; E260-L264 VanDerWaalsContact O-CG 3.29Å; E260-L264 WeakPolarHBondContact O-CG 3.3Å; E260-L264 PolarHBondContact O-N 3.48Å
261K82.9Confident73.9Confident78 Ų7889.2 Ų89.234%0.33948%0.483SS..Hα-helixtrans-62.1-40.7174.5177.9166.5174.21660112.7K257 L258 A259 S265 S388K257-K261 WeakPolarHBondContact O-CB 3.36Å; K257-K261 PolarHBondContact O-N 2.83Å; L258-K261 PolarHBondContact O-N 3.36Å; A259-K261 PolarHBondContact O-N 2.93Å; K261-S265 WeakPolarHBondContact O-CB 3.31Å; K261-S265 PolarHBondContact O-N 3.33Å; K261-S388 WeakPolarHBondContact CE-OG 3.39Å; K261-S388 PolarHBondContact NZ-OG 2.85Å
262V85.1Confident76.2Confident93 Ų9384.6 Ų84.656%0.56446%0.462SS*.Hα-helixtrans-67.5-44174.9172.90000110.9L258 A259 E260 L264 S265 L266L258-V262 WeakPolarHBondContact O-CG2 3.43Å; L258-V262 PolarHBondContact O-N 2.88Å; A259-V262 PolarHBondContact O-N 3.29Å; E260-V262 PolarHBondContact O-N 3.44Å; V262-L264 VanDerWaalsContact C-N 3.3Å; V262-L264 PolarHBondContact O-N 2.84Å; V262-S265 PolarHBondContact O-N 2.92Å; V262-L266 WeakPolarHBondContact O-CB 3.35Å; V262-L266 PolarHBondContact O-N 2.83Å
263R87.7Confident78.8Confident87 Ų8785.1 Ų85.133%0.32845%0.448SS..Hα-helixtrans-59.1-39.1176-170.6-167.15960.2-12.3112.2A259 E260 K267A259-R263 WeakPolarHBondContact O-CB 3.46Å; A259-R263 PolarHBondContact O-N 3.22Å; E260-R263 PolarHBondContact O-N 3.02Å; E260-R263 WeakPolarHBondContact OE1-CD 3.31Å; E260-R263 IonicContact OE1-CZ 2.91Å; E260-R263 IonicContact OE1-NE 3.21Å; E260-R263 PolarHBondContact OE1-NE 3.47Å; E260-R263 IonicContact OE1-NH2 3.76Å; E260-R263 IonicContact OE2-CZ 3.61Å; E260-R263 IonicContact OE2-NE 2.72Å; E260-R263 PolarHBondContact OE2-NE 2.94Å; E260-R263 IonicContact OE2-NH2 2.87Å; E260-R263 PolarHBondContact OE2-NH2 3.16Å; R263-K267 WeakPolarHBondContact O-CG 3.15Å; R263-K267 PolarHBondContact O-N 2.99Å
264L86.1Confident81.1Confident6 Ų685.4 Ų85.43%0.03144%0.435CS..Hα-helixtrans-76.7-37.7178-72167.4000112.4E260 V262 K267 Y268 L380 E383 L387E260-L264 WeakPolarHBondContact O-CB 3.44Å; E260-L264 VanDerWaalsContact O-CG 3.29Å; E260-L264 WeakPolarHBondContact O-CG 3.3Å; E260-L264 PolarHBondContact O-N 3.48Å; V262-L264 VanDerWaalsContact C-N 3.3Å; V262-L264 PolarHBondContact O-N 2.84Å; L264-K267 PolarHBondContact O-N 3.42Å; L264-Y268 WeakPolarHBondContact O-CB 3.48Å; L264-Y268 PolarHBondContact O-N 3.29Å; L264-L380 HydrophobicContact CD2-CD2 3.55Å; L264-E383 HydrophobicContact CD1-CB 4.3Å; L264-E383 WeakPolarHBondContact CD2-OE2 3.33Å; L264-L387 HydrophobicContact CD1-CD1 3.44Å; L264-L387 VanDerWaalsContact CD1-CD1 3.44Å
265S88.9Confident82.3Confident43 Ų4381.6 Ų81.630%0.30141%0.406SS..Hα-helixtrans-59.2-48.2171.3-160.90000110.6K261 V262 K267 Y268 D269K261-S265 WeakPolarHBondContact O-CB 3.31Å; K261-S265 PolarHBondContact O-N 3.33Å; V262-S265 PolarHBondContact O-N 2.92Å; S265-K267 VanDerWaalsContact C-N 3.31Å; S265-K267 PolarHBondContact O-N 3.45Å; S265-Y268 WeakPolarHBondContact O-CB 3.41Å; S265-Y268 PolarHBondContact O-N 3.07Å; S265-D269 WeakPolarHBondContact O-CB 3.46Å; S265-D269 VanDerWaalsContact O-CG 3.3Å; S265-D269 PolarHBondContact O-N 2.94Å; S265-D269 PolarHBondContact OG-OD2 3.45Å
266L90.5Very high84Confident111 Ų11178.8 Ų78.858%0.58139%0.389SS*.Hα-helixtrans-59.1-40.9179.2-175.762.5000112.3V262 E270V262-L266 WeakPolarHBondContact O-CB 3.35Å; V262-L266 PolarHBondContact O-N 2.83Å; L266-E270 WeakPolarHBondContact O-CB 3.46Å; L266-E270 PolarHBondContact O-N 2.99Å
267K89.8Confident85.4Confident106 Ų10676.2 Ų76.246%0.46138%0.381SS..Hα-helixtrans-66.6-37.4174-76.3-174.3175.9-174.90113R263 L264 S265 E270 A271 L380R263-K267 WeakPolarHBondContact O-CG 3.15Å; R263-K267 PolarHBondContact O-N 2.99Å; L264-K267 PolarHBondContact O-N 3.42Å; S265-K267 VanDerWaalsContact C-N 3.31Å; S265-K267 PolarHBondContact O-N 3.45Å; K267-E270 PolarHBondContact O-N 2.86Å; K267-A271 WeakPolarHBondContact O-CB 3.47Å; K267-A271 PolarHBondContact O-N 2.98Å; K267-L380 HydrophobicContact CB-CD1 3.92Å; K267-L380 HydrophobicContact CB-CD2 4.19Å
268Y92.2Very high86.5Confident37 Ų3771.2 Ų71.215%0.14536%0.359CS..Hα-helixtrans-68.9-41.3176.4171-113.7000111.9L264 S265 E270 A271 K272 A377 L380 Q381L264-Y268 WeakPolarHBondContact O-CB 3.48Å; L264-Y268 PolarHBondContact O-N 3.29Å; S265-Y268 WeakPolarHBondContact O-CB 3.41Å; S265-Y268 PolarHBondContact O-N 3.07Å; Y268-E270 VanDerWaalsContact C-N 3.29Å; Y268-E270 PolarHBondContact O-N 2.81Å; Y268-A271 PolarHBondContact O-N 3.03Å; Y268-K272 HydrophobicContact CE1-CD 4.29Å; Y268-K272 VanDerWaalsContact CZ-NZ 3.33Å; Y268-K272 WeakPolarHBondContact O-CG 3.13Å; Y268-K272 PolarHBondContact O-N 3.17Å; Y268-K272 VanDerWaalsContact OH-CE 3.27Å; Y268-K272 WeakPolarHBondContact OH-CE 3.26Å; Y268-K272 PolarHBondContact OH-NZ 2.87Å; Y268-K272 VanDerWaalsContact OH-NZ 3.13Å; Y268-A377 HydrophobicContact CD2-CB 4.48Å; Y268-A377 WeakPolarHBondContact CD2-O 3.36Å; Y268-L380 HydrophobicContact CD2-CB 4.44Å; Y268-Q381 HydrophobicContact CD2-CB 4.28Å; Y268-Q381 HydrophobicContact CE2-CB 3.8Å; Y268-Q381 HydrophobicContact CE2-CG 4.29Å; Y268-Q381 PolarHBondContact OH-OE1 3.27Å
269D88.1Confident87Confident68 Ų6869.5 Ų69.536%0.36435%0.347SS..Hα-helixtrans-74.9-18.9175.8-61-43.6000112.2S265 R273S265-D269 WeakPolarHBondContact O-CB 3.46Å; S265-D269 VanDerWaalsContact O-CG 3.3Å; S265-D269 PolarHBondContact O-N 2.94Å; S265-D269 PolarHBondContact OG-OD2 3.45Å; D269-R273 WeakPolarHBondContact O-CG 3.43Å; D269-R273 PolarHBondContact O-NE 3.15Å
270E89.6Confident87.3Confident69 Ų6971 Ų7132%0.32235%0.349SS..Hα-helixtrans-76.2-47.7163.5-166.4-169.8153.300112.1L266 K267 Y268 K272 R273 R274L266-E270 WeakPolarHBondContact O-CB 3.46Å; L266-E270 PolarHBondContact O-N 2.99Å; K267-E270 PolarHBondContact O-N 2.86Å; Y268-E270 VanDerWaalsContact C-N 3.29Å; Y268-E270 PolarHBondContact O-N 2.81Å; E270-K272 VanDerWaalsContact C-N 3.27Å; E270-K272 PolarHBondContact O-N 2.86Å; E270-R273 WeakPolarHBondContact O-CA 3.39Å; E270-R273 PolarHBondContact O-N 3.37Å; E270-R274 PolarHBondContact O-N 3.03Å; E270-R274 IonicContact OE1-CZ 3.89Å; E270-R274 IonicContact OE1-NE 3.87Å; E270-R274 PolarHBondContact OE1-NE 2.83Å; E270-R274 IonicContact OE1-NH2 2.64Å; E270-R274 PolarHBondContact OE1-NH2 3.29Å
271A88.9Confident87.6Confident9 Ų971.6 Ų71.67%0.07435%0.352CS..Hα-helixtrans-56.9-4117700000111.6K267 Y268 R273 R274 I275 A377 L380K267-A271 WeakPolarHBondContact O-CB 3.47Å; K267-A271 PolarHBondContact O-N 2.98Å; Y268-A271 PolarHBondContact O-N 3.03Å; A271-R273 PolarHBondContact O-N 2.71Å; A271-R274 PolarHBondContact O-N 3.44Å; A271-I275 WeakPolarHBondContact O-CG1 3.5Å; A271-I275 PolarHBondContact O-N 3.21Å; A271-A377 HydrophobicContact CB-CB 4.06Å; A271-L380 HydrophobicContact CB-CD1 4.43Å
272K87.7Confident87.6Confident94 Ų9468.8 Ų68.841%0.40934%0.341SS..Hα-helixtrans-59.4-41.1171.3-80.2177.4169.51740114.2Y268 E270 R274 I275 A276Y268-K272 HydrophobicContact CE1-CD 4.29Å; Y268-K272 VanDerWaalsContact CZ-NZ 3.33Å; Y268-K272 WeakPolarHBondContact O-CG 3.13Å; Y268-K272 PolarHBondContact O-N 3.17Å; Y268-K272 VanDerWaalsContact OH-CE 3.27Å; Y268-K272 WeakPolarHBondContact OH-CE 3.26Å; Y268-K272 PolarHBondContact OH-NZ 2.87Å; Y268-K272 VanDerWaalsContact OH-NZ 3.13Å; E270-K272 VanDerWaalsContact C-N 3.27Å; E270-K272 PolarHBondContact O-N 2.86Å; K272-R274 VanDerWaalsContact C-N 3.33Å; K272-I275 PolarHBondContact O-N 2.99Å; K272-A276 PolarHBondContact O-N 3.46Å
273R88.6Confident87.2Confident156 Ų15665.4 Ų65.459%0.58932%0.323SS*.Hα-helixtrans-69-33176.4-74.8178-67.8141.70.1111.7D269 E270 A271 S277D269-R273 WeakPolarHBondContact O-CG 3.43Å; D269-R273 PolarHBondContact O-NE 3.15Å; E270-R273 WeakPolarHBondContact O-CA 3.39Å; E270-R273 PolarHBondContact O-N 3.37Å; A271-R273 PolarHBondContact O-N 2.71Å; R273-S277 VanDerWaalsContact O-CB 3.29Å; R273-S277 WeakPolarHBondContact O-CB 3.48Å; R273-S277 PolarHBondContact O-N 2.93Å
274R89.8Confident86.7Confident131 Ų13168 Ų6849%0.49434%0.336SS..Hα-helixtrans-66.8-47.8171.5-64.6-177.8-173.8-1505.4111.4E270 A271 K272 A276 S277 I278 T373E270-R274 PolarHBondContact O-N 3.03Å; E270-R274 IonicContact OE1-CZ 3.89Å; E270-R274 IonicContact OE1-NE 3.87Å; E270-R274 PolarHBondContact OE1-NE 2.83Å; E270-R274 IonicContact OE1-NH2 2.64Å; E270-R274 PolarHBondContact OE1-NH2 3.29Å; A271-R274 PolarHBondContact O-N 3.44Å; K272-R274 VanDerWaalsContact C-N 3.33Å; R274-A276 PolarHBondContact O-N 2.8Å; R274-S277 WeakPolarHBondContact O-CB 3.35Å; R274-S277 PolarHBondContact O-N 3.24Å; R274-S277 VanDerWaalsContact O-N 3.1Å; R274-I278 WeakPolarHBondContact O-CD1 3.43Å; R274-I278 VanDerWaalsContact O-CG1 3.28Å; R274-I278 WeakPolarHBondContact O-CG1 3.28Å; R274-I278 PolarHBondContact O-N 2.95Å; R274-T373 HydrophobicContact CB-CG2 4.35Å
275I89.6Confident86.2Confident25 Ų2568.7 Ų68.713%0.12834%0.34CS..Hα-helixtrans-51.1-55.7173.6-73164.1000110.5A271 K272 S277 I278 E279 L370 V374 A377A271-I275 WeakPolarHBondContact O-CG1 3.5Å; A271-I275 PolarHBondContact O-N 3.21Å; K272-I275 PolarHBondContact O-N 2.99Å; I275-S277 VanDerWaalsContact C-N 3.31Å; I275-S277 PolarHBondContact O-N 3.47Å; I275-I278 PolarHBondContact O-N 3.14Å; I275-I278 VanDerWaalsContact O-N 3.11Å; I275-E279 HydrophobicContact CG2-CG 4.42Å; I275-E279 WeakPolarHBondContact O-CG 3.32Å; I275-E279 PolarHBondContact O-N 3.45Å; I275-L370 HydrophobicContact CB-CD1 4.32Å; I275-L370 HydrophobicContact CG1-CD1 4.35Å; I275-L370 HydrophobicContact CG2-CD1 3.9Å; I275-V374 HydrophobicContact CD1-CG2 3.82Å; I275-V374 HydrophobicContact CG1-CG2 4.04Å; I275-A377 HydrophobicContact CD1-CB 3.75Å
276A84.3Confident85.1Confident46 Ų4670 Ų7038%0.3834%0.344SS..Hα-helixtrans-61-35.8178.700000113.3K272 R274 V280K272-A276 PolarHBondContact O-N 3.46Å; R274-A276 PolarHBondContact O-N 2.8Å; A276-V280 VanDerWaalsContact O-CG2 3.31Å; A276-V280 WeakPolarHBondContact O-CG2 3.29Å; A276-V280 PolarHBondContact O-N 2.67Å
277S90.2Very high83.8Confident64 Ų6467 Ų6745%0.44833%0.332SS..Hα-helixtrans-68.4-34.8175.7-172.90000113R273 R274 I275 Q281R273-S277 VanDerWaalsContact O-CB 3.29Å; R273-S277 WeakPolarHBondContact O-CB 3.48Å; R273-S277 PolarHBondContact O-N 2.93Å; R274-S277 WeakPolarHBondContact O-CB 3.35Å; R274-S277 PolarHBondContact O-N 3.24Å; R274-S277 VanDerWaalsContact O-N 3.1Å; I275-S277 VanDerWaalsContact C-N 3.31Å; I275-S277 PolarHBondContact O-N 3.47Å; S277-Q281 WeakPolarHBondContact O-CG 3.48Å; S277-Q281 PolarHBondContact O-N 3.29Å; S277-Q281 VanDerWaalsContact O-N 3.13Å; S277-Q281 PolarHBondContact O-NE2 3.26Å
278I88.2Confident82.6Confident3 Ų367.1 Ų67.12%0.01533%0.334CS..Hα-helixtrans-74.8-42.3175.9-64.6159.5000110R274 I275 V280 Q281 I282 L366 E369 L370 T373R274-I278 WeakPolarHBondContact O-CD1 3.43Å; R274-I278 VanDerWaalsContact O-CG1 3.28Å; R274-I278 WeakPolarHBondContact O-CG1 3.28Å; R274-I278 PolarHBondContact O-N 2.95Å; I275-I278 PolarHBondContact O-N 3.14Å; I275-I278 VanDerWaalsContact O-N 3.11Å; I278-V280 VanDerWaalsContact C-N 3.31Å; I278-V280 PolarHBondContact O-N 3.08Å; I278-Q281 PolarHBondContact O-N 2.98Å; I278-Q281 VanDerWaalsContact O-N 3.09Å; I278-I282 HydrophobicContact CG2-CD1 3.88Å; I278-I282 HydrophobicContact CG2-CG1 4.4Å; I278-I282 WeakPolarHBondContact O-CG1 3.44Å; I278-I282 PolarHBondContact O-N 3Å; I278-L366 HydrophobicContact CG2-CB 4.2Å; I278-L366 HydrophobicContact CG2-CD2 4.26Å; I278-L366 VanDerWaalsContact CG2-O 3.23Å; I278-L366 WeakPolarHBondContact CG2-O 3.29Å; I278-E369 HydrophobicContact CD1-CB 4.15Å; I278-E369 HydrophobicContact CD1-CG 3.7Å; I278-L370 HydrophobicContact CB-CD1 4.39Å; I278-L370 HydrophobicContact CG2-CB 3.85Å; I278-L370 HydrophobicContact CG2-CD1 4.26Å; I278-T373 HydrophobicContact CD1-CG2 4Å
279E83.9Confident81.3Confident94 Ų9468.2 Ų68.244%0.43935%0.351SS..Hα-helixtrans-56.3-43.3172.7-72.4174.414900111.6I275 I282 A283 L370I275-E279 HydrophobicContact CG2-CG 4.42Å; I275-E279 WeakPolarHBondContact O-CG 3.32Å; I275-E279 PolarHBondContact O-N 3.45Å; E279-I282 PolarHBondContact O-N 2.9Å; E279-A283 VanDerWaalsContact O-CB 3.25Å; E279-A283 WeakPolarHBondContact O-CB 3.19Å; E279-A283 PolarHBondContact O-N 3.24Å; E279-L370 HydrophobicContact CG-CD1 4.02Å; E279-L370 HydrophobicContact CG-CD2 4.38Å
280V83.4Confident80.1Confident95 Ų9567.1 Ų67.158%0.57634%0.342SS*.Hα-helixtrans-66-36.8174.3168.40000112.4A276 I278 K284A276-V280 VanDerWaalsContact O-CG2 3.31Å; A276-V280 WeakPolarHBondContact O-CG2 3.29Å; A276-V280 PolarHBondContact O-N 2.67Å; I278-V280 VanDerWaalsContact C-N 3.31Å; I278-V280 PolarHBondContact O-N 3.08Å; V280-K284 WeakPolarHBondContact O-CB 3.47Å; V280-K284 PolarHBondContact O-N 3.37Å
281Q83.3Confident78.4Confident88 Ų8865.5 Ų65.541%0.41134%0.337SS..Hα-helixtrans-69.4-39.1175.6-76.2178.77900112.8S277 I278 K284 L285 L366S277-Q281 WeakPolarHBondContact O-CG 3.48Å; S277-Q281 PolarHBondContact O-N 3.29Å; S277-Q281 VanDerWaalsContact O-N 3.13Å; S277-Q281 PolarHBondContact O-NE2 3.26Å; I278-Q281 PolarHBondContact O-N 2.98Å; I278-Q281 VanDerWaalsContact O-N 3.09Å; Q281-K284 PolarHBondContact O-N 3.18Å; Q281-L285 PolarHBondContact O-N 3.3Å; Q281-L285 VanDerWaalsContact O-N 3.13Å; Q281-L366 HydrophobicContact CB-CD1 3.87Å; Q281-L366 HydrophobicContact CB-CD2 4.23Å
282I84.8Confident76.7Confident20 Ų2067 Ų6710%0.10335%0.353CS..Hα-helixtrans-64.9-47173.1-66165.6000109.7I278 E279 K284 L285 D286 L366 V367 L370I278-I282 HydrophobicContact CG2-CD1 3.88Å; I278-I282 HydrophobicContact CG2-CG1 4.4Å; I278-I282 WeakPolarHBondContact O-CG1 3.44Å; I278-I282 PolarHBondContact O-N 3Å; E279-I282 PolarHBondContact O-N 2.9Å; I282-K284 VanDerWaalsContact C-N 3.26Å; I282-K284 PolarHBondContact O-N 2.87Å; I282-L285 PolarHBondContact O-N 3.22Å; I282-L285 VanDerWaalsContact O-N 3.16Å; I282-D286 PolarHBondContact O-N 3.06Å; I282-L366 HydrophobicContact CD1-CB 4.13Å; I282-L366 HydrophobicContact CG1-CB 3.7Å; I282-L366 HydrophobicContact CG1-CD1 4.33Å; I282-V367 HydrophobicContact CD1-CG2 3.9Å; I282-L370 HydrophobicContact CD1-CD2 4.01Å
283A74.8Confident75.1Confident22 Ų2263.7 Ų63.718%0.18234%0.34CS..Hα-helixtrans-60.2-35.4176.700000112.4E279 D286 S287 L1064E279-A283 VanDerWaalsContact O-CB 3.25Å; E279-A283 WeakPolarHBondContact O-CB 3.19Å; E279-A283 PolarHBondContact O-N 3.24Å; A283-D286 PolarHBondContact O-N 3.36Å; A283-S287 VanDerWaalsContact O-CB 3.26Å; A283-S287 WeakPolarHBondContact O-CB 3.37Å; A283-S287 PolarHBondContact O-N 3.04Å; A283-L1064 HydrophobicContact CB-CD1 3.62Å; A283-L1064 HydrophobicContact CB-CD2 3.98Å; A283-L1064 HydrophobicContact CB-CG 4.46Å
284K78.2Confident73.5Confident141 Ų14158.8 Ų58.861%0.61333%0.325SS*.Hα-helixtrans-64.4-47.1173.5-176.1168.6-179.4170.30111.9V280 Q281 I282 S287 E288V280-K284 WeakPolarHBondContact O-CB 3.47Å; V280-K284 PolarHBondContact O-N 3.37Å; Q281-K284 PolarHBondContact O-N 3.18Å; I282-K284 VanDerWaalsContact C-N 3.26Å; I282-K284 PolarHBondContact O-N 2.87Å; K284-S287 WeakPolarHBondContact O-CB 3.46Å; K284-S287 PolarHBondContact O-N 3.33Å; K284-S287 VanDerWaalsContact O-N 3.16Å; K284-S287 PolarHBondContact O-OG 3.37Å; K284-E288 PolarHBondContact O-N 2.95Å
285L74.9Confident72.1Confident20 Ų2056.1 Ų56.111%0.10532%0.321CS..Hα-helixtrans-62.9-41.8175.6-67.1174.8000111.9Q281 I282 S287 E288 L359 K362 R363 L366Q281-L285 PolarHBondContact O-N 3.3Å; Q281-L285 VanDerWaalsContact O-N 3.13Å; I282-L285 PolarHBondContact O-N 3.22Å; I282-L285 VanDerWaalsContact O-N 3.16Å; L285-S287 PolarHBondContact O-N 2.7Å; L285-E288 WeakPolarHBondContact O-CB 3.38Å; L285-E288 PolarHBondContact O-N 3.2Å; L285-L359 HydrophobicContact CD2-CD2 3.94Å; L285-K362 HydrophobicContact CD1-CD 4.22Å; L285-K362 HydrophobicContact CD1-CG 4.14Å; L285-K362 HydrophobicContact CD2-CD 4.36Å; L285-R363 HydrophobicContact CD1-CB 4.21Å; L285-L366 HydrophobicContact CD1-CD1 3.73Å
286D67.1Low70.9Confident72 Ų7256.4 Ų56.439%0.38532%0.324SS..Hα-helixtrans-67.8-25.2176.3-73.8-8000111.6I282 A283 E288 A289 R363I282-D286 PolarHBondContact O-N 3.06Å; A283-D286 PolarHBondContact O-N 3.36Å; D286-E288 VanDerWaalsContact C-N 3.29Å; D286-E288 PolarHBondContact O-N 2.87Å; D286-A289 PolarHBondContact O-N 3.29Å; D286-R363 IonicContact OD1-CZ 3.64Å; D286-R363 IonicContact OD1-NE 3.76Å; D286-R363 PolarHBondContact OD1-NE 2.72Å; D286-R363 IonicContact OD1-NH2 2.74Å; D286-R363 PolarHBondContact OD1-NH2 3.3Å; D286-R363 IonicContact OD2-CZ 3.28Å; D286-R363 IonicContact OD2-NE 3.62Å; D286-R363 IonicContact OD2-NH2 2.7Å; D286-R363 PolarHBondContact OD2-NH2 3.34Å
287S63.3Low70.1Confident47 Ų4756 Ų5633%0.32932%0.315SS..THydrogen-bonded Turntrans-76.1-8.4174.880.30000115A283 K284 L285 R1071A283-S287 VanDerWaalsContact O-CB 3.26Å; A283-S287 WeakPolarHBondContact O-CB 3.37Å; A283-S287 PolarHBondContact O-N 3.04Å; K284-S287 WeakPolarHBondContact O-CB 3.46Å; K284-S287 PolarHBondContact O-N 3.33Å; K284-S287 VanDerWaalsContact O-N 3.16Å; K284-S287 PolarHBondContact O-OG 3.37Å; L285-S287 PolarHBondContact O-N 2.7Å; S287-R1071 PolarHBondContact O-NH1 3.27Å; S287-R1071 PolarHBondContact O-NH2 3.31Å
288E64.6Low69.4Low109 Ų10960 Ų6051%0.50932%0.32SS..THydrogen-bonded Turntrans-78.4-11.4170.8-66.5167.7-165.200111.4K284 L285 D286K284-E288 PolarHBondContact O-N 2.95Å; L285-E288 WeakPolarHBondContact O-CB 3.38Å; L285-E288 PolarHBondContact O-N 3.2Å; D286-E288 VanDerWaalsContact C-N 3.29Å; D286-E288 PolarHBondContact O-N 2.87Å
289A64.2Low69Low60 Ų6060.2 Ų60.250%0.49632%0.321SS..SBendtrans-102.3143.8177.800000113.5D286 R1071D286-A289 PolarHBondContact O-N 3.29Å; A289-R1071 PolarHBondContact O-NH1 3.49Å
290W62.6Low68.8Low45 Ų4561.1 Ų61.117%0.1732%0.321CS..  trans-96.1117.9176.9-81.8102.8000111.7M56 D59 Y60 G292 R1071M56-W290 HydrophobicContact CB-CH2 3.95Å; M56-W290 HydrophobicContact CG-CH2 4.33Å; M56-W290 WeakPolarHBondContact O-CH2 3.31Å; M56-W290 VanDerWaalsContact O-CZ2 3.31Å; M56-W290 WeakPolarHBondContact O-CZ2 3.34Å; D59-W290 HydrophobicContact CB-CZ2 4.04Å; Y60-W290 AromaticContact CD2-CD2 3.73Å; Y60-W290 HydrophobicContact CD2-CD2 3.73Å; Y60-W290 AromaticContact CD2-CE3 3.45Å; Y60-W290 HydrophobicContact CD2-CE3 3.45Å; Y60-W290 VanDerWaalsContact CD2-CE3 3.45Å; Y60-W290 HydrophobicContact CD2-CG 4.21Å; Y60-W290 HydrophobicContact CD2-CH2 4.48Å; Y60-W290 AromaticContact CD2-CZ3 3.83Å; Y60-W290 HydrophobicContact CD2-CZ3 3.83Å; Y60-W290 HydrophobicContact CE2-CE3 4.23Å; Y60-W290 HydrophobicContact CG-CE3 4.3Å; Y60-W290 HydrophobicContact CG-CZ3 4.26Å; W290-G292 PolarHBondContact O-N 3.26Å; W290-R1071 HydrophobicContact CE3-CB 4Å; W290-R1071 HydrophobicContact CE3-CG 3.98Å; W290-R1071 HydrophobicContact CH2-CG 3.93Å; W290-R1071 HydrophobicContact CZ3-CB 3.67Å; W290-R1071 HydrophobicContact CZ3-CG 3.36Å
291P54.7Low68.8Low34 Ų3460.8 Ų60.822%0.22132%0.315CS..THydrogen-bonded Turntrans-59.5104-174.5-27.235.8000113.6L293 R1071 E1072 A1075 R1079P291-L293 VanDerWaalsContact C-N 3.29Å; P291-L293 PolarHBondContact O-N 3.41Å; P291-R1071 HydrophobicContact CG-CB 4.12Å; P291-E1072 HydrophobicContact CB-CG 4Å; P291-E1072 HydrophobicContact CG-CG 4.45Å; P291-A1075 WeakPolarHBondContact O-CB 3.33Å; P291-R1079 PolarHBondContact O-NH2 3.48Å
292G52.4Low68.9Low40 Ų4059.2 Ų59.241%0.41231%0.309SS..THydrogen-bonded Turntrans59.833166.400000115.5W290 R1079W290-G292 PolarHBondContact O-N 3.26Å; G292-R1079 WeakPolarHBondContact O-CG 3.47Å; G292-R1079 PolarHBondContact O-NE 3.47Å
293L53.5Low69Low26 Ų2659 Ų5914%0.13631%0.308CS..SBendtrans-56.4148.1130.8-172.565000106.6Y60 V63 A67 P291 D295 P296Y60-L293 HydrophobicContact CE2-CB 4.41Å; V63-L293 HydrophobicContact CB-CD2 4.27Å; V63-L293 HydrophobicContact CG1-CD2 3.6Å; A67-L293 HydrophobicContact CB-CD1 4.27Å; A67-L293 HydrophobicContact CB-CD2 4.36Å; P291-L293 VanDerWaalsContact C-N 3.29Å; P291-L293 PolarHBondContact O-N 3.41Å; L293-D295 PolarHBondContact O-N 3.29Å; L293-P296 HydrophobicContact CD2-CG 3.92Å
294L54.9Low69.5Low53 Ų5358.5 Ų58.528%0.27730%0.302SS..  trans-60.4129.8165.6-77.3161.7000106.7K149 P296K149-L294 VanDerWaalsContact NZ-CD1 3.35Å; L294-P296 WeakPolarHBondContact O-CD 3.37Å
295D60.7Low70Confident75 Ų7555 Ų5540%0.40129%0.29SS..  trans-41.7114.9174.7-8324.2000107.7L293 E297 R298 D299 R356L293-D295 PolarHBondContact O-N 3.29Å; D295-E297 PolarHBondContact O-N 2.87Å; D295-R298 HydrophobicContact CB-CB 3.85Å; D295-R298 WeakPolarHBondContact O-CA 3.49Å; D295-R298 WeakPolarHBondContact O-CB 3.13Å; D295-R298 PolarHBondContact O-N 2.97Å; D295-D299 PolarHBondContact O-N 3.23Å; D295-D299 VanDerWaalsContact O-N 3.17Å; D295-R356 IonicContact OD2-CZ 3.22Å; D295-R356 IonicContact OD2-NH1 3.06Å; D295-R356 PolarHBondContact OD2-NH1 2.93Å; D295-R356 IonicContact OD2-NH2 2.7Å
296P64.6Low70.8Confident31 Ų3155 Ų5520%0.20129%0.289CS..Hα-helixtrans-59-25.2-179.4-27.236.1000110.9V63 L293 L294 D299 R300V63-P296 HydrophobicContact CG1-CG 3.77Å; L293-P296 HydrophobicContact CD2-CG 3.92Å; L294-P296 WeakPolarHBondContact O-CD 3.37Å; P296-D299 PolarHBondContact O-N 3.42Å; P296-R300 VanDerWaalsContact O-CB 3.32Å; P296-R300 WeakPolarHBondContact O-CB 3.26Å; P296-R300 WeakPolarHBondContact O-CD 3.45Å; P296-R300 WeakPolarHBondContact O-CG 3.45Å; P296-R300 PolarHBondContact O-N 2.95Å
297E67.9Low71.8Confident38 Ų3852.8 Ų52.818%0.17828%0.276CS..Hα-helixtrans-65.8-33.7170.2-160.553.5-143.300114.3D295 R300 L301 Q349D295-E297 PolarHBondContact O-N 2.87Å; E297-R300 IonicContact OE2-NH1 3.15Å; E297-L301 VanDerWaalsContact O-CB 3.29Å; E297-L301 WeakPolarHBondContact O-CB 3.48Å; E297-L301 PolarHBondContact O-N 2.92Å; E297-Q349 WeakPolarHBondContact OE1-CB 3.34Å; E297-Q349 VanDerWaalsContact OE1-CG 3.26Å; E297-Q349 WeakPolarHBondContact OE1-CG 3.39Å; E297-Q349 PolarHBondContact OE1-NE2 3.34Å
298R75.8Confident73Confident146 Ų14652.4 Ų52.455%0.55127%0.269SS*.Hα-helixtrans-71-44.3172.4-178.4-175178.4-148.1-4.2111D295 L301 I302D295-R298 HydrophobicContact CB-CB 3.85Å; D295-R298 WeakPolarHBondContact O-CA 3.49Å; D295-R298 WeakPolarHBondContact O-CB 3.13Å; D295-R298 PolarHBondContact O-N 2.97Å; R298-L301 PolarHBondContact O-N 3.38Å; R298-I302 HydrophobicContact CG-CD1 4.14Å; R298-I302 VanDerWaalsContact O-CG1 3.32Å; R298-I302 WeakPolarHBondContact O-CG1 3.32Å; R298-I302 PolarHBondContact O-N 2.81Å
299D79.6Confident74.1Confident9 Ų950.1 Ų50.15%0.04826%0.259CS..Hα-helixtrans-63.8-43.1175.4-73.7-31.9000110.1A70 Q71 I74 D295 P296 L301 I302 L303A70-D299 HydrophobicContact CB-CB 4.46Å; Q71-D299 HydrophobicContact CG-CB 4.42Å; Q71-D299 PolarHBondContact NE2-OD1 2.96Å; Q71-D299 PolarHBondContact NE2-OD2 3.43Å; I74-D299 HydrophobicContact CD1-CB 4.45Å; I74-D299 WeakPolarHBondContact CD1-O 3.47Å; D295-D299 PolarHBondContact O-N 3.23Å; D295-D299 VanDerWaalsContact O-N 3.17Å; P296-D299 PolarHBondContact O-N 3.42Å; D299-L301 PolarHBondContact O-N 2.97Å; D299-I302 PolarHBondContact O-N 2.84Å; D299-L303 WeakPolarHBondContact O-CB 3.41Å; D299-L303 PolarHBondContact O-N 2.7Å
300R80.6Confident75.1Confident113 Ų11347.5 Ų47.543%0.42624%0.236SC..Hα-helixtrans-58.2-41.6171-73.6164-176.2174.3-0.4113P296 E297 L303 I304P296-R300 VanDerWaalsContact O-CB 3.32Å; P296-R300 WeakPolarHBondContact O-CB 3.26Å; P296-R300 WeakPolarHBondContact O-CD 3.45Å; P296-R300 WeakPolarHBondContact O-CG 3.45Å; P296-R300 PolarHBondContact O-N 2.95Å; E297-R300 IonicContact OE2-NH1 3.15Å; R300-L303 WeakPolarHBondContact O-CB 3.17Å; R300-L303 PolarHBondContact O-N 3.32Å; R300-I304 VanDerWaalsContact O-CG1 3.26Å; R300-I304 WeakPolarHBondContact O-CG1 3.32Å; R300-I304 PolarHBondContact O-N 2.94Å
301L82.8Confident76.3Confident88 Ų8846.2 Ų46.246%0.46123%0.233SC..Hα-helixtrans-65.7-38.7176.1179.859.8000112.2E297 R298 D299 I304 N305E297-L301 VanDerWaalsContact O-CB 3.29Å; E297-L301 WeakPolarHBondContact O-CB 3.48Å; E297-L301 PolarHBondContact O-N 2.92Å; R298-L301 PolarHBondContact O-N 3.38Å; D299-L301 PolarHBondContact O-N 2.97Å; L301-I304 PolarHBondContact O-N 3.48Å; L301-N305 PolarHBondContact O-N 2.92Å
302I85.5Confident77.9Confident54 Ų5449.9 Ų49.928%0.27725%0.245SC..Hα-helixtrans-63.7-45.1172.7-67.9163.8000109.8I74 R298 D299 I304 N305 E306I74-I302 HydrophobicContact CD1-CB 4.17Å; I74-I302 HydrophobicContact CD1-CG2 3.9Å; I74-I302 HydrophobicContact CG1-CG2 4.29Å; I74-I302 HydrophobicContact CG2-CG2 4.2Å; R298-I302 HydrophobicContact CG-CD1 4.14Å; R298-I302 VanDerWaalsContact O-CG1 3.32Å; R298-I302 WeakPolarHBondContact O-CG1 3.32Å; R298-I302 PolarHBondContact O-N 2.81Å; D299-I302 PolarHBondContact O-N 2.84Å; I302-I304 VanDerWaalsContact C-N 3.35Å; I302-I304 PolarHBondContact O-N 3.17Å; I302-N305 PolarHBondContact O-N 3.41Å; I302-E306 HydrophobicContact CG2-CG 4.07Å; I302-E306 WeakPolarHBondContact O-CB 3.44Å; I302-E306 VanDerWaalsContact O-CG 3.24Å; I302-E306 WeakPolarHBondContact O-CG 3.34Å; I302-E306 PolarHBondContact O-N 3.27Å
303L85.9Confident79.4Confident17 Ų1749 Ų499%0.08923%0.231CC..Hα-helixtrans-58.4-43.6175.4178.563.3000112.4E73 I74 V77 D299 R300 K307E73-L303 HydrophobicContact CB-CD1 3.89Å; E73-L303 HydrophobicContact CB-CD2 4.31Å; E73-L303 HydrophobicContact CG-CD1 3.8Å; E73-L303 HydrophobicContact CG-CD2 4.35Å; E73-L303 VanDerWaalsContact OE2-CD2 3.29Å; E73-L303 WeakPolarHBondContact OE2-CD2 3.42Å; I74-L303 HydrophobicContact CD1-CB 4.23Å; I74-L303 HydrophobicContact CG1-CB 3.67Å; I74-L303 HydrophobicContact CG1-CD1 3.91Å; I74-L303 HydrophobicContact CG1-CG 4.37Å; V77-L303 HydrophobicContact CG2-CD1 4.32Å; D299-L303 WeakPolarHBondContact O-CB 3.41Å; D299-L303 PolarHBondContact O-N 2.7Å; R300-L303 WeakPolarHBondContact O-CB 3.17Å; R300-L303 PolarHBondContact O-N 3.32Å; L303-K307 HydrophobicContact CD1-CD 4.34Å; L303-K307 HydrophobicContact CD1-CG 4.28Å; L303-K307 HydrophobicContact CG-CD 4.41Å; L303-K307 VanDerWaalsContact O-CB 3.3Å; L303-K307 WeakPolarHBondContact O-CB 3.36Å; L303-K307 WeakPolarHBondContact O-CG 3.19Å; L303-K307 PolarHBondContact O-N 2.71Å
304I86.3Confident80.8Confident11 Ų1149 Ų496%0.05623%0.23CC..Hα-helixtrans-59.1-52.3174.1-71164.7000109.8R300 L301 I302 E306 K307 E308 L342 A345 R346R300-I304 VanDerWaalsContact O-CG1 3.26Å; R300-I304 WeakPolarHBondContact O-CG1 3.32Å; R300-I304 PolarHBondContact O-N 2.94Å; L301-I304 PolarHBondContact O-N 3.48Å; I302-I304 VanDerWaalsContact C-N 3.35Å; I302-I304 PolarHBondContact O-N 3.17Å; I304-E306 PolarHBondContact O-N 2.85Å; I304-K307 PolarHBondContact O-N 3.3Å; I304-E308 WeakPolarHBondContact CG2-OE1 3.45Å; I304-E308 WeakPolarHBondContact O-CG 3.48Å; I304-E308 PolarHBondContact O-N 3.2Å; I304-L342 HydrophobicContact CB-CD2 4.39Å; I304-L342 HydrophobicContact CG2-CD2 3.99Å; I304-L342 WeakPolarHBondContact O-CD2 3.37Å; I304-A345 HydrophobicContact CD1-CB 3.84Å; I304-A345 HydrophobicContact CG1-CB 3.79Å; I304-R346 HydrophobicContact CG2-CG 4.46Å
305N89.2Confident82.1Confident68 Ų6850.6 Ų50.636%0.36424%0.236SC..Hα-helixtrans-61.6-43.5-179.9-177.187.4000112.9L301 I302 E308 E309L301-N305 PolarHBondContact O-N 2.92Å; I302-N305 PolarHBondContact O-N 3.41Å; N305-E308 WeakPolarHBondContact O-CB 3.38Å; N305-E308 PolarHBondContact O-N 2.9Å; N305-E309 PolarHBondContact ND2-OE1 2.97Å; N305-E309 PolarHBondContact O-N 3.33Å
306E90.8Very high82.7Confident19 Ų1952.9 Ų52.99%0.08924%0.24CC..Hα-helixtrans-67.5-36.6178.8-65.4-72.4164.100111.9I74 V77 K78 R81 I302 I304 E309 L310I74-E306 HydrophobicContact CG2-CG 4.39Å; V77-E306 HydrophobicContact CG1-CB 3.79Å; V77-E306 WeakPolarHBondContact CG1-O 3.4Å; K78-E306 WeakPolarHBondContact CE-OE1 3.39Å; K78-E306 IonicContact NZ-OE1 3.81Å; K78-E306 PolarHBondContact NZ-OE1 3.41Å; K78-E306 IonicContact NZ-OE2 3.99Å; K78-E306 PolarHBondContact NZ-OE2 3.04Å; K78-E306 VanDerWaalsContact NZ-OE2 3.15Å; R81-E306 IonicContact CZ-OE2 2.82Å; R81-E306 IonicContact NH1-OE2 3.83Å; R81-E306 PolarHBondContact NH1-OE2 3.44Å; I302-E306 HydrophobicContact CG2-CG 4.07Å; I302-E306 WeakPolarHBondContact O-CB 3.44Å; I302-E306 VanDerWaalsContact O-CG 3.24Å; I302-E306 WeakPolarHBondContact O-CG 3.34Å; I302-E306 PolarHBondContact O-N 3.27Å; I304-E306 PolarHBondContact O-N 2.85Å; E306-E309 PolarHBondContact O-N 2.88Å; E306-L310 WeakPolarHBondContact O-CB 3.42Å; E306-L310 PolarHBondContact O-N 2.92Å
307K88.7Confident82.9Confident26 Ų2653 Ų5311%0.11324%0.24CC..Hα-helixtrans-66.7-37.3170.5-80.4-175.5176.3-176.50112.1E73 V77 L303 I304 L310 L311 L338 L342E73-K307 WeakPolarHBondContact OE1-CE 3.28Å; E73-K307 IonicContact OE1-NZ 3.8Å; E73-K307 PolarHBondContact OE1-NZ 3.33Å; V77-K307 HydrophobicContact CG1-CG 4.48Å; V77-K307 HydrophobicContact CG2-CG 3.92Å; L303-K307 HydrophobicContact CD1-CD 4.34Å; L303-K307 HydrophobicContact CD1-CG 4.28Å; L303-K307 HydrophobicContact CG-CD 4.41Å; L303-K307 VanDerWaalsContact O-CB 3.3Å; L303-K307 WeakPolarHBondContact O-CB 3.36Å; L303-K307 WeakPolarHBondContact O-CG 3.19Å; L303-K307 PolarHBondContact O-N 2.71Å; I304-K307 PolarHBondContact O-N 3.3Å; K307-L310 PolarHBondContact O-N 3.36Å; K307-L311 VanDerWaalsContact O-CB 3.29Å; K307-L311 WeakPolarHBondContact O-CB 3.26Å; K307-L311 PolarHBondContact O-N 3.34Å; K307-L338 HydrophobicContact CD-CD2 4.39Å; K307-L342 HydrophobicContact CB-CD1 4.34Å; K307-L342 HydrophobicContact CB-CD2 3.69Å; K307-L342 HydrophobicContact CB-CG 4.18Å
308E87.9Confident82.4Confident38 Ų3854.7 Ų54.718%0.17826%0.256CS..Hα-helixtrans-66.7-36.2173.6-75.4-174.2-153.500112.5I304 N305 K312 L342 R346I304-E308 WeakPolarHBondContact CG2-OE1 3.45Å; I304-E308 WeakPolarHBondContact O-CG 3.48Å; I304-E308 PolarHBondContact O-N 3.2Å; N305-E308 WeakPolarHBondContact O-CB 3.38Å; N305-E308 PolarHBondContact O-N 2.9Å; E308-K312 WeakPolarHBondContact O-CD 3.38Å; E308-K312 WeakPolarHBondContact O-CE 3.24Å; E308-K312 WeakPolarHBondContact O-CG 3.06Å; E308-K312 PolarHBondContact O-N 3.07Å; E308-K312 VanDerWaalsContact O-N 3.1Å; E308-L342 HydrophobicContact CG-CD1 3.82Å; E308-L342 HydrophobicContact CG-CD2 3.76Å; E308-L342 HydrophobicContact CG-CG 4.4Å; E308-R346 IonicContact OE1-CZ 2.67Å; E308-R346 VanDerWaalsContact OE1-CZ 3.27Å; E308-R346 IonicContact OE1-NE 2.76Å; E308-R346 PolarHBondContact OE1-NE 3.4Å; E308-R346 IonicContact OE1-NH2 3.2Å; E308-R346 PolarHBondContact OE1-NH2 3.15Å; E308-R346 IonicContact OE2-NH2 3.82Å; E308-R346 PolarHBondContact OE2-NH2 3.29Å
309E87.3Confident81.3Confident62 Ų6252.9 Ų52.929%0.2926%0.263SS..Hα-helixtrans-72.5-40.2173.6-73.6-176.7-13900112.2R81 N305 E306 L311 K312 E313R81-E309 IonicContact CZ-OE2 3.45Å; R81-E309 IonicContact NH1-OE2 3.07Å; R81-E309 PolarHBondContact NH1-OE2 3.46Å; R81-E309 IonicContact NH2-OE2 2.81Å; R81-E309 PolarHBondContact NH2-OE2 3.34Å; N305-E309 PolarHBondContact ND2-OE1 2.97Å; N305-E309 PolarHBondContact O-N 3.33Å; E306-E309 PolarHBondContact O-N 2.88Å; E309-L311 VanDerWaalsContact C-N 3.31Å; E309-L311 PolarHBondContact O-N 3.3Å; E309-K312 PolarHBondContact O-N 3.01Å; E309-E313 WeakPolarHBondContact O-CG 3.19Å; E309-E313 PolarHBondContact O-N 2.96Å
310L86.4Confident79.9Confident4 Ų456.9 Ų56.92%0.02128%0.278CS..Hα-helixtrans-58.2-43.9170175.263.9000111.1V77 Q80 R81 L84 E306 K307 K312 E313 L314 L338V77-L310 HydrophobicContact CG1-CB 4.11Å; V77-L310 HydrophobicContact CG1-CD2 4.09Å; Q80-L310 HydrophobicContact CB-CD1 4.14Å; Q80-L310 VanDerWaalsContact OE1-CD2 3.26Å; R81-L310 HydrophobicContact CG-CB 3.85Å; R81-L310 HydrophobicContact CG-CD1 3.85Å; R81-L310 HydrophobicContact CG-CG 4.41Å; L84-L310 HydrophobicContact CD1-CD1 3.7Å; E306-L310 WeakPolarHBondContact O-CB 3.42Å; E306-L310 PolarHBondContact O-N 2.92Å; K307-L310 PolarHBondContact O-N 3.36Å; L310-K312 PolarHBondContact O-N 2.84Å; L310-E313 PolarHBondContact O-N 3.44Å; L310-L314 HydrophobicContact CD1-CD1 4.16Å; L310-L314 HydrophobicContact CD1-CG 4.13Å; L310-L314 HydrophobicContact CG-CD1 3.94Å; L310-L314 HydrophobicContact CG-CG 4.36Å; L310-L314 VanDerWaalsContact O-CG 3.28Å; L310-L314 WeakPolarHBondContact O-CG 3.47Å; L310-L314 PolarHBondContact O-N 3.48Å; L310-L338 HydrophobicContact CD2-CD1 4.25Å
311L87.5Confident78.6Confident19 Ų1955.6 Ų55.610%0.09928%0.275CS..Hα-helixtrans-59.5-44.6176.7-17968.8000111.8K307 E309 E313 L314 Q315 K335 L338 E339 L342K307-L311 VanDerWaalsContact O-CB 3.29Å; K307-L311 WeakPolarHBondContact O-CB 3.26Å; K307-L311 PolarHBondContact O-N 3.34Å; E309-L311 VanDerWaalsContact C-N 3.31Å; E309-L311 PolarHBondContact O-N 3.3Å; L311-E313 VanDerWaalsContact C-N 3.34Å; L311-L314 PolarHBondContact O-N 2.65Å; L311-Q315 WeakPolarHBondContact O-CB 3.33Å; L311-Q315 VanDerWaalsContact O-CG 3.25Å; L311-Q315 WeakPolarHBondContact O-CG 3.44Å; L311-Q315 PolarHBondContact O-N 2.88Å; L311-K335 HydrophobicContact CD1-CB 4.34Å; L311-K335 HydrophobicContact CD1-CG 3.64Å; L311-L338 HydrophobicContact CD1-CB 4.33Å; L311-E339 HydrophobicContact CD1-CG 3.8Å; L311-E339 HydrophobicContact CD2-CG 3.58Å; L311-E339 HydrophobicContact CG-CG 4.33Å; L311-L342 HydrophobicContact CD2-CD1 3.96Å
312K86.6Confident76.8Confident111 Ų11163.6 Ų63.648%0.48330%0.299SS..Hα-helixtrans-62.2-40.9175.2-68.7158.7-162.9160.30111.6E308 E309 L310 Q315 Y316E308-K312 WeakPolarHBondContact O-CD 3.38Å; E308-K312 WeakPolarHBondContact O-CE 3.24Å; E308-K312 WeakPolarHBondContact O-CG 3.06Å; E308-K312 PolarHBondContact O-N 3.07Å; E308-K312 VanDerWaalsContact O-N 3.1Å; E309-K312 PolarHBondContact O-N 3.01Å; L310-K312 PolarHBondContact O-N 2.84Å; K312-Q315 PolarHBondContact O-N 3.06Å; K312-Y316 WeakPolarHBondContact O-CB 3.5Å; K312-Y316 PolarHBondContact O-N 3.17Å
313E85.4Confident75.5Confident22 Ų2264 Ų6410%0.10330%0.302CS..Hα-helixtrans-66.9-43.5177.7-72.4172.5166.400111.6R81 L84 R131 E309 L310 L311 Q315 Y316 V317R81-E313 WeakPolarHBondContact CB-OE2 3.28Å; R81-E313 VanDerWaalsContact CG-OE2 3.23Å; R81-E313 WeakPolarHBondContact CG-OE2 3.32Å; R81-E313 IonicContact CZ-OE1 3.8Å; R81-E313 IonicContact CZ-OE2 2.76Å; R81-E313 IonicContact NE-OE1 3.06Å; R81-E313 IonicContact NE-OE2 2.73Å; R81-E313 PolarHBondContact NE-OE2 3.04Å; R81-E313 IonicContact NH2-OE1 2.71Å; R81-E313 PolarHBondContact NH2-OE1 3.47Å; R81-E313 IonicContact NH2-OE2 3.75Å; L84-E313 HydrophobicContact CD1-CB 4.05Å; R131-E313 IonicContact CZ-OE1 2.68Å; R131-E313 VanDerWaalsContact NH1-CD 3.31Å; R131-E313 IonicContact NH1-OE1 3.53Å; R131-E313 PolarHBondContact NH1-OE1 3.04Å; E309-E313 WeakPolarHBondContact O-CG 3.19Å; E309-E313 PolarHBondContact O-N 2.96Å; L310-E313 PolarHBondContact O-N 3.44Å; L311-E313 VanDerWaalsContact C-N 3.34Å; E313-Q315 PolarHBondContact O-N 3.22Å; E313-Y316 PolarHBondContact O-N 3.06Å; E313-Y316 VanDerWaalsContact O-N 3.16Å; E313-V317 WeakPolarHBondContact O-CG2 3.22Å; E313-V317 PolarHBondContact O-N 2.96Å; E313-V317 VanDerWaalsContact O-N 3.14Å
314L83Confident74.2Confident24 Ų2469.9 Ų69.913%0.12633%0.329CS..Hα-helixtrans-62.2-41.6173.4-67.2168000112.1L84 L310 L311 Y316 V317 L331 L338L84-L314 HydrophobicContact CD1-CD2 3.8Å; L84-L314 HydrophobicContact CD1-CG 4.12Å; L84-L314 HydrophobicContact CD2-CD2 4.41Å; L310-L314 HydrophobicContact CD1-CD1 4.16Å; L310-L314 HydrophobicContact CD1-CG 4.13Å; L310-L314 HydrophobicContact CG-CD1 3.94Å; L310-L314 HydrophobicContact CG-CG 4.36Å; L310-L314 VanDerWaalsContact O-CG 3.28Å; L310-L314 WeakPolarHBondContact O-CG 3.47Å; L310-L314 PolarHBondContact O-N 3.48Å; L311-L314 PolarHBondContact O-N 2.65Å; L314-Y316 VanDerWaalsContact C-N 3.29Å; L314-Y316 PolarHBondContact O-N 2.96Å; L314-V317 PolarHBondContact O-N 3.26Å; L314-L331 HydrophobicContact CD2-CD1 3.75Å; L314-L338 HydrophobicContact CD1-CD1 3.73Å
315Q82.6Confident73.1Confident87 Ų8774 Ų7441%0.40736%0.356SS..Hα-helixtrans-62.7-33.6174.2-73.8174.93.400112.1L311 K312 E313 P319 K335 E339L311-Q315 WeakPolarHBondContact O-CB 3.33Å; L311-Q315 VanDerWaalsContact O-CG 3.25Å; L311-Q315 WeakPolarHBondContact O-CG 3.44Å; L311-Q315 PolarHBondContact O-N 2.88Å; K312-Q315 PolarHBondContact O-N 3.06Å; E313-Q315 PolarHBondContact O-N 3.22Å; Q315-P319 WeakPolarHBondContact O-CD 3.38Å; Q315-K335 HydrophobicContact CG-CD 4.17Å; Q315-E339 PolarHBondContact NE2-OE1 2.9Å; Q315-E339 VanDerWaalsContact NE2-OE1 3.07Å
316Y73Confident72.1Confident124 Ų12475.5 Ų75.549%0.48636%0.364SS..Hα-helixtrans-78.4-21.9178.9-163.4-100.3000114.4K312 E313 L314 P319 R320K312-Y316 WeakPolarHBondContact O-CB 3.5Å; K312-Y316 PolarHBondContact O-N 3.17Å; E313-Y316 PolarHBondContact O-N 3.06Å; E313-Y316 VanDerWaalsContact O-N 3.16Å; L314-Y316 VanDerWaalsContact C-N 3.29Å; L314-Y316 PolarHBondContact O-N 2.96Å; Y316-P319 WeakPolarHBondContact O-CD 3.46Å; Y316-R320 PolarHBondContact OH-NH2 3.02Å
317V68.8Low71.1Confident33 Ų3378.2 Ų78.220%0.238%0.38CS..Hα-helixtrans-69.6-36174.8169.20000111.8L84 E313 L314 R320L84-V317 HydrophobicContact CD2-CG2 4.39Å; E313-V317 WeakPolarHBondContact O-CG2 3.22Å; E313-V317 PolarHBondContact O-N 2.96Å; E313-V317 VanDerWaalsContact O-N 3.14Å; L314-V317 PolarHBondContact O-N 3.26Å; V317-R320 PolarHBondContact O-N 3.46Å
318S55.9Low70.4Confident74 Ų7479 Ų7952%0.51739%0.391SS..G310 helixtrans-53.8-47.5-174-178.30000115.1R320S318-R320 PolarHBondContact O-N 3.39Å
319P53.2Low70Confident108 Ų10883.8 Ų83.870%0.70141%0.413SS*.G310 helixtrans-76.8-15.6-171.7-17.433.5000115.5Q315 Y316Q315-P319 WeakPolarHBondContact O-CD 3.38Å; Y316-P319 WeakPolarHBondContact O-CD 3.46Å
320R50.7Low69.6Low93 Ų9386 Ų8635%0.35142%0.422SS..G310 helixtrans-90.2-10.1-173.2-70.5-166.6-178.3-151.83.9114E124 Y316 V317 S318E124-R320 IonicContact OE1-NH2 2.8Å; E124-R320 IonicContact OE2-CZ 3.86Å; E124-R320 IonicContact OE2-NH1 2.64Å; E124-R320 PolarHBondContact OE2-NH1 3.26Å; E124-R320 IonicContact OE2-NH2 2.97Å; E124-R320 PolarHBondContact OE2-NH2 3.31Å; Y316-R320 PolarHBondContact OH-NH2 3.02Å; V317-R320 PolarHBondContact O-N 3.46Å; S318-R320 PolarHBondContact O-N 3.39Å
321K52.4Low69Low85 Ų8587.8 Ų87.837%0.3743%0.431SS..  trans-129.2145.1179.7-80.1177.3173.2160.60112.8L323K321-L323 HydrophobicContact CB-CD1 3.63Å; K321-L323 HydrophobicContact CD-CD1 3.74Å; K321-L323 HydrophobicContact CG-CD1 4.33Å; K321-L323 PolarHBondContact O-N 2.8Å
322R46Very low68.8Low256 Ų25689.9 Ų89.997%0.96644%0.44SS*.  trans-76.295.4150-57.2-175.3-156.7172.87.3106.3
323L57.6Low68.7Low64 Ų6488.2 Ų88.234%0.33544%0.44SS..  trans-73.3152.5169-115.364.3000109.5K321 D327 A328 L331K321-L323 HydrophobicContact CB-CD1 3.63Å; K321-L323 HydrophobicContact CD-CD1 3.74Å; K321-L323 HydrophobicContact CG-CD1 4.33Å; K321-L323 PolarHBondContact O-N 2.8Å; L323-D327 HydrophobicContact CD2-CB 4.18Å; L323-A328 HydrophobicContact CB-CB 4.13Å; L323-A328 HydrophobicContact CD2-CB 4.48Å; L323-L331 HydrophobicContact CD2-CD2 4.39Å
324E59.4Low68.5Low140 Ų14091 Ų9165%0.65445%0.453SS*.  trans-59.5138.2162.6-75.2-59.7136.200109.1N326 D327 A328E324-N326 PolarHBondContact O-N 3.11Å; E324-N326 VanDerWaalsContact O-N 3.14Å; E324-D327 PolarHBondContact O-N 2.89Å; E324-A328 PolarHBondContact O-N 2.58Å
325P63Low68.6Low97 Ų9792 Ų9263%0.6346%0.456SS*.Hα-helixtrans-61.2-32-168.822.4-32.7000112.8D327 A328 E329P325-D327 PolarHBondContact O-N 3.35Å; P325-A328 PolarHBondContact O-N 2.64Å; P325-E329 WeakPolarHBondContact O-CB 3.42Å; P325-E329 PolarHBondContact O-N 2.94Å
326N66.9Low68.8Low100 Ų10092.9 Ų92.954%0.53546%0.458SS..Hα-helixtrans-62.2-40176.7-166.5-56.6000112.1E324 K330E324-N326 PolarHBondContact O-N 3.11Å; E324-N326 VanDerWaalsContact O-N 3.14Å; N326-K330 WeakPolarHBondContact O-CG 3.26Å; N326-K330 PolarHBondContact O-N 2.83Å; N326-K330 WeakPolarHBondContact OD1-CE 3.41Å; N326-K330 PolarHBondContact OD1-NZ 3.44Å
327D71.2Confident69.6Low76 Ų7692.5 Ų92.541%0.40646%0.456SS..Hα-helixtrans-81.8-30.1178.5-67.3-24.6000112.4L323 E324 P325 E329 K330 L331L323-D327 HydrophobicContact CD2-CB 4.18Å; E324-D327 PolarHBondContact O-N 2.89Å; P325-D327 PolarHBondContact O-N 3.35Å; D327-E329 VanDerWaalsContact C-N 3.34Å; D327-K330 IonicContact OD1-NZ 2.65Å; D327-K330 PolarHBondContact OD1-NZ 3.4Å; D327-L331 WeakPolarHBondContact O-CB 3.46Å; D327-L331 PolarHBondContact O-N 2.86Å
328A73.2Confident70.4Confident42 Ų4291.9 Ų91.935%0.34745%0.451SS..Hα-helixtrans-64.3-39.7170.300000111.7L323 E324 P325 L331 E332L323-A328 HydrophobicContact CB-CB 4.13Å; L323-A328 HydrophobicContact CD2-CB 4.48Å; E324-A328 PolarHBondContact O-N 2.58Å; P325-A328 PolarHBondContact O-N 2.64Å; A328-L331 PolarHBondContact O-N 3.32Å; A328-E332 WeakPolarHBondContact O-CB 3.41Å; A328-E332 PolarHBondContact O-N 2.82Å
329E78.8Confident72Confident139 Ų13991.6 Ų91.665%0.6544%0.442SS*.Hα-helixtrans-66.7-46.7176.6-174163.4-145.300111.7P325 D327 L331 E332 T333P325-E329 WeakPolarHBondContact O-CB 3.42Å; P325-E329 PolarHBondContact O-N 2.94Å; D327-E329 VanDerWaalsContact C-N 3.34Å; E329-L331 VanDerWaalsContact C-N 3.33Å; E329-L331 PolarHBondContact O-N 2.65Å; E329-E332 PolarHBondContact O-N 2.97Å; E329-T333 WeakPolarHBondContact O-CG2 3.15Å; E329-T333 PolarHBondContact O-N 3.26Å; E329-T333 PolarHBondContact O-OG1 2.86Å
330K79.7Confident73.7Confident107 Ų10793.7 Ų93.747%0.46544%0.436SS..Hα-helixtrans-52.5-50.6171.4-70.7168.4-161.1148.30111.6N326 D327 E332 T333 E334N326-K330 WeakPolarHBondContact O-CG 3.26Å; N326-K330 PolarHBondContact O-N 2.83Å; N326-K330 WeakPolarHBondContact OD1-CE 3.41Å; N326-K330 PolarHBondContact OD1-NZ 3.44Å; D327-K330 IonicContact OD1-NZ 2.65Å; D327-K330 PolarHBondContact OD1-NZ 3.4Å; K330-E332 VanDerWaalsContact C-N 3.32Å; K330-E332 PolarHBondContact O-N 3.14Å; K330-T333 PolarHBondContact O-N 3.01Å; K330-T333 VanDerWaalsContact O-N 3.12Å; K330-T333 PolarHBondContact O-OG1 3.36Å; K330-E334 PolarHBondContact O-N 2.84Å
331L74.9Confident75.3Confident42 Ų4292 Ų9222%0.2243%0.434CS..Hα-helixtrans-58.7-42.8-179.3-169.670.6000111.9L314 L323 D327 A328 E329 K335L314-L331 HydrophobicContact CD2-CD1 3.75Å; L323-L331 HydrophobicContact CD2-CD2 4.39Å; D327-L331 WeakPolarHBondContact O-CB 3.46Å; D327-L331 PolarHBondContact O-N 2.86Å; A328-L331 PolarHBondContact O-N 3.32Å; E329-L331 VanDerWaalsContact C-N 3.33Å; E329-L331 PolarHBondContact O-N 2.65Å; L331-K335 VanDerWaalsContact O-CB 3.24Å; L331-K335 WeakPolarHBondContact O-CB 3.27Å; L331-K335 PolarHBondContact O-N 3.05Å
332E81.9Confident77.1Confident63 Ų6388.1 Ų88.129%0.29442%0.417SS..Hα-helixtrans-71.3-30.5177.5-174.565.3-157.500112.5A328 E329 K330 K335 K336A328-E332 WeakPolarHBondContact O-CB 3.41Å; A328-E332 PolarHBondContact O-N 2.82Å; E329-E332 PolarHBondContact O-N 2.97Å; K330-E332 VanDerWaalsContact C-N 3.32Å; K330-E332 PolarHBondContact O-N 3.14Å; E332-K335 IonicContact OE1-NZ 3.88Å; E332-K335 PolarHBondContact OE1-NZ 3.11Å; E332-K335 WeakPolarHBondContact OE2-CD 3.44Å; E332-K335 IonicContact OE2-NZ 3.72Å; E332-K335 PolarHBondContact OE2-NZ 3.26Å; E332-K336 HydrophobicContact CG-CD 4.24Å; E332-K336 WeakPolarHBondContact O-CB 3.5Å; E332-K336 WeakPolarHBondContact O-CD 3.44Å; E332-K336 VanDerWaalsContact O-CG 3.26Å; E332-K336 WeakPolarHBondContact O-CG 3.35Å; E332-K336 PolarHBondContact O-N 3.45Å; E332-K336 WeakPolarHBondContact OE1-CE 3.43Å; E332-K336 IonicContact OE1-NZ 2.71Å; E332-K336 PolarHBondContact OE1-NZ 2.83Å
333T84.3Confident79.1Confident77 Ų7780.1 Ų80.147%0.47239%0.391SS..Hα-helixtrans-70.2-43.4172.660.20000112.8E329 K330 K336 R337E329-T333 WeakPolarHBondContact O-CG2 3.15Å; E329-T333 PolarHBondContact O-N 3.26Å; E329-T333 PolarHBondContact O-OG1 2.86Å; K330-T333 PolarHBondContact O-N 3.01Å; K330-T333 VanDerWaalsContact O-N 3.12Å; K330-T333 PolarHBondContact O-OG1 3.36Å; T333-K336 PolarHBondContact O-N 3.06Å; T333-R337 WeakPolarHBondContact O-CB 3.37Å; T333-R337 PolarHBondContact O-N 3.46Å
334E82.2Confident80.4Confident80 Ų8079.3 Ų79.337%0.37439%0.393SS..Hα-helixtrans-67-39.6175.4-81.4-61.8142.400111.8K330 R337 L338K330-E334 PolarHBondContact O-N 2.84Å; E334-R337 VanDerWaalsContact CD-NH1 3.28Å; E334-R337 WeakPolarHBondContact O-CB 3.46Å; E334-R337 PolarHBondContact O-N 3.39Å; E334-R337 IonicContact OE1-CZ 3.81Å; E334-R337 IonicContact OE1-NH1 2.81Å; E334-R337 PolarHBondContact OE1-NH1 3.48Å; E334-R337 WeakPolarHBondContact OE2-CD 3.47Å; E334-R337 IonicContact OE2-CZ 3.9Å; E334-R337 IonicContact OE2-NE 2.69Å; E334-R337 IonicContact OE2-NH1 3.94Å; E334-R337 PolarHBondContact OE2-NH1 3.09Å; E334-L338 WeakPolarHBondContact O-CB 3.45Å; E334-L338 WeakPolarHBondContact O-CG 3.27Å; E334-L338 PolarHBondContact O-N 3.02Å
335K84.3Confident81.6Confident44 Ų4474.2 Ų74.219%0.19138%0.375CS..Hα-helixtrans-55.8-52169.6176.4-164.7148.4-152.20111.7L311 Q315 L331 E332 R337 L338 E339L311-K335 HydrophobicContact CD1-CB 4.34Å; L311-K335 HydrophobicContact CD1-CG 3.64Å; Q315-K335 HydrophobicContact CG-CD 4.17Å; L331-K335 VanDerWaalsContact O-CB 3.24Å; L331-K335 WeakPolarHBondContact O-CB 3.27Å; L331-K335 PolarHBondContact O-N 3.05Å; E332-K335 IonicContact OE1-NZ 3.88Å; E332-K335 PolarHBondContact OE1-NZ 3.11Å; E332-K335 WeakPolarHBondContact OE2-CD 3.44Å; E332-K335 IonicContact OE2-NZ 3.72Å; E332-K335 PolarHBondContact OE2-NZ 3.26Å; K335-R337 PolarHBondContact O-N 3.31Å; K335-L338 PolarHBondContact O-N 3.1Å; K335-E339 WeakPolarHBondContact CE-OE1 3.21Å; K335-E339 WeakPolarHBondContact CG-OE1 3.31Å; K335-E339 WeakPolarHBondContact O-CB 3.39Å; K335-E339 WeakPolarHBondContact O-CG 3.38Å; K335-E339 PolarHBondContact O-N 2.83Å
336K87.6Confident82.6Confident106 Ų10674.5 Ų74.546%0.46136%0.364SS..Hα-helixtrans-64.6-25.1177.9-77.1167.4177153.70113.5E332 T333 R340E332-K336 HydrophobicContact CG-CD 4.24Å; E332-K336 WeakPolarHBondContact O-CB 3.5Å; E332-K336 WeakPolarHBondContact O-CD 3.44Å; E332-K336 VanDerWaalsContact O-CG 3.26Å; E332-K336 WeakPolarHBondContact O-CG 3.35Å; E332-K336 PolarHBondContact O-N 3.45Å; E332-K336 WeakPolarHBondContact OE1-CE 3.43Å; E332-K336 IonicContact OE1-NZ 2.71Å; E332-K336 PolarHBondContact OE1-NZ 2.83Å; T333-K336 PolarHBondContact O-N 3.06Å; K336-R340 WeakPolarHBondContact O-CG 3.14Å; K336-R340 PolarHBondContact O-N 3.18Å; K336-R340 PolarHBondContact O-NE 2.96Å
337R90.1Very high83.4Confident117 Ų11773 Ų7344%0.44236%0.356SS..Hα-helixtrans-72.3-55.2171.1172.9-173.7165.8-157.5-0.3110.3T333 E334 K335 E339 R340 D341T333-R337 WeakPolarHBondContact O-CB 3.37Å; T333-R337 PolarHBondContact O-N 3.46Å; E334-R337 VanDerWaalsContact CD-NH1 3.28Å; E334-R337 WeakPolarHBondContact O-CB 3.46Å; E334-R337 PolarHBondContact O-N 3.39Å; E334-R337 IonicContact OE1-CZ 3.81Å; E334-R337 IonicContact OE1-NH1 2.81Å; E334-R337 PolarHBondContact OE1-NH1 3.48Å; E334-R337 WeakPolarHBondContact OE2-CD 3.47Å; E334-R337 IonicContact OE2-CZ 3.9Å; E334-R337 IonicContact OE2-NE 2.69Å; E334-R337 IonicContact OE2-NH1 3.94Å; E334-R337 PolarHBondContact OE2-NH1 3.09Å; K335-R337 PolarHBondContact O-N 3.31Å; R337-E339 VanDerWaalsContact C-N 3.27Å; R337-E339 PolarHBondContact O-N 2.91Å; R337-R340 PolarHBondContact O-N 3.35Å; R337-D341 IonicContact NE-OD2 3.56Å; R337-D341 VanDerWaalsContact O-CG 3.24Å; R337-D341 PolarHBondContact O-N 3.49Å
338L85.9Confident84Confident19 Ų1973.7 Ų73.710%0.09936%0.359CS..Hα-helixtrans-55.5-40.6176.6-71.9172.4000112.3K307 L310 L311 L314 E334 K335 R340 D341 L342K307-L338 HydrophobicContact CD-CD2 4.39Å; L310-L338 HydrophobicContact CD2-CD1 4.25Å; L311-L338 HydrophobicContact CD1-CB 4.33Å; L314-L338 HydrophobicContact CD1-CD1 3.73Å; E334-L338 WeakPolarHBondContact O-CB 3.45Å; E334-L338 WeakPolarHBondContact O-CG 3.27Å; E334-L338 PolarHBondContact O-N 3.02Å; K335-L338 PolarHBondContact O-N 3.1Å; L338-R340 PolarHBondContact O-N 3.18Å; L338-D341 PolarHBondContact O-N 2.88Å; L338-L342 WeakPolarHBondContact O-CB 3.45Å; L338-L342 WeakPolarHBondContact O-CD1 3.39Å; L338-L342 WeakPolarHBondContact O-CG 3.46Å; L338-L342 PolarHBondContact O-N 3.42Å
339E89.1Confident84.4Confident69 Ų6973.6 Ų73.632%0.32235%0.352SS..Hα-helixtrans-60.8-41.3175.4-77.3166.1-178.700112.7L311 Q315 K335 R337 Q343L311-E339 HydrophobicContact CD1-CG 3.8Å; L311-E339 HydrophobicContact CD2-CG 3.58Å; L311-E339 HydrophobicContact CG-CG 4.33Å; Q315-E339 PolarHBondContact NE2-OE1 2.9Å; Q315-E339 VanDerWaalsContact NE2-OE1 3.07Å; K335-E339 WeakPolarHBondContact CE-OE1 3.21Å; K335-E339 WeakPolarHBondContact CG-OE1 3.31Å; K335-E339 WeakPolarHBondContact O-CB 3.39Å; K335-E339 WeakPolarHBondContact O-CG 3.38Å; K335-E339 PolarHBondContact O-N 2.83Å; R337-E339 VanDerWaalsContact C-N 3.27Å; R337-E339 PolarHBondContact O-N 2.91Å; E339-Q343 PolarHBondContact O-N 3.35Å; E339-Q343 VanDerWaalsContact O-N 3.15Å
340R87.7Confident84.5Confident152 Ų15269.9 Ų69.957%0.57434%0.341SS*.Hα-helixtrans-70.7-44.8175.1-77.5-179.2-76.3101.9-8.9112.3K336 R337 L338 L342 Q343 A344K336-R340 WeakPolarHBondContact O-CG 3.14Å; K336-R340 PolarHBondContact O-N 3.18Å; K336-R340 PolarHBondContact O-NE 2.96Å; R337-R340 PolarHBondContact O-N 3.35Å; L338-R340 PolarHBondContact O-N 3.18Å; R340-L342 VanDerWaalsContact C-N 3.3Å; R340-L342 PolarHBondContact O-N 2.89Å; R340-Q343 PolarHBondContact O-N 2.88Å; R340-A344 PolarHBondContact O-N 3.38Å
341D85.7Confident84.6Confident58 Ų5870.5 Ų70.531%0.3134%0.344SS..Hα-helixtrans-64.2-38.4-179-64.1-4.4000110.5R337 L338 A345R337-D341 IonicContact NE-OD2 3.56Å; R337-D341 VanDerWaalsContact O-CG 3.24Å; R337-D341 PolarHBondContact O-N 3.49Å; L338-D341 PolarHBondContact O-N 2.88Å; D341-A345 VanDerWaalsContact O-CB 3.29Å; D341-A345 WeakPolarHBondContact O-CB 3.41Å; D341-A345 PolarHBondContact O-N 2.98Å
342L88.8Confident84.8Confident3 Ų370.2 Ų70.22%0.01635%0.348CS..Hα-helixtrans-64.5-43.2172.4-80.1168.4000112.7I304 K307 E308 L311 L338 R340 A345 R346I304-L342 HydrophobicContact CB-CD2 4.39Å; I304-L342 HydrophobicContact CG2-CD2 3.99Å; I304-L342 WeakPolarHBondContact O-CD2 3.37Å; K307-L342 HydrophobicContact CB-CD1 4.34Å; K307-L342 HydrophobicContact CB-CD2 3.69Å; K307-L342 HydrophobicContact CB-CG 4.18Å; E308-L342 HydrophobicContact CG-CD1 3.82Å; E308-L342 HydrophobicContact CG-CD2 3.76Å; E308-L342 HydrophobicContact CG-CG 4.4Å; L311-L342 HydrophobicContact CD2-CD1 3.96Å; L338-L342 WeakPolarHBondContact O-CB 3.45Å; L338-L342 WeakPolarHBondContact O-CD1 3.39Å; L338-L342 WeakPolarHBondContact O-CG 3.46Å; L338-L342 PolarHBondContact O-N 3.42Å; R340-L342 VanDerWaalsContact C-N 3.3Å; R340-L342 PolarHBondContact O-N 2.89Å; L342-A345 PolarHBondContact O-N 2.82Å; L342-R346 VanDerWaalsContact O-CG 3.31Å; L342-R346 WeakPolarHBondContact O-CG 3.46Å; L342-R346 PolarHBondContact O-N 3.09Å
343Q87.9Confident84.6Confident87 Ų8771.5 Ų71.541%0.40736%0.356SS..Hα-helixtrans-65-45.3177.4-172.15741.700111.3E339 R340 A345 R346 D347E339-Q343 PolarHBondContact O-N 3.35Å; E339-Q343 VanDerWaalsContact O-N 3.15Å; R340-Q343 PolarHBondContact O-N 2.88Å; Q343-A345 VanDerWaalsContact C-N 3.29Å; Q343-A345 PolarHBondContact O-N 3.47Å; Q343-R346 PolarHBondContact O-N 2.89Å; Q343-D347 PolarHBondContact NE2-OD1 3.36Å; Q343-D347 VanDerWaalsContact O-CG 3.24Å; Q343-D347 PolarHBondContact O-N 3.32Å
344A86.3Confident84.3Confident47 Ų4771.2 Ų71.239%0.38836%0.357SS..Hα-helixtrans-60.6-37.8175.200000112.4R340 N348R340-A344 PolarHBondContact O-N 3.38Å; A344-N348 WeakPolarHBondContact O-CB 3.46Å; A344-N348 PolarHBondContact O-N 2.7Å; A344-N348 PolarHBondContact O-ND2 3.28Å
345A84.3Confident84.1Confident34 Ų3472.5 Ų72.528%0.28136%0.363SS..Hα-helixtrans-65.8-44.1175.500000112.5I304 D341 L342 Q343 N348 Q349I304-A345 HydrophobicContact CD1-CB 3.84Å; I304-A345 HydrophobicContact CG1-CB 3.79Å; D341-A345 VanDerWaalsContact O-CB 3.29Å; D341-A345 WeakPolarHBondContact O-CB 3.41Å; D341-A345 PolarHBondContact O-N 2.98Å; L342-A345 PolarHBondContact O-N 2.82Å; Q343-A345 VanDerWaalsContact C-N 3.29Å; Q343-A345 PolarHBondContact O-N 3.47Å; A345-N348 PolarHBondContact O-N 2.73Å; A345-Q349 WeakPolarHBondContact O-CB 3.45Å; A345-Q349 PolarHBondContact O-N 3.19Å
346R84.1Confident83.8Confident103 Ų10377.4 Ų77.439%0.38938%0.38SS..Hα-helixtrans-62.5-43.5174.2-70.7165.7176.8174.2-8112.1I304 E308 L342 Q343 N348 Q349 S350I304-R346 HydrophobicContact CG2-CG 4.46Å; E308-R346 IonicContact OE1-CZ 2.67Å; E308-R346 VanDerWaalsContact OE1-CZ 3.27Å; E308-R346 IonicContact OE1-NE 2.76Å; E308-R346 PolarHBondContact OE1-NE 3.4Å; E308-R346 IonicContact OE1-NH2 3.2Å; E308-R346 PolarHBondContact OE1-NH2 3.15Å; E308-R346 IonicContact OE2-NH2 3.82Å; E308-R346 PolarHBondContact OE2-NH2 3.29Å; L342-R346 VanDerWaalsContact O-CG 3.31Å; L342-R346 WeakPolarHBondContact O-CG 3.46Å; L342-R346 PolarHBondContact O-N 3.09Å; Q343-R346 PolarHBondContact O-N 2.89Å; R346-N348 VanDerWaalsContact C-N 3.32Å; R346-N348 PolarHBondContact O-N 3.3Å; R346-Q349 PolarHBondContact O-N 2.88Å; R346-S350 PolarHBondContact O-N 2.66Å
347D84.2Confident83.4Confident68 Ų6876.9 Ų76.936%0.36438%0.382SS..Hα-helixtrans-62.4-41.3177.5-68.2-13.9000110.9Q343 S350 K351Q343-D347 PolarHBondContact NE2-OD1 3.36Å; Q343-D347 VanDerWaalsContact O-CG 3.24Å; Q343-D347 PolarHBondContact O-N 3.32Å; D347-S350 PolarHBondContact O-N 3.02Å; D347-S350 PolarHBondContact O-OG 2.87Å; D347-K351 WeakPolarHBondContact O-CE 3.48Å; D347-K351 WeakPolarHBondContact O-CG 3.37Å; D347-K351 PolarHBondContact O-N 3.44Å
348N83.1Confident83.3Confident90 Ų9078.4 Ų78.448%0.48139%0.388SS..Hα-helixtrans-70.9-38.5177.2-70.5-20.1000112.7A344 A345 R346 S350 K351 A352A344-N348 WeakPolarHBondContact O-CB 3.46Å; A344-N348 PolarHBondContact O-N 2.7Å; A344-N348 PolarHBondContact O-ND2 3.28Å; A345-N348 PolarHBondContact O-N 2.73Å; R346-N348 VanDerWaalsContact C-N 3.32Å; R346-N348 PolarHBondContact O-N 3.3Å; N348-S350 VanDerWaalsContact C-N 3.33Å; N348-S350 PolarHBondContact O-N 3.39Å; N348-K351 PolarHBondContact O-N 2.81Å; N348-K351 PolarHBondContact OD1-NZ 3.48Å; N348-A352 PolarHBondContact O-N 3Å
349Q82Confident83.1Confident41 Ų4180.4 Ų80.419%0.19240%0.398CS..Hα-helixtrans-59-42.9169.7168.41599500111.7E297 A345 R346 K351 A352 L353E297-Q349 WeakPolarHBondContact OE1-CB 3.34Å; E297-Q349 VanDerWaalsContact OE1-CG 3.26Å; E297-Q349 WeakPolarHBondContact OE1-CG 3.39Å; E297-Q349 PolarHBondContact OE1-NE2 3.34Å; A345-Q349 WeakPolarHBondContact O-CB 3.45Å; A345-Q349 PolarHBondContact O-N 3.19Å; R346-Q349 PolarHBondContact O-N 2.88Å; Q349-K351 VanDerWaalsContact C-N 3.27Å; Q349-K351 PolarHBondContact O-N 2.95Å; Q349-A352 PolarHBondContact O-N 3.38Å; Q349-L353 WeakPolarHBondContact O-CB 3.44Å; Q349-L353 PolarHBondContact O-N 2.87Å
350S81.4Confident82.7Confident61 Ų6182 Ų8243%0.42741%0.406SS..Hα-helixtrans-60.6-36.6178.782.30000112.5R346 D347 N348 S354R346-S350 PolarHBondContact O-N 2.66Å; D347-S350 PolarHBondContact O-N 3.02Å; D347-S350 PolarHBondContact O-OG 2.87Å; N348-S350 VanDerWaalsContact C-N 3.33Å; N348-S350 PolarHBondContact O-N 3.39Å; S350-S354 WeakPolarHBondContact O-CB 3.48Å; S350-S354 PolarHBondContact O-N 3.33Å; S350-S354 PolarHBondContact O-OG 2.91Å
351K81.1Confident82.6Confident119 Ų11977.9 Ų77.952%0.51740%0.399SS..Hα-helixtrans-69.5-51.8175.8-62162.2-157.5162.40110.7D347 N348 Q349 L353 S354 E355D347-K351 WeakPolarHBondContact O-CE 3.48Å; D347-K351 WeakPolarHBondContact O-CG 3.37Å; D347-K351 PolarHBondContact O-N 3.44Å; N348-K351 PolarHBondContact O-N 2.81Å; N348-K351 PolarHBondContact OD1-NZ 3.48Å; Q349-K351 VanDerWaalsContact C-N 3.27Å; Q349-K351 PolarHBondContact O-N 2.95Å; K351-L353 VanDerWaalsContact C-N 3.33Å; K351-L353 PolarHBondContact O-N 3.03Å; K351-S354 WeakPolarHBondContact O-CB 3.34Å; K351-S354 PolarHBondContact O-N 3.36Å; K351-S354 VanDerWaalsContact O-N 3.1Å; K351-E355 PolarHBondContact O-N 3.19Å
352A78.6Confident82.8Confident36 Ų3679.9 Ų79.930%0.29841%0.406SS..Hα-helixtrans-60.1-41.1179.500000112.5N348 Q349 E355 R356N348-A352 PolarHBondContact O-N 3Å; Q349-A352 PolarHBondContact O-N 3.38Å; A352-E355 PolarHBondContact O-N 2.8Å; A352-R356 WeakPolarHBondContact O-CB 3.26Å; A352-R356 PolarHBondContact O-N 2.72Å
353L77.8Confident82.7Confident91 Ų9184 Ų8448%0.47642%0.421SS..Hα-helixtrans-64.6-41.1174.2-174.6150.8000111.4Q349 K351 R356 L357Q349-L353 WeakPolarHBondContact O-CB 3.44Å; Q349-L353 PolarHBondContact O-N 2.87Å; K351-L353 VanDerWaalsContact C-N 3.33Å; K351-L353 PolarHBondContact O-N 3.03Å; L353-R356 PolarHBondContact O-N 3.19Å; L353-L357 HydrophobicContact CD2-CD1 3.61Å; L353-L357 HydrophobicContact CD2-CG 4.1Å; L353-L357 WeakPolarHBondContact O-CB 3.46Å; L353-L357 WeakPolarHBondContact O-CG 3.24Å; L353-L357 PolarHBondContact O-N 3.04Å
354S77.3Confident82.8Confident71 Ų7182.6 Ų82.650%0.49742%0.421SS..Hα-helixtrans-63.8-41175.7-61.50000112.3S350 K351 L357 R358S350-S354 WeakPolarHBondContact O-CB 3.48Å; S350-S354 PolarHBondContact O-N 3.33Å; S350-S354 PolarHBondContact O-OG 2.91Å; K351-S354 WeakPolarHBondContact O-CB 3.34Å; K351-S354 PolarHBondContact O-N 3.36Å; K351-S354 VanDerWaalsContact O-N 3.1Å; S354-L357 PolarHBondContact O-N 3.47Å; S354-R358 WeakPolarHBondContact O-CB 3.44Å; S354-R358 PolarHBondContact O-N 3.39Å
355E79.3Confident83.1Confident106 Ų10685.6 Ų85.650%0.49543%0.427SS..Hα-helixtrans-68.6-40.8175.2-66.3-153.1111.800112.5K351 A352 R358 L359K351-E355 PolarHBondContact O-N 3.19Å; A352-E355 PolarHBondContact O-N 2.8Å; E355-R358 WeakPolarHBondContact O-CB 3.5Å; E355-R358 PolarHBondContact O-N 2.9Å; E355-R358 IonicContact OE1-CZ 3.79Å; E355-R358 IonicContact OE1-NH1 3.19Å; E355-R358 IonicContact OE1-NH2 3.35Å; E355-R358 PolarHBondContact OE1-NH2 2.88Å; E355-L359 WeakPolarHBondContact O-CG 3.39Å; E355-L359 PolarHBondContact O-N 3.42Å
356R78.4Confident83.5Confident147 Ų14784.5 Ų84.556%0.55542%0.416SS*.Hα-helixtrans-61.6-41173175.3174166.3155.7-3.1112D295 A352 L353 L359 H360D295-R356 IonicContact OD2-CZ 3.22Å; D295-R356 IonicContact OD2-NH1 3.06Å; D295-R356 PolarHBondContact OD2-NH1 2.93Å; D295-R356 IonicContact OD2-NH2 2.7Å; A352-R356 WeakPolarHBondContact O-CB 3.26Å; A352-R356 PolarHBondContact O-N 2.72Å; L353-R356 PolarHBondContact O-N 3.19Å; R356-L359 PolarHBondContact O-N 2.75Å; R356-H360 WeakPolarHBondContact O-CB 3.45Å; R356-H360 PolarHBondContact O-N 2.93Å
357L79.1Confident83.9Confident95 Ų9581.9 Ų81.950%0.49741%0.411SS..Hα-helixtrans-63.9-44.9173.1-76.7179.6000111.3L353 S354 L359 H360 C361L353-L357 HydrophobicContact CD2-CD1 3.61Å; L353-L357 HydrophobicContact CD2-CG 4.1Å; L353-L357 WeakPolarHBondContact O-CB 3.46Å; L353-L357 WeakPolarHBondContact O-CG 3.24Å; L353-L357 PolarHBondContact O-N 3.04Å; S354-L357 PolarHBondContact O-N 3.47Å; L357-L359 PolarHBondContact O-N 3.02Å; L357-H360 PolarHBondContact O-N 3.36Å; L357-C361 WeakPolarHBondContact O-CB 3.41Å; L357-C361 PolarHBondContact O-N 2.66Å; L357-C361 PolarHBondContact O-SG 2.78Å; L357-C361 VanDerWaalsContact O-SG 3.34Å
358R87Confident84.3Confident149 Ų14984.8 Ų84.856%0.56242%0.417SS*.Hα-helixtrans-56.9-45.9174.9179.6-170.664.7-175.3-9.8112S354 E355 C361 K362S354-R358 WeakPolarHBondContact O-CB 3.44Å; S354-R358 PolarHBondContact O-N 3.39Å; E355-R358 WeakPolarHBondContact O-CB 3.5Å; E355-R358 PolarHBondContact O-N 2.9Å; E355-R358 IonicContact OE1-CZ 3.79Å; E355-R358 IonicContact OE1-NH1 3.19Å; E355-R358 IonicContact OE1-NH2 3.35Å; E355-R358 PolarHBondContact OE1-NH2 2.88Å; R358-C361 PolarHBondContact O-N 3.21Å; R358-K362 WeakPolarHBondContact O-CB 3.31Å; R358-K362 PolarHBondContact O-N 3.03Å
359L81.1Confident84.8Confident61 Ų6184.3 Ų84.332%0.31941%0.412SS..Hα-helixtrans-66.1-39.7177-68169.9000111.6L285 E355 R356 L357 K362 R363L285-L359 HydrophobicContact CD2-CD2 3.94Å; E355-L359 WeakPolarHBondContact O-CG 3.39Å; E355-L359 PolarHBondContact O-N 3.42Å; R356-L359 PolarHBondContact O-N 2.75Å; L357-L359 PolarHBondContact O-N 3.02Å; L359-K362 PolarHBondContact O-N 3.19Å; L359-R363 WeakPolarHBondContact O-CB 3.1Å; L359-R363 PolarHBondContact O-N 3.25Å
360H82.1Confident85.4Confident103 Ų10384 Ų8448%0.47741%0.412SS..Hα-helixtrans-65.1-43.3175.4-173.5-78.2000112.5R356 L357 R363 S364R356-H360 WeakPolarHBondContact O-CB 3.45Å; R356-H360 PolarHBondContact O-N 2.93Å; L357-H360 PolarHBondContact O-N 3.36Å; H360-R363 WeakPolarHBondContact O-CB 3.17Å; H360-R363 PolarHBondContact O-N 3.39Å; H360-S364 PolarHBondContact CE1-OG 3.16Å; H360-S364 PolarHBondContact O-N 3.15Å; H360-S364 PolarHBondContact O-OG 3.48Å
361C85.5Confident85.9Confident65 Ų6586.3 Ų86.344%0.43942%0.416SS..Hα-helixtrans-58.8-49.2174.3-720000111.1L357 R358 R363 S364 E365L357-C361 WeakPolarHBondContact O-CB 3.41Å; L357-C361 PolarHBondContact O-N 2.66Å; L357-C361 PolarHBondContact O-SG 2.78Å; L357-C361 VanDerWaalsContact O-SG 3.34Å; R358-C361 PolarHBondContact O-N 3.21Å; C361-R363 VanDerWaalsContact C-N 3.28Å; C361-R363 PolarHBondContact O-N 3.37Å; C361-S364 CarbonylContact O-C 3.58Å; C361-S364 WeakPolarHBondContact O-CA 3.33Å; C361-S364 WeakPolarHBondContact O-CB 3.4Å; C361-S364 PolarHBondContact O-N 3.06Å; C361-E365 WeakPolarHBondContact O-CG 3.4Å; C361-E365 PolarHBondContact O-N 2.93Å
362K88.8Confident86.6Confident101 Ų10184 Ų8444%0.43941%0.407SS..Hα-helixtrans-58.5-38175.1-173.3-178.2177-173.80112.7L285 R358 L359 E365 L366L285-K362 HydrophobicContact CD1-CD 4.22Å; L285-K362 HydrophobicContact CD1-CG 4.14Å; L285-K362 HydrophobicContact CD2-CD 4.36Å; R358-K362 WeakPolarHBondContact O-CB 3.31Å; R358-K362 PolarHBondContact O-N 3.03Å; L359-K362 PolarHBondContact O-N 3.19Å; K362-E365 PolarHBondContact O-N 2.7Å; K362-L366 WeakPolarHBondContact O-CG 3.49Å; K362-L366 PolarHBondContact O-N 3.49Å
363R88.1Confident87.2Confident88 Ų8882.9 Ų82.933%0.33240%0.396SS..Hα-helixtrans-65.6-43.3173.6-174.8-176-173.7-88.5-3.8111.7L285 D286 L359 H360 C361 L366 V367L285-R363 HydrophobicContact CD1-CB 4.21Å; D286-R363 IonicContact OD1-CZ 3.64Å; D286-R363 IonicContact OD1-NE 3.76Å; D286-R363 PolarHBondContact OD1-NE 2.72Å; D286-R363 IonicContact OD1-NH2 2.74Å; D286-R363 PolarHBondContact OD1-NH2 3.3Å; D286-R363 IonicContact OD2-CZ 3.28Å; D286-R363 IonicContact OD2-NE 3.62Å; D286-R363 IonicContact OD2-NH2 2.7Å; D286-R363 PolarHBondContact OD2-NH2 3.34Å; L359-R363 WeakPolarHBondContact O-CB 3.1Å; L359-R363 PolarHBondContact O-N 3.25Å; H360-R363 WeakPolarHBondContact O-CB 3.17Å; H360-R363 PolarHBondContact O-N 3.39Å; C361-R363 VanDerWaalsContact C-N 3.28Å; C361-R363 PolarHBondContact O-N 3.37Å; R363-L366 PolarHBondContact O-N 2.7Å; R363-V367 WeakPolarHBondContact O-CB 3.47Å; R363-V367 VanDerWaalsContact O-CG2 3.29Å; R363-V367 WeakPolarHBondContact O-CG2 3.16Å; R363-V367 PolarHBondContact O-N 3.25Å
364S88.5Confident88Confident58 Ų5881.5 Ų81.541%0.40639%0.391SS..Hα-helixtrans-65.1-36.7174.6-66.90000112.8H360 C361 V367 R368H360-S364 PolarHBondContact CE1-OG 3.16Å; H360-S364 PolarHBondContact O-N 3.15Å; H360-S364 PolarHBondContact O-OG 3.48Å; C361-S364 CarbonylContact O-C 3.58Å; C361-S364 WeakPolarHBondContact O-CA 3.33Å; C361-S364 WeakPolarHBondContact O-CB 3.4Å; C361-S364 PolarHBondContact O-N 3.06Å; S364-V367 PolarHBondContact O-N 2.68Å; S364-R368 WeakPolarHBondContact O-CB 3.33Å; S364-R368 PolarHBondContact O-N 3.21Å
365E93.6Very high88.8Confident110 Ų11084.5 Ų84.551%0.51439%0.392SS..Hα-helixtrans-61.4-49.3172.3-72.6160.1-15400111.4C361 K362 V367 R368 E369C361-E365 WeakPolarHBondContact O-CG 3.4Å; C361-E365 PolarHBondContact O-N 2.93Å; K362-E365 PolarHBondContact O-N 2.7Å; E365-V367 PolarHBondContact O-N 3.29Å; E365-R368 PolarHBondContact O-N 2.86Å; E365-E369 PolarHBondContact O-N 2.73Å
366L91.7Very high89.5Confident12 Ų1284.4 Ų84.46%0.06339%0.394CS..Hα-helixtrans-64.5-37.9176.8-72.5168000112.5I278 Q281 I282 L285 K362 R363 E369 L370I278-L366 HydrophobicContact CG2-CB 4.2Å; I278-L366 HydrophobicContact CG2-CD2 4.26Å; I278-L366 VanDerWaalsContact CG2-O 3.23Å; I278-L366 WeakPolarHBondContact CG2-O 3.29Å; Q281-L366 HydrophobicContact CB-CD1 3.87Å; Q281-L366 HydrophobicContact CB-CD2 4.23Å; I282-L366 HydrophobicContact CD1-CB 4.13Å; I282-L366 HydrophobicContact CG1-CB 3.7Å; I282-L366 HydrophobicContact CG1-CD1 4.33Å; L285-L366 HydrophobicContact CD1-CD1 3.73Å; K362-L366 WeakPolarHBondContact O-CG 3.49Å; K362-L366 PolarHBondContact O-N 3.49Å; R363-L366 PolarHBondContact O-N 2.7Å; L366-E369 PolarHBondContact O-N 2.97Å; L366-L370 WeakPolarHBondContact O-CB 3.3Å; L366-L370 PolarHBondContact O-N 3.31Å
367V92.5Very high90.1Very high48 Ų4877.8 Ų77.829%0.29137%0.371SS..Hα-helixtrans-64.6-39.5173.6168.50000111.1I282 R363 S364 E365 L370 E371I282-V367 HydrophobicContact CD1-CG2 3.9Å; R363-V367 WeakPolarHBondContact O-CB 3.47Å; R363-V367 VanDerWaalsContact O-CG2 3.29Å; R363-V367 WeakPolarHBondContact O-CG2 3.16Å; R363-V367 PolarHBondContact O-N 3.25Å; S364-V367 PolarHBondContact O-N 2.68Å; E365-V367 PolarHBondContact O-N 3.29Å; V367-L370 WeakPolarHBondContact O-CB 3.24Å; V367-L370 PolarHBondContact O-N 2.98Å; V367-E371 WeakPolarHBondContact O-CG 3.45Å; V367-E371 PolarHBondContact O-N 2.74Å
368R93Very high90.7Very high128 Ų12876.8 Ų76.848%0.48337%0.369SS..Hα-helixtrans-65.4-41.4173.4-175.6179.958.571.42.9111.8S364 E365 L370 E371 E372S364-R368 WeakPolarHBondContact O-CB 3.33Å; S364-R368 PolarHBondContact O-N 3.21Å; E365-R368 PolarHBondContact O-N 2.86Å; R368-L370 VanDerWaalsContact C-N 3.3Å; R368-L370 PolarHBondContact O-N 3.22Å; R368-E371 PolarHBondContact O-N 3.25Å; R368-E372 WeakPolarHBondContact CG-OE1 3.42Å; R368-E372 IonicContact CZ-OE1 2.72Å; R368-E372 VanDerWaalsContact NH1-CD 3.35Å; R368-E372 IonicContact NH1-OE1 3.88Å; R368-E372 PolarHBondContact NH1-OE1 3.3Å; R368-E372 IonicContact NH1-OE2 3.98Å; R368-E372 PolarHBondContact NH1-OE2 3.47Å; R368-E372 WeakPolarHBondContact O-CB 3.5Å; R368-E372 WeakPolarHBondContact O-CG 3.39Å; R368-E372 PolarHBondContact O-N 2.66Å
369E94.8Very high91Very high81 Ų8171.9 Ų71.938%0.37936%0.357SS..Hα-helixtrans-64-36.1174-162.4-172.9165.900111.6I278 E365 L366 E372 T373I278-E369 HydrophobicContact CD1-CB 4.15Å; I278-E369 HydrophobicContact CD1-CG 3.7Å; E365-E369 PolarHBondContact O-N 2.73Å; L366-E369 PolarHBondContact O-N 2.97Å; E369-E372 PolarHBondContact O-N 3.08Å; E369-T373 HydrophobicContact CG-CG2 4.45Å; E369-T373 WeakPolarHBondContact O-CB 3.17Å; E369-T373 WeakPolarHBondContact O-CG2 3.4Å; E369-T373 PolarHBondContact O-N 3.48Å; E369-T373 PolarHBondContact O-OG1 2.73Å
370L93.3Very high91.5Very high35 Ų3570 Ų7018%0.18335%0.348CS..Hα-helixtrans-63.1-47.5173-172.462.9000111.1I275 I278 E279 I282 L366 V367 R368 E372 T373 V374I275-L370 HydrophobicContact CB-CD1 4.32Å; I275-L370 HydrophobicContact CG1-CD1 4.35Å; I275-L370 HydrophobicContact CG2-CD1 3.9Å; I278-L370 HydrophobicContact CB-CD1 4.39Å; I278-L370 HydrophobicContact CG2-CB 3.85Å; I278-L370 HydrophobicContact CG2-CD1 4.26Å; E279-L370 HydrophobicContact CG-CD1 4.02Å; E279-L370 HydrophobicContact CG-CD2 4.38Å; I282-L370 HydrophobicContact CD1-CD2 4.01Å; L366-L370 WeakPolarHBondContact O-CB 3.3Å; L366-L370 PolarHBondContact O-N 3.31Å; V367-L370 WeakPolarHBondContact O-CB 3.24Å; V367-L370 PolarHBondContact O-N 2.98Å; R368-L370 VanDerWaalsContact C-N 3.3Å; R368-L370 PolarHBondContact O-N 3.22Å; L370-E372 VanDerWaalsContact C-N 3.34Å; L370-E372 PolarHBondContact O-N 3.31Å; L370-T373 WeakPolarHBondContact CA-OG1 3.42Å; L370-T373 PolarHBondContact O-N 2.78Å; L370-T373 PolarHBondContact O-OG1 2.68Å; L370-V374 HydrophobicContact CD1-CG2 4.35Å; L370-V374 HydrophobicContact CG-CG2 4.48Å; L370-V374 VanDerWaalsContact O-CB 3.29Å; L370-V374 WeakPolarHBondContact O-CB 3.18Å; L370-V374 WeakPolarHBondContact O-CG2 3.36Å; L370-V374 PolarHBondContact O-N 3.46Å
371E93Very high91.8Very high109 Ų10968 Ų6851%0.50934%0.338SS..Hα-helixtrans-61.8-39.3175.5-72.9-179.9-171.500112.9V367 R368 R375V367-E371 WeakPolarHBondContact O-CG 3.45Å; V367-E371 PolarHBondContact O-N 2.74Å; R368-E371 PolarHBondContact O-N 3.25Å; E371-R375 WeakPolarHBondContact O-CB 3.36Å; E371-R375 WeakPolarHBondContact O-CG 3.38Å; E371-R375 PolarHBondContact O-N 2.71Å; E371-R375 PolarHBondContact O-NE 2.96Å; E371-R375 IonicContact OE2-NH2 3.48Å
372E94.4Very high92Very high71 Ų7169 Ų6933%0.33234%0.342SS..Hα-helixtrans-67.6-45.5176.7-73.7171.6-161.600111.3R368 E369 L370 R375 L376R368-E372 WeakPolarHBondContact CG-OE1 3.42Å; R368-E372 IonicContact CZ-OE1 2.72Å; R368-E372 VanDerWaalsContact NH1-CD 3.35Å; R368-E372 IonicContact NH1-OE1 3.88Å; R368-E372 PolarHBondContact NH1-OE1 3.3Å; R368-E372 IonicContact NH1-OE2 3.98Å; R368-E372 PolarHBondContact NH1-OE2 3.47Å; R368-E372 WeakPolarHBondContact O-CB 3.5Å; R368-E372 WeakPolarHBondContact O-CG 3.39Å; R368-E372 PolarHBondContact O-N 2.66Å; E369-E372 PolarHBondContact O-N 3.08Å; L370-E372 VanDerWaalsContact C-N 3.34Å; L370-E372 PolarHBondContact O-N 3.31Å; E372-R375 VanDerWaalsContact CG-NH2 3.3Å; E372-R375 PolarHBondContact O-N 3.34Å; E372-L376 WeakPolarHBondContact O-CG 3.46Å; E372-L376 PolarHBondContact O-N 2.85Å
373T92.3Very high91.9Very high11 Ų1168.2 Ų68.27%0.06734%0.34CS..Hα-helixtrans-70.3-32.817852.50000113R274 I278 E369 L370 L376 A377R274-T373 HydrophobicContact CB-CG2 4.35Å; I278-T373 HydrophobicContact CD1-CG2 4Å; E369-T373 HydrophobicContact CG-CG2 4.45Å; E369-T373 WeakPolarHBondContact O-CB 3.17Å; E369-T373 WeakPolarHBondContact O-CG2 3.4Å; E369-T373 PolarHBondContact O-N 3.48Å; E369-T373 PolarHBondContact O-OG1 2.73Å; L370-T373 WeakPolarHBondContact CA-OG1 3.42Å; L370-T373 PolarHBondContact O-N 2.78Å; L370-T373 PolarHBondContact O-OG1 2.68Å; T373-L376 PolarHBondContact O-N 3.37Å; T373-A377 WeakPolarHBondContact O-CB 3.47Å; T373-A377 PolarHBondContact O-N 2.76Å
374V93.9Very high91.8Very high63 Ų6365.9 Ų65.938%0.38233%0.334SS..Hα-helixtrans-67.7-40.7170.8169.10000111.5I275 L370 L376 A377 T378I275-V374 HydrophobicContact CD1-CG2 3.82Å; I275-V374 HydrophobicContact CG1-CG2 4.04Å; L370-V374 HydrophobicContact CD1-CG2 4.35Å; L370-V374 HydrophobicContact CG-CG2 4.48Å; L370-V374 VanDerWaalsContact O-CB 3.29Å; L370-V374 WeakPolarHBondContact O-CB 3.18Å; L370-V374 WeakPolarHBondContact O-CG2 3.36Å; L370-V374 PolarHBondContact O-N 3.46Å; V374-L376 VanDerWaalsContact C-N 3.35Å; V374-L376 PolarHBondContact O-N 3.29Å; V374-A377 PolarHBondContact O-N 3.39Å; V374-T378 WeakPolarHBondContact O-CG2 3.32Å; V374-T378 PolarHBondContact O-N 2.91Å; V374-T378 PolarHBondContact O-OG1 3.31Å
375R93.7Very high91.5Very high134 Ų13470.7 Ų70.751%0.50634%0.343SS..Hα-helixtrans-60.5-41.4171.5-81.1177.6-84135.5-12.1112.2E371 E372 T378 S379E371-R375 WeakPolarHBondContact O-CB 3.36Å; E371-R375 WeakPolarHBondContact O-CG 3.38Å; E371-R375 PolarHBondContact O-N 2.71Å; E371-R375 PolarHBondContact O-NE 2.96Å; E371-R375 IonicContact OE2-NH2 3.48Å; E372-R375 VanDerWaalsContact CG-NH2 3.3Å; E372-R375 PolarHBondContact O-N 3.34Å; R375-T378 WeakPolarHBondContact CA-OG1 3.43Å; R375-T378 PolarHBondContact O-OG1 2.93Å; R375-S379 PolarHBondContact O-N 3.1Å; R375-S379 VanDerWaalsContact O-N 3.11Å; R375-S379 PolarHBondContact O-OG 2.82Å
376L93.7Very high91Very high103 Ų10368.7 Ų68.754%0.53934%0.342SS..Hα-helixtrans-69-38.4174.3-68.2170.6000113E372 T373 V374 T378 S379 L380E372-L376 WeakPolarHBondContact O-CG 3.46Å; E372-L376 PolarHBondContact O-N 2.85Å; T373-L376 PolarHBondContact O-N 3.37Å; V374-L376 VanDerWaalsContact C-N 3.35Å; V374-L376 PolarHBondContact O-N 3.29Å; L376-T378 VanDerWaalsContact C-N 3.34Å; L376-S379 PolarHBondContact O-OG 3.34Å; L376-S379 VanDerWaalsContact O-OG 3.08Å; L376-L380 WeakPolarHBondContact O-CB 3.42Å; L376-L380 WeakPolarHBondContact O-CD1 3.44Å; L376-L380 WeakPolarHBondContact O-CG 3.33Å; L376-L380 PolarHBondContact O-N 3.04Å
377A92.5Very high90.3Very high8 Ų870.5 Ų70.57%0.06635%0.351CS..Hα-helixtrans-66.2-38.1176.600000111.6Y268 A271 I275 T373 V374 Q381Y268-A377 HydrophobicContact CD2-CB 4.48Å; Y268-A377 WeakPolarHBondContact CD2-O 3.36Å; A271-A377 HydrophobicContact CB-CB 4.06Å; I275-A377 HydrophobicContact CD1-CB 3.75Å; T373-A377 WeakPolarHBondContact O-CB 3.47Å; T373-A377 PolarHBondContact O-N 2.76Å; V374-A377 PolarHBondContact O-N 3.39Å; A377-Q381 VanDerWaalsContact O-CB 3.29Å; A377-Q381 WeakPolarHBondContact O-CB 3.2Å; A377-Q381 PolarHBondContact O-N 2.83Å
378T91.7Very high89.3Confident75 Ų7569.9 Ų69.946%0.4635%0.349SS..Hα-helixtrans-71.7-37.9177.945.80000113V374 R375 L376 Q381 T382V374-T378 WeakPolarHBondContact O-CG2 3.32Å; V374-T378 PolarHBondContact O-N 2.91Å; V374-T378 PolarHBondContact O-OG1 3.31Å; R375-T378 WeakPolarHBondContact CA-OG1 3.43Å; R375-T378 PolarHBondContact O-OG1 2.93Å; L376-T378 VanDerWaalsContact C-N 3.34Å; T378-Q381 PolarHBondContact O-N 2.89Å; T378-T382 PolarHBondContact O-N 3.41Å
379S92.8Very high87.4Confident45 Ų4567.3 Ų67.332%0.31536%0.355SS..Hα-helixtrans-67.7-43.817363.10000112.4R375 L376 Q381 T382 E383R375-S379 PolarHBondContact O-N 3.1Å; R375-S379 VanDerWaalsContact O-N 3.11Å; R375-S379 PolarHBondContact O-OG 2.82Å; L376-S379 PolarHBondContact O-OG 3.34Å; L376-S379 VanDerWaalsContact O-OG 3.08Å; S379-Q381 PolarHBondContact O-N 2.78Å; S379-T382 PolarHBondContact O-N 3.04Å; S379-T382 VanDerWaalsContact O-N 3.07Å; S379-T382 PolarHBondContact O-OG1 3.31Å; S379-E383 PolarHBondContact O-N 2.7Å
380L91.2Very high85.3Confident23 Ų2367.6 Ų67.612%0.1237%0.366CS..Hα-helixtrans-59.9-32.8173.3-69.7168.2000111.8L264 K267 Y268 A271 L376 L384L264-L380 HydrophobicContact CD2-CD2 3.55Å; K267-L380 HydrophobicContact CB-CD1 3.92Å; K267-L380 HydrophobicContact CB-CD2 4.19Å; Y268-L380 HydrophobicContact CD2-CB 4.44Å; A271-L380 HydrophobicContact CB-CD1 4.43Å; L376-L380 WeakPolarHBondContact O-CB 3.42Å; L376-L380 WeakPolarHBondContact O-CD1 3.44Å; L376-L380 WeakPolarHBondContact O-CG 3.33Å; L376-L380 PolarHBondContact O-N 3.04Å; L380-L384 VanDerWaalsContact O-CB 3.23Å; L380-L384 WeakPolarHBondContact O-CB 3.42Å; L380-L384 PolarHBondContact O-N 2.82Å
381Q89.6Confident83.2Confident60 Ų6071 Ų7128%0.2839%0.388SS..Hα-helixtrans-72.4-32.4174.8-174.5174-29.900113.3Y268 A377 T378 S379 R385Y268-Q381 HydrophobicContact CD2-CB 4.28Å; Y268-Q381 HydrophobicContact CE2-CB 3.8Å; Y268-Q381 HydrophobicContact CE2-CG 4.29Å; Y268-Q381 PolarHBondContact OH-OE1 3.27Å; A377-Q381 VanDerWaalsContact O-CB 3.29Å; A377-Q381 WeakPolarHBondContact O-CB 3.2Å; A377-Q381 PolarHBondContact O-N 2.83Å; T378-Q381 PolarHBondContact O-N 2.89Å; S379-Q381 PolarHBondContact O-N 2.78Å; Q381-R385 WeakPolarHBondContact O-CB 3.5Å; Q381-R385 VanDerWaalsContact O-CG 3.27Å; Q381-R385 WeakPolarHBondContact O-CG 3.36Å; Q381-R385 PolarHBondContact O-N 2.85Å; Q381-R385 VanDerWaalsContact O-N 3.14Å
382T88.5Confident80.6Confident85 Ų8573.2 Ų73.252%0.52140%0.403SS..Hα-helixtrans-74.7-39.6173.554.40000111.7T378 S379 R385 S386T378-T382 PolarHBondContact O-N 3.41Å; S379-T382 PolarHBondContact O-N 3.04Å; S379-T382 VanDerWaalsContact O-N 3.07Å; S379-T382 PolarHBondContact O-OG1 3.31Å; T382-R385 WeakPolarHBondContact O-CB 3.25Å; T382-R385 PolarHBondContact O-N 2.97Å; T382-S386 PolarHBondContact O-N 3.46Å; T382-S386 PolarHBondContact O-OG 3.04Å
383E87.4Confident77.8Confident85 Ų8575.3 Ų75.340%0.39743%0.426SS..Hα-helixtrans-59.8-46.1171.3-71.2178-159.800112.2L264 S379 R385 S386 L387L264-E383 HydrophobicContact CD1-CB 4.3Å; L264-E383 WeakPolarHBondContact CD2-OE2 3.33Å; S379-E383 PolarHBondContact O-N 2.7Å; E383-R385 VanDerWaalsContact C-N 3.27Å; E383-R385 PolarHBondContact O-N 2.79Å; E383-S386 PolarHBondContact O-N 3.2Å; E383-S386 PolarHBondContact O-OG 3.07Å; E383-L387 WeakPolarHBondContact O-CB 3.21Å; E383-L387 WeakPolarHBondContact O-CG 3.21Å; E383-L387 PolarHBondContact O-N 3.09Å
384L85.4Confident75Confident39 Ų3981 Ų8120%0.20446%0.464CS..Hα-helixtrans-67.4-28.8179-168.7146.3000112.1L380 S388L380-L384 VanDerWaalsContact O-CB 3.23Å; L380-L384 WeakPolarHBondContact O-CB 3.42Å; L380-L384 PolarHBondContact O-N 2.82Å; L384-S388 WeakPolarHBondContact O-CB 3.5Å; L384-S388 PolarHBondContact O-N 3.06Å; L384-S388 PolarHBondContact O-OG 3.49Å
385R83.3Confident71.9Confident159 Ų15984.2 Ų84.260%0.649%0.489SS*.Hα-helixtrans-71-48.3170.4-80.3173.9174.2174.2-1.3112.3Q381 T382 E383 L387 S388 A389Q381-R385 WeakPolarHBondContact O-CB 3.5Å; Q381-R385 VanDerWaalsContact O-CG 3.27Å; Q381-R385 WeakPolarHBondContact O-CG 3.36Å; Q381-R385 PolarHBondContact O-N 2.85Å; Q381-R385 VanDerWaalsContact O-N 3.14Å; T382-R385 WeakPolarHBondContact O-CB 3.25Å; T382-R385 PolarHBondContact O-N 2.97Å; E383-R385 VanDerWaalsContact C-N 3.27Å; E383-R385 PolarHBondContact O-N 2.79Å; R385-L387 PolarHBondContact O-N 2.72Å; R385-S388 CarbonylContact O-C 3.56Å; R385-S388 WeakPolarHBondContact O-CA 3.42Å; R385-S388 WeakPolarHBondContact O-CB 3.43Å; R385-S388 PolarHBondContact O-N 3.31Å; R385-A389 PolarHBondContact O-N 3.36Å
386S82.8Confident68.9Low68 Ų6884.1 Ų84.148%0.47651%0.509SS..Hα-helixtrans-62.8-45-17865.60000111.7T382 E383 S388 A389 S390T382-S386 PolarHBondContact O-N 3.46Å; T382-S386 PolarHBondContact O-OG 3.04Å; E383-S386 PolarHBondContact O-N 3.2Å; E383-S386 PolarHBondContact O-OG 3.07Å; S386-S388 PolarHBondContact O-N 2.75Å; S386-A389 PolarHBondContact O-N 3.37Å; S386-S390 PolarHBondContact O-N 3.1Å; S386-S390 PolarHBondContact O-OG 3.24Å
387L76.4Confident65.7Low51 Ų5183 Ų8327%0.26752%0.522SS..Hα-helixtrans-62.1-21.8173.1-69.7174.4000113.8L264 E383 R385L264-L387 HydrophobicContact CD1-CD1 3.44Å; L264-L387 VanDerWaalsContact CD1-CD1 3.44Å; E383-L387 WeakPolarHBondContact O-CB 3.21Å; E383-L387 WeakPolarHBondContact O-CG 3.21Å; E383-L387 PolarHBondContact O-N 3.09Å; R385-L387 PolarHBondContact O-N 2.72Å
388S71.7Confident62.5Low35 Ų3588.1 Ų88.125%0.24556%0.558CS.*Hα-helixtrans-89.9-18.7175.6-59.30000113.7K261 L384 R385 S386 T391K261-S388 WeakPolarHBondContact CE-OG 3.39Å; K261-S388 PolarHBondContact NZ-OG 2.85Å; L384-S388 WeakPolarHBondContact O-CB 3.5Å; L384-S388 PolarHBondContact O-N 3.06Å; L384-S388 PolarHBondContact O-OG 3.49Å; R385-S388 CarbonylContact O-C 3.56Å; R385-S388 WeakPolarHBondContact O-CA 3.42Å; R385-S388 WeakPolarHBondContact O-CB 3.43Å; R385-S388 PolarHBondContact O-N 3.31Å; S386-S388 PolarHBondContact O-N 2.75Å; S388-T391 PolarHBondContact O-OG1 3.17Å; S388-T391 VanDerWaalsContact O-OG1 3.06Å
389A53.9Low59.6Low73 Ų7390.6 Ų90.660%0.60358%0.578SS**Hα-helixtrans-76.7-38175.100000111.6R385 S386 T391 L392R385-A389 PolarHBondContact O-N 3.36Å; S386-A389 PolarHBondContact O-N 3.37Å; A389-T391 PolarHBondContact O-N 3.39Å; A389-L392 PolarHBondContact O-N 3.03Å
390S50.9Low56.6Low87 Ų87100.5 Ų100.561%0.60861%0.609SS**THydrogen-bonded Turntrans-67.87.9-177.3-48.80000116S386S386-S390 PolarHBondContact O-N 3.1Å; S386-S390 PolarHBondContact O-OG 3.24Å
391T48Very low53.6Low106 Ų106102.8 Ų102.865%0.6564%0.637SS**THydrogen-bonded Turntrans-104.82.7179.243.10000114.8S388 A389S388-T391 PolarHBondContact O-OG1 3.17Å; S388-T391 VanDerWaalsContact O-OG1 3.06Å; A389-T391 PolarHBondContact O-N 3.39Å
392L39.2Very low50.7Low156 Ų156106 Ų10682%0.81767%0.666SS**SBendtrans-125.846.2-172.8-67.7177.8000115.2A389A389-L392 PolarHBondContact O-N 3.03Å
393S35.3Very low47.8Very low116 Ų116110 Ų11081%0.81168%0.684SS**  trans-156100.7161.1-164.50000113.4
394C33.6Very low44.8Very low129 Ų129110.5 Ų110.587%0.87270%0.703SS**  trans-16297168.4-94.10000111.1
395S28.6Very low42Very low131 Ų131113.6 Ų113.692%0.91673%0.727SS**  trans-172.1134.3155.4-83.60000110.8
396S30.4Very low39.4Very low133 Ų133110.1 Ų110.193%0.9373%0.727SS**  trans-115.3151.5-179.3-520000110.9
397G25.8Very low36.8Very low78 Ų78118.3 Ų118.380%0.80475%0.748SS**  trans-17083.3-177.100000115.3
398S27.1Very low34.5Very low117 Ų117119.2 Ų119.282%0.81877%0.77SS**  trans-32.9142.6174.2-45.50000118.3
399S29Very low32.5Very low126 Ų126122.9 Ų122.988%0.88180%0.795SS**  -178.3166.3115.8-830000114.5
400R30.2Very low31.2Very low254 Ų254127.4 Ų127.496%0.95881%0.808SS**  trans-97.4142.7-167.3-59.5157.673.4122-3.9112.9
401G27.7Very low30.1Very low70 Ų70127.1 Ų127.172%0.72281%0.812SS**  trans105.5113.1135.800000118.8
402S28.9Very low29Very low127 Ų127128.3 Ų128.389%0.88882%0.819SS**  -164.6147.2121.3-79.90000109.9
403L27.6Very low28.3Very low170 Ų170126.6 Ų126.689%0.8982%0.815SS**  trans-106.2155.3179.5-71.5169.9000110.7
404A25.6Very low27.8Very low96 Ų96126.5 Ų126.579%0.79381%0.814SS**  trans53.1129.4156.200000119.2
405S26.2Very low27.6Very low104 Ų104125.4 Ų125.473%0.72781%0.808SS**  175139.287-166.60000113.3
406S28.5Very low27.7Very low85 Ų85127.4 Ų127.459%0.59481%0.807SS**  trans59.5118.4144.4-620000122.7
407R29Very low27.6Very low240 Ų240124.3 Ų124.391%0.90680%0.797SS**  57.7103.6122-61.7169.8164156.7-6.2118.8
408G27.7Very low27.8Very low71 Ų71126.8 Ų126.873%0.73280%0.802SS**  116151.381.600000118
409S29.6Very low27.9Very low111 Ų111125.9 Ų125.978%0.77680%0.802SS**  trans65.1113168-61.10000116.8
410L27.3Very low27.9Very low168 Ų168125.3 Ų125.388%0.8880%0.797SS**  90.6156.459.8-78.3169.9000113.3
411A26.3Very low27.7Very low82 Ų82118.8 Ų118.868%0.67879%0.791SS**  trans69116.7-171.200000114
412T25.3Very low27.7Very low130 Ų130124 Ų12480%0.79880%0.801SS**  64.6135.952.978.50000112
413T25.1Very low27.7Very low121 Ų121123.6 Ų123.674%0.74280%0.798SS**  cis-156.8-178.543.348.10000112.3
414S25.1Very low27.5Very low113 Ų113123.8 Ų123.879%0.7979%0.792SS**  trans66.4124.5177.368.30000115.4
415S28.3Very low27.7Very low106 Ų106125 Ų12574%0.74179%0.79SS**  cis79.8104.845.3-168.20000113.8
416L30.5Very low27.7Very low173 Ų173126 Ų12691%0.90679%0.787SS**  -159.9155.6110.5-122.479000109.9
417G28.9Very low27.6Very low69 Ų69128.3 Ų128.371%0.71179%0.792SS**  trans-75.6167.8-160.900000118.1
418S30.1Very low27.5Very low130 Ų130126.7 Ų126.791%0.90979%0.788SS**  trans-166.3116.8138.5-81.80000110.2
419A29.9Very low27.4Very low98 Ų98131.1 Ų131.181%0.8179%0.794SS**  trans-108.5107.3170.100000109.2
420S27.9Very low27.1Very low113 Ų113134.8 Ų134.879%0.7980%0.799SS**  trans-168.3148165.9-81.40000110.9
421S27.3Very low27.2Very low118 Ų118135.2 Ų135.283%0.82580%0.796SS**  trans62.882.9164.6-52.70000117.7
422L26.8Very low28.1Very low179 Ų179134.7 Ų134.794%0.93779%0.786SS**  trans-83.9113.6149-72.2174.9000109.1
423S27.7Very low28.2Very low118 Ų118137.3 Ų137.383%0.82579%0.789SS**  trans-133.593.8161.960.50000107.6
424F24.8Very low28.8Very low174 Ų174139.4 Ų139.476%0.76379%0.794SS**  trans-114.7128.8-174.1-174.3-90.5000110.1D426F424-D426 WeakPolarHBondContact CZ-O 3.39Å
425T28.5Very low29.1Very low123 Ų123138.8 Ų138.876%0.75580%0.796SS**  trans-131.9113.4167.547.40000107.9
426D28.1Very low29.4Very low123 Ų123139.6 Ų139.666%0.65879%0.793SS**  trans63.5148.6163.2-50.6-34000116.3F424F424-D426 WeakPolarHBondContact CZ-O 3.39Å
427L25.8Very low30.1Very low135 Ų135136.6 Ų136.671%0.70778%0.783SS**  cis-149.5145.343.3-73.8156.3000113
428Y27.4Very low30.6Very low206 Ų206137.8 Ų137.881%0.80877%0.773SS**  trans55.6134.5145.1-78.1-110.7000118.9
429L25.1Very low31.2Very low164 Ų164137.7 Ų137.786%0.85976%0.762SS**  -164.3130.870.9-17177.4000112.4
430E22.6Very low31.8Very low188 Ų188137.6 Ų137.688%0.87975%0.754SS**  trans-162.3127.9144.2-151.6165.6-133.200112.3
431Q29.5Very low32.3Very low176 Ų176135.8 Ų135.882%0.82274%0.741SS**  trans-178.9162.8168-119.5-162.9-15.800107.5
432P46.4Very low33Very low71 Ų71135.6 Ų135.646%0.46173%0.726SS.*  cis-128.4174.7-15.740.6-26.9000113.2
433E26.9Very low33.7Very low185 Ų185132.4 Ų132.486%0.86471%0.709SS**  trans-151.6114150.8-131.5171.9-13500114.8
434L38.2Very low34.2Very low165 Ų165132.4 Ų132.486%0.86470%0.7SS**  trans30.4114.6148-58.5172.3000123.1
435A31.2Very low34.8Very low100 Ų100128.6 Ų128.683%0.82670%0.695SS**  trans-161.190.514100000108.9
436D33.7Very low35.4Very low124 Ų124129.7 Ų129.766%0.66370%0.695SS**  70.8104.598.7-166.98.3000114.9D438D436-D438 VanDerWaalsContact C-N 3.35Å; D436-D438 PolarHBondContact O-N 2.82Å; D436-D438 PolarHBondContact OD1-N 3.16Å
437P44.9Very low36.1Very low110 Ų110130.8 Ų130.871%0.71470%0.701SS**G310 helixtrans-71.3-19.6-175.1-18.732.5000116L439P437-L439 PolarHBondContact O-N 2.96Å; P437-L439 VanDerWaalsContact O-N 3.13Å
438D40.3Very low37Very low93 Ų93132.5 Ų132.550%0.49771%0.705SS.*G310 helixtrans-80.3-0.5-156.2-139.249.9000114.9D436 K442D436-D438 VanDerWaalsContact C-N 3.35Å; D436-D438 PolarHBondContact O-N 2.82Å; D436-D438 PolarHBondContact OD1-N 3.16Å; D438-K442 PolarHBondContact O-NZ 3.34Å; D438-K442 IonicContact OD2-NZ 2.7Å; D438-K442 PolarHBondContact OD2-NZ 3.06Å
439L42.7Very low37.2Very low128 Ų128130.5 Ų130.567%0.6771%0.708SS**G310 helixtrans-87.3-35.6179.8-171.461.5000113P437 K442P437-L439 PolarHBondContact O-N 2.96Å; P437-L439 VanDerWaalsContact O-N 3.13Å; L439-K442 PolarHBondContact O-N 3.34Å
440C41.4Very low37.3Very low97 Ų97125.8 Ų125.866%0.65570%0.699SS**Hα-helixtrans-66.5-44.3-178.8-65.70000111.7K442 L443C440-K442 PolarHBondContact O-N 3.07Å; C440-K442 VanDerWaalsContact O-N 3.1Å; C440-L443 PolarHBondContact O-N 3.45Å
441S39Very low37.6Very low74 Ų74120.5 Ų120.552%0.51770%0.695SS.*Hα-helixtrans-57.6-26.1178.4-470000113.7S445S441-S445 PolarHBondContact O-OG 3.23Å
442K41.7Very low38.2Very low114 Ų114118.1 Ų118.150%0.49670%0.695SS.*Hα-helixtrans-85.5-16.7-179.9-65.2-174.2-176.389.70113.4D438 L439 C440D438-K442 PolarHBondContact O-NZ 3.34Å; D438-K442 IonicContact OD2-NZ 2.7Å; D438-K442 PolarHBondContact OD2-NZ 3.06Å; L439-K442 PolarHBondContact O-N 3.34Å; C440-K442 PolarHBondContact O-N 3.07Å; C440-K442 VanDerWaalsContact O-N 3.1Å
443L42.4Very low37.2Very low113 Ų113121.6 Ų121.659%0.59272%0.715SS**Hα-helixtrans-82.4-44.2177.9-100.7163.1000112.5C440 S445 L446C440-L443 PolarHBondContact O-N 3.45Å; L443-S445 VanDerWaalsContact C-N 3.25Å; L443-S445 PolarHBondContact O-N 3.34Å; L443-L446 PolarHBondContact O-N 3.09Å; L443-L446 VanDerWaalsContact O-N 3.17Å
444D37.3Very low37.2Very low118 Ų118115.8 Ų115.863%0.63170%0.704SS**Hα-helixtrans-61.8-36.7173.3-79.2-26.4000111.5L446 L447D444-L446 PolarHBondContact O-N 3.05Å; D444-L446 VanDerWaalsContact O-N 3.14Å; D444-L447 PolarHBondContact O-N 2.8Å
445S38Very low36.6Very low93 Ų93119.1 Ų119.165%0.6571%0.707SS**THydrogen-bonded Turntrans-63.5-15.1177.5-60.20000114.4S441 L443S441-S445 PolarHBondContact O-OG 3.23Å; L443-S445 VanDerWaalsContact C-N 3.25Å; L443-S445 PolarHBondContact O-N 3.34Å
446L41.3Very low36.4Very low146 Ų146125.2 Ų125.276%0.76471%0.709SS**THydrogen-bonded Turntrans-100.1-3.2179.8-89.1165.9000114.1L443 D444L443-L446 PolarHBondContact O-N 3.09Å; L443-L446 VanDerWaalsContact O-N 3.17Å; D444-L446 PolarHBondContact O-N 3.05Å; D444-L446 VanDerWaalsContact O-N 3.14Å
447L43.3Very low36.6Very low147 Ų147124 Ų12477%0.7771%0.708SS**SBendtrans-110.15.3179.6-75.6169.8000113.6D444D444-L447 PolarHBondContact O-N 2.8Å
448Q44.4Very low35.7Very low171 Ų171124.2 Ų124.280%0.79971%0.712SS**SBendtrans-139.127.6-163.6-150.9159.9113.800116.1
449D29.9Very low35.2Very low163 Ų163125 Ų12587%0.87272%0.724SS**SBendtrans-151.4155.3163.3-148.6-12.3000113.5
450G27.5Very low34.5Very low66 Ų66123.6 Ų123.668%0.6873%0.726SS**  trans7491.5160.600000119.6
451G28.6Very low33.8Very low76 Ų76126 Ų12678%0.78473%0.73SS**  trans-83.3-165.9145.400000111.6
452P42.6Very low33.1Very low127 Ų127128 Ų12883%0.82574%0.739SS**  cis-138.3-159.78.240.1-19.1000114.7
453V25.8Very low32.5Very low144 Ų144128.1 Ų128.187%0.87375%0.75SS**  trans91111.8171.1-168.80000115.6
454G27.6Very low31.8Very low63 Ų63129.2 Ų129.265%0.64976%0.755SS**  cis-175.7161.5-5.400000116.9
455Y25.8Very low31.4Very low234 Ų234130.3 Ų130.392%0.91876%0.756SS**  trans56.389.2155.3-70.8-80.5000121.7
456R25.6Very low31.1Very low228 Ų228132.9 Ų132.986%0.8676%0.758SS**  -36.2163.3119.6-121-174.6174.6171.2-0.7112.1
457P38.5Very low30.5Very low100 Ų100133.8 Ų133.865%0.64976%0.758SS**  cis-150-169.820.643.2-21.6000118.3
458S25.3Very low29.8Very low113 Ų113134.3 Ų134.379%0.7976%0.756SS**  trans85.3121.8145.9-64.50000120.5
459S29.6Very low28.9Very low110 Ų110131.5 Ų131.577%0.76975%0.75SS**  trans-61.1148.8170.150.90000115.6
460S28.4Very low28.6Very low99 Ų99129.3 Ų129.369%0.69274%0.743SS**  157.5169.3115.858.40000112
461I27.2Very low28.5Very low147 Ų147132.8 Ų132.875%0.75475%0.751SS**  trans70.6139.1157.7-68.6165.3000115.9
462T24.7Very low28.2Very low116 Ų116132.5 Ų132.571%0.71275%0.748SS**  cis-156.4179.9-19.331.20000109.2
463T28.6Very low27.2Very low117 Ų117133.3 Ų133.372%0.71876%0.755SS**  trans-41.9171.7141.260.20000113.5
464I28.9Very low27.1Very low136 Ų136129.4 Ų129.470%0.69774%0.744SS**  cis-129.2-170.27.147.6169.8000107.8
465H28.6Very low27Very low140 Ų140134.1 Ų134.165%0.64875%0.749SS**  cis-157.1-156.51.7-134.4-159000104.8
466E31.8Very low26.9Very low148 Ų148133.7 Ų133.769%0.69275%0.746SS**  cis-159167.9-19.142.6-141.7144.500105.6
467H28.6Very low27Very low164 Ų164126.1 Ų126.176%0.75974%0.738SS**  cis71.7143.729.6-67.238000113
468E28.6Very low26.3Very low158 Ų158125.8 Ų125.874%0.73874%0.744SS**  cis-151156.6-1.9-132.6-168.2-172.200109.4
469V25.6Very low26.3Very low112 Ų112127.4 Ų127.468%0.67974%0.739SS**  trans65.9129.8133.7159.40000124.1
470V22.5Very low26.1Very low118 Ų118131.8 Ų131.872%0.71574%0.739SS**  trans62.9104.9149.4163.90000118.6
471T24.9Very low25.9Very low139 Ų139131 Ų13185%0.85373%0.733SS**  72.9117.882.2-52.90000114.9
472G22.8Very low25.8Very low69 Ų69131.1 Ų131.171%0.71174%0.735SS**  trans-177.7101.4169.100000115.6
473C22Very low25.8Very low144 Ų144133.1 Ų133.197%0.97374%0.742SS**  trans60.3157.3171.4-83.70000118.7
474G23.6Very low25.6Very low62 Ų62131.5 Ų131.564%0.63974%0.741SS**  cis168.9118-11.200000116.2
475Q25.1Very low25.4Very low162 Ų162128.6 Ų128.676%0.75774%0.744SS**  trans56.3122.2146.6-65.4-173.6-5.200122.3
476R24.4Very low26.1Very low225 Ų225128.7 Ų128.785%0.84976%0.757SS**  trans70.3163.3140.6-60.7167.1178.7-177.1-1.9117
477G27Very low25.7Very low69 Ų69125.5 Ų125.571%0.71176%0.764SS**  cis-106.6170-11.800000112.1
478A25Very low25.6Very low93 Ų93121.2 Ų121.277%0.76976%0.764SS**  cis83.2152.429.600000115
479E24.8Very low25.5Very low147 Ų147118.4 Ų118.469%0.68777%0.768SS**  trans79.2118.2-175.5-49.2-135.5117.600113.9
480R25.3Very low25.5Very low203 Ų203122.3 Ų122.377%0.76678%0.779SS**  92152.387-80-172.4-151.5-105-1.7112.2
481S24.9Very low25.9Very low82 Ų82121.5 Ų121.557%0.57378%0.778SS**  cis-170.8158-22.250.50000108.8
482D23.4Very low26.3Very low149 Ų149119.8 Ų119.880%0.79777%0.772SS**  trans53.7112.3146.3-53.2-19.1000121.8
483D24.8Very low26.5Very low158 Ų158128.3 Ų128.385%0.84578%0.783SS**  95151.9120-156.733.1000122.4
484A25.2Very low26.9Very low84 Ų84126.5 Ų126.569%0.69477%0.767SS**  trans46.311615600000122.2
485G23.6Very low27.2Very low74 Ų74132.7 Ų132.776%0.76378%0.779SS**  133.6160.4119.700000118.1
486P44.8Very low27.2Very low142 Ų142130.5 Ų130.592%0.92278%0.777SS**  trans-133163.1-158.640.2-22.4000117.5
487G23.2Very low27.4Very low82 Ų82127.1 Ų127.185%0.84578%0.775SS**  trans116.5154.5149.300000118
488G25.8Very low27.4Very low74 Ų74133.7 Ų133.776%0.76378%0.778SS**  trans101.7116-176.300000112
489A26Very low27.5Very low98 Ų98136 Ų13681%0.8178%0.777SS**  cis68.3132.126.100000113.6
490E25.8Very low27.5Very low194 Ų194133.6 Ų133.691%0.90778%0.776SS**  cis-156.7-173-4.1-139.7179.4-143.900112.2
491S32.5Very low27.4Very low102 Ų102133.1 Ų133.171%0.71378%0.783SS**  trans-85.8161.6-179.9-179.40000113.2
492S31.8Very low27.3Very low102 Ų102135.1 Ų135.171%0.71379%0.791SS**  trans-177.4120.9139.2-910000117.2
493R28.6Very low28.2Very low248 Ų248133 Ų13394%0.93679%0.786SS**  trans-168.597.1136.6-108.5-179.5179.6-173.10.3107.5
494V29.3Very low28.2Very low106 Ų106136.1 Ų136.164%0.64279%0.786SS**  90.7102.250.6176.50000113.4V496V494-V496 HydrophobicContact CG1-CG2 4.03Å
495Q29.1Very low28.2Very low192 Ų192136.6 Ų136.690%0.89778%0.784SS**  trans-174.890.2146.6-101.6173.116.100106.4
496V26.5Very low28.3Very low117 Ų117140.4 Ų140.471%0.70978%0.784SS**  71.5104.773.71790000113.8V494V494-V496 HydrophobicContact CG1-CG2 4.03Å
497L28.1Very low27.3Very low154 Ų154140 Ų14081%0.80677%0.774SS**  -173.6120.6125.5-97.5175.9000113.5
498R27.2Very low27.5Very low206 Ų206140.6 Ų140.678%0.77777%0.765SS**  trans52.4112.2144.8-63.7-71.6-178.796.7-3.5123.4
499L26.5Very low27.6Very low142 Ų142144.6 Ų144.674%0.74377%0.768SS**  88135.6122-69.2172.9000124
500S25.9Very low27.8Very low97 Ų97145 Ų14568%0.67877%0.765SS**  trans70.1111.2143.952.60000123.2
501E23.1Very low28.7Very low192 Ų192141.1 Ų141.190%0.89776%0.757SS**  80.5117.8125.1-67.3-172.9146.500122.7
502T23.1Very low28.6Very low124 Ų124147.1 Ų147.176%0.76176%0.764SS**  trans-75.3172.8142.8600000108.8
503P41.4Very low28.3Very low106 Ų106146.7 Ų146.769%0.68876%0.761SS**  cis-150.5-15626.637.3-10.9000115.8
504R24.4Very low28.2Very low223 Ų223140 Ų14084%0.84275%0.752SS**  trans80126.8166.3-66177.2172.4165-1.2116
505S24.8Very low28.2Very low94 Ų94142.6 Ų142.666%0.65776%0.762SS**  cis92.3158.231.4800000114.5
506M26.5Very low28.1Very low153 Ų153137.9 Ų137.975%0.75475%0.749SS**  trans82.9120.2-176.2-55.9-66.3-87.500111.8
507N24.7Very low28.1Very low135 Ų135137.6 Ų137.672%0.72275%0.753SS**  68138.373.5-69.94.6000112
508S25.6Very low28.1Very low93 Ų93137.8 Ų137.865%0.6575%0.754SS**  cis-174.9-155.1-5480000108.7
509L28.2Very low28.1Very low158 Ų158133 Ų13383%0.82775%0.752SS**  trans84.496.2160.7-49-173.1000118.9
510S30.8Very low29.6Very low107 Ų107132 Ų13275%0.74875%0.754SS**  -64.4172.2127.1-320000110.1
511P45.4Very low30.3Very low112 Ų112132.6 Ų132.673%0.72776%0.756SS**  cis-133-172.8-0.238.5-20000113.1
512R29.3Very low30.3Very low228 Ų228129 Ų12986%0.8675%0.75SS**  172.2136.4118.9-98.7-178.5170.6-174.7-4116.4
513S25.9Very low30.7Very low94 Ų94128 Ų12866%0.65775%0.749SS**  trans41.5121.1140.866.40000122.8
514S25.9Very low30.3Very low106 Ų106128.7 Ų128.774%0.74175%0.753SS**  58.6130.7116.3-45.40000121.6
515L30Very low30.4Very low162 Ų162124.9 Ų124.985%0.84875%0.748SS**  168.1107.9117-85.8169.3000106.3
516S26.1Very low30.5Very low92 Ų92126.4 Ų126.464%0.64375%0.753SS**  95.6119.264.5-77.90000113.2
517S27.7Very low30.3Very low111 Ų111125 Ų12578%0.77676%0.758SS**  trans70.6155.4155.676.10000117.6
518L27Very low30.1Very low159 Ų159125.4 Ų125.483%0.83276%0.761SS**  cis-127166.515.6-78.4161.8000114.4
519S28.1Very low29.9Very low106 Ų106126.5 Ų126.574%0.74176%0.764SS**  trans-153.9177.1171.8-35.60000107.3
520P57.9Low29.7Very low121 Ų121124.3 Ų124.379%0.78676%0.757SS**  cis-118.4-113.7-28.635.4-13.9000107.4
521P39.8Very low29.3Very low109 Ų109127.6 Ų127.671%0.70876%0.758SS**  cis-114.2-176.7-5.647.6-34.3000112
522C23.9Very low28.2Very low116 Ų116129.4 Ų129.478%0.78476%0.761SS**  cis-135.21634.9-63.90000111.6
523S30.8Very low27.9Very low104 Ų104124.7 Ų124.773%0.72776%0.763SS**  trans-129.6160.8146.7-55.40000108.1
524P34.2Very low27.7Very low119 Ų119123.8 Ų123.877%0.77377%0.768SS**  -136.2155.899.823.2-3.5000112.2
525L26.4Very low27.6Very low144 Ų144128 Ų12875%0.75478%0.776SS**  cis82.9109.534.8-67.2171.9000115.9
526V25.3Very low27.4Very low125 Ų125125.2 Ų125.276%0.75878%0.777SS**  58.6130.7129176.60000119.6
527S22.8Very low27.3Very low123 Ų123124.7 Ų124.786%0.8679%0.786SS**  -163.8153.1126.3-820000112.7
528D21.4Very low27.2Very low144 Ų144125.6 Ų125.677%0.7779%0.792SS**  trans-109.4156.3-176.9-115.9-44.7000111.3
529T21.8Very low27.1Very low117 Ų117121.7 Ų121.772%0.71879%0.79SS**  trans67137.9152.257.70000123.7
530T22.4Very low26.9Very low111 Ų111120.4 Ų120.468%0.68179%0.793SS**  trans91.4135.2137.830.30000125.9
531F22.3Very low25.5Very low176 Ų176122.1 Ų122.177%0.77280%0.802SS**  trans78.3102.3146.7-69.8-55.6000125
532L24Very low24.9Very low151 Ų151120.1 Ų120.179%0.79180%0.801SS**  55.9145.2122.9-71.8176.9000124.9
533S22.8Very low25.4Very low128 Ų128122.5 Ų122.590%0.89581%0.805SS**  trans63.8145.7172.7-65.80000115.9
534G22Very low25.8Very low75 Ų75124.7 Ų124.777%0.77381%0.808SS**  cis151.6152.46.800000106.8
535E23.6Very low26Very low194 Ų194125.8 Ų125.891%0.90781%0.807SS**  cis-158.6169.37.2-177.8173.5-155.700108.6
536A25.3Very low26.4Very low105 Ų105125.8 Ų125.887%0.86880%0.803SS**  trans68.7140.7173.300000118.7
537G23.2Very low26.9Very low80 Ų80127.8 Ų127.883%0.82581%0.809SS**  cis152.5122.3-15.400000115.5
538S26.2Very low27.5Very low131 Ų131133.3 Ų133.392%0.91681%0.811SS**  trans-177.2156.3148.7-165.70000110.5
539G24.5Very low28Very low77 Ų77130.2 Ų130.279%0.79480%0.8SS**  trans-65-176.6-16500000118.8
540G25.1Very low28.6Very low78 Ų78134.7 Ų134.780%0.80480%0.804SS**  cis-178.5-1685.400000113.5
541V28.6Very low29Very low158 Ų158137.2 Ų137.296%0.95881%0.812SS**  trans-45.6153.6178.2-74.30000115.5
542G26.4Very low29.5Very low67 Ų67134.7 Ų134.769%0.69181%0.812SS**  cis165.9-141.74.700000111.3
543L34Very low29.8Very low166 Ų166136.4 Ų136.487%0.86982%0.816SS**  trans77.985.1170.4-52.2179.5000118.6
544D38.4Very low30.1Very low150 Ų150138.4 Ų138.480%0.80282%0.815SS**  trans-90105.2146173.728.4000108.4
545L39.2Very low30.2Very low142 Ų142144 Ų14474%0.74382%0.822SS**  trans-156.9-8.6176.8-154.757.3000116.6
546E35.9Very low30.4Very low144 Ų144142.3 Ų142.367%0.67382%0.818SS**SBendtrans-102-10.7-170.5-159.5162.8177.200115.2R548 S549E546-R548 PolarHBondContact O-N 3.32Å; E546-S549 PolarHBondContact O-OG 3.3Å
547L34.5Very low30.4Very low167 Ų167143.5 Ų143.587%0.87481%0.809SS**THydrogen-bonded Turntrans-81.711.7175.8-74.7172.7000114.3
548R34.8Very low31.2Very low239 Ų239144.8 Ų144.890%0.90280%0.804SS**THydrogen-bonded Turntrans-126.32.8-176.8-116.2175.8171.3176.4-4.3115.6E546E546-R548 PolarHBondContact O-N 3.32Å
549S32.9Very low31.1Very low79 Ų79146.4 Ų146.455%0.55280%0.796SS**SBendtrans-110.1-0.9-178.655.70000114.6E546E546-S549 PolarHBondContact O-OG 3.3Å
550R33.6Very low31.2Very low210 Ų210149.6 Ų149.679%0.79279%0.791SS**SBendtrans-105.315.8-172.8-67.4-69.4-172.7161.7-0.3114.8
551L32.3Very low31.2Very low164 Ų164151.1 Ų151.186%0.85978%0.777SS**SBendtrans-124.524.9-175.3-106.4170.9000112.7
552T32.1Very low31.1Very low124 Ų124153 Ų15376%0.76177%0.767SS**SBendtrans-152.761.4-174.6-44.40000111.9
553E30.7Very low31Very low186 Ų186159.7 Ų159.787%0.86977%0.771SS**  trans-160.5149.2161.5-120.4164.4-149.700110
554L27.8Very low30.6Very low170 Ų170157.7 Ų157.789%0.8976%0.757SS**  trans73.765.6178.2-51.7178.4000118.5
555E24.7Very low29.9Very low194 Ų194158 Ų15891%0.90775%0.754SS**  trans-153.3111.5140.6-135.4169.2-146.500112.9
556L29Very low29.4Very low157 Ų157158.1 Ų158.182%0.82276%0.755SS**  trans-160.8145.2165.9-74.2-178.1000103.9
557D25.3Very low28.9Very low130 Ų130157.9 Ų157.970%0.69575%0.754SS**  cis-152.4175.36.3-119.3-39.6000106.2
558P38.5Very low28.5Very low108 Ų108155.6 Ų155.670%0.70174%0.742SS**  cis-149.9178.239.944.9-24.3000118.3
559E24.8Very low28.3Very low164 Ų164150.9 Ų150.977%0.76673%0.728SS**  trans25.4144.9136.3-63.3-68.4173.900120.9
560E26.1Very low27.9Very low145 Ų145155.8 Ų155.868%0.67874%0.742SS**  cis-159157.732.7-140.9-161.315300114.7
561Q25.8Very low27.5Very low110 Ų110152.8 Ų152.851%0.51474%0.742SS.*  trans73.5125.1149.8-83.3-174.258.800124.9
562R26.1Very low27.2Very low197 Ų197153.2 Ų153.274%0.74375%0.745SS**  trans79.7113.4147.9-63.6176.9-158.6-147.34118.9
563R25.4Very low26.8Very low207 Ų207153.5 Ų153.578%0.78174%0.742SS**  74.6139.195.6-71.9171175.8-131.413.1113.7
564E24.8Very low26.5Very low124 Ų124151.7 Ų151.758%0.57974%0.738SS**  cis-159.4155.215.7-125.3155.5-134.900111.7
565Q24.4Very low26.3Very low156 Ų156149 Ų14973%0.72973%0.728SS**  trans63.2128.4157.4-66.9170.621.300119
566L26.9Very low26.3Very low145 Ų145147.5 Ų147.576%0.75973%0.726SS**  69131.663.4-70.5166.4000113.3
567E26.8Very low26Very low139 Ų139143.1 Ų143.165%0.6572%0.718SS**  cis-158.9-154.3-9.4-151.3-173.7-118.900110.1K569E567-K569 IonicContact OE2-NZ 3.07Å; E567-K569 PolarHBondContact OE2-NZ 3.44Å
568D26.4Very low26Very low120 Ų120144.6 Ų144.664%0.64273%0.726SS**  trans73.2116.2177.4-70.9-37.8000118
569K28.9Very low25.3Very low139 Ų139145.9 Ų145.960%0.60472%0.723SS**  68.4128.962.8-61.1-179.3-14797.90110.7E567E567-K569 IonicContact OE2-NZ 3.07Å; E567-K569 PolarHBondContact OE2-NZ 3.44Å
570Q25.9Very low25.2Very low182 Ų182142.9 Ų142.985%0.8572%0.719SS**  cis-160.2165.340.5-134.8158.749.200112.7
571N25.1Very low25.1Very low147 Ų147143.5 Ų143.579%0.78672%0.719SS**  trans-77.5154.3175.1-56.2-61.1000112.7
572L26.3Very low24.9Very low174 Ų174142 Ų14291%0.91173%0.733SS**  trans-156.7154.4134.6-112166.2000111.5
573N23Very low24.9Very low130 Ų130137.5 Ų137.570%0.69574%0.738SS**  trans-106167.3-164.7-68.5-47.9000113.7
574N23.4Very low24.8Very low147 Ų147136.4 Ų136.479%0.78674%0.741SS**  trans88.4133.4133.4-87.9-4.6000122.4
575V24.6Very low24.9Very low113 Ų113138 Ų13869%0.68575%0.752SS**  106.9128.1123.5149.90000120
576L25.2Very low24.8Very low164 Ų164139.1 Ų139.186%0.85976%0.757SS**  trans61.5140.1171.3-67155.9000116.6
577G22.9Very low24.6Very low64 Ų64135.8 Ų135.866%0.6676%0.759SS**  cis93.9111.6-9.200000116.3
578D24.3Very low24.6Very low161 Ų161134.4 Ų134.486%0.86177%0.771SS**  trans-172.1174.9132.1-151.9-1.5000112
579E23.5Very low24.4Very low136 Ų136132.1 Ų132.164%0.63678%0.775SS**  trans-71170178.7-41.5-177.8108.400114.1K581E579-K581 IonicContact OE1-NZ 3.25Å; E579-K581 PolarHBondContact OE1-NZ 2.62Å; E579-K581 IonicContact OE2-NZ 2.74Å; E579-K581 PolarHBondContact OE2-NZ 3.09Å
580C23.5Very low25Very low101 Ų101131.1 Ų131.168%0.68278%0.783SS**  -174.214269-131.30000117.3
581K24.2Very low25.1Very low158 Ų158132.5 Ų132.569%0.68779%0.786SS**  trans4.9144.3141-50.7169.6-175.384.50120E579E579-K581 IonicContact OE1-NZ 3.25Å; E579-K581 PolarHBondContact OE1-NZ 2.62Å; E579-K581 IonicContact OE2-NZ 2.74Å; E579-K581 PolarHBondContact OE2-NZ 3.09Å
582G22Very low25.2Very low78 Ų78135 Ų13580%0.80479%0.79SS**  trans174.897.815500000121.2
583A24.7Very low25.2Very low102 Ų102135.8 Ų135.884%0.84379%0.792SS**  trans4693.7139.700000123.4
584Q23.6Very low25.4Very low184 Ų184132.8 Ų132.886%0.8679%0.791SS**  -17.3142.4127.9175.9-173.732.800118.4
585I26.2Very low25.6Very low157 Ų157132 Ų13281%0.80579%0.791SS**  trans-168.6164.9141.1-104.3157.6000113.4
586Q24.1Very low25.7Very low180 Ų180133 Ų13384%0.84180%0.798SS**  trans-54.1164.5-178.4-56.8144.713.700115
587G22.4Very low25.9Very low76 Ų76130.9 Ų130.978%0.78480%0.797SS**  cis131.8104.3-1.700000113.8
588A25.4Very low26.2Very low110 Ų110131.5 Ų131.591%0.90980%0.796SS**  trans-164.7154.6171.100000113.3
589G22.9Very low26.4Very low71 Ų71130.9 Ų130.973%0.73280%0.797SS**  trans-125.9-153.9159.400000109.5
590P41.6Very low26.8Very low118 Ų118128.5 Ų128.577%0.76680%0.796SS**  cis-126.6-175.9-17.942.1-28.8000111.8
591K28.2Very low27.4Very low212 Ų212130.7 Ų130.792%0.92280%0.801SS**  trans-176.1159.1143.6-101.4145.5-167.1172.70113.4
592K28.2Very low28.2Very low199 Ų199130.7 Ų130.787%0.86580%0.803SS**  trans-106.8139.8171.2-55.6175.2179.5-179.50109.9
593M25.1Very low29Very low191 Ų191132.5 Ų132.594%0.94180%0.803SS**  trans177.2164.2136.2-152.759.277.400109.5
594G27.6Very low29.7Very low66 Ų66133 Ų13368%0.6880%0.795SS**  trans120.246.6150.800000120.4
595V26.9Very low30.2Very low130 Ų130128.4 Ų128.479%0.78879%0.789SS**  trans20.5117.2131.8177.30000119
596T26.5Very low30.4Very low135 Ų135124.5 Ų124.583%0.82879%0.788SS**  trans51.8124.5153.961.70000122.1
597S29.6Very low31Very low120 Ų120123.1 Ų123.184%0.83979%0.786SS**  -150.2151.7103.6-165.70000110.3
598A30.4Very low31.6Very low77 Ų77124.9 Ų124.964%0.63679%0.787SS**  trans-96.2160.915900000109.5
599V28.1Very low32.1Very low148 Ų148123.1 Ų123.190%0.89778%0.779SS**  -144.3147.2116.9-167.20000106.2
600S31.4Very low32.5Very low86 Ų86126 Ų12660%0.60178%0.782SS**  trans-108.5177.6177.6-59.30000111.1
601D36.9Very low32Very low147 Ų147130.9 Ų130.979%0.78679%0.787SS**  trans74.9155.8155.1-64.7-53.5000117.3
602E40.4Very low32Very low157 Ų157129 Ų12973%0.73478%0.781SS**  cis-134.8147.416.2-158.9164.115600114.9V604E602-V604 HydrophobicContact CG-CG2 4.02Å; E602-V604 VanDerWaalsContact OE1-CG2 3.3Å; E602-V604 WeakPolarHBondContact OE1-CG2 3.43Å
603S38.5Very low32.1Very low116 Ų116124.6 Ų124.681%0.81177%0.773SS**  trans-134.494.6168.2-75.30000110.1
604V39.1Very low32.2Very low112 Ų112120.7 Ų120.768%0.67976%0.764SS**  trans-121.6118.8169.6173.30000106.8E602E602-V604 HydrophobicContact CG-CG2 4.02Å; E602-V604 VanDerWaalsContact OE1-CG2 3.3Å; E602-V604 WeakPolarHBondContact OE1-CG2 3.43Å
605A35Very low32.4Very low88 Ų88126.6 Ų126.673%0.72777%0.774SS**  cis81.668.634.400000114.9
606G30.9Very low32.4Very low75 Ų75131.8 Ų131.877%0.77378%0.78SS**  trans-95.7115142.100000107.4
607D36.7Very low32.4Very low152 Ų152135 Ų13581%0.81378%0.782SS**  86.1110.975-176.325.5000112.7G609D607-G609 PolarHBondContact OD1-N 3.2Å
608S34.8Very low32.3Very low113 Ų113133.9 Ų133.979%0.7977%0.772SS**  trans-150.991.3151.765.70000108.3V610S608-V610 PolarHBondContact O-N 3.33Å
609G36.1Very low32Very low72 Ų72133.6 Ų133.674%0.74278%0.777SS**  trans-60.2117-177.100000114.8D607D607-G609 PolarHBondContact OD1-N 3.2Å
610V29.9Very low32.1Very low131 Ų131134.9 Ų134.979%0.79478%0.778SS**  trans-127.2114.8155.1177.90000107.7S608 E612S608-V610 PolarHBondContact O-N 3.33Å; V610-E612 PolarHBondContact O-N 3.43Å
611Y30.9Very low32.3Very low222 Ų222136 Ų13687%0.87178%0.783SS**  trans-92.979.8-175.7-161.8-87.4000110.7
612E29.8Very low31.7Very low171 Ų171135.9 Ų135.980%0.79979%0.788SS**  trans-83.2129.9160.3-79.2-160.7139.600109.9V610 S614V610-E612 PolarHBondContact O-N 3.43Å; E612-S614 PolarHBondContact O-N 3.1Å
613P30.2Very low31.1Very low108 Ų108136.6 Ų136.670%0.70179%0.791SS**  trans-79.294.9-170.830.9-35.1000111.9E615P613-E615 PolarHBondContact O-N 2.86Å
614S27.4Very low30.8Very low108 Ų108138.2 Ų138.276%0.75579%0.79SS**  trans-62.3127.217162.20000112E612E612-S614 PolarHBondContact O-N 3.1Å
615E30.7Very low30.5Very low190 Ų190140.4 Ų140.489%0.88880%0.797SS**  trans-63.4141.2179.6-57.8-171.9145.300112.1P613P613-E615 PolarHBondContact O-N 2.86Å
616R26.6Very low30.2Very low240 Ų240145 Ų14591%0.90681%0.808SS**  trans-131.9117.7160.6-76.8-166.2174.6-163.6-0.6111.5
617K26Very low30.1Very low202 Ų202146.3 Ų146.388%0.87881%0.806SS**  trans-75151.8157.2-81.3177.6176.5169.90109.9
618P28.4Very low29.8Very low96 Ų96144.1 Ų144.162%0.62380%0.802SS**  trans-81.5156.2-173.433.1-35.8000113
619G24.3Very low29.5Very low72 Ų72149.8 Ų149.874%0.74281%0.808SS**  trans-170.539.7-17200000118.5
620L30.7Very low29.2Very low175 Ų175155.6 Ų155.692%0.91682%0.815SS**  trans66.2167.1171-93.277.3000117.5
621P33.9Very low29Very low110 Ų110155.9 Ų155.971%0.71481%0.813SS**  trans-113.8165.9-153.741.9-35000115.9
622T25.3Very low28.8Very low144 Ų144156.8 Ų156.888%0.88381%0.814SS**  trans-136.8121.6151.8-56.90000108.1
623E28.2Very low28.7Very low171 Ų171153.7 Ų153.780%0.79981%0.812SS**  trans-89.4167172.9-166170-125.800109.1
624L32.5Very low28.8Very low151 Ų151153 Ų15379%0.79182%0.815SS**  trans68.395.9176.4-50.3172.3000116.2
625L31.3Very low29.6Very low158 Ų158154.1 Ų154.183%0.82782%0.823SS**  174.770.3118.9-92.6170.6000112.1
626L28.5Very low30.8Very low184 Ų184146.6 Ų146.696%0.96380%0.796SS**  trans-138.288.3158.9-102.6105.8000108.8
627S29.2Very low33Very low103 Ų103137.2 Ų137.272%0.7277%0.767SS**  trans-153.366178.562.60000110.9
628S30.1Very low35.7Very low106 Ų106127.8 Ų127.874%0.74173%0.727SS**  trans-165.7155.8162.515.10000108.9
629Y28.9Very low38.5Very low232 Ų232126.2 Ų126.291%0.9171%0.711SS**  trans77.446.8-169.5-54.6-64.9000117
630E30.5Very low41.6Very low193 Ų193122.8 Ų122.890%0.90268%0.676SS**  trans-81.9124.8133.8-67.4-172.6127.300108.5
631D25.3Very low44.5Very low138 Ų138115.8 Ų115.874%0.73864%0.638SS**  -174.1105.5103.6-174.711.4000111.4S633D631-S633 PolarHBondContact OD1-N 2.71Å
632R26.6Very low47.3Very low240 Ų240110.5 Ų110.591%0.90660%0.604SS**SBendtrans-158.478.5138.6-112.4179.1-157.4-148.34.5110.5
633S27.2Very low50.3Low106 Ų106103.7 Ų103.774%0.74156%0.562SS**  trans52.166.3155.5-45.90000116.5D631 S635D631-S633 PolarHBondContact OD1-N 2.71Å; S633-S635 PolarHBondContact O-N 2.78Å
634A33.6Very low53.3Low94 Ų9496.1 Ų96.178%0.77753%0.527SS*.  trans-69113.7172.400000112G636A634-G636 PolarHBondContact O-N 2.96Å
635S43Very low55.9Low131 Ų13192.4 Ų92.492%0.91650%0.502SS*.  trans-77.769.8155.4-62.30000109.2S633S633-S635 PolarHBondContact O-N 2.78Å
636G57.2Low58.6Low32 Ų3285.1 Ų85.133%0.3346%0.464SS..PPolyproline II helixtrans-60.4144.2-179.500000111.7A634 N662 A665A634-G636 PolarHBondContact O-N 2.96Å; G636-N662 WeakPolarHBondContact CA-ND2 3.46Å; G636-N662 PolarHBondContact O-ND2 2.92Å; G636-A665 WeakPolarHBondContact O-CB 3.48Å
637C71.8Confident61.4Low44 Ų4478.2 Ų78.230%0.29743%0.426SS..PPolyproline II helixtrans-75.1150.7163.356.30000110.5N662C637-N662 VanDerWaalsContact C-ND2 3.26Å; C637-N662 PolarHBondContact O-ND2 3.26Å
638S82.5Confident63.9Low3 Ų376.6 Ų76.62%0.02142%0.415CS..PPolyproline II helixtrans-65.4145.1170.6-48.90000110.8S661 N662 L666 L761S638-S661 WeakPolarHBondContact CA-O 3.17Å; S638-N662 WeakPolarHBondContact CA-O 3.4Å; S638-N662 VanDerWaalsContact CB-O 3.24Å; S638-N662 WeakPolarHBondContact CB-O 3.42Å; S638-N662 PolarHBondContact OG-O 2.95Å; S638-L666 WeakPolarHBondContact OG-CD2 3.48Å; S638-L666 VanDerWaalsContact OG-CG 3.31Å; S638-L666 WeakPolarHBondContact OG-CG 3.42Å; S638-L761 PolarHBondContact O-N 3.28Å
639Q88.1Confident66.4Low63 Ų6381.9 Ų81.929%0.29442%0.419SS..EExtended strand (participates in β ladder)trans-128.5150.8-176.6-51.8-175.7-1.300111.9L660 S661 W758 Y759 N760Q639-L660 WeakPolarHBondContact O-CA 3.33Å; Q639-S661 PolarHBondContact N-O 3.4Å; Q639-S661 PolarHBondContact O-N 2.68Å; Q639-W758 HydrophobicContact CB-CE3 3.82Å; Q639-W758 HydrophobicContact CB-CZ3 4.15Å; Q639-Y759 CarbonylContact C-O 3.53Å; Q639-Y759 VanDerWaalsContact CA-O 3.31Å; Q639-Y759 WeakPolarHBondContact CA-O 3.33Å; Q639-N760 WeakPolarHBondContact CG-OD1 3.31Å; Q639-N760 PolarHBondContact NE2-OD1 3.45Å
640V89.7Confident68.8Low0 Ų074 Ų740%039%0.392CS..EExtended strand (participates in β ladder)trans-119.4131.9171.861.30000110.8L642 I657 L660 W758 Y759 L761V640-L642 HydrophobicContact CG1-CD1 4.19Å; V640-L642 HydrophobicContact CG1-CG 4.17Å; V640-L642 HydrophobicContact CG2-CD2 3.6Å; V640-L642 HydrophobicContact CG2-CG 3.91Å; V640-I657 HydrophobicContact CG2-CG2 4.12Å; V640-L660 HydrophobicContact CB-CD2 3.55Å; V640-L660 HydrophobicContact CG2-CD2 3.6Å; V640-W758 CarbonylContact O-C 3.48Å; V640-W758 WeakPolarHBondContact O-CA 3.45Å; V640-Y759 PolarHBondContact N-O 3.46Å; V640-Y759 PolarHBondContact O-N 2.94Å; V640-L761 HydrophobicContact CB-CD1 4.17Å; V640-L761 HydrophobicContact CG1-CD1 4.25Å; V640-L761 HydrophobicContact CG1-CD2 3.89Å; V640-L761 HydrophobicContact CG1-CG 4.15Å
641Q91.4Very high71.5Confident28 Ų2869.5 Ų69.513%0.13137%0.371CS..EExtended strand (participates in β ladder)trans-92.6115.9171.3-164.917742.700109.8M658 Q659 T756 W758Q641-M658 HydrophobicContact CB-CB 4.23Å; Q641-M658 HydrophobicContact CG-CB 4.3Å; Q641-M658 HydrophobicContact CG-SD 4.34Å; Q641-M658 PolarHBondContact O-N 2.84Å; Q641-Q659 HydrophobicContact CB-CG 3.85Å; Q641-Q659 PolarHBondContact N-O 3.22Å; Q641-T756 HydrophobicContact CG-CG2 3.62Å; Q641-W758 HydrophobicContact CB-CD2 3.8Å; Q641-W758 HydrophobicContact CB-CE3 3.68Å; Q641-W758 HydrophobicContact CB-CH2 3.89Å; Q641-W758 HydrophobicContact CB-CZ2 3.98Å; Q641-W758 HydrophobicContact CB-CZ3 3.72Å; Q641-W758 HydrophobicContact CG-CD2 4.03Å; Q641-W758 HydrophobicContact CG-CE3 4.42Å; Q641-W758 HydrophobicContact CG-CG 4.46Å; Q641-W758 HydrophobicContact CG-CZ2 4.22Å
642L91.7Very high74.4Confident0 Ų068.3 Ų68.30%036%0.357CS..EExtended strand (participates in β ladder)trans-116.6138.4-179.4-59.5174.1000110.8V640 F644 Y656 I657 L722 V724 I743 T756 K757 Y759V640-L642 HydrophobicContact CG1-CD1 4.19Å; V640-L642 HydrophobicContact CG1-CG 4.17Å; V640-L642 HydrophobicContact CG2-CD2 3.6Å; V640-L642 HydrophobicContact CG2-CG 3.91Å; L642-F644 HydrophobicContact CB-CE1 4.23Å; L642-F644 HydrophobicContact CB-CE2 4.12Å; L642-F644 HydrophobicContact CB-CZ 3.65Å; L642-F644 HydrophobicContact CD1-CZ 4.11Å; L642-Y656 CarbonylContact C-O 3.55Å; L642-Y656 WeakPolarHBondContact CA-O 3.23Å; L642-I657 HydrophobicContact CD2-CB 4.29Å; L642-I657 HydrophobicContact CD2-CG1 4.02Å; L642-I657 HydrophobicContact CD2-CG2 4.2Å; L642-L722 HydrophobicContact CD1-CD2 4.33Å; L642-V724 HydrophobicContact CD1-CG2 3.94Å; L642-I743 HydrophobicContact CD1-CD1 3.49Å; L642-I743 VanDerWaalsContact CD1-CD1 3.49Å; L642-T756 CarbonylContact O-C 3.56Å; L642-T756 VanDerWaalsContact O-CA 3.31Å; L642-T756 WeakPolarHBondContact O-CA 3.29Å; L642-K757 PolarHBondContact N-O 3.23Å; L642-K757 PolarHBondContact O-N 2.81Å; L642-Y759 HydrophobicContact CB-CD2 4.16Å; L642-Y759 HydrophobicContact CB-CE2 4.06Å; L642-Y759 HydrophobicContact CD1-CD2 3.83Å; L642-Y759 HydrophobicContact CD1-CE2 4.15Å; L642-Y759 HydrophobicContact CG-CD2 4.13Å; L642-Y759 HydrophobicContact CG-CE2 4.47Å
643G89.9Confident77.4Confident0 Ų057 Ų570%031%0.314CS..EExtended strand (participates in β ladder)trans-109.1141.7169.100000111.3V655 Y656 H755G643-V655 CarbonylContact O-C 3.59Å; G643-V655 WeakPolarHBondContact O-CA 3.39Å; G643-Y656 PolarHBondContact N-O 3.5Å; G643-Y656 PolarHBondContact O-N 2.82Å; G643-H755 CarbonylContact C-O 3.52Å; G643-H755 WeakPolarHBondContact CA-O 3.29Å
644F90.8Very high80.4Confident12 Ų1252.6 Ų52.65%0.05328%0.282CS..EExtended strand (participates in β ladder)trans-122.9142.7177.5-50.2-75.3000110.5L642 F653 V655 L722 R754 H755 Y759L642-F644 HydrophobicContact CB-CE1 4.23Å; L642-F644 HydrophobicContact CB-CE2 4.12Å; L642-F644 HydrophobicContact CB-CZ 3.65Å; L642-F644 HydrophobicContact CD1-CZ 4.11Å; F644-F653 HydrophobicContact CB-CE2 4.29Å; F644-F653 HydrophobicContact CD1-CE2 4.26Å; F644-F653 AromaticContact CD1-CZ 3.88Å; F644-F653 HydrophobicContact CD1-CZ 3.88Å; F644-V655 HydrophobicContact CD1-CG1 3.96Å; F644-V655 HydrophobicContact CD1-CG2 4.19Å; F644-V655 HydrophobicContact CE1-CG1 3.83Å; F644-L722 HydrophobicContact CE1-CD2 3.8Å; F644-L722 HydrophobicContact CZ-CD2 4.46Å; F644-R754 CarbonylContact O-C 3.59Å; F644-R754 WeakPolarHBondContact O-CA 3.47Å; F644-H755 WeakPolarHBondContact CD2-O 3.49Å; F644-H755 PolarHBondContact N-O 3.13Å; F644-H755 PolarHBondContact O-N 2.93Å; F644-Y759 AromaticContact CE2-CE2 3.78Å; F644-Y759 HydrophobicContact CE2-CE2 3.78Å; F644-Y759 AromaticContact CE2-CZ 3.95Å; F644-Y759 VanDerWaalsContact CE2-OH 3.29Å; F644-Y759 WeakPolarHBondContact CE2-OH 3.49Å; F644-Y759 AromaticContact CZ-CE2 3.84Å; F644-Y759 HydrophobicContact CZ-CE2 3.84Å
645R87.6Confident83.1Confident74 Ų7448.3 Ų48.328%0.27925%0.246SC..EExtended strand (participates in β ladder)trans-146135.6171.3-169175.376.1-168.410.9109.6E647 I654 Y656 Q752R645-E647 IonicContact NH2-OE2 2.66Å; R645-I654 PolarHBondContact N-O 2.86Å; R645-I654 PolarHBondContact O-N 2.82Å; R645-Y656 HydrophobicContact CB-CE2 4.22Å; R645-Y656 VanDerWaalsContact CZ-OH 3.32Å; R645-Y656 PolarHBondContact NH1-OH 3Å; R645-Q752 VanDerWaalsContact CD-O 3.32Å; R645-Q752 WeakPolarHBondContact CD-O 3.41Å; R645-Q752 WeakPolarHBondContact CG-O 3.39Å
646Y87.8Confident85.3Confident5 Ų544.3 Ų44.32%0.0221%0.211CC..EExtended strand (participates in β ladder)trans-117.5118.4173.9-179.8-97.3000110.9S648 F653 T712 H714 L717Y646-S648 PolarHBondContact O-N 2.66Å; Y646-F653 HydrophobicContact CD2-CB 4.16Å; Y646-T712 WeakPolarHBondContact CE2-O 3.45Å; Y646-T712 PolarHBondContact OH-O 2.8Å; Y646-H714 AromaticContact CD1-CD2 3.64Å; Y646-H714 HydrophobicContact CE1-CB 3.79Å; Y646-H714 AromaticContact CE1-CD2 3.73Å; Y646-H714 HydrophobicContact CE2-CB 4.49Å; Y646-H714 AromaticContact CG-CD2 3.96Å; Y646-H714 PolarHBondContact OH-N 2.76Å; Y646-H714 VanDerWaalsContact OH-N 3.09Å; Y646-L717 HydrophobicContact CD2-CD2 3.77Å; Y646-L717 HydrophobicContact CE2-CD2 4.43Å; Y646-L717 HydrophobicContact CG-CD2 4.32Å
647E86.8Confident86.9Confident38 Ų3842.8 Ų42.818%0.17820%0.196CC..EExtended strand (participates in β ladder)trans-94.694.6-179.6-169.8111.4-118.800109.7R645 R649 D650 Q651 R652 Q752R645-E647 IonicContact NH2-OE2 2.66Å; E647-R649 PolarHBondContact O-N 2.78Å; E647-R649 VanDerWaalsContact O-N 3.16Å; E647-D650 HydrophobicContact CG-CB 4.13Å; E647-D650 PolarHBondContact O-N 3.16Å; E647-Q651 WeakPolarHBondContact O-CA 3.48Å; E647-Q651 PolarHBondContact O-N 3.45Å; E647-R652 HydrophobicContact CB-CB 4.18Å; E647-R652 PolarHBondContact N-O 3.37Å; E647-R652 PolarHBondContact O-N 3.23Å; E647-R652 VanDerWaalsContact O-N 3.1Å; E647-Q752 PolarHBondContact OE1-NE2 2.92Å
648S81.1Confident87.7Confident70 Ų7043 Ų4349%0.4919%0.193SC..THydrogen-bonded Turntrans-68.5-11.7-175.3-164.40000114.9Y646Y646-S648 PolarHBondContact O-N 2.66Å
649R82.1Confident87.9Confident216 Ų21645.6 Ų45.682%0.81521%0.205SC*.THydrogen-bonded Turntrans-76.5-45.9174.1-65.7-174.3178.9-152.4-0.5111.5E647E647-R649 PolarHBondContact O-N 2.78Å; E647-R649 VanDerWaalsContact O-N 3.16Å
650D81.1Confident87.8Confident66 Ų6642.7 Ų42.735%0.35319%0.191SC..THydrogen-bonded Turntrans-90.3-7.1-177.4-71.332.5000113.3E647 R652 Q711E647-D650 HydrophobicContact CG-CB 4.13Å; E647-D650 PolarHBondContact O-N 3.16Å; D650-R652 VanDerWaalsContact C-N 3.27Å; D650-R652 HydrophobicContact CB-CB 3.83Å; D650-R652 PolarHBondContact O-N 3.43Å; D650-R652 IonicContact OD2-CZ 2.68Å; D650-R652 IonicContact OD2-NE 3.51Å; D650-R652 PolarHBondContact OD2-NE 2.9Å; D650-R652 IonicContact OD2-NH2 2.73Å; D650-R652 PolarHBondContact OD2-NH2 2.87Å; D650-Q711 PolarHBondContact O-NE2 3.03Å
651Q85.5Confident87.5Confident99 Ų9943.7 Ų43.746%0.46320%0.198SC..THydrogen-bonded Turntrans51.446.6-163.8-55-169.222.800111.6E647 Q711 T712E647-Q651 WeakPolarHBondContact O-CA 3.48Å; E647-Q651 PolarHBondContact O-N 3.45Å; Q651-Q711 CarbonylContact O-C 3.56Å; Q651-Q711 WeakPolarHBondContact O-CA 3.43Å; Q651-T712 CarbonylContact C-O 3.6Å; Q651-T712 CarbonylContact O-C 3.57Å; Q651-T712 PolarHBondContact O-N 2.58Å
652R87Confident87Confident114 Ų11444.3 Ų44.343%0.4320%0.203SC..EExtended strand (participates in β ladder)trans-113.3117.2-172.2-156-169.6-54.8-147.96.6111E647 D650 I654 M710E647-R652 HydrophobicContact CB-CB 4.18Å; E647-R652 PolarHBondContact N-O 3.37Å; E647-R652 PolarHBondContact O-N 3.23Å; E647-R652 VanDerWaalsContact O-N 3.1Å; D650-R652 VanDerWaalsContact C-N 3.27Å; D650-R652 HydrophobicContact CB-CB 3.83Å; D650-R652 PolarHBondContact O-N 3.43Å; D650-R652 IonicContact OD2-CZ 2.68Å; D650-R652 IonicContact OD2-NE 3.51Å; D650-R652 PolarHBondContact OD2-NE 2.9Å; D650-R652 IonicContact OD2-NH2 2.73Å; D650-R652 PolarHBondContact OD2-NH2 2.87Å; R652-I654 HydrophobicContact CG-CG1 4.25Å; R652-M710 CarbonylContact C-O 3.53Å; R652-M710 VanDerWaalsContact CA-O 3.32Å; R652-M710 WeakPolarHBondContact CA-O 3.24Å; R652-M710 WeakPolarHBondContact CG-O 3.2Å
653F89.3Confident86Confident1 Ų144.5 Ų44.50%0.00420%0.204CC..EExtended strand (participates in β ladder)trans-89.8132169178-124.1000109.3F644 Y646 V655 G709 M710 T712 L717 L745 V748F644-F653 HydrophobicContact CB-CE2 4.29Å; F644-F653 HydrophobicContact CD1-CE2 4.26Å; F644-F653 AromaticContact CD1-CZ 3.88Å; F644-F653 HydrophobicContact CD1-CZ 3.88Å; Y646-F653 HydrophobicContact CD2-CB 4.16Å; F653-V655 HydrophobicContact CD1-CG2 4.03Å; F653-V655 HydrophobicContact CE1-CG2 3.32Å; F653-V655 HydrophobicContact CE2-CG2 4.32Å; F653-V655 HydrophobicContact CZ-CG2 3.51Å; F653-G709 CarbonylContact O-C 3.43Å; F653-G709 WeakPolarHBondContact O-CA 3.37Å; F653-M710 HydrophobicContact CB-CG 3.97Å; F653-M710 HydrophobicContact CD1-CG 4.17Å; F653-M710 HydrophobicContact CD1-SD 4.19Å; F653-M710 PolarHBondContact N-O 2.8Å; F653-M710 PolarHBondContact O-N 2.8Å; F653-T712 HydrophobicContact CB-CG2 3.66Å; F653-L717 HydrophobicContact CB-CD1 4.12Å; F653-L717 HydrophobicContact CB-CD2 4.29Å; F653-L717 HydrophobicContact CD1-CD1 3.62Å; F653-L717 HydrophobicContact CD2-CD1 3.92Å; F653-L717 HydrophobicContact CD2-CD2 3.57Å; F653-L717 HydrophobicContact CD2-CG 4.41Å; F653-L717 HydrophobicContact CE1-CD1 3.9Å; F653-L717 HydrophobicContact CE2-CD1 4.19Å; F653-L717 HydrophobicContact CE2-CD2 4.02Å; F653-L717 HydrophobicContact CG-CD1 3.62Å; F653-L717 HydrophobicContact CG-CD2 3.97Å; F653-L717 HydrophobicContact CG-CG 4.48Å; F653-L717 HydrophobicContact CZ-CD1 4.17Å; F653-L745 HydrophobicContact CE1-CD1 3.81Å; F653-L745 HydrophobicContact CE1-CD2 4.4Å; F653-L745 HydrophobicContact CZ-CD1 4.04Å; F653-L745 HydrophobicContact CZ-CD2 3.87Å; F653-V748 HydrophobicContact CE2-CG1 4.14Å; F653-V748 HydrophobicContact CE2-CG2 4.28Å
654I89.9Confident84.9Confident15 Ų1548 Ų488%0.07723%0.228CC..EExtended strand (participates in β ladder)trans-128.4129.5-176.6-52.8174.1000109R645 R652 Y656 V707 F708R645-I654 PolarHBondContact N-O 2.86Å; R645-I654 PolarHBondContact O-N 2.82Å; R652-I654 HydrophobicContact CG-CG1 4.25Å; I654-Y656 HydrophobicContact CB-CE2 4.3Å; I654-Y656 HydrophobicContact CG2-CD2 4.3Å; I654-Y656 HydrophobicContact CG2-CE2 3.59Å; I654-V707 HydrophobicContact CG2-CG1 3.48Å; I654-V707 VanDerWaalsContact CG2-CG1 3.48Å; I654-F708 CarbonylContact C-O 3.5Å; I654-F708 WeakPolarHBondContact CA-O 3.38Å
655V90.7Very high83.7Confident3 Ų349.1 Ų49.12%0.01824%0.24CC..EExtended strand (participates in β ladder)trans-117.4137.3176.2-167.90000109.7G643 F644 F653 M678 V707 F708 L722G643-V655 CarbonylContact O-C 3.59Å; G643-V655 WeakPolarHBondContact O-CA 3.39Å; F644-V655 HydrophobicContact CD1-CG1 3.96Å; F644-V655 HydrophobicContact CD1-CG2 4.19Å; F644-V655 HydrophobicContact CE1-CG1 3.83Å; F653-V655 HydrophobicContact CD1-CG2 4.03Å; F653-V655 HydrophobicContact CE1-CG2 3.32Å; F653-V655 HydrophobicContact CE2-CG2 4.32Å; F653-V655 HydrophobicContact CZ-CG2 3.51Å; V655-M678 HydrophobicContact CB-CE 3.71Å; V655-M678 HydrophobicContact CG1-CE 3.52Å; V655-M678 HydrophobicContact CG2-CE 4.12Å; V655-V707 WeakPolarHBondContact O-CA 3.34Å; V655-F708 PolarHBondContact N-O 3.49Å; V655-F708 PolarHBondContact O-N 2.86Å; V655-L722 HydrophobicContact CG1-CD2 4.26Å
656Y89.8Confident82.7Confident47 Ų4746.5 Ų46.518%0.18423%0.231CC..EExtended strand (participates in β ladder)trans-111.9123.2177.9-63.3-99000108L642 G643 R645 I654 V707L642-Y656 CarbonylContact C-O 3.55Å; L642-Y656 WeakPolarHBondContact CA-O 3.23Å; G643-Y656 PolarHBondContact N-O 3.5Å; G643-Y656 PolarHBondContact O-N 2.82Å; R645-Y656 HydrophobicContact CB-CE2 4.22Å; R645-Y656 VanDerWaalsContact CZ-OH 3.32Å; R645-Y656 PolarHBondContact NH1-OH 3Å; I654-Y656 HydrophobicContact CB-CE2 4.3Å; I654-Y656 HydrophobicContact CG2-CD2 4.3Å; I654-Y656 HydrophobicContact CG2-CE2 3.59Å; Y656-V707 HydrophobicContact CD1-CB 4.29Å; Y656-V707 HydrophobicContact CD1-CG1 3.88Å; Y656-V707 HydrophobicContact CD1-CG2 3.49Å; Y656-V707 VanDerWaalsContact CD1-CG2 3.49Å; Y656-V707 HydrophobicContact CE1-CB 4.29Å; Y656-V707 HydrophobicContact CE1-CG1 3.59Å; Y656-V707 HydrophobicContact CE1-CG2 3.63Å; Y656-V707 HydrophobicContact CE2-CG1 4.4Å; Y656-V707 HydrophobicContact CG-CG1 4.37Å; Y656-V707 HydrophobicContact CG-CG2 4.43Å
657I90.1Very high81.3Confident1 Ų155.3 Ų55.31%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-94.2107.4166-49.1178.2000106.5V640 L642 V676 M678 T693 I704 N705 E706 F708V640-I657 HydrophobicContact CG2-CG2 4.12Å; L642-I657 HydrophobicContact CD2-CB 4.29Å; L642-I657 HydrophobicContact CD2-CG1 4.02Å; L642-I657 HydrophobicContact CD2-CG2 4.2Å; I657-V676 HydrophobicContact CD1-CB 4.07Å; I657-V676 HydrophobicContact CD1-CG1 4.01Å; I657-M678 HydrophobicContact CD1-SD 3.41Å; I657-M678 WeakPolarHBondContact CD1-SD 3.41Å; I657-M678 HydrophobicContact CG1-SD 3.58Å; I657-M678 VanDerWaalsContact CG1-SD 3.58Å; I657-T693 HydrophobicContact CD1-CG2 3.44Å; I657-T693 VanDerWaalsContact CD1-CG2 3.44Å; I657-I704 HydrophobicContact CB-CB 4.48Å; I657-I704 HydrophobicContact CB-CG2 4.2Å; I657-I704 HydrophobicContact CG2-CB 4.04Å; I657-I704 HydrophobicContact CG2-CD1 3.9Å; I657-I704 HydrophobicContact CG2-CG1 4.42Å; I657-I704 HydrophobicContact CG2-CG2 4.1Å; I657-N705 CarbonylContact O-C 3.58Å; I657-N705 WeakPolarHBondContact O-CA 3.49Å; I657-N705 PolarHBondContact O-N 3.35Å; I657-E706 PolarHBondContact N-O 2.79Å; I657-E706 PolarHBondContact O-N 3.17Å; I657-F708 HydrophobicContact CD1-CD2 4.23Å; I657-F708 HydrophobicContact CD1-CE2 3.74Å; I657-F708 HydrophobicContact CG1-CD2 4.45Å; I657-F708 HydrophobicContact CG1-CE2 4.32Å
658M87.9Confident80.2Confident47 Ų4754.8 Ų54.823%0.23227%0.268CS..EExtended strand (participates in β ladder)trans-83.3-62.5-175.1-64.4179.160.100110.1Q641 I704 N705 T756Q641-M658 HydrophobicContact CB-CB 4.23Å; Q641-M658 HydrophobicContact CG-CB 4.3Å; Q641-M658 HydrophobicContact CG-SD 4.34Å; Q641-M658 PolarHBondContact O-N 2.84Å; M658-I704 PolarHBondContact O-N 3.27Å; M658-N705 PolarHBondContact O-N 3.34Å; M658-N705 PolarHBondContact O-OD1 3.08Å; M658-T756 HydrophobicContact SD-CG2 3.65Å
659Q87.8Confident79.3Confident59 Ų5954.5 Ų54.528%0.27626%0.264SS..EExtended strand (participates in β ladder)trans-153.7159.6-177.555.8-178-19.200112.5Q641 V702 W758Q641-Q659 HydrophobicContact CB-CG 3.85Å; Q641-Q659 PolarHBondContact N-O 3.22Å; Q659-V702 CarbonylContact C-O 3.57Å; Q659-V702 WeakPolarHBondContact CA-O 3.36Å; Q659-V702 WeakPolarHBondContact CB-O 3.48Å; Q659-W758 HydrophobicContact CG-CH2 3.74Å; Q659-W758 HydrophobicContact CG-CZ2 4.35Å; Q659-W758 HydrophobicContact CG-CZ3 4.39Å
660L85.6Confident78.2Confident1 Ų148 Ų481%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-106.6146.7164.1-61.2175.6000109.4Q639 V640 C663 M674 V676 V701 V702 I704 I726 L761Q639-L660 WeakPolarHBondContact O-CA 3.33Å; V640-L660 HydrophobicContact CB-CD2 3.55Å; V640-L660 HydrophobicContact CG2-CD2 3.6Å; L660-C663 VanDerWaalsContact CB-SG 3.58Å; L660-M674 HydrophobicContact CD1-CE 3.58Å; L660-M674 HydrophobicContact CD1-SD 4.11Å; L660-V676 HydrophobicContact CD1-CG2 4.04Å; L660-V676 HydrophobicContact CD2-CG2 4.38Å; L660-V701 CarbonylContact O-C 3.56Å; L660-V701 WeakPolarHBondContact O-CA 3.26Å; L660-V701 WeakPolarHBondContact O-CG1 3.08Å; L660-V702 HydrophobicContact CB-CB 4.43Å; L660-V702 PolarHBondContact N-O 2.76Å; L660-V702 PolarHBondContact O-N 3.07Å; L660-I704 HydrophobicContact CD1-CD1 3.82Å; L660-I704 HydrophobicContact CG-CD1 3.82Å; L660-I726 HydrophobicContact CD1-CD1 3.8Å; L660-I726 HydrophobicContact CD1-CG1 4.42Å; L660-I726 HydrophobicContact CD2-CD1 3.95Å; L660-I726 HydrophobicContact CG-CD1 4.49Å; L660-L761 HydrophobicContact CD2-CD1 4.34Å
661S84.3Confident77.4Confident22 Ų2250.3 Ų50.315%0.15427%0.269CS..EExtended strand (participates in β ladder)trans-134.515517459.90000111.6S638 Q639 C663 D700 W758S638-S661 WeakPolarHBondContact CA-O 3.17Å; Q639-S661 PolarHBondContact N-O 3.4Å; Q639-S661 PolarHBondContact O-N 2.68Å; S661-C663 VanDerWaalsContact C-N 3.35Å; S661-C663 PolarHBondContact O-N 3.24Å; S661-D700 CarbonylContact C-O 3.41Å; S661-W758 VanDerWaalsContact OG-CZ3 3.22Å; S661-W758 WeakPolarHBondContact OG-CZ3 3.26Å
662N81Confident76.9Confident41 Ų4147.9 Ų47.922%0.21926%0.258CS..  trans53.649.1-177.1-179.228.6000112.1G636 C637 S638 S664 D700G636-N662 WeakPolarHBondContact CA-ND2 3.46Å; G636-N662 PolarHBondContact O-ND2 2.92Å; C637-N662 VanDerWaalsContact C-ND2 3.26Å; C637-N662 PolarHBondContact O-ND2 3.26Å; S638-N662 WeakPolarHBondContact CA-O 3.4Å; S638-N662 VanDerWaalsContact CB-O 3.24Å; S638-N662 WeakPolarHBondContact CB-O 3.42Å; S638-N662 PolarHBondContact OG-O 2.95Å; N662-S664 VanDerWaalsContact C-N 3.26Å; N662-S664 PolarHBondContact O-N 2.85Å; N662-S664 PolarHBondContact OD1-OG 3.48Å; N662-D700 WeakPolarHBondContact CA-OD1 3.39Å; N662-D700 PolarHBondContact N-O 3.13Å
663C69.7Low76.5Confident4 Ų447.9 Ų47.93%0.02726%0.261CS..G310 helixtrans-74.3-18.3179.3-54.90000112.6L660 S661 A665 L666 Q699 D700L660-C663 VanDerWaalsContact CB-SG 3.58Å; S661-C663 VanDerWaalsContact C-N 3.35Å; S661-C663 PolarHBondContact O-N 3.24Å; C663-A665 PolarHBondContact O-N 3.07Å; C663-L666 WeakPolarHBondContact O-CB 3.23Å; C663-L666 PolarHBondContact O-N 3.1Å; C663-L666 VanDerWaalsContact O-N 3.1Å; C663-Q699 VanDerWaalsContact CB-O 3.31Å; C663-Q699 WeakPolarHBondContact CB-O 3.26Å; C663-D700 PolarHBondContact N-O 2.88Å; C663-D700 PolarHBondContact N-OD1 3.46Å; C663-D700 VanDerWaalsContact N-OD1 3.16Å; C663-D700 PolarHBondContact SG-O 3.05Å; C663-D700 VanDerWaalsContact SG-O 3.39Å
664S66.5Low76.3Confident73 Ų7348 Ų4851%0.5126%0.262SS..G310 helixtrans-57.9-34.5175.254.50000112.8N662 L666 F667 D700N662-S664 VanDerWaalsContact C-N 3.26Å; N662-S664 PolarHBondContact O-N 2.85Å; N662-S664 PolarHBondContact OD1-OG 3.48Å; S664-L666 PolarHBondContact O-N 2.86Å; S664-F667 PolarHBondContact O-N 3.43Å; S664-D700 WeakPolarHBondContact CB-OD1 3.46Å; S664-D700 PolarHBondContact N-OD1 3.48Å; S664-D700 PolarHBondContact OG-OD1 2.75Å
665A67Low76.1Confident36 Ų3647.4 Ų47.430%0.29826%0.259SS..G310 helixtrans-61.9-6.8174.900000115.1G636 C663G636-A665 WeakPolarHBondContact O-CB 3.48Å; C663-A665 PolarHBondContact O-N 3.07Å
666L65.2Low76Confident19 Ų1947.4 Ų47.410%0.09926%0.258CS..G310 helixtrans-94.30.8173.3-54.8-176.4000114S638 C663 S664 L668 I726 A739S638-L666 WeakPolarHBondContact OG-CD2 3.48Å; S638-L666 VanDerWaalsContact OG-CG 3.31Å; S638-L666 WeakPolarHBondContact OG-CG 3.42Å; C663-L666 WeakPolarHBondContact O-CB 3.23Å; C663-L666 PolarHBondContact O-N 3.1Å; C663-L666 VanDerWaalsContact O-N 3.1Å; S664-L666 PolarHBondContact O-N 2.86Å; L666-L668 HydrophobicContact CB-CD1 4.13Å; L666-L668 HydrophobicContact CB-CG 4.33Å; L666-L668 HydrophobicContact CD1-CD1 4.4Å; L666-L668 PolarHBondContact O-N 2.76Å; L666-I726 HydrophobicContact CD1-CB 4.41Å; L666-I726 HydrophobicContact CD1-CD1 3.8Å; L666-I726 HydrophobicContact CD1-CG2 3.92Å; L666-A739 HydrophobicContact CD2-CB 3.69Å
667F58.7Low75.9Confident190 Ų19048.8 Ų48.883%0.83326%0.263SS*.  trans51.838.2177.9-62.1-83.5000114.3S664S664-F667 PolarHBondContact O-N 3.43Å
668L63.8Low75.9Confident27 Ų2748.8 Ų48.814%0.14126%0.263CS..  trans-70.1128.6-178.9-87.4158000112.5L666 A670 M674 P698 N728 L738L666-L668 HydrophobicContact CB-CD1 4.13Å; L666-L668 HydrophobicContact CB-CG 4.33Å; L666-L668 HydrophobicContact CD1-CD1 4.4Å; L666-L668 PolarHBondContact O-N 2.76Å; L668-A670 PolarHBondContact O-N 3.44Å; L668-M674 HydrophobicContact CD1-CB 4.45Å; L668-M674 HydrophobicContact CD1-CG 4.32Å; L668-M674 HydrophobicContact CD1-SD 3.57Å; L668-M674 VanDerWaalsContact CD1-SD 3.57Å; L668-P698 HydrophobicContact CB-CB 3.87Å; L668-P698 HydrophobicContact CB-CG 4.27Å; L668-P698 HydrophobicContact CD1-CB 4.09Å; L668-N728 HydrophobicContact CD2-CB 3.96Å; L668-L738 HydrophobicContact CD1-CD1 4.22Å; L668-L738 HydrophobicContact CD2-CD1 3.45Å; L668-L738 VanDerWaalsContact CD2-CD1 3.45Å; L668-L738 HydrophobicContact CG-CD1 3.71Å
669P63.2Low75.9Confident63 Ų6347 Ų4741%0.40926%0.256SS..  trans-65.6130.6168.3-1932.2000110.7D671 Q672P669-D671 PolarHBondContact O-N 2.91Å; P669-Q672 HydrophobicContact CB-CG 4.35Å; P669-Q672 PolarHBondContact O-N 3Å
670A58.4Low75.9Confident79 Ų7944.3 Ų44.365%0.65324%0.244SC*.THydrogen-bonded Turntrans-55.9-19.8-175.900000115.1L668L668-A670 PolarHBondContact O-N 3.44Å
671D63.5Low75.8Confident116 Ų11647.1 Ų47.162%0.6226%0.258SS*.THydrogen-bonded Turntrans-902.8-172.1-118.946.1000114.8P669 K731P669-D671 PolarHBondContact O-N 2.91Å; D671-K731 WeakPolarHBondContact OD2-CE 3.37Å; D671-K731 IonicContact OD2-NZ 2.69Å; D671-K731 PolarHBondContact OD2-NZ 2.98Å
672Q75.2Confident75.5Confident47 Ų4750.2 Ų50.222%0.2228%0.278CS..SBendtrans-122.9154.9-171.9-53.6-170.52200112.2P669 P698 N728P669-Q672 HydrophobicContact CB-CG 4.35Å; P669-Q672 PolarHBondContact O-N 3Å; Q672-P698 VanDerWaalsContact O-CD 3.22Å; Q672-P698 WeakPolarHBondContact O-CD 3.42Å; Q672-N728 VanDerWaalsContact CB-OD1 3.25Å; Q672-N728 WeakPolarHBondContact CB-OD1 3.43Å; Q672-N728 PolarHBondContact OE1-ND2 3.07Å
673K79.9Confident74.6Confident115 Ų11551.6 Ų51.650%0.529%0.289SS..EExtended strand (participates in β ladder)trans-98.3116.9-173.8-68.6-174.7-178.3-1780112.1L696 N728 T729K673-L696 CarbonylContact C-O 3.41Å; K673-L696 WeakPolarHBondContact CA-O 3.41Å; K673-N728 PolarHBondContact O-OD1 3.33Å; K673-T729 PolarHBondContact O-N 3.39Å; K673-T729 PolarHBondContact O-OG1 3.44Å
674M84.3Confident74.1Confident3 Ų357 Ų572%0.01532%0.322CS..EExtended strand (participates in β ladder)trans-81.4142.3172-175.7175.460.800110.5L660 L668 G695 L696 V702 I726 C727L660-M674 HydrophobicContact CD1-CE 3.58Å; L660-M674 HydrophobicContact CD1-SD 4.11Å; L668-M674 HydrophobicContact CD1-CB 4.45Å; L668-M674 HydrophobicContact CD1-CG 4.32Å; L668-M674 HydrophobicContact CD1-SD 3.57Å; L668-M674 VanDerWaalsContact CD1-SD 3.57Å; M674-G695 CarbonylContact O-C 3.55Å; M674-G695 WeakPolarHBondContact O-CA 3.29Å; M674-L696 PolarHBondContact N-O 2.92Å; M674-L696 PolarHBondContact O-N 3.22Å; M674-V702 HydrophobicContact CE-CG2 4.06Å; M674-I726 HydrophobicContact CG-CG2 3.7Å; M674-I726 HydrophobicContact SD-CD1 4.31Å; M674-I726 HydrophobicContact SD-CG2 3.64Å; M674-C727 CarbonylContact C-O 3.57Å; M674-C727 WeakPolarHBondContact CA-O 3.48Å
675H86Confident73.7Confident3 Ų359.3 Ų59.31%0.01433%0.325CS..EExtended strand (participates in β ladder)trans-144.8152.117066.1-83.8000110.4R692 C727 E735H675-R692 PolarHBondContact CD2-NE 3.2Å; H675-R692 PolarHBondContact CE1-NH2 3.06Å; H675-R692 PolarHBondContact ND1-NH2 3.27Å; H675-R692 PolarHBondContact NE2-NE 3.4Å; H675-R692 PolarHBondContact NE2-NH2 3.42Å; H675-C727 WeakPolarHBondContact CE1-CB 3.45Å; H675-C727 PolarHBondContact N-O 3.32Å; H675-C727 PolarHBondContact ND1-O 2.78Å; H675-C727 VanDerWaalsContact NE2-CB 3.33Å; H675-C727 WeakPolarHBondContact NE2-CB 3.5Å; H675-C727 PolarHBondContact O-N 3.43Å; H675-C727 VanDerWaalsContact O-O 3.09Å; H675-E735 IonicContact NE2-OE2 3.71Å
676V87.9Confident73.1Confident2 Ų260.9 Ų60.91%0.01234%0.338CS..EExtended strand (participates in β ladder)trans-93.7129.9173.7-174.10000108.6I657 L660 M678 R692 T693 I704 V724 I726I657-V676 HydrophobicContact CD1-CB 4.07Å; I657-V676 HydrophobicContact CD1-CG1 4.01Å; L660-V676 HydrophobicContact CD1-CG2 4.04Å; L660-V676 HydrophobicContact CD2-CG2 4.38Å; V676-M678 HydrophobicContact CG1-CG 4.35Å; V676-R692 WeakPolarHBondContact O-CA 3.38Å; V676-T693 HydrophobicContact CB-CG2 3.85Å; V676-T693 HydrophobicContact CG2-CG2 4.48Å; V676-T693 PolarHBondContact N-OG1 2.89Å; V676-T693 PolarHBondContact O-N 3.47Å; V676-I704 HydrophobicContact CG2-CD1 3.62Å; V676-V724 HydrophobicContact CG1-CG1 3.48Å; V676-V724 VanDerWaalsContact CG1-CG1 3.48Å; V676-I726 HydrophobicContact CG2-CG1 4.4Å
677R88.8Confident72.7Confident77 Ų7765.2 Ų65.229%0.29137%0.365SS..EExtended strand (participates in β ladder)trans-107.6132.3170.2-173.9-179.565.5-148.3-5.5109.1F691 D725 C737R677-F691 WeakPolarHBondContact CA-O 3.33Å; R677-D725 IonicContact CZ-OD2 3.35Å; R677-D725 PolarHBondContact N-O 3.45Å; R677-D725 IonicContact NE-OD2 3.25Å; R677-D725 IonicContact NH2-OD2 2.77Å; R677-D725 PolarHBondContact NH2-OD2 2.74Å; R677-D725 PolarHBondContact O-N 2.96Å; R677-C737 PolarHBondContact NH2-SG 3.38Å
678M88.9Confident72.8Confident1 Ų161.6 Ų61.61%0.00535%0.35CS..EExtended strand (participates in β ladder)trans-121140178.2-78.8170.444.600110.4V655 I657 V676 L690 F691 F708 L722 R723 V724V655-M678 HydrophobicContact CB-CE 3.71Å; V655-M678 HydrophobicContact CG1-CE 3.52Å; V655-M678 HydrophobicContact CG2-CE 4.12Å; I657-M678 HydrophobicContact CD1-SD 3.41Å; I657-M678 WeakPolarHBondContact CD1-SD 3.41Å; I657-M678 HydrophobicContact CG1-SD 3.58Å; I657-M678 VanDerWaalsContact CG1-SD 3.58Å; V676-M678 HydrophobicContact CG1-CG 4.35Å; M678-L690 WeakPolarHBondContact O-CA 3.38Å; M678-F691 HydrophobicContact CB-CB 4.24Å; M678-F691 HydrophobicContact CB-CD2 4.37Å; M678-F691 PolarHBondContact N-O 3.13Å; M678-F691 PolarHBondContact O-N 3.4Å; M678-F708 HydrophobicContact CE-CD2 4.41Å; M678-F708 HydrophobicContact SD-CD2 4.38Å; M678-L722 HydrophobicContact CB-CD1 4Å; M678-L722 HydrophobicContact CE-CD1 3.81Å; M678-L722 HydrophobicContact CE-CD2 4.16Å; M678-L722 HydrophobicContact CG-CD1 4.15Å; M678-R723 WeakPolarHBondContact CA-O 3.27Å; M678-V724 HydrophobicContact CG-CB 4.42Å; M678-V724 HydrophobicContact CG-CG1 4.02Å; M678-V724 HydrophobicContact CG-CG2 4.09Å
679A89.1Confident73.2Confident10 Ų1060.7 Ų60.78%0.08335%0.346CS..EExtended strand (participates in β ladder)trans-139.2123.3177.700000109.6L681 C689 L690 R723A679-L681 HydrophobicContact CB-CD2 4.13Å; A679-C689 WeakPolarHBondContact CA-O 3.48Å; A679-L690 HydrophobicContact CB-CD2 3.38Å; A679-R723 HydrophobicContact CB-CB 4.41Å; A679-R723 PolarHBondContact N-O 2.94Å; A679-R723 PolarHBondContact O-N 3.32Å
680V86.3Confident74.1Confident1 Ų161.7 Ų61.71%0.00635%0.348CS..EExtended strand (participates in β ladder)trans-95.6118.7172.1-176.20000108.9C689 M710 K720 T721 L722 L745V680-C689 PolarHBondContact N-O 2.88Å; V680-M710 HydrophobicContact CB-CE 3.72Å; V680-M710 HydrophobicContact CB-SD 4.44Å; V680-M710 HydrophobicContact CG1-CE 4.35Å; V680-M710 HydrophobicContact CG1-SD 4.46Å; V680-M710 HydrophobicContact CG2-CE 3.45Å; V680-M710 VanDerWaalsContact CG2-CE 3.45Å; V680-M710 HydrophobicContact CG2-SD 4.41Å; V680-K720 HydrophobicContact CG1-CB 3.64Å; V680-K720 HydrophobicContact CG1-CD 3.75Å; V680-K720 HydrophobicContact CG1-CG 4Å; V680-T721 WeakPolarHBondContact CA-O 3.49Å; V680-L722 HydrophobicContact CG2-CB 4.47Å; V680-L722 HydrophobicContact CG2-CD1 3.85Å; V680-L745 HydrophobicContact CG1-CD1 3.84Å; V680-L745 HydrophobicContact CG2-CD1 4.46Å
681L85.1Confident75.4Confident60 Ų6059.4 Ų59.431%0.31432%0.323SS..EExtended strand (participates in β ladder)trans-111.7143-171.4-52.9177000110.1A679 P683 K720 T721 R723A679-L681 HydrophobicContact CB-CD2 4.13Å; L681-P683 HydrophobicContact CD2-CG 4.35Å; L681-K720 CarbonylContact O-C 3.59Å; L681-K720 VanDerWaalsContact O-CA 3.24Å; L681-K720 WeakPolarHBondContact O-CA 3.24Å; L681-T721 PolarHBondContact N-O 3.07Å; L681-T721 PolarHBondContact O-N 2.75Å; L681-R723 HydrophobicContact CD1-CB 4.23Å
682P76.5Confident76.5Confident87 Ų8759.4 Ų59.457%0.56531%0.314SS*.SBendcis-69.5139.3-4.9-18.132.9000112.6V684P682-V684 PolarHBondContact O-N 3.49Å
683P63.8Low77.1Confident71 Ų7157.4 Ų57.446%0.46131%0.306SS..  trans-78.5109.4178.131.4-31.2000109.8L681 Q685 C689L681-P683 HydrophobicContact CD2-CG 4.35Å; P683-Q685 VanDerWaalsContact C-N 3.35Å; P683-C689 HydrophobicContact CB-CB 4.12Å
684V58.8Low77.3Confident117 Ų11761.2 Ų61.271%0.70932%0.317SS*.SBendtrans-73-32.5177.1-174.70000111.1P682P682-V684 PolarHBondContact O-N 3.49Å
685Q58.1Low77Confident122 Ų12263 Ų6357%0.5734%0.336SS*.SBendtrans-142.6132170.6-69.8177-18.800108.3P683 T687P683-Q685 VanDerWaalsContact C-N 3.35Å; Q685-T687 VanDerWaalsContact C-N 3.32Å; Q685-T687 PolarHBondContact O-N 3.24Å
686A54Low76.6Confident69 Ų6965.3 Ų65.357%0.5735%0.348SS*.THydrogen-bonded Turntrans-64.4-32.1-169.900000114L690A686-L690 WeakPolarHBondContact O-CD1 3.42Å; A686-L690 VanDerWaalsContact O-CG 3.26Å; A686-L690 WeakPolarHBondContact O-CG 3.41Å
687T56.3Low75.9Confident109 Ų10970.7 Ų70.767%0.66938%0.376SS*.THydrogen-bonded Turntrans-77.5-30.9-174.847.30000114.5Q685Q685-T687 VanDerWaalsContact C-N 3.32Å; Q685-T687 PolarHBondContact O-N 3.24Å
688H61.7Low74.9Confident114 Ų11468.7 Ų68.753%0.52837%0.373SS..THydrogen-bonded Turntrans-100.2-3.5-174.3-64.1-68.5000114M710H688-M710 WeakPolarHBondContact O-CB 3.19Å
689C72.2Confident74.1Confident8 Ų875.4 Ų75.45%0.05440%0.404CS..SBendtrans-114.9-4.1-178.6-62.60000113.9A679 V680 P683A679-C689 WeakPolarHBondContact CA-O 3.48Å; V680-C689 PolarHBondContact N-O 2.88Å; P683-C689 HydrophobicContact CB-CB 4.12Å
690L82.3Confident73.4Confident85 Ų8578.3 Ų78.345%0.44542%0.419SS..EExtended strand (participates in β ladder)trans-116133.7179.4-60.8-179.5000110.3M678 A679 A686M678-L690 WeakPolarHBondContact O-CA 3.38Å; A679-L690 HydrophobicContact CB-CD2 3.38Å; A686-L690 WeakPolarHBondContact O-CD1 3.42Å; A686-L690 VanDerWaalsContact O-CG 3.26Å; A686-L690 WeakPolarHBondContact O-CG 3.41Å
691F84.4Confident73.1Confident31 Ų3181.8 Ų81.814%0.13644%0.439CS..EExtended strand (participates in β ladder)trans-134.9157.6179.4-50.4-73.8000111.7R677 M678 F708 M710R677-F691 WeakPolarHBondContact CA-O 3.33Å; M678-F691 HydrophobicContact CB-CB 4.24Å; M678-F691 HydrophobicContact CB-CD2 4.37Å; M678-F691 PolarHBondContact N-O 3.13Å; M678-F691 PolarHBondContact O-N 3.4Å; F691-F708 HydrophobicContact CB-CB 4.24Å; F691-F708 HydrophobicContact CB-CD1 3.61Å; F691-F708 HydrophobicContact CB-CD2 4.09Å; F691-F708 HydrophobicContact CB-CE1 3.94Å; F691-F708 HydrophobicContact CB-CE2 4.39Å; F691-F708 HydrophobicContact CB-CG 3.68Å; F691-F708 HydrophobicContact CB-CZ 4.32Å; F691-F708 HydrophobicContact CD1-CB 3.75Å; F691-F708 AromaticContact CD1-CD1 3.53Å; F691-F708 HydrophobicContact CD1-CD1 3.53Å; F691-F708 HydrophobicContact CD1-CE1 4.43Å; F691-F708 AromaticContact CD1-CG 3.85Å; F691-F708 HydrophobicContact CD1-CG 3.85Å; F691-F708 HydrophobicContact CD2-CB 3.95Å; F691-F708 HydrophobicContact CD2-CG 4.32Å; F691-F708 HydrophobicContact CE1-CB 4.04Å; F691-F708 HydrophobicContact CE1-CD1 4.42Å; F691-F708 HydrophobicContact CE2-CB 4.23Å; F691-F708 HydrophobicContact CG-CB 3.69Å; F691-F708 AromaticContact CG-CD1 3.72Å; F691-F708 HydrophobicContact CG-CD1 3.72Å; F691-F708 HydrophobicContact CG-CD2 4.46Å; F691-F708 AromaticContact CG-CG 3.68Å; F691-F708 HydrophobicContact CG-CG 3.68Å; F691-F708 HydrophobicContact CZ-CB 4.27Å; F691-M710 HydrophobicContact CE2-CE 3.54Å; F691-M710 HydrophobicContact CZ-CB 4.24Å; F691-M710 HydrophobicContact CZ-CE 3.8Å
692R86.7Confident72.9Confident115 Ų11579.4 Ų79.443%0.43443%0.428SS..EExtended strand (participates in β ladder)trans-149.5131.4-177.8171.5169.5-175.1166.18.6109.5H675 V676 E735H675-R692 PolarHBondContact CD2-NE 3.2Å; H675-R692 PolarHBondContact CE1-NH2 3.06Å; H675-R692 PolarHBondContact ND1-NH2 3.27Å; H675-R692 PolarHBondContact NE2-NE 3.4Å; H675-R692 PolarHBondContact NE2-NH2 3.42Å; V676-R692 WeakPolarHBondContact O-CA 3.38Å; R692-E735 IonicContact CZ-OE1 2.68Å; R692-E735 IonicContact CZ-OE2 2.68Å; R692-E735 IonicContact NH1-OE1 3.48Å; R692-E735 PolarHBondContact NH1-OE1 3.36Å; R692-E735 IonicContact NH1-OE2 3.1Å; R692-E735 PolarHBondContact NH1-OE2 3.08Å; R692-E735 IonicContact NH2-OE1 3.5Å; R692-E735 PolarHBondContact NH2-OE1 3.49Å; R692-E735 IonicContact NH2-OE2 2.67Å
693T88.3Confident73.2Confident6 Ų678.5 Ų78.54%0.03743%0.427CS..PPolyproline II helixtrans-75.7167.2173.468.10000112I657 V676 I704 E706 F708I657-T693 HydrophobicContact CD1-CG2 3.44Å; I657-T693 VanDerWaalsContact CD1-CG2 3.44Å; V676-T693 HydrophobicContact CB-CG2 3.85Å; V676-T693 HydrophobicContact CG2-CG2 4.48Å; V676-T693 PolarHBondContact N-OG1 2.89Å; V676-T693 PolarHBondContact O-N 3.47Å; T693-I704 HydrophobicContact CG2-CG2 3.83Å; T693-E706 WeakPolarHBondContact CA-OE2 3.28Å; T693-F708 HydrophobicContact CG2-CE2 4.1Å; T693-F708 HydrophobicContact CG2-CZ 4.24Å
694R83.2Confident74.1Confident195 Ų19576 Ų7674%0.73641%0.41SS*.PPolyproline II helixtrans-59.4152.6162.4-62.8167.8-175.5-149.6-2.4110.2E706R694-E706 VanDerWaalsContact CB-OE1 3.3Å; R694-E706 WeakPolarHBondContact CB-OE1 3.46Å; R694-E706 VanDerWaalsContact CG-OE1 3.28Å; R694-E706 WeakPolarHBondContact CG-OE1 3.49Å; R694-E706 PolarHBondContact N-OE1 3.16Å
695G78.2Confident75.4Confident40 Ų4075.8 Ų75.841%0.41241%0.405SS..PPolyproline II helixtrans-79.3116.7176.800000111.2M674M674-G695 CarbonylContact O-C 3.55Å; M674-G695 WeakPolarHBondContact O-CA 3.29Å
696L77.6Confident76.8Confident52 Ų5271.7 Ų71.727%0.27239%0.386SS..BIsolated β-bridgetrans-108.5159.4-177.6-63.1166.7000110K673 M674 V702 I704K673-L696 CarbonylContact C-O 3.41Å; K673-L696 WeakPolarHBondContact CA-O 3.41Å; M674-L696 PolarHBondContact N-O 2.92Å; M674-L696 PolarHBondContact O-N 3.22Å; L696-V702 HydrophobicContact CB-CG1 4.32Å; L696-V702 HydrophobicContact CD1-CG1 3.72Å; L696-I704 HydrophobicContact CD1-CB 4.43Å; L696-I704 HydrophobicContact CD1-CD1 4.25Å; L696-I704 HydrophobicContact CD1-CG1 3.75Å; L696-I704 HydrophobicContact CD1-CG2 4.44Å
697L74.9Confident78.5Confident115 Ų11572 Ų7260%0.60238%0.38SS*.  trans-82.9146.8173-69.3171.7000110.2Q699L697-Q699 PolarHBondContact O-N 3.31Å
698P66.2Low80.1Confident34 Ų3468.2 Ų68.222%0.22135%0.354CS..  trans-69.8114.9178.228.8-35.3000110.7L668 Q672L668-P698 HydrophobicContact CB-CB 3.87Å; L668-P698 HydrophobicContact CB-CG 4.27Å; L668-P698 HydrophobicContact CD1-CB 4.09Å; Q672-P698 VanDerWaalsContact O-CD 3.22Å; Q672-P698 WeakPolarHBondContact O-CD 3.42Å
699Q72.8Confident81.2Confident143 Ų14364.9 Ų64.967%0.66835%0.351SS*.  trans-126.4155.3166.6-171.3171.312.700107C663 L697 V701 V702C663-Q699 VanDerWaalsContact CB-O 3.31Å; C663-Q699 WeakPolarHBondContact CB-O 3.26Å; L697-Q699 PolarHBondContact O-N 3.31Å; Q699-V701 VanDerWaalsContact C-N 3.28Å; Q699-V701 PolarHBondContact O-N 2.85Å; Q699-V702 HydrophobicContact CB-CG2 4.06Å; Q699-V702 VanDerWaalsContact O-CG2 3.27Å; Q699-V702 WeakPolarHBondContact O-CG2 3.41Å
700D73.5Confident82Confident71 Ų7164.9 Ų64.938%0.3835%0.35SS..SBendtrans-64.8-34.3-171.6-16859000113.2S661 N662 C663 S664S661-D700 CarbonylContact C-O 3.41Å; N662-D700 WeakPolarHBondContact CA-OD1 3.39Å; N662-D700 PolarHBondContact N-O 3.13Å; C663-D700 PolarHBondContact N-O 2.88Å; C663-D700 PolarHBondContact N-OD1 3.46Å; C663-D700 VanDerWaalsContact N-OD1 3.16Å; C663-D700 PolarHBondContact SG-O 3.05Å; C663-D700 VanDerWaalsContact SG-O 3.39Å; S664-D700 WeakPolarHBondContact CB-OD1 3.46Å; S664-D700 PolarHBondContact N-OD1 3.48Å; S664-D700 PolarHBondContact OG-OD1 2.75Å
701V79.8Confident82.1Confident73 Ų7368.6 Ų68.644%0.44237%0.365SS..SBendtrans-117.2129.2164.7-178.10000108.8L660 Q699L660-V701 CarbonylContact O-C 3.56Å; L660-V701 WeakPolarHBondContact O-CA 3.26Å; L660-V701 WeakPolarHBondContact O-CG1 3.08Å; Q699-V701 VanDerWaalsContact C-N 3.28Å; Q699-V701 PolarHBondContact O-N 2.85Å
702V82.2Confident82Confident11 Ų1167.6 Ų67.67%0.06736%0.362CS..EExtended strand (participates in β ladder)trans-128.3113.2-179.7-1770000109.9Q659 L660 M674 L696 Q699 I704Q659-V702 CarbonylContact C-O 3.57Å; Q659-V702 WeakPolarHBondContact CA-O 3.36Å; Q659-V702 WeakPolarHBondContact CB-O 3.48Å; L660-V702 HydrophobicContact CB-CB 4.43Å; L660-V702 PolarHBondContact N-O 2.76Å; L660-V702 PolarHBondContact O-N 3.07Å; M674-V702 HydrophobicContact CE-CG2 4.06Å; L696-V702 HydrophobicContact CB-CG1 4.32Å; L696-V702 HydrophobicContact CD1-CG1 3.72Å; Q699-V702 HydrophobicContact CB-CG2 4.06Å; Q699-V702 VanDerWaalsContact O-CG2 3.27Å; Q699-V702 WeakPolarHBondContact O-CG2 3.41Å; V702-I704 HydrophobicContact CG1-CG1 4.18Å
703A82.9Confident82Confident67 Ų6764.8 Ų64.855%0.55436%0.36SS*.EExtended strand (participates in β ladder)trans-76.9122.2168.900000110.1
704I82.4Confident81.9Confident20 Ų2065.4 Ų65.410%0.10336%0.362CS..EExtended strand (participates in β ladder)trans-102.9-49.3-177.9-59.1-170.6000110.1I657 M658 L660 V676 T693 L696 V702 E706I657-I704 HydrophobicContact CB-CB 4.48Å; I657-I704 HydrophobicContact CB-CG2 4.2Å; I657-I704 HydrophobicContact CG2-CB 4.04Å; I657-I704 HydrophobicContact CG2-CD1 3.9Å; I657-I704 HydrophobicContact CG2-CG1 4.42Å; I657-I704 HydrophobicContact CG2-CG2 4.1Å; M658-I704 PolarHBondContact O-N 3.27Å; L660-I704 HydrophobicContact CD1-CD1 3.82Å; L660-I704 HydrophobicContact CG-CD1 3.82Å; V676-I704 HydrophobicContact CG2-CD1 3.62Å; T693-I704 HydrophobicContact CG2-CG2 3.83Å; L696-I704 HydrophobicContact CD1-CB 4.43Å; L696-I704 HydrophobicContact CD1-CD1 4.25Å; L696-I704 HydrophobicContact CD1-CG1 3.75Å; L696-I704 HydrophobicContact CD1-CG2 4.44Å; V702-I704 HydrophobicContact CG1-CG1 4.18Å; I704-E706 HydrophobicContact CG2-CB 3.98Å; I704-E706 HydrophobicContact CG2-CG 3.96Å; I704-E706 PolarHBondContact O-N 3.19Å; I704-E706 VanDerWaalsContact O-N 3.07Å
705N85.4Confident81.8Confident112 Ų11262 Ų6260%0.59936%0.359SS*.EExtended strand (participates in β ladder)trans48.429.4-179.3-65.4-50.7000115.6I657 M658I657-N705 CarbonylContact O-C 3.58Å; I657-N705 WeakPolarHBondContact O-CA 3.49Å; I657-N705 PolarHBondContact O-N 3.35Å; M658-N705 PolarHBondContact O-N 3.34Å; M658-N705 PolarHBondContact O-OD1 3.08Å
706E88.7Confident82Confident36 Ų3661.1 Ų61.117%0.16835%0.349CS..EExtended strand (participates in β ladder)trans-86.7151.2174.7-72.1-167.5-146.500111.7I657 T693 R694 I704 F708I657-E706 PolarHBondContact N-O 2.79Å; I657-E706 PolarHBondContact O-N 3.17Å; T693-E706 WeakPolarHBondContact CA-OE2 3.28Å; R694-E706 VanDerWaalsContact CB-OE1 3.3Å; R694-E706 WeakPolarHBondContact CB-OE1 3.46Å; R694-E706 VanDerWaalsContact CG-OE1 3.28Å; R694-E706 WeakPolarHBondContact CG-OE1 3.49Å; R694-E706 PolarHBondContact N-OE1 3.16Å; I704-E706 HydrophobicContact CG2-CB 3.98Å; I704-E706 HydrophobicContact CG2-CG 3.96Å; I704-E706 PolarHBondContact O-N 3.19Å; I704-E706 VanDerWaalsContact O-N 3.07Å; E706-F708 HydrophobicContact CB-CE2 4.03Å; E706-F708 HydrophobicContact CB-CZ 4.15Å; E706-F708 WeakPolarHBondContact OE2-CZ 3.5Å
707V89.2Confident82.3Confident76 Ų7658.7 Ų58.746%0.46134%0.337SS..EExtended strand (participates in β ladder)trans-131.7124.5-171.4-1700000110.2I654 V655 Y656I654-V707 HydrophobicContact CG2-CG1 3.48Å; I654-V707 VanDerWaalsContact CG2-CG1 3.48Å; V655-V707 WeakPolarHBondContact O-CA 3.34Å; Y656-V707 HydrophobicContact CD1-CB 4.29Å; Y656-V707 HydrophobicContact CD1-CG1 3.88Å; Y656-V707 HydrophobicContact CD1-CG2 3.49Å; Y656-V707 VanDerWaalsContact CD1-CG2 3.49Å; Y656-V707 HydrophobicContact CE1-CB 4.29Å; Y656-V707 HydrophobicContact CE1-CG1 3.59Å; Y656-V707 HydrophobicContact CE1-CG2 3.63Å; Y656-V707 HydrophobicContact CE2-CG1 4.4Å; Y656-V707 HydrophobicContact CG-CG1 4.37Å; Y656-V707 HydrophobicContact CG-CG2 4.43Å
708F89.1Confident82.8Confident28 Ų2859.2 Ų59.212%0.12333%0.331CS..EExtended strand (participates in β ladder)trans-119.6131.7-177.6-62.4-68.4000110.7I654 V655 I657 M678 F691 T693 E706I654-F708 CarbonylContact C-O 3.5Å; I654-F708 WeakPolarHBondContact CA-O 3.38Å; V655-F708 PolarHBondContact N-O 3.49Å; V655-F708 PolarHBondContact O-N 2.86Å; I657-F708 HydrophobicContact CD1-CD2 4.23Å; I657-F708 HydrophobicContact CD1-CE2 3.74Å; I657-F708 HydrophobicContact CG1-CD2 4.45Å; I657-F708 HydrophobicContact CG1-CE2 4.32Å; M678-F708 HydrophobicContact CE-CD2 4.41Å; M678-F708 HydrophobicContact SD-CD2 4.38Å; F691-F708 HydrophobicContact CB-CB 4.24Å; F691-F708 HydrophobicContact CB-CD1 3.61Å; F691-F708 HydrophobicContact CB-CD2 4.09Å; F691-F708 HydrophobicContact CB-CE1 3.94Å; F691-F708 HydrophobicContact CB-CE2 4.39Å; F691-F708 HydrophobicContact CB-CG 3.68Å; F691-F708 HydrophobicContact CB-CZ 4.32Å; F691-F708 HydrophobicContact CD1-CB 3.75Å; F691-F708 AromaticContact CD1-CD1 3.53Å; F691-F708 HydrophobicContact CD1-CD1 3.53Å; F691-F708 HydrophobicContact CD1-CE1 4.43Å; F691-F708 AromaticContact CD1-CG 3.85Å; F691-F708 HydrophobicContact CD1-CG 3.85Å; F691-F708 HydrophobicContact CD2-CB 3.95Å; F691-F708 HydrophobicContact CD2-CG 4.32Å; F691-F708 HydrophobicContact CE1-CB 4.04Å; F691-F708 HydrophobicContact CE1-CD1 4.42Å; F691-F708 HydrophobicContact CE2-CB 4.23Å; F691-F708 HydrophobicContact CG-CB 3.69Å; F691-F708 AromaticContact CG-CD1 3.72Å; F691-F708 HydrophobicContact CG-CD1 3.72Å; F691-F708 HydrophobicContact CG-CD2 4.46Å; F691-F708 AromaticContact CG-CG 3.68Å; F691-F708 HydrophobicContact CG-CG 3.68Å; F691-F708 HydrophobicContact CZ-CB 4.27Å; T693-F708 HydrophobicContact CG2-CE2 4.1Å; T693-F708 HydrophobicContact CG2-CZ 4.24Å; E706-F708 HydrophobicContact CB-CE2 4.03Å; E706-F708 HydrophobicContact CB-CZ 4.15Å; E706-F708 WeakPolarHBondContact OE2-CZ 3.5Å
709G86.3Confident83.6Confident44 Ų4465.5 Ų65.545%0.45436%0.357SS..EExtended strand (participates in β ladder)trans-125.1140.1-178.900000112.2F653F653-G709 CarbonylContact O-C 3.43Å; F653-G709 WeakPolarHBondContact O-CA 3.37Å
710M87.3Confident84.3Confident9 Ų959.7 Ų59.74%0.04433%0.33CS..EExtended strand (participates in β ladder)trans-131.4155.5170.864.7174.460.700111.6R652 F653 V680 H688 F691 T712R652-M710 CarbonylContact C-O 3.53Å; R652-M710 VanDerWaalsContact CA-O 3.32Å; R652-M710 WeakPolarHBondContact CA-O 3.24Å; R652-M710 WeakPolarHBondContact CG-O 3.2Å; F653-M710 HydrophobicContact CB-CG 3.97Å; F653-M710 HydrophobicContact CD1-CG 4.17Å; F653-M710 HydrophobicContact CD1-SD 4.19Å; F653-M710 PolarHBondContact N-O 2.8Å; F653-M710 PolarHBondContact O-N 2.8Å; V680-M710 HydrophobicContact CB-CE 3.72Å; V680-M710 HydrophobicContact CB-SD 4.44Å; V680-M710 HydrophobicContact CG1-CE 4.35Å; V680-M710 HydrophobicContact CG1-SD 4.46Å; V680-M710 HydrophobicContact CG2-CE 3.45Å; V680-M710 VanDerWaalsContact CG2-CE 3.45Å; V680-M710 HydrophobicContact CG2-SD 4.41Å; H688-M710 WeakPolarHBondContact O-CB 3.19Å; F691-M710 HydrophobicContact CE2-CE 3.54Å; F691-M710 HydrophobicContact CZ-CB 4.24Å; F691-M710 HydrophobicContact CZ-CE 3.8Å; M710-T712 HydrophobicContact CG-CG2 4Å; M710-T712 HydrophobicContact SD-CG2 4.01Å
711Q84.3Confident85.1Confident162 Ų16258 Ų5876%0.75732%0.322SS*.EExtended strand (participates in β ladder)trans-90.2122.5168.6-157.4160.231.600109.4D650 Q651D650-Q711 PolarHBondContact O-NE2 3.03Å; Q651-Q711 CarbonylContact O-C 3.56Å; Q651-Q711 WeakPolarHBondContact O-CA 3.43Å
712T84Confident85.6Confident11 Ų1154.5 Ų54.57%0.06730%0.301CS..  trans-161.5137.8179.9-1760000109Y646 Q651 F653 M710 L717 K720Y646-T712 WeakPolarHBondContact CE2-O 3.45Å; Y646-T712 PolarHBondContact OH-O 2.8Å; Q651-T712 CarbonylContact C-O 3.6Å; Q651-T712 CarbonylContact O-C 3.57Å; Q651-T712 PolarHBondContact O-N 2.58Å; F653-T712 HydrophobicContact CB-CG2 3.66Å; M710-T712 HydrophobicContact CG-CG2 4Å; M710-T712 HydrophobicContact SD-CG2 4.01Å; T712-L717 HydrophobicContact CG2-CB 4.38Å; T712-L717 HydrophobicContact CG2-CD1 4.16Å; T712-K720 PolarHBondContact OG1-NZ 3.42Å
713S86.7Confident86Confident55 Ų5558.2 Ų58.239%0.38531%0.313SS..  trans-68156.1172.6680000111.1N715 G716 L717S713-N715 PolarHBondContact O-N 2.88Å; S713-G716 CarbonylContact O-C 3.58Å; S713-G716 PolarHBondContact O-N 3.39Å; S713-G716 PolarHBondContact OG-N 3.32Å; S713-L717 PolarHBondContact O-N 3.45Å
714H84.4Confident86.4Confident19 Ų1955 Ų559%0.08829%0.287CS..Hα-helixtrans-63.1-43.1-177.9-167.5-103.8000112.9Y646 G716 L717 R718 V748 C750Y646-H714 AromaticContact CD1-CD2 3.64Å; Y646-H714 HydrophobicContact CE1-CB 3.79Å; Y646-H714 AromaticContact CE1-CD2 3.73Å; Y646-H714 HydrophobicContact CE2-CB 4.49Å; Y646-H714 AromaticContact CG-CD2 3.96Å; Y646-H714 PolarHBondContact OH-N 2.76Å; Y646-H714 VanDerWaalsContact OH-N 3.09Å; H714-G716 VanDerWaalsContact C-N 3.27Å; H714-G716 PolarHBondContact O-N 2.85Å; H714-L717 WeakPolarHBondContact O-CA 3.08Å; H714-L717 WeakPolarHBondContact O-CB 3.25Å; H714-L717 PolarHBondContact O-N 2.86Å; H714-R718 PolarHBondContact CE1-NE 2.7Å; H714-R718 VanDerWaalsContact CE1-NE 3.3Å; H714-R718 PolarHBondContact O-N 3.44Å; H714-V748 PolarHBondContact CE1-O 2.9Å; H714-V748 PolarHBondContact NE2-O 2.94Å; H714-C750 PolarHBondContact CE1-SG 2.84Å; H714-C750 PolarHBondContact ND1-SG 3.4Å
715N82.4Confident86.7Confident125 Ų12554.4 Ų54.467%0.66828%0.284SS*.Hα-helixtrans-62-38.1175.7-66.4-2.7000111.3S713 L717S713-N715 PolarHBondContact O-N 2.88Å; N715-L717 VanDerWaalsContact C-N 3.32Å
716G82.4Confident86.9Confident21 Ų2149.1 Ų49.122%0.21626%0.256CS..Hα-helixtrans-71.1-23.4172.800000113.9S713 H714 K720S713-G716 CarbonylContact O-C 3.58Å; S713-G716 PolarHBondContact O-N 3.39Å; S713-G716 PolarHBondContact OG-N 3.32Å; H714-G716 VanDerWaalsContact C-N 3.27Å; H714-G716 PolarHBondContact O-N 2.85Å; G716-K720 WeakPolarHBondContact O-CD 3.36Å; G716-K720 WeakPolarHBondContact O-CE 3.45Å; G716-K720 WeakPolarHBondContact O-CG 3.15Å
717L84.3Confident86.7Confident0 Ų047.4 Ų47.40%025%0.248CC..Hα-helixtrans-74.8-41.8174-175.466.5000111.6Y646 F653 T712 S713 H714 N715 Q719 K720 L745 V748Y646-L717 HydrophobicContact CD2-CD2 3.77Å; Y646-L717 HydrophobicContact CE2-CD2 4.43Å; Y646-L717 HydrophobicContact CG-CD2 4.32Å; F653-L717 HydrophobicContact CB-CD1 4.12Å; F653-L717 HydrophobicContact CB-CD2 4.29Å; F653-L717 HydrophobicContact CD1-CD1 3.62Å; F653-L717 HydrophobicContact CD2-CD1 3.92Å; F653-L717 HydrophobicContact CD2-CD2 3.57Å; F653-L717 HydrophobicContact CD2-CG 4.41Å; F653-L717 HydrophobicContact CE1-CD1 3.9Å; F653-L717 HydrophobicContact CE2-CD1 4.19Å; F653-L717 HydrophobicContact CE2-CD2 4.02Å; F653-L717 HydrophobicContact CG-CD1 3.62Å; F653-L717 HydrophobicContact CG-CD2 3.97Å; F653-L717 HydrophobicContact CG-CG 4.48Å; F653-L717 HydrophobicContact CZ-CD1 4.17Å; T712-L717 HydrophobicContact CG2-CB 4.38Å; T712-L717 HydrophobicContact CG2-CD1 4.16Å; S713-L717 PolarHBondContact O-N 3.45Å; H714-L717 WeakPolarHBondContact O-CA 3.08Å; H714-L717 WeakPolarHBondContact O-CB 3.25Å; H714-L717 PolarHBondContact O-N 2.86Å; N715-L717 VanDerWaalsContact C-N 3.32Å; L717-Q719 PolarHBondContact O-N 2.96Å; L717-Q719 VanDerWaalsContact O-N 3.17Å; L717-K720 WeakPolarHBondContact O-CB 3.49Å; L717-K720 PolarHBondContact O-N 3.47Å; L717-L745 HydrophobicContact CD1-CB 4.13Å; L717-L745 HydrophobicContact CD1-CD1 3.67Å; L717-L745 HydrophobicContact CG-CB 4.23Å; L717-L745 WeakPolarHBondContact O-CB 3.5Å; L717-V748 HydrophobicContact CD2-CB 4.05Å; L717-V748 HydrophobicContact CD2-CG1 3.9Å
718R84.3Confident86.6Confident127 Ų12744.2 Ų44.248%0.47923%0.228SC..Hα-helixtrans-61.1-25.7-179.1-71.7-172179.1-96.316.7114.3H714 A746H714-R718 PolarHBondContact CE1-NE 2.7Å; H714-R718 VanDerWaalsContact CE1-NE 3.3Å; H714-R718 PolarHBondContact O-N 3.44Å; R718-A746 PolarHBondContact NH1-O 2.85Å; R718-A746 WeakPolarHBondContact O-CA 3.31Å
719Q83.6Confident86.1Confident166 Ų16644.5 Ų44.578%0.77623%0.232SC*.THydrogen-bonded Turntrans-90.4-0.9177.6-64.3178.9-13.300113.1L717L717-Q719 PolarHBondContact O-N 2.96Å; L717-Q719 VanDerWaalsContact O-N 3.17Å
720K87.8Confident85.5Confident21 Ų2144 Ų449%0.09122%0.222CC..  trans-100156.6-177.9-76.5168.6-176.6-179.40112.2V680 L681 T712 G716 L717 L745V680-K720 HydrophobicContact CG1-CB 3.64Å; V680-K720 HydrophobicContact CG1-CD 3.75Å; V680-K720 HydrophobicContact CG1-CG 4Å; L681-K720 CarbonylContact O-C 3.59Å; L681-K720 VanDerWaalsContact O-CA 3.24Å; L681-K720 WeakPolarHBondContact O-CA 3.24Å; T712-K720 PolarHBondContact OG1-NZ 3.42Å; G716-K720 WeakPolarHBondContact O-CD 3.36Å; G716-K720 WeakPolarHBondContact O-CE 3.45Å; G716-K720 WeakPolarHBondContact O-CG 3.15Å; L717-K720 WeakPolarHBondContact O-CB 3.49Å; L717-K720 PolarHBondContact O-N 3.47Å; K720-L745 HydrophobicContact CB-CD1 4.2Å; K720-L745 WeakPolarHBondContact O-CB 3.31Å; K720-L745 PolarHBondContact O-N 2.79Å; K720-L745 VanDerWaalsContact O-N 3.08Å
721T89.8Confident84.6Confident35 Ų3551.4 Ų51.422%0.21525%0.254CS..EExtended strand (participates in β ladder)trans-127.1127.4177.8-600000109.1V680 L681 Q742 I743V680-T721 WeakPolarHBondContact CA-O 3.49Å; L681-T721 PolarHBondContact N-O 3.07Å; L681-T721 PolarHBondContact O-N 2.75Å; T721-Q742 HydrophobicContact CG2-CG 3.31Å; T721-I743 CarbonylContact C-O 3.59Å; T721-I743 WeakPolarHBondContact CA-O 3.5Å; T721-I743 WeakPolarHBondContact CG2-O 3.46Å
722L90.5Very high83.9Confident0 Ų048.1 Ų48.10%025%0.248CC..EExtended strand (participates in β ladder)trans-84.5113.9171.1172.364.1000109.7L642 F644 V655 M678 V680 V724 I743 L745L642-L722 HydrophobicContact CD1-CD2 4.33Å; F644-L722 HydrophobicContact CE1-CD2 3.8Å; F644-L722 HydrophobicContact CZ-CD2 4.46Å; V655-L722 HydrophobicContact CG1-CD2 4.26Å; M678-L722 HydrophobicContact CB-CD1 4Å; M678-L722 HydrophobicContact CE-CD1 3.81Å; M678-L722 HydrophobicContact CE-CD2 4.16Å; M678-L722 HydrophobicContact CG-CD1 4.15Å; V680-L722 HydrophobicContact CG2-CB 4.47Å; V680-L722 HydrophobicContact CG2-CD1 3.85Å; L722-V724 HydrophobicContact CD1-CG2 4.23Å; L722-V724 HydrophobicContact CD2-CG2 3.97Å; L722-V724 HydrophobicContact CG-CG2 3.76Å; L722-I743 HydrophobicContact CB-CB 4.36Å; L722-I743 HydrophobicContact CD2-CD1 4.49Å; L722-I743 PolarHBondContact N-O 2.82Å; L722-I743 WeakPolarHBondContact O-CB 3.12Å; L722-I743 PolarHBondContact O-N 3.48Å; L722-L745 HydrophobicContact CB-CD1 4.12Å; L722-L745 HydrophobicContact CB-CD2 3.9Å; L722-L745 HydrophobicContact CB-CG 4.19Å
723R90.4Very high83.1Confident88 Ų8850.4 Ų50.433%0.33227%0.274SS..EExtended strand (participates in β ladder)trans-86.3136.4162.7-175.1-177.2-171.5124.311.2109.3M678 A679 L681 D725 A741M678-R723 WeakPolarHBondContact CA-O 3.27Å; A679-R723 HydrophobicContact CB-CB 4.41Å; A679-R723 PolarHBondContact N-O 2.94Å; A679-R723 PolarHBondContact O-N 3.32Å; L681-R723 HydrophobicContact CD1-CB 4.23Å; R723-D725 IonicContact CZ-OD1 3.27Å; R723-D725 IonicContact NE-OD1 3.93Å; R723-D725 PolarHBondContact NE-OD1 2.85Å; R723-D725 IonicContact NE-OD2 3.67Å; R723-D725 PolarHBondContact NE-OD2 2.98Å; R723-D725 IonicContact NH2-OD1 3.86Å; R723-A741 WeakPolarHBondContact CA-O 3.38Å
724V90.9Very high82.4Confident1 Ų154.6 Ų54.61%0.00629%0.287CS..EExtended strand (participates in β ladder)trans-126.6119.7173.8-169.20000107.8L642 V676 M678 L722 G740 A741 I743L642-V724 HydrophobicContact CD1-CG2 3.94Å; V676-V724 HydrophobicContact CG1-CG1 3.48Å; V676-V724 VanDerWaalsContact CG1-CG1 3.48Å; M678-V724 HydrophobicContact CG-CB 4.42Å; M678-V724 HydrophobicContact CG-CG1 4.02Å; M678-V724 HydrophobicContact CG-CG2 4.09Å; L722-V724 HydrophobicContact CD1-CG2 4.23Å; L722-V724 HydrophobicContact CD2-CG2 3.97Å; L722-V724 HydrophobicContact CG-CG2 3.76Å; V724-G740 CarbonylContact O-C 3.56Å; V724-G740 WeakPolarHBondContact O-CA 3.39Å; V724-A741 PolarHBondContact N-O 3.4Å; V724-A741 PolarHBondContact O-N 3.03Å; V724-I743 HydrophobicContact CG2-CD1 4.01Å
725D89.6Confident82.2Confident7 Ų757.9 Ų57.94%0.03730%0.303CS..EExtended strand (participates in β ladder)trans-114.9136.8175-61.9-49000109.1R677 R723 A739 R764R677-D725 IonicContact CZ-OD2 3.35Å; R677-D725 PolarHBondContact N-O 3.45Å; R677-D725 IonicContact NE-OD2 3.25Å; R677-D725 IonicContact NH2-OD2 2.77Å; R677-D725 PolarHBondContact NH2-OD2 2.74Å; R677-D725 PolarHBondContact O-N 2.96Å; R723-D725 IonicContact CZ-OD1 3.27Å; R723-D725 IonicContact NE-OD1 3.93Å; R723-D725 PolarHBondContact NE-OD1 2.85Å; R723-D725 IonicContact NE-OD2 3.67Å; R723-D725 PolarHBondContact NE-OD2 2.98Å; R723-D725 IonicContact NH2-OD1 3.86Å; D725-A739 CarbonylContact C-O 3.55Å; D725-A739 WeakPolarHBondContact CA-O 3.38Å; D725-R764 IonicContact OD1-CZ 3.58Å; D725-R764 IonicContact OD1-NH2 2.7Å; D725-R764 PolarHBondContact OD1-NH2 3.03Å; D725-R764 IonicContact OD2-NH2 2.65Å; D725-R764 PolarHBondContact OD2-NH2 3.3Å; D725-R764 VanDerWaalsContact OD2-NH2 3.13Å
726I88.6Confident82.1Confident1 Ų157.6 Ų57.61%0.00530%0.297CS..EExtended strand (participates in β ladder)trans-85.9127.7160.2-74.1-178.9000108.1L660 L666 M674 V676 C737 L738 A739 L761L660-I726 HydrophobicContact CD1-CD1 3.8Å; L660-I726 HydrophobicContact CD1-CG1 4.42Å; L660-I726 HydrophobicContact CD2-CD1 3.95Å; L660-I726 HydrophobicContact CG-CD1 4.49Å; L666-I726 HydrophobicContact CD1-CB 4.41Å; L666-I726 HydrophobicContact CD1-CD1 3.8Å; L666-I726 HydrophobicContact CD1-CG2 3.92Å; M674-I726 HydrophobicContact CG-CG2 3.7Å; M674-I726 HydrophobicContact SD-CD1 4.31Å; M674-I726 HydrophobicContact SD-CG2 3.64Å; V676-I726 HydrophobicContact CG2-CG1 4.4Å; I726-C737 CarbonylContact O-C 3.59Å; I726-L738 PolarHBondContact O-N 3.13Å; I726-A739 PolarHBondContact N-O 3.09Å; I726-L761 HydrophobicContact CD1-CD1 3.32Å; I726-L761 HydrophobicContact CG1-CD1 3.83Å
727C85.4Confident82.1Confident0 Ų057.7 Ų57.70%030%0.295CS..EExtended strand (participates in β ladder)trans-123.5146.1-179.6-62.40000110.9M674 H675 E736M674-C727 CarbonylContact C-O 3.57Å; M674-C727 WeakPolarHBondContact CA-O 3.48Å; H675-C727 WeakPolarHBondContact CE1-CB 3.45Å; H675-C727 PolarHBondContact N-O 3.32Å; H675-C727 PolarHBondContact ND1-O 2.78Å; H675-C727 VanDerWaalsContact NE2-CB 3.33Å; H675-C727 WeakPolarHBondContact NE2-CB 3.5Å; H675-C727 PolarHBondContact O-N 3.43Å; H675-C727 VanDerWaalsContact O-O 3.09Å; C727-E736 CarbonylContact C-O 3.52Å; C727-E736 WeakPolarHBondContact CA-O 3.33Å
728N86.1Confident81.9Confident8 Ų859.2 Ų59.24%0.04330%0.303CS..EExtended strand (participates in β ladder)trans-115.1138.2175.4-179.825.7000109.8L668 Q672 K673 E735 E736 L738L668-N728 HydrophobicContact CD2-CB 3.96Å; Q672-N728 VanDerWaalsContact CB-OD1 3.25Å; Q672-N728 WeakPolarHBondContact CB-OD1 3.43Å; Q672-N728 PolarHBondContact OE1-ND2 3.07Å; K673-N728 PolarHBondContact O-OD1 3.33Å; N728-E735 WeakPolarHBondContact O-CA 3.35Å; N728-E736 PolarHBondContact N-O 3.14Å; N728-E736 PolarHBondContact O-N 3.02Å; N728-L738 HydrophobicContact CB-CD1 4.01Å; N728-L738 HydrophobicContact CB-CG 4.36Å
729T79.7Confident81.9Confident35 Ų3553.1 Ų53.122%0.21528%0.28CS..EExtended strand (participates in β ladder)trans-102.5111.8173.3620000110.6K673 E735K673-T729 PolarHBondContact O-N 3.39Å; K673-T729 PolarHBondContact O-OG1 3.44Å; T729-E735 HydrophobicContact CG2-CG 4.21Å
730S73.8Confident82.1Confident34 Ų3445.9 Ų45.924%0.23825%0.249CC..  trans-68.1160.7174.165.10000112.3S732 G733 H734S730-S732 PolarHBondContact O-N 2.98Å; S730-S732 VanDerWaalsContact O-N 3.11Å; S730-S732 PolarHBondContact OG-OG 2.76Å; S730-S732 VanDerWaalsContact OG-OG 3.12Å; S730-G733 PolarHBondContact O-N 2.84Å; S730-H734 PolarHBondContact N-O 3.03Å; S730-H734 PolarHBondContact OG-N 3.43Å; S730-H734 PolarHBondContact OG-O 3.2Å
731K67.7Low82.3Confident164 Ų16445.8 Ų45.871%0.71325%0.252SS*.THydrogen-bonded Turntrans-65.6-11178.1-64-176.5-179.3-179.80114.1D671D671-K731 WeakPolarHBondContact OD2-CE 3.37Å; D671-K731 IonicContact OD2-NZ 2.69Å; D671-K731 PolarHBondContact OD2-NZ 2.98Å
732S70.2Confident82.3Confident92 Ų9251 Ų5164%0.64327%0.274SS*.THydrogen-bonded Turntrans-93.91.6172.957.10000113.9S730 H734S730-S732 PolarHBondContact O-N 2.98Å; S730-S732 VanDerWaalsContact O-N 3.11Å; S730-S732 PolarHBondContact OG-OG 2.76Å; S730-S732 VanDerWaalsContact OG-OG 3.12Å; S732-H734 VanDerWaalsContact C-N 3.33Å; S732-H734 PolarHBondContact O-N 3.45Å
733G65.6Low82.3Confident59 Ų5951.4 Ų51.461%0.60828%0.277SS*.SBendtrans84.8-4-179.700000115.1S730S730-G733 PolarHBondContact O-N 2.84Å
734H72.1Confident82.3Confident143 Ų14350.4 Ų50.466%0.66228%0.283SS*.  trans-71.4136.6171-77.7-93.4000111.2S730 S732S730-H734 PolarHBondContact N-O 3.03Å; S730-H734 PolarHBondContact OG-N 3.43Å; S730-H734 PolarHBondContact OG-O 3.2Å; S732-H734 VanDerWaalsContact C-N 3.33Å; S732-H734 PolarHBondContact O-N 3.45Å
735E80.1Confident82.1Confident88 Ų8850.4 Ų50.441%0.41128%0.283SS..EExtended strand (participates in β ladder)trans-107.1123179.1-45.9-160.1145.800111H675 R692 N728 T729H675-E735 IonicContact NE2-OE2 3.71Å; R692-E735 IonicContact CZ-OE1 2.68Å; R692-E735 IonicContact CZ-OE2 2.68Å; R692-E735 IonicContact NH1-OE1 3.48Å; R692-E735 PolarHBondContact NH1-OE1 3.36Å; R692-E735 IonicContact NH1-OE2 3.1Å; R692-E735 PolarHBondContact NH1-OE2 3.08Å; R692-E735 IonicContact NH2-OE1 3.5Å; R692-E735 PolarHBondContact NH2-OE1 3.49Å; R692-E735 IonicContact NH2-OE2 2.67Å; N728-E735 WeakPolarHBondContact O-CA 3.35Å; T729-E735 HydrophobicContact CG2-CG 4.21Å
736E80.8Confident81.8Confident119 Ų11951.5 Ų51.556%0.55629%0.293SS*.EExtended strand (participates in β ladder)trans-112.7134.9-178.8-172.3171.3-164.900111C727 N728 L738C727-E736 CarbonylContact C-O 3.52Å; C727-E736 WeakPolarHBondContact CA-O 3.33Å; N728-E736 PolarHBondContact N-O 3.14Å; N728-E736 PolarHBondContact O-N 3.02Å; E736-L738 HydrophobicContact CG-CD2 4.11Å
737C82.1Confident81.4Confident24 Ų2457.5 Ų57.516%0.16233%0.325CS..EExtended strand (participates in β ladder)trans-96.798.7-177.6-54.40000109.9R677 I726 R764R677-C737 PolarHBondContact NH2-SG 3.38Å; I726-C737 CarbonylContact O-C 3.59Å; C737-R764 VanDerWaalsContact CB-CZ 3.42Å; C737-R764 VanDerWaalsContact O-CD 3.22Å; C737-R764 WeakPolarHBondContact O-CD 3.46Å
738L80.8Confident81.1Confident31 Ų3158.4 Ų58.416%0.16233%0.331CS..EExtended strand (participates in β ladder)trans-76-48.3-170.4-59179.2000112.7L668 I726 N728 E736 S763 R764L668-L738 HydrophobicContact CD1-CD1 4.22Å; L668-L738 HydrophobicContact CD2-CD1 3.45Å; L668-L738 VanDerWaalsContact CD2-CD1 3.45Å; L668-L738 HydrophobicContact CG-CD1 3.71Å; I726-L738 PolarHBondContact O-N 3.13Å; N728-L738 HydrophobicContact CB-CD1 4.01Å; N728-L738 HydrophobicContact CB-CG 4.36Å; E736-L738 HydrophobicContact CG-CD2 4.11Å; L738-S763 WeakPolarHBondContact O-CA 3.41Å; L738-R764 PolarHBondContact O-N 2.86Å
739A84.4Confident80.5Confident0 Ų060.5 Ų60.50%035%0.346CS..EExtended strand (participates in β ladder)trans-142.8165.2-178.200000111.7L666 D725 I726 L761 L762L666-A739 HydrophobicContact CD2-CB 3.69Å; D725-A739 CarbonylContact C-O 3.55Å; D725-A739 WeakPolarHBondContact CA-O 3.38Å; I726-A739 PolarHBondContact N-O 3.09Å; A739-L761 HydrophobicContact CB-CB 4.07Å; A739-L762 CarbonylContact C-O 3.6Å; A739-L762 WeakPolarHBondContact CA-O 3.48Å; A739-L762 WeakPolarHBondContact CB-O 3.24Å
740G88.9Confident79.8Confident13 Ų1362.1 Ų62.113%0.13436%0.358CS..EExtended strand (participates in β ladder)trans-167.1171.7174.500000115.3V724 L762V724-G740 CarbonylContact O-C 3.56Å; V724-G740 WeakPolarHBondContact O-CA 3.39Å; G740-L762 PolarHBondContact N-O 2.83Å; G740-L762 PolarHBondContact O-N 3.05Å
741A90.9Very high79.5Confident19 Ų1962.3 Ų62.316%0.15736%0.359CS..EExtended strand (participates in β ladder)trans-138.3158.5174.500000111.3R723 V724 L761R723-A741 WeakPolarHBondContact CA-O 3.38Å; V724-A741 PolarHBondContact N-O 3.4Å; V724-A741 PolarHBondContact O-N 3.03Å; A741-L761 HydrophobicContact CB-CD2 3.8Å
742Q90.3Very high79.3Confident145 Ų14560.2 Ų60.268%0.67835%0.352SS*.EExtended strand (participates in β ladder)trans-126.1119.6177.1-176.4171.6-34.100108.9T721T721-Q742 HydrophobicContact CG2-CG 3.31Å
743I90.4Very high79.3Confident9 Ų961.6 Ų61.65%0.04635%0.348CS..EExtended strand (participates in β ladder)trans-123.3116.4-166.1-55.9171.1000109L642 T721 L722 V724 Y759L642-I743 HydrophobicContact CD1-CD1 3.49Å; L642-I743 VanDerWaalsContact CD1-CD1 3.49Å; T721-I743 CarbonylContact C-O 3.59Å; T721-I743 WeakPolarHBondContact CA-O 3.5Å; T721-I743 WeakPolarHBondContact CG2-O 3.46Å; L722-I743 HydrophobicContact CB-CB 4.36Å; L722-I743 HydrophobicContact CD2-CD1 4.49Å; L722-I743 PolarHBondContact N-O 2.82Å; L722-I743 WeakPolarHBondContact O-CB 3.12Å; L722-I743 PolarHBondContact O-N 3.48Å; V724-I743 HydrophobicContact CG2-CD1 4.01Å; I743-Y759 HydrophobicContact CB-CE1 4.31Å; I743-Y759 HydrophobicContact CD1-CD1 3.59Å; I743-Y759 HydrophobicContact CD1-CD2 3.81Å; I743-Y759 HydrophobicContact CD1-CE1 3.78Å; I743-Y759 HydrophobicContact CD1-CE2 3.99Å; I743-Y759 HydrophobicContact CD1-CG 3.59Å; I743-Y759 HydrophobicContact CG1-CD1 3.69Å; I743-Y759 HydrophobicContact CG1-CE1 3.78Å; I743-Y759 HydrophobicContact CG1-CG 4.2Å; I743-Y759 HydrophobicContact CG2-CD1 4.41Å; I743-Y759 HydrophobicContact CG2-CE1 3.61Å
744S89.6Confident79.9Confident67 Ų6765.6 Ų65.647%0.46935%0.345SS..EExtended strand (participates in β ladder)trans-64.7139.3173.4-177.50000110.9A746S744-A746 WeakPolarHBondContact OG-CB 3.38Å; S744-A746 PolarHBondContact OG-N 3.06Å
745L86.8Confident80.2Confident1 Ų163.4 Ų63.41%0.00534%0.335CS..  trans-102.48.5174.2-53.8176.8000112.5F653 V680 L717 K720 L722 D747 V748F653-L745 HydrophobicContact CE1-CD1 3.81Å; F653-L745 HydrophobicContact CE1-CD2 4.4Å; F653-L745 HydrophobicContact CZ-CD1 4.04Å; F653-L745 HydrophobicContact CZ-CD2 3.87Å; V680-L745 HydrophobicContact CG1-CD1 3.84Å; V680-L745 HydrophobicContact CG2-CD1 4.46Å; L717-L745 HydrophobicContact CD1-CB 4.13Å; L717-L745 HydrophobicContact CD1-CD1 3.67Å; L717-L745 HydrophobicContact CG-CB 4.23Å; L717-L745 WeakPolarHBondContact O-CB 3.5Å; K720-L745 HydrophobicContact CB-CD1 4.2Å; K720-L745 WeakPolarHBondContact O-CB 3.31Å; K720-L745 PolarHBondContact O-N 2.79Å; K720-L745 VanDerWaalsContact O-N 3.08Å; L722-L745 HydrophobicContact CB-CD1 4.12Å; L722-L745 HydrophobicContact CB-CD2 3.9Å; L722-L745 HydrophobicContact CB-CG 4.19Å; L745-D747 PolarHBondContact O-N 3Å; L745-V748 HydrophobicContact CB-CG2 4.19Å; L745-V748 HydrophobicContact CD2-CG2 4.23Å; L745-V748 PolarHBondContact O-N 3.39Å
746A84.1Confident80.5Confident30 Ų3061.1 Ų61.125%0.24833%0.327CS..THydrogen-bonded Turntrans-55.8-35.3177.200000113.5R718 S744R718-A746 PolarHBondContact NH1-O 2.85Å; R718-A746 WeakPolarHBondContact O-CA 3.31Å; S744-A746 WeakPolarHBondContact OG-CB 3.38Å; S744-A746 PolarHBondContact OG-N 3.06Å
747D79.6Confident80.9Confident127 Ų12759.7 Ų59.768%0.67932%0.319SS*.THydrogen-bonded Turntrans-91.41.8-172.9-52.1-33.5000113.8L745 S749L745-D747 PolarHBondContact O-N 3Å; D747-S749 PolarHBondContact O-N 3.47Å; D747-S749 VanDerWaalsContact O-N 3.1Å
748V79.4Confident81.3Confident19 Ų1963.5 Ų63.512%0.11533%0.33CS..  trans-70.9109.1179.3-1790000109.1F653 H714 L717 L745F653-V748 HydrophobicContact CE2-CG1 4.14Å; F653-V748 HydrophobicContact CE2-CG2 4.28Å; H714-V748 PolarHBondContact CE1-O 2.9Å; H714-V748 PolarHBondContact NE2-O 2.94Å; L717-V748 HydrophobicContact CD2-CB 4.05Å; L717-V748 HydrophobicContact CD2-CG1 3.9Å; L745-V748 HydrophobicContact CB-CG2 4.19Å; L745-V748 HydrophobicContact CD2-CG2 4.23Å; L745-V748 PolarHBondContact O-N 3.39Å
749S73.1Confident81.7Confident52 Ų5264.4 Ų64.436%0.36433%0.332SS..  trans-67.6155177.544.60000112.8D747 S751D747-S749 PolarHBondContact O-N 3.47Å; D747-S749 VanDerWaalsContact O-N 3.1Å; S749-S751 PolarHBondContact O-N 3.33Å; S749-S751 PolarHBondContact OG-OG 3.23Å
750C65.6Low82Confident69 Ų6968.6 Ų68.647%0.46635%0.354SS..SBendtrans-71.511.4174.1-57.70000114.1H714H714-C750 PolarHBondContact CE1-SG 2.84Å; H714-C750 PolarHBondContact ND1-SG 3.4Å
751S66.7Low81.9Confident38 Ų3868.1 Ų68.127%0.26635%0.348SS..  trans-75.7138.9-176.750.60000111.4S749 E753S749-S751 PolarHBondContact O-N 3.33Å; S749-S751 PolarHBondContact OG-OG 3.23Å; S751-E753 PolarHBondContact O-N 3.13Å
752Q64Low81.5Confident120 Ų12072.7 Ų72.756%0.56137%0.369SS*.SBendtrans-70-11169.3-69.8-177.7-61.800112.8R645 E647R645-Q752 VanDerWaalsContact CD-O 3.32Å; R645-Q752 WeakPolarHBondContact CD-O 3.41Å; R645-Q752 WeakPolarHBondContact CG-O 3.39Å; E647-Q752 PolarHBondContact OE1-NE2 2.92Å
753E70.4Confident80.9Confident120 Ų12067.5 Ų67.556%0.56135%0.349SS*.SBendtrans-61.9137.4172.5-62.5-177.2174.400111.8S751S751-E753 PolarHBondContact O-N 3.13Å
754R78Confident79.4Confident143 Ų14371 Ų7154%0.5436%0.362SS..  trans-82.4114.2177.8170.9-179.351.473.5-0.2109.8F644 T756F644-R754 CarbonylContact O-C 3.59Å; F644-R754 WeakPolarHBondContact O-CA 3.47Å; R754-T756 PolarHBondContact NH1-OG1 3.18Å
755H79Confident77.6Confident98 Ų9874 Ų7445%0.45437%0.372SS..EExtended strand (participates in β ladder)trans-91.7108.7176.1-148.2-36.7000110.3G643 F644G643-H755 CarbonylContact C-O 3.52Å; G643-H755 WeakPolarHBondContact CA-O 3.29Å; F644-H755 WeakPolarHBondContact CD2-O 3.49Å; F644-H755 PolarHBondContact N-O 3.13Å; F644-H755 PolarHBondContact O-N 2.93Å
756T86.7Confident75.8Confident39 Ų3980.7 Ų80.724%0.23940%0.403CS..EExtended strand (participates in β ladder)trans-98138175.7-66.40000110.9Q641 L642 M658 R754Q641-T756 HydrophobicContact CG-CG2 3.62Å; L642-T756 CarbonylContact O-C 3.56Å; L642-T756 VanDerWaalsContact O-CA 3.31Å; L642-T756 WeakPolarHBondContact O-CA 3.29Å; M658-T756 HydrophobicContact SD-CG2 3.65Å; R754-T756 PolarHBondContact NH1-OG1 3.18Å
757K88Confident73.9Confident90 Ų9085.1 Ų85.139%0.39142%0.42SS..EExtended strand (participates in β ladder)trans-144.5154.9176.5-67.9-175.9179.8-179.70110.7L642 Y759L642-K757 PolarHBondContact N-O 3.23Å; L642-K757 PolarHBondContact O-N 2.81Å; K757-Y759 HydrophobicContact CB-CD2 4.48Å; K757-Y759 HydrophobicContact CB-CE2 3.64Å
758W89.9Confident72Confident104 Ų10482.1 Ų82.139%0.39441%0.409SS..EExtended strand (participates in β ladder)trans-94.5147.4169.3-74.6102.1000110.6Q639 V640 Q641 Q659 S661Q639-W758 HydrophobicContact CB-CE3 3.82Å; Q639-W758 HydrophobicContact CB-CZ3 4.15Å; V640-W758 CarbonylContact O-C 3.48Å; V640-W758 WeakPolarHBondContact O-CA 3.45Å; Q641-W758 HydrophobicContact CB-CD2 3.8Å; Q641-W758 HydrophobicContact CB-CE3 3.68Å; Q641-W758 HydrophobicContact CB-CH2 3.89Å; Q641-W758 HydrophobicContact CB-CZ2 3.98Å; Q641-W758 HydrophobicContact CB-CZ3 3.72Å; Q641-W758 HydrophobicContact CG-CD2 4.03Å; Q641-W758 HydrophobicContact CG-CE3 4.42Å; Q641-W758 HydrophobicContact CG-CG 4.46Å; Q641-W758 HydrophobicContact CG-CZ2 4.22Å; Q659-W758 HydrophobicContact CG-CH2 3.74Å; Q659-W758 HydrophobicContact CG-CZ2 4.35Å; Q659-W758 HydrophobicContact CG-CZ3 4.39Å; S661-W758 VanDerWaalsContact OG-CZ3 3.22Å; S661-W758 WeakPolarHBondContact OG-CZ3 3.26Å
759Y89.9Confident69.9Low50 Ų5087.9 Ų87.920%0.19643%0.434CS..EExtended strand (participates in β ladder)trans-137.3128.9179.4-64.2-86.5000111.2Q639 V640 L642 F644 I743 K757Q639-Y759 CarbonylContact C-O 3.53Å; Q639-Y759 VanDerWaalsContact CA-O 3.31Å; Q639-Y759 WeakPolarHBondContact CA-O 3.33Å; V640-Y759 PolarHBondContact N-O 3.46Å; V640-Y759 PolarHBondContact O-N 2.94Å; L642-Y759 HydrophobicContact CB-CD2 4.16Å; L642-Y759 HydrophobicContact CB-CE2 4.06Å; L642-Y759 HydrophobicContact CD1-CD2 3.83Å; L642-Y759 HydrophobicContact CD1-CE2 4.15Å; L642-Y759 HydrophobicContact CG-CD2 4.13Å; L642-Y759 HydrophobicContact CG-CE2 4.47Å; F644-Y759 AromaticContact CE2-CE2 3.78Å; F644-Y759 HydrophobicContact CE2-CE2 3.78Å; F644-Y759 AromaticContact CE2-CZ 3.95Å; F644-Y759 VanDerWaalsContact CE2-OH 3.29Å; F644-Y759 WeakPolarHBondContact CE2-OH 3.49Å; F644-Y759 AromaticContact CZ-CE2 3.84Å; F644-Y759 HydrophobicContact CZ-CE2 3.84Å; I743-Y759 HydrophobicContact CB-CE1 4.31Å; I743-Y759 HydrophobicContact CD1-CD1 3.59Å; I743-Y759 HydrophobicContact CD1-CD2 3.81Å; I743-Y759 HydrophobicContact CD1-CE1 3.78Å; I743-Y759 HydrophobicContact CD1-CE2 3.99Å; I743-Y759 HydrophobicContact CD1-CG 3.59Å; I743-Y759 HydrophobicContact CG1-CD1 3.69Å; I743-Y759 HydrophobicContact CG1-CE1 3.78Å; I743-Y759 HydrophobicContact CG1-CG 4.2Å; I743-Y759 HydrophobicContact CG2-CD1 4.41Å; I743-Y759 HydrophobicContact CG2-CE1 3.61Å; K757-Y759 HydrophobicContact CB-CD2 4.48Å; K757-Y759 HydrophobicContact CB-CE2 3.64Å
760N91Very high68.5Low87 Ų8791.4 Ų91.447%0.46545%0.448SS..EExtended strand (participates in β ladder)trans-74.9135.2176.1-63.3-6.7000110.3Q639Q639-N760 WeakPolarHBondContact CG-OD1 3.31Å; Q639-N760 PolarHBondContact NE2-OD1 3.45Å
761L86.2Confident67Low4 Ų494.1 Ų94.12%0.02146%0.458CS..  trans-104.8125.1179.1-61.1171.6000109.7S638 V640 L660 I726 A739 A741S638-L761 PolarHBondContact O-N 3.28Å; V640-L761 HydrophobicContact CB-CD1 4.17Å; V640-L761 HydrophobicContact CG1-CD1 4.25Å; V640-L761 HydrophobicContact CG1-CD2 3.89Å; V640-L761 HydrophobicContact CG1-CG 4.15Å; L660-L761 HydrophobicContact CD2-CD1 4.34Å; I726-L761 HydrophobicContact CD1-CD1 3.32Å; I726-L761 HydrophobicContact CG1-CD1 3.83Å; A739-L761 HydrophobicContact CB-CB 4.07Å; A741-L761 HydrophobicContact CB-CD2 3.8Å
762L84Confident65.5Low114 Ų11498.4 Ų98.460%0.59748%0.478SS*.EExtended strand (participates in β ladder)trans-97.1129.4-177.2-59179.6000110.6A739 G740A739-L762 CarbonylContact C-O 3.6Å; A739-L762 WeakPolarHBondContact CA-O 3.48Å; A739-L762 WeakPolarHBondContact CB-O 3.24Å; G740-L762 PolarHBondContact N-O 2.83Å; G740-L762 PolarHBondContact O-N 3.05Å
763S76.8Confident64.1Low37 Ų37101.5 Ų101.526%0.25949%0.49SS..EExtended strand (participates in β ladder)trans-68.4137.3178.7174.90000111.8L738 L765L738-S763 WeakPolarHBondContact O-CA 3.41Å; S763-L765 VanDerWaalsContact C-N 3.3Å; S763-L765 PolarHBondContact O-N 3.31Å
764R58.8Low62.5Low82 Ų82102.6 Ų102.631%0.30950%0.499SS..Hα-helixtrans-74.8-17.1-177.3-62.7-160.2-176.3-168.71.3114.2D725 C737 L738 M767 S768D725-R764 IonicContact OD1-CZ 3.58Å; D725-R764 IonicContact OD1-NH2 2.7Å; D725-R764 PolarHBondContact OD1-NH2 3.03Å; D725-R764 IonicContact OD2-NH2 2.65Å; D725-R764 PolarHBondContact OD2-NH2 3.3Å; D725-R764 VanDerWaalsContact OD2-NH2 3.13Å; C737-R764 VanDerWaalsContact CB-CZ 3.42Å; C737-R764 VanDerWaalsContact O-CD 3.22Å; C737-R764 WeakPolarHBondContact O-CD 3.46Å; L738-R764 PolarHBondContact O-N 2.86Å; R764-M767 PolarHBondContact O-N 3.38Å; R764-S768 PolarHBondContact O-N 3.33Å; R764-S768 PolarHBondContact O-OG 3.2Å
765L52.1Low60.4Low129 Ų129105 Ų10568%0.67551%0.513SS*.Hα-helixtrans-63.7-51.7178.4-68.4168.9000110.7S763 M767 S768S763-L765 VanDerWaalsContact C-N 3.3Å; S763-L765 PolarHBondContact O-N 3.31Å; L765-M767 PolarHBondContact O-N 3.16Å; L765-S768 WeakPolarHBondContact O-CB 3.46Å; L765-S768 PolarHBondContact O-N 3.12Å
766H49.4Very low58.2Low142 Ų142109 Ų10966%0.65753%0.532SS*.Hα-helixtrans-60.1-27.5175-73.5112000113.9S768H766-S768 VanDerWaalsContact C-N 3.34Å
767M43.9Very low55.5Low123 Ų123114.1 Ų114.161%0.60656%0.564SS**Hα-helixtrans-78.2-17.3175.6-68.5-65.8-64.500113.4R764 L765R764-M767 PolarHBondContact O-N 3.38Å; L765-M767 PolarHBondContact O-N 3.16Å
768S39.1Very low52.6Low64 Ų64121.6 Ų121.645%0.44859%0.59SS.*Hα-helixtrans-88.2-29.8-173.9-59.50000113.1R764 L765 H766 I770 N771R764-S768 PolarHBondContact O-N 3.33Å; R764-S768 PolarHBondContact O-OG 3.2Å; L765-S768 WeakPolarHBondContact O-CB 3.46Å; L765-S768 PolarHBondContact O-N 3.12Å; H766-S768 VanDerWaalsContact C-N 3.34Å; S768-I770 PolarHBondContact O-N 2.96Å; S768-N771 PolarHBondContact O-N 3.33Å; S768-N771 VanDerWaalsContact O-N 3.16Å
769E35.6Very low49.6Very low140 Ų140121.1 Ų121.165%0.65461%0.608SS**G310 helixtrans-64.3-28.9178.1-61.4-173135.600112.9N771E769-N771 VanDerWaalsContact C-N 3.25Å; E769-N771 PolarHBondContact O-N 3.31Å
770I43Very low46.7Very low127 Ų127125.6 Ų125.665%0.65163%0.63SS**G310 helixtrans-64.1-31.2176.6-60.1174.2000111.3S768S768-I770 PolarHBondContact O-N 2.96Å
771N35.5Very low43.8Very low126 Ų126127.2 Ų127.267%0.67465%0.646SS**G310 helixtrans-97.71.8-168.9-159.251.1000114.3S768 E769S768-N771 PolarHBondContact O-N 3.33Å; S768-N771 VanDerWaalsContact O-N 3.16Å; E769-N771 VanDerWaalsContact C-N 3.25Å; E769-N771 PolarHBondContact O-N 3.31Å
772N33.6Very low40.8Very low128 Ų128136.3 Ų136.368%0.68468%0.681SS**SBendtrans-108-3.5-176.1-85.5-23.2000114.7
773K34.7Very low39Very low185 Ų185136.2 Ų136.280%0.80469%0.687SS**G310 helixtrans-77.9-15.4178.4-77.5-174.4174.2177.60114.6K775K773-K775 PolarHBondContact O-N 3.47Å; K773-K775 VanDerWaalsContact O-N 3.12Å
774D37.3Very low36.4Very low142 Ų142140.6 Ų140.676%0.75972%0.718SS**G310 helixtrans-82.719.9-174-65.4-15.3000114.8
775K34.8Very low34.9Very low194 Ų194146.3 Ų146.384%0.84374%0.739SS**G310 helixtrans-136.623.9-170.8-79.1-167.1176.6177.70117.4K773K773-K775 PolarHBondContact O-N 3.47Å; K773-K775 VanDerWaalsContact O-N 3.12Å
776E31.4Very low33.6Very low182 Ų182147.4 Ų147.485%0.8574%0.743SS**  trans-141.761.5178.4-151.9162.8-125.800115.9
777T30.8Very low32.4Very low147 Ų147145 Ų14590%0.90274%0.742SS**  trans-150.371.1163.9-40.70000114.8
778R26.2Very low31.6Very low247 Ų247149.5 Ų149.593%0.93275%0.752SS**SBendtrans-156.1137.3149.8-156.5166.7-178.5163.90.7113.3
779A27.9Very low31Very low93 Ų93153 Ų15377%0.76977%0.765SS**  trans68.696.1169.200000118.2
780Q28.2Very low30.5Very low145 Ų145153.9 Ų153.968%0.67877%0.766SS**  trans-84.2153.9143.5-84.7-73.4-21.100109.3
781P31.2Very low29.8Very low121 Ų121151.3 Ų151.379%0.78676%0.764SS**  -137.8141.9111.835.2-23.2000115.6
782Y22.8Very low29.4Very low195 Ų195151.4 Ų151.477%0.76577%0.768SS**  trans-71.6178.2171.9-71.3-79.1000114
783P46.2Very low29.1Very low112 Ų112151.7 Ų151.773%0.72777%0.77SS**  cis-134.2177.5-29.530.4-11.3000114
784S22.6Very low28.6Very low128 Ų128147.7 Ų147.790%0.89576%0.757SS**  trans-144.5167.2147.6-164.60000111.8
785R27.4Very low28.1Very low203 Ų203146.1 Ų146.177%0.76676%0.757SS**  trans-120.1134-152.1-83.5168.760.7-169.7-0.7116.4
786M23.1Very low27.8Very low151 Ų151143 Ų14374%0.74476%0.755SS**  trans68.9157.7135.2-63.4170.968.100121.7
787S24.9Very low27.4Very low91 Ų91137.4 Ų137.464%0.63675%0.746SS**  trans100.3123.1156.6-167.90000115.7
788R26.9Very low27.2Very low218 Ų218138.7 Ų138.782%0.82375%0.746SS**  cis-150.1146.5-8.1-97162.9-140.5-146.31.5106.3
789I27.9Very low27.1Very low139 Ų139129.9 Ų129.971%0.71373%0.732SS**  cis81.9119.947.8-64.1169.4000114.5
790K24.9Very low26.9Very low157 Ų157136.7 Ų136.768%0.68374%0.738SS**  trans64.6158.4164.5-86.5-160.6172.4-157.40117.5D794K790-D794 VanDerWaalsContact NZ-CG 3.25Å; K790-D794 IonicContact NZ-OD1 3.13Å; K790-D794 PolarHBondContact NZ-OD1 2.64Å; K790-D794 IonicContact NZ-OD2 3.8Å; K790-D794 PolarHBondContact NZ-OD2 3.01Å
791A26.6Very low26.7Very low73 Ų73136.3 Ų136.360%0.60374%0.741SS**  cis-130.2175-1.400000109.5
792V27Very low26.4Very low128 Ų128139 Ų13978%0.77674%0.74SS**SBend-167.5142.451.8159.20000106.2
793L28Very low26.5Very low135 Ų135136.5 Ų136.571%0.70774%0.74SS**  cis-147.1140.7-2-142.142.1000105.4
794D23.9Very low25.4Very low100 Ų100138.3 Ų138.354%0.53575%0.749SS.*  40.7134.181.3-55.6-43.7000113.3K790K790-D794 VanDerWaalsContact NZ-CG 3.25Å; K790-D794 IonicContact NZ-OD1 3.13Å; K790-D794 PolarHBondContact NZ-OD1 2.64Å; K790-D794 IonicContact NZ-OD2 3.8Å; K790-D794 PolarHBondContact NZ-OD2 3.01Å
795S27.2Very low25.6Very low110 Ų110137.6 Ų137.677%0.76974%0.744SS**  cis-142.9176.215.4-53.20000110.2
796T28.2Very low25.4Very low129 Ų129136 Ų13679%0.79175%0.747SS**  cis-154.8136.721.4-37.20000106.9
797G23Very low25.4Very low64 Ų64134 Ų13466%0.6674%0.739SS**  67.5123.274.500000111.4
798L28.1Very low25.5Very low173 Ų173137.6 Ų137.691%0.90675%0.746SS**  cis-144179.218.6-51.696.6000109.7
799G22.3Very low25.3Very low63 Ų63135.9 Ų135.965%0.64975%0.747SS**  cis155.7142.7-12.100000114.3
800W24.7Very low25.1Very low236 Ų236133.6 Ų133.689%0.89475%0.749SS**  trans102.7120.8156.3-62.523.3000121.7
801N24.1Very low25Very low137 Ų137133.1 Ų133.173%0.73375%0.754SS**  trans54.797.2136.8-61.3-10.5000125
802K24.2Very low24.9Very low177 Ų177137 Ų13777%0.7776%0.762SS**  53.7112.594.8-162-179.2-173.9-177.50121.1
803N24.7Very low24.8Very low142 Ų142135.6 Ų135.676%0.75976%0.757SS**  trans54.4114.8145.9-57.828.8000121.4
804V24.6Very low24.8Very low150 Ų150135.3 Ų135.391%0.90976%0.757SS**  trans-140.8160.8136.5-160.80000108.4
805S25.2Very low25Very low114 Ų114137.8 Ų137.880%0.79777%0.765SS**  trans-98.7-170.9170.2-56.90000111.1
806M24.3Very low25.1Very low168 Ų168140.9 Ų140.983%0.82877%0.767SS**  trans100.4119.4151.1-151.3164.4176.900118
807D23.4Very low25.4Very low109 Ų109139.2 Ų139.258%0.58377%0.767SS**  trans48.1125.6144.8-64-45.5000124.9
808H25.9Very low25.6Very low167 Ų167145.6 Ų145.677%0.77378%0.779SS**  56.6132.9126.4-68.388.5000123.4
809Q23Very low25.7Very low182 Ų182146 Ų14685%0.8578%0.776SS**  trans105.2131.8131.7-162.9163.712.400120.3
810A24.3Very low26Very low91 Ų91150.1 Ų150.175%0.75278%0.783SS**  trans66.9156154.700000119.9
811D22.5Very low26.1Very low148 Ų148146.4 Ų146.479%0.79178%0.781SS**  cis-170.8-158-29.9-161.3-8.1000106.8
812M24.3Very low26.6Very low155 Ų155149 Ų14976%0.76479%0.789SS**  trans85.3129171.5-49.9-59.7-68.700113.4
813S26.2Very low26.8Very low97 Ų97148.5 Ų148.568%0.67879%0.789SS**  cis154.5151.40.347.80000104.6
814N26.8Very low26.8Very low130 Ų130144.4 Ų144.470%0.69578%0.781SS**  cis-171.5-166-9.8-178.431.6000106.3
815E29.2Very low26.9Very low151 Ų151143.6 Ų143.671%0.70678%0.776SS**  trans75.9131.7154.9-81133.9-119.200116.8
816E28Very low26.9Very low175 Ų175146.5 Ų146.582%0.81878%0.777SS**  cis-136.9136.83.7-59.8-172.5131.300109
817A34Very low26.9Very low95 Ų95145.2 Ų145.279%0.78578%0.779SS**  77.5149.480.700000114.4
818E27.1Very low27Very low198 Ų198148 Ų14893%0.92579%0.789SS**  cis-139.2169.812-71.2-175.7147.700113.3
819E30.2Very low27Very low181 Ų181146.6 Ų146.685%0.84679%0.786SS**  trans-153.7130.1169.8174.5178.1-119.400110.5
820N30.4Very low27.4Very low149 Ų149146 Ų14680%0.79778%0.784SS**  trans171.4150.9146.6-103-17.4000115.4
821D25.8Very low27.5Very low158 Ų158150.1 Ų150.185%0.84579%0.787SS**  177.8163.2116.4-93.9-7.5000112.9
822E34.5Very low27.6Very low191 Ų191151.1 Ų151.189%0.89379%0.787SS**  trans-71.1169.5-166.2-54.6-175.4110.100115.5
823E27.9Very low27.6Very low167 Ų167151.6 Ų151.678%0.7879%0.788SS**  cis-149.3-176.722.4-130.4-153.9110.800109.8
824G25.4Very low27.3Very low57 Ų57154.2 Ų154.259%0.58879%0.787SS**  cis162.7165.61.500000114
825V26.1Very low27.2Very low133 Ų133157.1 Ų157.181%0.80679%0.79SS**  trans72.7153.1160.8-174.30000120.4
826E25.1Very low27.3Very low174 Ų174155.7 Ų155.781%0.81379%0.793SS**  trans-110.1165.6-162.7-51.9154132.600114.5
827T24.6Very low26.9Very low141 Ų141154 Ų15487%0.86579%0.79SS**  trans-169.6157.3130.76.60000113.3
828E25.4Very low26.4Very low169 Ų169155.7 Ų155.779%0.7979%0.786SS**  trans-86.6179.3-179.8-58.6138.1135.400111.2
829D26.5Very low26.2Very low136 Ų136150.9 Ų150.973%0.72777%0.774SS**  cis-151.4169.127-81.8-61.4000112.9
830E30.6Very low25.7Very low171 Ų171149 Ų14980%0.79977%0.765SS**  trans16.7155.9144.2-51.9-174.8144.600121.4
831E26.4Very low25.5Very low176 Ų176152 Ų15282%0.82277%0.765SS**  cis-163.4-172.135.1-149.6175.8-146.300113.7
832E25.8Very low25.4Very low170 Ų170150.6 Ų150.679%0.79476%0.763SS**  trans-62.1-175.8-179.8-77179.7171.700117.9
833E23.4Very low24.9Very low164 Ų164144.9 Ų144.977%0.76675%0.754SS**  cis-163.9150.1-29.9170.9172.3-124.900110
834F21Very low24.8Very low152 Ų152146.1 Ų146.167%0.66776%0.76SS**  trans26135.6152.5-145.4-151.5000125.5
835Y24.6Very low24.8Very low192 Ų192150.9 Ų150.975%0.75377%0.765SS**  trans69.5144.6157.1-79-35.6000123.1
836P30.4Very low24.8Very low120 Ų120154 Ų15478%0.77977%0.77SS**  trans-106162.9172.240.6-33.3000114.3
837D20.4Very low24.8Very low140 Ų140152.4 Ų152.475%0.74976%0.763SS**  trans-143.5143.8165.9-168.636.2000115.2
838N22.2Very low24.7Very low131 Ų131151.4 Ų151.470%0.70175%0.753SS**  trans61.5158.5154.2-95.7-52.2000126.6
839S22.7Very low24.9Very low96 Ų96151.2 Ų151.267%0.67175%0.752SS**  trans71.2120.3168-62.10000118.4
840Q21.6Very low24.9Very low141 Ų141153.4 Ų153.466%0.65976%0.757SS**  cis74.2127.143.4-154.1-166.229.900111.2
841W24.2Very low24.7Very low212 Ų212151.3 Ų151.380%0.80375%0.748SS**  cis-131.9-175.231.2-68.873.1000111.7
842V25.6Very low24.8Very low130 Ų130148.8 Ų148.879%0.78874%0.736SS**  cis-153.5140.835.1172.40000108.2
843G23.6Very low24.7Very low70 Ų70148.5 Ų148.572%0.72273%0.732SS**  65.4130.792.800000113.3
844E25.6Very low24.7Very low193 Ų193147.1 Ų147.190%0.90273%0.734SS**  cis-128.514927.5-60.2160151.900110
845K25.7Very low24.9Very low157 Ų157144.5 Ų144.568%0.68374%0.741SS**  cis86.694.441.6-144.2-172-162.7-60.40115.2E847K845-E847 IonicContact NZ-OE1 3.71Å; K845-E847 PolarHBondContact NZ-OE1 3.02Å; K845-E847 IonicContact NZ-OE2 3.93Å; K845-E847 PolarHBondContact NZ-OE2 3Å
846E26.1Very low24.9Very low198 Ų198145 Ų14593%0.92575%0.747SS**  trans-148.9153.4136.2-127.2177.1-156.200109.5
847E25.1Very low24.7Very low141 Ų141145.2 Ų145.266%0.65975%0.751SS**  trans-108.9161.5-166.7-78.8143.717800110.3K845K845-E847 IonicContact NZ-OE1 3.71Å; K845-E847 PolarHBondContact NZ-OE1 3.02Å; K845-E847 IonicContact NZ-OE2 3.93Å; K845-E847 PolarHBondContact NZ-OE2 3Å
848N23Very low24.7Very low121 Ų121144.8 Ų144.865%0.64775%0.754SS**  -172.315163.7-150.433000114.2
849E28.1Very low25.5Very low164 Ų164143.2 Ų143.277%0.76675%0.751SS**  trans30.9134.8144.3-65.7166.416600120.4
850E26.7Very low25.6Very low182 Ų182145 Ų14585%0.8576%0.758SS**  cis-144.8178.930.6-82.2-171.8119.900110.5
851E27.7Very low25.9Very low128 Ų128142.3 Ų142.360%0.59876%0.76SS**  cis-158.2-159.81.3-128.2-61.688.600112
852Q27.2Very low26.8Very low122 Ų122137.8 Ų137.857%0.5776%0.758SS**  trans-92.2174.1-173.9-69.1157.955.800115.4
853K24.5Very low26.9Very low164 Ų164139.9 Ų139.971%0.71376%0.763SS**  cis-157.4141.40.2-127.8156.7-168.4161.30113.7
854V24Very low27.2Very low135 Ų135142.8 Ų142.882%0.81877%0.767SS**  trans8.9132.7131.1-168.80000116.8
855A25.1Very low27.4Very low97 Ų97143 Ų14380%0.80277%0.768SS**  -161.7163.26900000117.7
856K23.8Very low27.8Very low203 Ų203144.9 Ų144.988%0.88378%0.776SS**  trans-97.7154.9171.5-67.2178.2175.6178.20112
857S25.1Very low28Very low124 Ų124141.2 Ų141.287%0.86777%0.767SS**  trans-167.5112.513655.90000114.1
858T21.9Very low28.1Very low132 Ų132140.8 Ų140.881%0.8177%0.769SS**  trans-86.8-172155.49.80000109.5
859P38.9Very low28.7Very low97 Ų97144 Ų14463%0.6378%0.777SS**  cis-136.1-171.5-6.129.4-5.2000115.4
860T24.6Very low28.9Very low133 Ų133143.4 Ų143.482%0.81677%0.774SS**  trans65150.814546.40000121.5
861A28.6Very low29Very low86 Ų86140.7 Ų140.771%0.71177%0.77SS**  cis-161.6-138.7-26.100000109.9
862P41.6Very low29Very low117 Ų117139 Ų13976%0.7677%0.773SS**  -124.3152.5-126.337.3-17.7000116.6
863I28.9Very low29.1Very low174 Ų174140.1 Ų140.189%0.89278%0.781SS**  trans-137.3136.9159.5-62.6-176.1000109.8
864T29.7Very low29.3Very low130 Ų130138.4 Ų138.480%0.79878%0.78SS**  trans-106.5141.8174.8530000111.2
865E30.2Very low29.5Very low197 Ų197138.3 Ų138.392%0.92178%0.775SS**  trans-154.3167.4146.8-127.7169.6-173.100112.5
866K32.9Very low29.5Very low197 Ų197141.4 Ų141.486%0.85778%0.777SS**  trans-129.8-175.3-170.7-68.6-178.5178.1177.50110.8
867V29.5Very low29.5Very low121 Ų121136.5 Ų136.573%0.73377%0.768SS**  trans105.590154.5-169.80000117.5
868N28.1Very low29.5Very low132 Ų132135.2 Ų135.271%0.70677%0.765SS**  53.4120.7123.7-49.92.3000122.5
869K35.9Very low29.7Very low189 Ų189133.1 Ų133.182%0.82276%0.755SS**  -156.4126.4125.4-112.7160.9178.9174.60107
870E31.4Very low29Very low151 Ų151136 Ų13671%0.70676%0.76SS**  54.612366.8-64.9176-135.300111.5
871T30.4Very low29.1Very low125 Ų125135.1 Ų135.177%0.76775%0.746SS**  cis-164.8158.113.60.10000112.7
872S27.2Very low28.9Very low94 Ų94141.4 Ų141.466%0.65775%0.752SS**  trans65110.9132.9-165.60000122.9
873I29.2Very low28.2Very low144 Ų144140.4 Ų140.474%0.73875%0.748SS**  77118.6127.4-65.8178000121.3
874D29.2Very low28.2Very low128 Ų128138 Ų13868%0.68474%0.74SS**  trans57.5117.4140.3-62.61.7000125.4
875N27.5Very low28.1Very low133 Ų133138.1 Ų138.171%0.71174%0.741SS**  45.9122.4120-53.4-52.6000120.6
876L25.4Very low27.9Very low162 Ų162139.5 Ų139.585%0.84874%0.738SS**  -176.7146102.8-96.1162000115
877S23.6Very low28.7Very low100 Ų100135.7 Ų135.770%0.69973%0.733SS**  trans31.8100.5146.7-58.80000122.8
878A25.4Very low28.6Very low98 Ų98138.6 Ų138.681%0.8174%0.736SS**  46.8141104.100000123.6
879C25.1Very low28.8Very low87 Ų87139.3 Ų139.359%0.58874%0.735SS**  trans83.2117.2142.6-1610000120.6
880H25.3Very low28.4Very low159 Ų159141.9 Ų141.974%0.73674%0.74SS**  169.8123112.4-84.6-68.3000107.6
881Q25.8Very low28.5Very low113 Ų113145.9 Ų145.953%0.52875%0.748SS.*  85.3128.858.1-82.1-173.9-28.700115.5
882W24.7Very low29.1Very low219 Ų219145 Ų14583%0.8374%0.744SS**  trans71149.3151.8-75.7-41.3000118.8
883S27Very low29.2Very low96 Ų96145.8 Ų145.867%0.67174%0.741SS**  cis-168.5-170.3-3.947.60000113.3
884V28.4Very low29.3Very low122 Ų122147.1 Ų147.174%0.73974%0.742SS**  trans93.1101.5150.9170.90000120.6
885V27.3Very low29.3Very low134 Ų134148 Ų14881%0.81274%0.742SS**  75.3123.7129.1-179.70000123.7
886R27.6Very low29.6Very low226 Ų226147.9 Ų147.985%0.85374%0.737SS**  trans-50.1-176161.4-69.5176.5-178.4167.30.1117
887P49.7Very low29.8Very low116 Ų116147.8 Ų147.875%0.75373%0.732SS**  cis-139.3-175.4-36.735-15.9000114.7
888K26.2Very low30.2Very low182 Ų182150.7 Ų150.779%0.79174%0.738SS**  129.6152.8128.6-158.5167.5-178.8-178.50117.1
889E32.8Very low31.5Very low148 Ų148150.4 Ų150.469%0.69273%0.728SS**  trans-54.1145-167.8-53.4147.5107.400118.3
890R27.6Very low31.6Very low243 Ų243154.6 Ų154.692%0.91774%0.736SS**  -162.6157.4120.2-110.8175.4-17890.1-5.7114.4
891R32.2Very low31.9Very low235 Ų235153.9 Ų153.989%0.88774%0.735SS**  trans-126.6-176.1165.9-104.6-171.2-175-176.32106
892P44.7Very low32.2Very low106 Ų106159.4 Ų159.469%0.68875%0.751SS**  cis-130.4-141.114.332.9-5.7000110.6
893D29.5Very low32.5Very low111 Ų111152.1 Ų152.159%0.59474%0.744SS**  cis-163.3172.30.1-139.7-30.1000113.8
894F30.6Very low32.7Very low171 Ų171155 Ų15575%0.7575%0.752SS**  trans61.3146.5161.3-65.5-57.9000120.3
895H29.6Very low32.8Very low146 Ų146154.8 Ų154.868%0.67675%0.751SS**  cis-146.4-169.122.9-149.332.5000110.5
896Q33.5Very low33.1Very low131 Ų131155.7 Ų155.761%0.61275%0.75SS**  cis-160.1153.99.5-175.2160.256.600112.5
897Q30.3Very low33.5Very low161 Ų161150.7 Ų150.775%0.75274%0.739SS**  trans67163.6157.3-81167.721.700123
898I30.6Very low32.7Very low161 Ų161156.2 Ų156.283%0.82675%0.745SS**  trans-164.4-162.9-151.34.2170.7000108.7
899P53.2Low33.1Very low91 Ų91152.2 Ų152.259%0.59174%0.739SS**  cis-138.2-164.4-6.226.21.1000116.7
900F26.6Very low33.2Very low175 Ų175154 Ų15477%0.76875%0.745SS**  trans117.1101.6154-67.4-71.8000116.3
901M31.8Very low33.6Very low145 Ų145147.8 Ų147.871%0.71473%0.734SS**  78.2138.285-78.4-141.9161.300114.4
902R33.3Very low33.4Very low228 Ų228146 Ų14686%0.8673%0.733SS**  cis-153.2-179.42.9-91.8166.3-164.7-173.44.9107.8
903G30.4Very low33.3Very low66 Ų66146.4 Ų146.468%0.6874%0.738SS**  cis158.7156.5-6.900000113.9
904N30.3Very low34.1Very low156 Ų156147.1 Ų147.183%0.83475%0.749SS**  trans64.9111.8159.2-66.620.5000124.5
905T32Very low34Very low118 Ų118142.4 Ų142.472%0.72475%0.749SS**  29.9156.8124.458.80000125.3
906I33.5Very low35.4Very low154 Ų154141 Ų14179%0.7975%0.753SS**  trans120.6150.8158.3-68.3160.7000112.4
907I34.8Very low35.3Very low120 Ų120143.7 Ų143.762%0.61577%0.765SS**  cis172141.7-47.3-97.2168.4000107.6
908R32.6Very low35.3Very low233 Ų233140.3 Ų140.388%0.87976%0.759SS**  trans67.4159.3168.7-76.2162-166.6154.52.5117
909S35.4Very low35.5Very low97 Ų97140.5 Ų140.568%0.67876%0.757SS**  cis-169.2161.4-15.949.90000114.1
910K34.4Very low34.7Very low187 Ų187145.8 Ų145.881%0.81377%0.766SS**  trans68.4108146.1-85.1-171.3175.7-1720121.4
911T35.3Very low34.9Very low111 Ų111144.4 Ų144.468%0.68177%0.766SS**  39.6124.2120.359.80000121
912F28.3Very low35.1Very low199 Ų199142.7 Ų142.787%0.87377%0.767SS**  -169.1149.9112-109.3-73000111.8
913S43.2Very low35.2Very low113 Ų113143.5 Ų143.579%0.7977%0.77SS**  trans-134.1138.1161.5-55.50000107.5
914P45.6Very low35.3Very low127 Ų127147.9 Ų147.983%0.82578%0.776SS**  -153.6166.9120.638.6-22.6000115.8
915G28.8Very low35.4Very low72 Ų72146.6 Ų146.674%0.74277%0.769SS**  trans110.3122.8139.200000118.6
916P58.9Low35.6Very low117 Ų117151.8 Ų151.876%0.7678%0.775SS**  trans-107.1-164.8164.540.4-30.9000112
917Q31.3Very low35.7Very low186 Ų186148.7 Ų148.787%0.86977%0.768SS**  trans84.8142-178.9-57.9176.4-24.700114.5
918S31.9Very low35.4Very low91 Ų91150.1 Ų150.164%0.63678%0.776SS**  cis-161.8168.8-1150.90000111.6
919Q33.4Very low35.4Very low164 Ų164144 Ų14477%0.76677%0.77SS**  trans35.1144.3133.8-64.6168.7-19.800120.3
920Y36.4Very low35.3Very low202 Ų202146.4 Ų146.479%0.79278%0.775SS**  cis-169-176.214.2-141.3-147.6000113.9
921I31.4Very low35.2Very low147 Ų147142.5 Ų142.575%0.75477%0.771SS**  trans81.9127.9158.2-67.7151.8000118.5
922C34.8Very low35.2Very low109 Ų109141.9 Ų141.974%0.73677%0.771SS**  trans-110.9156.7-177.2-34.20000112
923R36.5Very low35.7Very low244 Ų244138.3 Ų138.392%0.92177%0.766SS**  trans156.3143.2141.7-83.6149.6-177154.9-1.9107.2
924I32Very low35.5Very low158 Ų158140.5 Ų140.581%0.8177%0.768SS**  cis-144.2-165.735.6-156.8154.7000112.4
925N33.8Very low34.9Very low130 Ų130140.2 Ų140.270%0.69577%0.769SS**  trans-80.8154.1-171.7-69.8-60.7000114.9
926R34.8Very low35.7Very low226 Ų226145.7 Ų145.785%0.85377%0.772SS**  26148.5129.8-45.2176.8172171.2-4.9119.2
927S35.2Very low34.8Very low90 Ų90150.3 Ų150.363%0.62978%0.78SS**  cis-156169.225.6-38.70000114.3
928D28.8Very low35.2Very low149 Ų149146.6 Ų146.680%0.79778%0.775SS**  trans73.3143.1141.9-54.3-28.8000124.3
929S34.1Very low35.9Very low106 Ų106148.1 Ų148.174%0.74178%0.783SS**  trans92.9122153.5-60.50000122.4
930D32.8Very low36Very low146 Ų146150.4 Ų150.478%0.78179%0.79SS**  trans77.2113.6140.6-67-6.4000124.3
931S32.8Very low36.4Very low106 Ų106147.1 Ų147.174%0.74179%0.791SS**  82.2110.5120.8-68.40000122.5
932S34.4Very low36.7Very low97 Ų97151.1 Ų151.168%0.67880%0.797SS**  88.1110.6117.9-157.10000121.5
933T38.9Very low37.2Very low124 Ų124153.8 Ų153.876%0.76180%0.804SS**  trans79.9146.8141.359.40000123.3
934L38.5Very low37.8Very low160 Ų160146.4 Ų146.484%0.83879%0.794SS**  trans68.9115.4156.2-72.7167.2000120.6
935S34.3Very low38.3Very low120 Ų120144.7 Ų144.784%0.83980%0.796SS**  -154.9163.2115.5630000111.7
936K44Very low38.8Very low187 Ų187145.4 Ų145.481%0.81380%0.796SS**  trans-136.7132.1171.9-75.1-178.4178.7175.30109.6
937K40.4Very low39.4Very low215 Ų215146.6 Ų146.694%0.93580%0.8SS**  trans150.4136.9136.3-82.2156.4-175.5175.80111
938S39.4Very low40Very low107 Ų107151.9 Ų151.975%0.74881%0.806SS**  trans-118.3158.8165.350.90000109.6
939P46.7Very low40.7Very low124 Ų124150.2 Ų150.281%0.80581%0.806SS**  trans-81.3157.5-170.431.8-35.6000114.2
940F36Very low40.9Very low211 Ų211153 Ų15393%0.92581%0.81SS**  trans-81.4146.6179.5-86-103.2000113.4
941V44.6Very low41.3Very low133 Ų133156.9 Ų156.981%0.80681%0.813SS**  trans-109.8144.2163.7-179.60000108.9
942R38.6Very low41.4Very low232 Ų232158.9 Ų158.988%0.87581%0.813SS**SBendtrans-92.2150.6178.4-74.4178.5167.6140.1-4.3111.5
943N43.9Very low41.6Very low165 Ų165163.4 Ų163.488%0.88282%0.82SS**  trans69.236.5173.2-59.3-1000117.6
944A49Very low41.4Very low88 Ų88168.4 Ų168.473%0.72783%0.825SS**  trans-71.9141.4155.200000110.5
945S43Very low41.6Very low122 Ų122165.9 Ų165.985%0.85382%0.818SS**SBendtrans-83.2-14.5-176.1500000114.7R947S945-R947 PolarHBondContact O-N 2.87Å
946E43.8Very low41.6Very low146 Ų146166 Ų16668%0.68282%0.816SS**  trans-77.781.2-178.8-167.9172.2-159.600112.5R948E946-R948 HydrophobicContact CG-CB 4.38Å; E946-R948 HydrophobicContact CG-CG 4.03Å; E946-R948 PolarHBondContact O-N 3.11Å; E946-R948 VanDerWaalsContact OE1-CD 3.25Å; E946-R948 WeakPolarHBondContact OE1-CD 3.13Å; E946-R948 IonicContact OE1-NE 2.82Å; E946-R948 PolarHBondContact OE1-NE 3.43Å
947R49Very low41Very low250 Ų250163.2 Ų163.294%0.94381%0.814SS**  trans-76.468.9166.4-76.3-169.7169.2-150.9-0.5111.8S945S945-R947 PolarHBondContact O-N 2.87Å
948R46.7Very low40.8Very low202 Ų202162.2 Ų162.276%0.76281%0.813SS**  trans-91.7128.2160.1-75.3-171.2179.1-96.6-2.8110.1E946 M950E946-R948 HydrophobicContact CG-CB 4.38Å; E946-R948 HydrophobicContact CG-CG 4.03Å; E946-R948 PolarHBondContact O-N 3.11Å; E946-R948 VanDerWaalsContact OE1-CD 3.25Å; E946-R948 WeakPolarHBondContact OE1-CD 3.13Å; E946-R948 IonicContact OE1-NE 2.82Å; E946-R948 PolarHBondContact OE1-NE 3.43Å; R948-M950 PolarHBondContact O-N 3.1Å
949S42.9Very low40.1Very low113 Ų113162.9 Ų162.979%0.7981%0.812SS**  trans-72.5111.5-177.747.60000111.2R951S949-R951 PolarHBondContact O-N 2.88Å
950M39.5Very low39.8Very low166 Ų166167.3 Ų167.382%0.81882%0.819SS**  trans-72.444.4174.5-87.3-71.9-77.300113.5R948 M952R948-M950 PolarHBondContact O-N 3.1Å; M950-M952 VanDerWaalsContact C-N 3.28Å; M950-M952 HydrophobicContact CE-CG 4.5Å; M950-M952 PolarHBondContact O-N 3.33Å
951R40.1Very low39.6Very low227 Ų227159.8 Ų159.886%0.85780%0.801SS**  trans-83.580.8159.3-167.7175.8-168.1172.65.3108S949 K953S949-R951 PolarHBondContact O-N 2.88Å; R951-K953 PolarHBondContact O-N 3.22Å
952M34.7Very low39.2Very low147 Ų147158.9 Ų158.972%0.72479%0.791SS**  trans-49.899.5165.7-89.3-81.1-171.100109.5M950 R954M950-M952 VanDerWaalsContact C-N 3.28Å; M950-M952 HydrophobicContact CE-CG 4.5Å; M950-M952 PolarHBondContact O-N 3.33Å; M952-R954 PolarHBondContact O-N 3.5Å
953K39.6Very low38.9Very low193 Ų193154.8 Ų154.884%0.83979%0.787SS**PPolyproline II helixtrans-65.4119.3152.8-80-166.2174.5-174.80105.2R951R951-K953 PolarHBondContact O-N 3.22Å
954R35.6Very low38.8Very low228 Ų228149.6 Ų149.686%0.8677%0.772SS**PPolyproline II helixtrans-50.3138.1169.8-71.2176.8172.1167.8-4.5108M952M952-R954 PolarHBondContact O-N 3.5Å
955P41.3Very low38.3Very low107 Ų107147.7 Ų147.770%0.69575%0.749SS**PPolyproline II helixtrans-56.6141.5161.127.6-33.3000107.8V957P955-V957 PolarHBondContact O-N 2.64Å
956P35.7Very low38.3Very low123 Ų123144.5 Ų144.580%0.79972%0.722SS**PPolyproline II helixtrans-58.9142170.826.5-33.1000109
957V30.2Very low39.1Very low128 Ų128138.4 Ų138.478%0.77669%0.693SS**PPolyproline II helixtrans-58.5139.3175.6175.40000108.7P955 V959P955-V957 PolarHBondContact O-N 2.64Å; V957-V959 VanDerWaalsContact C-N 3.32Å; V957-V959 PolarHBondContact O-N 2.91Å
958Q36.5Very low40Very low194 Ų194127 Ų12791%0.90765%0.651SS**  trans-66.591.8171.9-74.1-173.9-6.900110K960Q958-K960 PolarHBondContact O-N 2.99Å
959V25.1Very low41.2Very low121 Ų121118.3 Ų118.373%0.73362%0.621SS**  trans-74.9116.6165.6-179.10000107.5V957 G961V957-V959 VanDerWaalsContact C-N 3.32Å; V957-V959 PolarHBondContact O-N 2.91Å; V959-G961 PolarHBondContact O-N 3.16Å; V959-G961 VanDerWaalsContact O-N 3.09Å
960K39.5Very low43Very low217 Ų217113.1 Ų113.194%0.94359%0.585SS**  trans-70.395.3159.2-78.9-177175.81790107.4Q958Q958-K960 PolarHBondContact O-N 2.99Å
961G33Very low45Very low53 Ų53105.4 Ų105.455%0.54655%0.547SS..  trans-171.6119.9179.500000113.8V959V959-G961 PolarHBondContact O-N 3.16Å; V959-G961 VanDerWaalsContact O-N 3.09Å
962L36Very low46.9Very low114 Ų11495.1 Ų95.160%0.59751%0.509SS*.  trans61.664.3157.9-53.6176.4000116.5G964 L965L962-G964 PolarHBondContact O-N 3.3Å; L962-L965 HydrophobicContact CD1-CD1 4.5Å; L962-L965 HydrophobicContact CD2-CD1 4.02Å
963D32.2Very low49.3Very low147 Ų14788.6 Ų88.679%0.78648%0.477SS*.SBendtrans-65121.3151.1-77.4-42.3000109.4
964G41.5Very low51.6Low55 Ų5579.4 Ų79.457%0.56744%0.437SS*.  trans77.782.6161.700000117.1L962L962-G964 PolarHBondContact O-N 3.3Å
965L38.6Very low54Low48 Ų4869.6 Ų69.625%0.25140%0.401SS..  trans-133.748.7169.4-79.4179.6000113.6L179 L962 R967L179-L965 HydrophobicContact CD1-CD1 4.31Å; L179-L965 HydrophobicContact CD2-CD1 4.17Å; L179-L965 HydrophobicContact CD2-CD2 3.58Å; L179-L965 HydrophobicContact CD2-CG 4.45Å; L962-L965 HydrophobicContact CD1-CD1 4.5Å; L962-L965 HydrophobicContact CD2-CD1 4.02Å; L965-R967 PolarHBondContact O-N 2.88Å
966L42.7Very low56.2Low56 Ų5664.7 Ų64.729%0.29337%0.369SS..  trans-50.8113.4151.6-54.6166.1000109T7 A9 D10T7-L966 HydrophobicContact CG2-CD2 4.01Å; T7-L966 WeakPolarHBondContact OG1-CD2 3.29Å; A9-L966 HydrophobicContact CB-CB 3.69Å; A9-L966 HydrophobicContact CB-CD2 4Å; A9-L966 HydrophobicContact CB-CG 4.42Å; D10-L966 PolarHBondContact OD1-N 3.01Å
967R61Low58.8Low18 Ų1860 Ų607%0.06834%0.336CS..  trans-160.3126.1154-65.896.5-158.3-87.5-9115.5A9 L965 D971 L972 D975A9-R967 CarbonylContact O-C 3.6Å; A9-R967 VanDerWaalsContact O-CA 3.24Å; A9-R967 WeakPolarHBondContact O-CA 3.44Å; A9-R967 PolarHBondContact O-N 3.45Å; L965-R967 PolarHBondContact O-N 2.88Å; R967-D971 VanDerWaalsContact CA-CB 3.49Å; R967-D971 HydrophobicContact CB-CB 3.65Å; R967-D971 HydrophobicContact CG-CB 3.8Å; R967-L972 HydrophobicContact CB-CB 4.34Å; R967-L972 HydrophobicContact CB-CD2 3.88Å; R967-L972 HydrophobicContact CB-CG 3.62Å; R967-L972 HydrophobicContact CG-CD2 3.94Å; R967-L972 HydrophobicContact CG-CG 4.07Å; R967-D975 VanDerWaalsContact CZ-CB 3.4Å; R967-D975 IonicContact CZ-OD2 3.5Å; R967-D975 IonicContact NE-OD2 3.42Å; R967-D975 PolarHBondContact NE-OD2 3.42Å; R967-D975 IonicContact NH1-OD2 2.62Å; R967-D975 IonicContact NH2-OD1 3.28Å; R967-D975 IonicContact NH2-OD2 2.7Å; R967-D975 PolarHBondContact NH2-OD2 3.18Å
968T66.6Low61.7Low10 Ų1054.9 Ų54.96%0.06131%0.306CS..  trans-67.8179149.562.90000111.7A9 Q53 L970 D971 L972A9-T968 PolarHBondContact O-N 3.3Å; Q53-T968 VanDerWaalsContact OE1-CG2 3.32Å; Q53-T968 PolarHBondContact OE1-OG1 3.47Å; T968-L970 VanDerWaalsContact C-N 3.33Å; T968-L970 PolarHBondContact O-N 2.88Å; T968-D971 PolarHBondContact O-N 2.93Å; T968-D971 PolarHBondContact OG1-N 3.29Å; T968-D971 VanDerWaalsContact OG1-N 3.16Å; T968-D971 PolarHBondContact OG1-OD2 2.92Å; T968-L972 WeakPolarHBondContact O-CG 3.24Å; T968-L972 PolarHBondContact O-N 2.83Å
969S73.8Confident64.2Low19 Ų1946.6 Ų46.613%0.13327%0.269CS..Hα-helixtrans-55.9-43.8171.246.30000113.1Y170 L972 E973Y170-S969 WeakPolarHBondContact CE2-O 3.44Å; S969-L972 WeakPolarHBondContact O-CB 3.31Å; S969-L972 PolarHBondContact O-N 2.85Å; S969-E973 PolarHBondContact O-N 2.98Å
970L80.2Confident67.3Low4 Ų445.1 Ų45.12%0.02125%0.25CS..Hα-helixtrans-69.2-40.2178.1176.448.5000112Q53 E54 L57 I159 V163 T968 L972 L974 F1070Q53-L970 HydrophobicContact CB-CD2 3.93Å; E54-L970 HydrophobicContact CG-CD2 4.41Å; L57-L970 HydrophobicContact CD2-CD1 3.87Å; L57-L970 HydrophobicContact CD2-CD2 4.23Å; I159-L970 HydrophobicContact CG2-CD1 3.31Å; V163-L970 HydrophobicContact CG1-CB 4.5Å; V163-L970 HydrophobicContact CG2-CB 3.95Å; V163-L970 HydrophobicContact CG2-CD1 3.87Å; V163-L970 HydrophobicContact CG2-CG 4.39Å; T968-L970 VanDerWaalsContact C-N 3.33Å; T968-L970 PolarHBondContact O-N 2.88Å; L970-L972 VanDerWaalsContact C-N 3.33Å; L970-L972 PolarHBondContact O-N 2.88Å; L970-L974 HydrophobicContact CD1-CD1 3.84Å; L970-L974 HydrophobicContact CD1-CG 4.07Å; L970-L974 HydrophobicContact CG-CD1 4Å; L970-L974 WeakPolarHBondContact O-CB 3.48Å; L970-L974 WeakPolarHBondContact O-CG 3.28Å; L970-L974 PolarHBondContact O-N 3.1Å; L970-F1070 HydrophobicContact CD2-CE2 4.18Å; L970-F1070 HydrophobicContact CD2-CZ 3.88Å; L970-F1070 HydrophobicContact CG-CE2 4.02Å; L970-F1070 HydrophobicContact CG-CZ 4.17Å
971D80.1Confident69.7Low5 Ų536.3 Ų36.33%0.02721%0.214CC..Hα-helixtrans-64.7-32.4172.1-89.7-57.4000113.2Q53 R967 T968 D975 K1073Q53-D971 PolarHBondContact NE2-OD2 2.86Å; R967-D971 VanDerWaalsContact CA-CB 3.49Å; R967-D971 HydrophobicContact CB-CB 3.65Å; R967-D971 HydrophobicContact CG-CB 3.8Å; T968-D971 PolarHBondContact O-N 2.93Å; T968-D971 PolarHBondContact OG1-N 3.29Å; T968-D971 VanDerWaalsContact OG1-N 3.16Å; T968-D971 PolarHBondContact OG1-OD2 2.92Å; D971-D975 WeakPolarHBondContact O-CB 3.39Å; D971-D975 PolarHBondContact O-N 2.91Å; D971-K1073 IonicContact OD1-NZ 2.84Å; D971-K1073 PolarHBondContact OD1-NZ 3.21Å
972L81.3Confident72.3Confident11 Ų1138.7 Ų38.76%0.05821%0.207CC..Hα-helixtrans-60.3-51.9176.6-84.8169.9000111.1Y170 A175 I178 L179 R967 T968 S969 L970 L976Y170-L972 HydrophobicContact CD2-CB 4.08Å; Y170-L972 HydrophobicContact CD2-CD1 3.89Å; Y170-L972 HydrophobicContact CE2-CB 4.16Å; A175-L972 HydrophobicContact CB-CD1 3.61Å; I178-L972 HydrophobicContact CB-CD2 4.39Å; I178-L972 HydrophobicContact CD1-CB 4.31Å; I178-L972 HydrophobicContact CG2-CB 4.26Å; I178-L972 HydrophobicContact CG2-CD2 3.92Å; L179-L972 HydrophobicContact CD2-CD2 3.79Å; L179-L972 HydrophobicContact CG-CD2 4.04Å; R967-L972 HydrophobicContact CB-CB 4.34Å; R967-L972 HydrophobicContact CB-CD2 3.88Å; R967-L972 HydrophobicContact CB-CG 3.62Å; R967-L972 HydrophobicContact CG-CD2 3.94Å; R967-L972 HydrophobicContact CG-CG 4.07Å; T968-L972 WeakPolarHBondContact O-CG 3.24Å; T968-L972 PolarHBondContact O-N 2.83Å; S969-L972 WeakPolarHBondContact O-CB 3.31Å; S969-L972 PolarHBondContact O-N 2.85Å; L970-L972 VanDerWaalsContact C-N 3.33Å; L970-L972 PolarHBondContact O-N 2.88Å; L972-L976 VanDerWaalsContact O-CB 3.3Å; L972-L976 WeakPolarHBondContact O-CB 3.39Å; L972-L976 PolarHBondContact O-N 3.1Å
973E85.3Confident75Confident10 Ų1036.4 Ų36.45%0.04719%0.193CC..Hα-helixtrans-69.5-42.8178.4-175.272.918000111.1I159 K162 Y170 S969 D975 L976 Q977I159-E973 HydrophobicContact CB-CG 4.45Å; I159-E973 HydrophobicContact CD1-CG 4.41Å; I159-E973 HydrophobicContact CG1-CG 3.71Å; I159-E973 HydrophobicContact CG2-CG 4.34Å; K162-E973 HydrophobicContact CD-CG 4.32Å; K162-E973 WeakPolarHBondContact CD-OE1 3.49Å; K162-E973 IonicContact NZ-OE1 2.64Å; K162-E973 PolarHBondContact NZ-OE1 3.06Å; Y170-E973 HydrophobicContact CE2-CB 4.34Å; Y170-E973 PolarHBondContact OH-OE2 3.22Å; S969-E973 PolarHBondContact O-N 2.98Å; E973-D975 PolarHBondContact O-N 3.28Å; E973-L976 WeakPolarHBondContact O-CB 3.49Å; E973-L976 PolarHBondContact O-N 2.78Å; E973-Q977 HydrophobicContact CG-CG 4.21Å; E973-Q977 WeakPolarHBondContact O-CG 3.38Å; E973-Q977 PolarHBondContact O-N 2.74Å; E973-Q977 PolarHBondContact OE1-NE2 3.31Å
974L87Confident77.7Confident0 Ų032.3 Ų32.30%018%0.18CC..Hα-helixtrans-57.1-48.7176.6-82.1166.9000112.2L156 I159 L970 L976 Q977 V978 F1070 I1074 L1077L156-L974 HydrophobicContact CD2-CD2 3.83Å; I159-L974 HydrophobicContact CD1-CD2 3.81Å; I159-L974 HydrophobicContact CD1-CG 4.36Å; I159-L974 HydrophobicContact CG2-CD2 4.43Å; I159-L974 HydrophobicContact CG2-CG 4.26Å; L970-L974 HydrophobicContact CD1-CD1 3.84Å; L970-L974 HydrophobicContact CD1-CG 4.07Å; L970-L974 HydrophobicContact CG-CD1 4Å; L970-L974 WeakPolarHBondContact O-CB 3.48Å; L970-L974 WeakPolarHBondContact O-CG 3.28Å; L970-L974 PolarHBondContact O-N 3.1Å; L974-L976 VanDerWaalsContact C-N 3.33Å; L974-L976 PolarHBondContact O-N 2.84Å; L974-Q977 PolarHBondContact O-N 3.18Å; L974-V978 VanDerWaalsContact O-CB 3.28Å; L974-V978 WeakPolarHBondContact O-CB 3.36Å; L974-V978 WeakPolarHBondContact O-CG2 3.35Å; L974-V978 PolarHBondContact O-N 2.8Å; L974-F1070 HydrophobicContact CD1-CD2 3.99Å; L974-F1070 HydrophobicContact CD1-CE2 3.39Å; L974-F1070 HydrophobicContact CD1-CZ 3.91Å; L974-I1074 HydrophobicContact CD1-CD1 4.31Å; L974-I1074 HydrophobicContact CD1-CG1 4Å; L974-I1074 HydrophobicContact CD2-CG1 3.77Å; L974-L1077 HydrophobicContact CD2-CD1 4.15Å
975D85.8Confident79.9Confident22 Ų2231.2 Ų31.212%0.11816%0.159CC..Hα-helixtrans-70.8-27.7178.7-85.4-43.2000113.2R967 D971 E973 S979 K1073R967-D975 VanDerWaalsContact CZ-CB 3.4Å; R967-D975 IonicContact CZ-OD2 3.5Å; R967-D975 IonicContact NE-OD2 3.42Å; R967-D975 PolarHBondContact NE-OD2 3.42Å; R967-D975 IonicContact NH1-OD2 2.62Å; R967-D975 IonicContact NH2-OD1 3.28Å; R967-D975 IonicContact NH2-OD2 2.7Å; R967-D975 PolarHBondContact NH2-OD2 3.18Å; D971-D975 WeakPolarHBondContact O-CB 3.39Å; D971-D975 PolarHBondContact O-N 2.91Å; E973-D975 PolarHBondContact O-N 3.28Å; D975-S979 VanDerWaalsContact O-CB 3.28Å; D975-S979 WeakPolarHBondContact O-CB 3.38Å; D975-S979 PolarHBondContact O-N 3.33Å; D975-S979 PolarHBondContact O-OG 3.22Å; D975-K1073 VanDerWaalsContact CG-NZ 3.33Å; D975-K1073 WeakPolarHBondContact OD1-CD 3.28Å; D975-K1073 WeakPolarHBondContact OD1-CE 3.3Å; D975-K1073 IonicContact OD1-NZ 2.73Å; D975-K1073 WeakPolarHBondContact OD2-CE 3.48Å; D975-K1073 IonicContact OD2-NZ 2.6Å; D975-K1073 PolarHBondContact OD2-NZ 3.49Å
976L88.7Confident82.3Confident4 Ų429.5 Ų29.52%0.02115%0.15CC..Hα-helixtrans-65.2-52171.717963.2000110.5I178 E181 V182 I185 L972 E973 L974 S979 R980I178-L976 HydrophobicContact CG1-CD2 4.23Å; I178-L976 HydrophobicContact CG2-CB 4.05Å; I178-L976 HydrophobicContact CG2-CD1 4.44Å; I178-L976 HydrophobicContact CG2-CD2 4.14Å; I178-L976 HydrophobicContact CG2-CG 4.45Å; E181-L976 HydrophobicContact CB-CD1 4.14Å; E181-L976 HydrophobicContact CG-CD1 4.2Å; V182-L976 HydrophobicContact CG2-CB 4.17Å; V182-L976 HydrophobicContact CG2-CD1 3.83Å; I185-L976 HydrophobicContact CD1-CD1 4.15Å; L972-L976 VanDerWaalsContact O-CB 3.3Å; L972-L976 WeakPolarHBondContact O-CB 3.39Å; L972-L976 PolarHBondContact O-N 3.1Å; E973-L976 WeakPolarHBondContact O-CB 3.49Å; E973-L976 PolarHBondContact O-N 2.78Å; L974-L976 VanDerWaalsContact C-N 3.33Å; L974-L976 PolarHBondContact O-N 2.84Å; L976-S979 WeakPolarHBondContact O-CB 3.46Å; L976-S979 PolarHBondContact O-N 3.5Å; L976-S979 VanDerWaalsContact O-N 3.15Å; L976-R980 WeakPolarHBondContact O-CG 3.23Å; L976-R980 PolarHBondContact O-N 2.91Å
977Q90.4Very high84.6Confident23 Ų2330.2 Ų30.211%0.10716%0.157CC..Hα-helixtrans-67.3-41.1-179.6-59.8-64.33.100111.3T155 I159 E973 L974 S979 R980 T981 L1077T155-Q977 HydrophobicContact CG2-CB 3.96Å; T155-Q977 HydrophobicContact CG2-CG 4.11Å; I159-Q977 HydrophobicContact CD1-CB 4.17Å; I159-Q977 HydrophobicContact CD1-CG 3.99Å; I159-Q977 HydrophobicContact CG1-CG 4.32Å; E973-Q977 HydrophobicContact CG-CG 4.21Å; E973-Q977 WeakPolarHBondContact O-CG 3.38Å; E973-Q977 PolarHBondContact O-N 2.74Å; E973-Q977 PolarHBondContact OE1-NE2 3.31Å; L974-Q977 PolarHBondContact O-N 3.18Å; Q977-S979 VanDerWaalsContact C-N 3.25Å; Q977-S979 PolarHBondContact O-N 2.96Å; Q977-R980 VanDerWaalsContact NE2-NH1 3.2Å; Q977-R980 PolarHBondContact O-N 2.93Å; Q977-T981 WeakPolarHBondContact O-CB 3.48Å; Q977-T981 PolarHBondContact O-N 3.22Å; Q977-T981 PolarHBondContact O-OG1 2.99Å; Q977-L1077 HydrophobicContact CB-CD2 4.4Å
978V89.8Confident85.9Confident22 Ų2231.5 Ų31.513%0.13316%0.164CC..Hα-helixtrans-56.3-40170.7164.30000111.6L974 R982 K1073 F1076 L1077L974-V978 VanDerWaalsContact O-CB 3.28Å; L974-V978 WeakPolarHBondContact O-CB 3.36Å; L974-V978 WeakPolarHBondContact O-CG2 3.35Å; L974-V978 PolarHBondContact O-N 2.8Å; V978-R982 WeakPolarHBondContact O-CB 3.31Å; V978-R982 PolarHBondContact O-N 3.19Å; V978-K1073 HydrophobicContact CG2-CB 4.23Å; V978-F1076 HydrophobicContact CB-CD1 4.31Å; V978-F1076 HydrophobicContact CG1-CD1 3.78Å; V978-F1076 HydrophobicContact CG1-CE1 4.08Å; V978-F1076 HydrophobicContact CG1-CG 4.42Å; V978-F1076 HydrophobicContact CG2-CD1 4.1Å; V978-L1077 HydrophobicContact CG2-CD1 4.37Å; V978-L1077 HydrophobicContact CG2-CD2 3.94Å; V978-L1077 HydrophobicContact CG2-CG 3.93Å
979S88.6Confident86.9Confident20 Ų2032 Ų3214%0.1417%0.165CC..Hα-helixtrans-67.2-48.2176.4-60.10000111.7I185 D975 L976 Q977 R982 Q983I185-S979 WeakPolarHBondContact CG2-O 3.22Å; D975-S979 VanDerWaalsContact O-CB 3.28Å; D975-S979 WeakPolarHBondContact O-CB 3.38Å; D975-S979 PolarHBondContact O-N 3.33Å; D975-S979 PolarHBondContact O-OG 3.22Å; L976-S979 WeakPolarHBondContact O-CB 3.46Å; L976-S979 PolarHBondContact O-N 3.5Å; L976-S979 VanDerWaalsContact O-N 3.15Å; Q977-S979 VanDerWaalsContact C-N 3.25Å; Q977-S979 PolarHBondContact O-N 2.96Å; S979-R982 PolarHBondContact O-N 2.74Å; S979-Q983 PolarHBondContact O-N 2.9Å
980R91.2Very high87.7Confident90 Ų9031.5 Ų31.534%0.3416%0.161SC..Hα-helixtrans-59.4-47.2176-71.2173.8176167.1-3.9111.7E181 I185 L976 Q977 R982 Q983 A984E181-R980 IonicContact OE1-CZ 3.71Å; E181-R980 VanDerWaalsContact OE1-CZ 3.24Å; E181-R980 IonicContact OE1-NE 3.13Å; E181-R980 PolarHBondContact OE1-NE 2.98Å; E181-R980 IonicContact OE1-NH2 3.68Å; E181-R980 PolarHBondContact OE1-NH2 2.83Å; E181-R980 IonicContact OE2-CZ 2.78Å; E181-R980 IonicContact OE2-NH2 2.84Å; E181-R980 PolarHBondContact OE2-NH2 3.39Å; I185-R980 HydrophobicContact CD1-CG 3.7Å; L976-R980 WeakPolarHBondContact O-CG 3.23Å; L976-R980 PolarHBondContact O-N 2.91Å; Q977-R980 VanDerWaalsContact NE2-NH1 3.2Å; Q977-R980 PolarHBondContact O-N 2.93Å; R980-R982 PolarHBondContact O-N 2.98Å; R980-Q983 WeakPolarHBondContact O-CB 3.27Å; R980-Q983 PolarHBondContact O-N 3.31Å; R980-A984 WeakPolarHBondContact O-CB 3.47Å; R980-A984 PolarHBondContact O-N 3.15Å
981T89.4Confident88.3Confident31 Ų3138.7 Ų38.719%0.1919%0.188CC..Hα-helixtrans-61.3-42.1175.7-57.80000111.8Q977 A984 R985 F1076 L1077Q977-T981 WeakPolarHBondContact O-CB 3.48Å; Q977-T981 PolarHBondContact O-N 3.22Å; Q977-T981 PolarHBondContact O-OG1 2.99Å; T981-A984 PolarHBondContact O-N 2.78Å; T981-R985 HydrophobicContact CG2-CG 4.47Å; T981-R985 WeakPolarHBondContact O-CB 3.47Å; T981-R985 VanDerWaalsContact O-CG 3.31Å; T981-R985 WeakPolarHBondContact O-CG 3.29Å; T981-R985 PolarHBondContact O-N 3.46Å; T981-F1076 HydrophobicContact CG2-CE1 4.24Å; T981-L1077 HydrophobicContact CG2-CD2 4.38Å; T981-L1077 WeakPolarHBondContact OG1-CD2 3.43Å
982R88.9Confident88.6Confident103 Ų10338.9 Ų38.939%0.38919%0.189SC..Hα-helixtrans-64.4-40.2175.3-176.4175.4171.8-139.7-2.9111.7I189 E193 V978 S979 R980 L986 F1076I189-R982 HydrophobicContact CD1-CB 4.11Å; I189-R982 HydrophobicContact CD1-CG 3.98Å; E193-R982 IonicContact OE1-CZ 3.91Å; E193-R982 IonicContact OE1-NH2 2.94Å; E193-R982 PolarHBondContact OE1-NH2 3.47Å; E193-R982 IonicContact OE2-NH2 3.07Å; E193-R982 PolarHBondContact OE2-NH2 2.94Å; V978-R982 WeakPolarHBondContact O-CB 3.31Å; V978-R982 PolarHBondContact O-N 3.19Å; S979-R982 PolarHBondContact O-N 2.74Å; R980-R982 PolarHBondContact O-N 2.98Å; R982-L986 WeakPolarHBondContact O-CB 3.49Å; R982-L986 PolarHBondContact O-N 3.31Å; R982-F1076 HydrophobicContact CB-CE1 4.25Å; R982-F1076 HydrophobicContact CB-CZ 4.03Å; R982-F1076 HydrophobicContact CG-CZ 4.46Å
983Q91.1Very high88.9Confident66 Ų6638.4 Ų38.431%0.30819%0.186SC..Hα-helixtrans-63.5-49.3174.5-172.9-176.84.400111.3I185 I189 S979 R980 R985 L986 T987I185-Q983 HydrophobicContact CG2-CB 3.97Å; I189-Q983 HydrophobicContact CD1-CB 4.19Å; I189-Q983 HydrophobicContact CG1-CB 4.03Å; I189-Q983 HydrophobicContact CG1-CG 4.42Å; S979-Q983 PolarHBondContact O-N 2.9Å; R980-Q983 WeakPolarHBondContact O-CB 3.27Å; R980-Q983 PolarHBondContact O-N 3.31Å; Q983-R985 PolarHBondContact O-N 3.39Å; Q983-L986 CarbonylContact O-C 3.56Å; Q983-L986 WeakPolarHBondContact O-CB 3.36Å; Q983-L986 PolarHBondContact O-N 3.41Å; Q983-L986 VanDerWaalsContact O-N 3.16Å; Q983-T987 PolarHBondContact O-N 2.84Å; Q983-T987 PolarHBondContact O-OG1 2.92Å; Q983-T987 VanDerWaalsContact O-OG1 3.12Å
984A89.8Confident89.3Confident62 Ų6243.4 Ų43.451%0.51221%0.205SC..Hα-helixtrans-60.2-44.9179.300000112.4R980 T981 L986 T987 Q988R980-A984 WeakPolarHBondContact O-CB 3.47Å; R980-A984 PolarHBondContact O-N 3.15Å; T981-A984 PolarHBondContact O-N 2.78Å; A984-L986 PolarHBondContact O-N 2.82Å; A984-T987 PolarHBondContact O-N 3.41Å; A984-Q988 PolarHBondContact O-N 2.84Å
985R87.6Confident89.4Confident32 Ų3247 Ų4712%0.12122%0.222CC..Hα-helixtrans-58.4-46.7173.1-72.7176.6-174.8164.26.4111T981 Q983 T987 Q988 E989 F1076 L1077 R1079T981-R985 HydrophobicContact CG2-CG 4.47Å; T981-R985 WeakPolarHBondContact O-CB 3.47Å; T981-R985 VanDerWaalsContact O-CG 3.31Å; T981-R985 WeakPolarHBondContact O-CG 3.29Å; T981-R985 PolarHBondContact O-N 3.46Å; Q983-R985 PolarHBondContact O-N 3.39Å; R985-T987 PolarHBondContact O-N 2.84Å; R985-Q988 PolarHBondContact O-N 2.96Å; R985-E989 WeakPolarHBondContact O-CB 3.5Å; R985-E989 WeakPolarHBondContact O-CG 3.33Å; R985-E989 PolarHBondContact O-N 3.34Å; R985-F1076 PolarHBondContact NH1-O 3.41Å; R985-F1076 PolarHBondContact NH2-O 3.4Å; R985-L1077 PolarHBondContact NH2-O 3.14Å; R985-R1079 PolarHBondContact NH1-O 2.8Å; R985-R1079 PolarHBondContact NH2-O 3.43Å
986L88.9Confident89.4Confident12 Ų1246 Ų466%0.06322%0.216CC..Hα-helixtrans-63.7-38.5176.8179.362.7000112.7I189 E193 K196 R982 Q983 A984 E989 L990I189-L986 HydrophobicContact CB-CD2 4.28Å; I189-L986 HydrophobicContact CG1-CD2 4.35Å; I189-L986 HydrophobicContact CG2-CD2 4.02Å; E193-L986 HydrophobicContact CG-CD1 4.25Å; E193-L986 HydrophobicContact CG-CD2 3.84Å; K196-L986 HydrophobicContact CB-CD1 4.43Å; K196-L986 HydrophobicContact CD-CD1 4.03Å; R982-L986 WeakPolarHBondContact O-CB 3.49Å; R982-L986 PolarHBondContact O-N 3.31Å; Q983-L986 CarbonylContact O-C 3.56Å; Q983-L986 WeakPolarHBondContact O-CB 3.36Å; Q983-L986 PolarHBondContact O-N 3.41Å; Q983-L986 VanDerWaalsContact O-N 3.16Å; A984-L986 PolarHBondContact O-N 2.82Å; L986-E989 PolarHBondContact O-N 2.93Å; L986-L990 HydrophobicContact CD1-CD1 4.48Å; L986-L990 HydrophobicContact CD1-CG 4.39Å; L986-L990 HydrophobicContact CG-CD1 4.22Å; L986-L990 WeakPolarHBondContact O-CB 3.39Å; L986-L990 VanDerWaalsContact O-CG 3.26Å; L986-L990 WeakPolarHBondContact O-CG 3.44Å; L986-L990 PolarHBondContact O-N 2.83Å
987T90.9Very high89.5Confident71 Ų7148 Ų4844%0.43623%0.225SC..Hα-helixtrans-66.4-38.7176-61.90000112Q983 A984 R985 L990 R991Q983-T987 PolarHBondContact O-N 2.84Å; Q983-T987 PolarHBondContact O-OG1 2.92Å; Q983-T987 VanDerWaalsContact O-OG1 3.12Å; A984-T987 PolarHBondContact O-N 3.41Å; R985-T987 PolarHBondContact O-N 2.84Å; T987-L990 PolarHBondContact O-N 2.89Å; T987-R991 WeakPolarHBondContact O-CB 3.17Å; T987-R991 PolarHBondContact O-N 2.96Å
988Q88.6Confident89.4Confident45 Ų4551.1 Ų51.121%0.2124%0.241CC..Hα-helixtrans-66.5-43.2172.2177.161.110.600111.6A984 R985 L990 R991 V992 N1086A984-Q988 PolarHBondContact O-N 2.84Å; R985-Q988 PolarHBondContact O-N 2.96Å; Q988-L990 VanDerWaalsContact C-N 3.34Å; Q988-L990 PolarHBondContact O-N 2.84Å; Q988-R991 WeakPolarHBondContact O-CB 3.39Å; Q988-R991 PolarHBondContact O-N 3.13Å; Q988-V992 WeakPolarHBondContact O-CG2 3.35Å; Q988-V992 PolarHBondContact O-N 2.87Å; Q988-N1086 PolarHBondContact NE2-OD1 3Å
989E88.2Confident89.2Confident21 Ų2152.9 Ų52.910%0.09825%0.248CC..Hα-helixtrans-59.5-42.2174.4-76.7-173163.700112.2K196 R985 L986 V992 L993 S1083 I1084K196-E989 IonicContact NZ-OE1 3.65Å; K196-E989 IonicContact NZ-OE2 2.71Å; K196-E989 PolarHBondContact NZ-OE2 2.92Å; R985-E989 WeakPolarHBondContact O-CB 3.5Å; R985-E989 WeakPolarHBondContact O-CG 3.33Å; R985-E989 PolarHBondContact O-N 3.34Å; L986-E989 PolarHBondContact O-N 2.93Å; E989-V992 PolarHBondContact O-N 2.95Å; E989-L993 WeakPolarHBondContact O-CB 3.4Å; E989-L993 VanDerWaalsContact O-CG 3.32Å; E989-L993 WeakPolarHBondContact O-CG 3.31Å; E989-L993 PolarHBondContact O-N 3.06Å; E989-S1083 VanDerWaalsContact CD-OG 3.22Å; E989-S1083 WeakPolarHBondContact OE1-CA 3.35Å; E989-S1083 WeakPolarHBondContact OE1-CB 3.47Å; E989-S1083 PolarHBondContact OE1-N 2.86Å; E989-S1083 PolarHBondContact OE1-OG 2.81Å; E989-S1083 PolarHBondContact OE2-OG 3.39Å; E989-I1084 HydrophobicContact CB-CD1 3.64Å; E989-I1084 HydrophobicContact CB-CG1 4.12Å; E989-I1084 HydrophobicContact CG-CB 4.08Å; E989-I1084 HydrophobicContact CG-CD1 3.92Å; E989-I1084 HydrophobicContact CG-CG1 3.8Å
990L90.4Very high89Confident8 Ų852 Ų524%0.04224%0.242CC..Hα-helixtrans-65.5-41.6173.9-73170.9000112.4E195 K196 L199 L986 T987 Q988 V992 L993 R994E195-L990 HydrophobicContact CB-CD2 3.93Å; E195-L990 HydrophobicContact CG-CD2 4.07Å; K196-L990 HydrophobicContact CB-CD2 3.91Å; L199-L990 HydrophobicContact CD1-CD2 3.79Å; L986-L990 HydrophobicContact CD1-CD1 4.48Å; L986-L990 HydrophobicContact CD1-CG 4.39Å; L986-L990 HydrophobicContact CG-CD1 4.22Å; L986-L990 WeakPolarHBondContact O-CB 3.39Å; L986-L990 VanDerWaalsContact O-CG 3.26Å; L986-L990 WeakPolarHBondContact O-CG 3.44Å; L986-L990 PolarHBondContact O-N 2.83Å; T987-L990 PolarHBondContact O-N 2.89Å; Q988-L990 VanDerWaalsContact C-N 3.34Å; Q988-L990 PolarHBondContact O-N 2.84Å; L990-V992 VanDerWaalsContact C-N 3.35Å; L990-V992 PolarHBondContact O-N 2.79Å; L990-L993 PolarHBondContact O-N 2.85Å; L990-R994 WeakPolarHBondContact O-CB 3.38Å; L990-R994 WeakPolarHBondContact O-CG 3.27Å; L990-R994 PolarHBondContact O-N 3.31Å
991R91.4Very high88.9Confident155 Ų15549.9 Ų49.959%0.58524%0.236SC*.Hα-helixtrans-56.4-49.3174.7179.4-172.8-74.9144.9-11.9110.8T987 Q988 R994 E995T987-R991 WeakPolarHBondContact O-CB 3.17Å; T987-R991 PolarHBondContact O-N 2.96Å; Q988-R991 WeakPolarHBondContact O-CB 3.39Å; Q988-R991 PolarHBondContact O-N 3.13Å; R991-R994 PolarHBondContact O-N 3.08Å; R991-E995 PolarHBondContact O-N 2.89Å
992V87.4Confident88.7Confident9 Ų954.3 Ų54.36%0.05525%0.252CS..Hα-helixtrans-63.7-43.1178.51720000111.9Q988 E989 L990 R994 E995 L996 I1084 P1085 L1087Q988-V992 WeakPolarHBondContact O-CG2 3.35Å; Q988-V992 PolarHBondContact O-N 2.87Å; E989-V992 PolarHBondContact O-N 2.95Å; L990-V992 VanDerWaalsContact C-N 3.35Å; L990-V992 PolarHBondContact O-N 2.79Å; V992-R994 PolarHBondContact O-N 2.84Å; V992-E995 PolarHBondContact O-N 2.8Å; V992-L996 VanDerWaalsContact O-CB 3.32Å; V992-L996 WeakPolarHBondContact O-CB 3.47Å; V992-L996 PolarHBondContact O-N 3.29Å; V992-I1084 HydrophobicContact CB-CG2 4.34Å; V992-I1084 HydrophobicContact CG1-CG2 3.71Å; V992-P1085 VanDerWaalsContact CG1-O 3.31Å; V992-P1085 WeakPolarHBondContact CG1-O 3.33Å; V992-L1087 HydrophobicContact CG1-CG 4.45Å
993L88.4Confident88.5Confident0 Ų049.6 Ų49.60%024%0.236CC..Hα-helixtrans-65.2-36.1177.2-74.7171.8000113.3K196 L199 M200 L203 E989 L990 K997 L1024 I1084K196-L993 HydrophobicContact CB-CD1 4.47Å; K196-L993 HydrophobicContact CG-CD1 3.83Å; L199-L993 HydrophobicContact CB-CB 4.12Å; L199-L993 HydrophobicContact CB-CD1 4.29Å; L199-L993 HydrophobicContact CD1-CB 3.83Å; M200-L993 HydrophobicContact CG-CD1 4.49Å; M200-L993 HydrophobicContact SD-CD2 3.77Å; L203-L993 HydrophobicContact CD1-CD2 3.44Å; L203-L993 VanDerWaalsContact CD1-CD2 3.44Å; E989-L993 WeakPolarHBondContact O-CB 3.4Å; E989-L993 VanDerWaalsContact O-CG 3.32Å; E989-L993 WeakPolarHBondContact O-CG 3.31Å; E989-L993 PolarHBondContact O-N 3.06Å; L990-L993 PolarHBondContact O-N 2.85Å; L993-K997 VanDerWaalsContact O-CB 3.27Å; L993-K997 WeakPolarHBondContact O-CB 3.34Å; L993-K997 PolarHBondContact O-N 3.26Å; L993-L1024 HydrophobicContact CD2-CD2 4.22Å; L993-I1084 HydrophobicContact CD1-CD1 3.44Å; L993-I1084 VanDerWaalsContact CD1-CD1 3.44Å; L993-I1084 HydrophobicContact CD2-CD1 3.92Å; L993-I1084 HydrophobicContact CG-CD1 3.49Å; L993-I1084 VanDerWaalsContact CG-CD1 3.49Å
994R92.1Very high88Confident116 Ų11652 Ų5244%0.43824%0.242SC..Hα-helixtrans-65.5-45.2174.6-71.3166.7-174.11753.7110.9E195 L199 L990 R991 V992 K997 I998E195-R994 IonicContact OE1-CZ 3.89Å; E195-R994 IonicContact OE1-NE 2.76Å; E195-R994 PolarHBondContact OE1-NE 2.91Å; E195-R994 IonicContact OE1-NH2 2.87Å; E195-R994 PolarHBondContact OE1-NH2 2.74Å; E195-R994 IonicContact OE2-CZ 3.52Å; E195-R994 IonicContact OE2-NH2 2.81Å; E195-R994 PolarHBondContact OE2-NH2 3.4Å; L199-R994 HydrophobicContact CD1-CG 3.88Å; L199-R994 HydrophobicContact CD2-CG 4.41Å; L990-R994 WeakPolarHBondContact O-CB 3.38Å; L990-R994 WeakPolarHBondContact O-CG 3.27Å; L990-R994 PolarHBondContact O-N 3.31Å; R991-R994 PolarHBondContact O-N 3.08Å; V992-R994 PolarHBondContact O-N 2.84Å; R994-K997 WeakPolarHBondContact O-CB 3.33Å; R994-K997 PolarHBondContact O-N 2.93Å; R994-I998 VanDerWaalsContact O-CG1 3.3Å; R994-I998 WeakPolarHBondContact O-CG1 3.27Å; R994-I998 PolarHBondContact O-N 2.92Å
995E89.1Confident87.7Confident75 Ų7556.6 Ų56.635%0.3525%0.253SS..Hα-helixtrans-68.4-46.4179.5-17456.1-149.200111.9R991 V992 K997 I998 Q999 L1087R991-E995 PolarHBondContact O-N 2.89Å; V992-E995 PolarHBondContact O-N 2.8Å; E995-K997 PolarHBondContact O-N 3.3Å; E995-I998 PolarHBondContact O-N 3.41Å; E995-Q999 HydrophobicContact CG-CG 4.41Å; E995-Q999 WeakPolarHBondContact O-CG 3.32Å; E995-Q999 PolarHBondContact O-N 3.47Å; E995-Q999 WeakPolarHBondContact OE1-CG 3.34Å; E995-Q999 PolarHBondContact OE1-NE2 3.03Å; E995-L1087 HydrophobicContact CB-CD1 3.74Å; E995-L1087 HydrophobicContact CG-CD1 3.39Å
996L86.9Confident87.4Confident0 Ų061.1 Ų61.10%028%0.275CS..Hα-helixtrans-55-39.5173.2178.263.4000111.9L203 V992 L1000 W1014 F1021 L1024 L1087L203-L996 HydrophobicContact CD1-CD2 4.06Å; L203-L996 HydrophobicContact CD2-CD2 4.21Å; L203-L996 HydrophobicContact CD2-CG 3.98Å; V992-L996 VanDerWaalsContact O-CB 3.32Å; V992-L996 WeakPolarHBondContact O-CB 3.47Å; V992-L996 PolarHBondContact O-N 3.29Å; L996-L1000 HydrophobicContact CD1-CD1 4.12Å; L996-L1000 HydrophobicContact CD1-CG 4.36Å; L996-L1000 HydrophobicContact CG-CD1 4.19Å; L996-L1000 WeakPolarHBondContact O-CB 3.29Å; L996-L1000 VanDerWaalsContact O-CG 3.32Å; L996-L1000 WeakPolarHBondContact O-CG 3.2Å; L996-L1000 PolarHBondContact O-N 3.45Å; L996-W1014 HydrophobicContact CD1-CH2 3.74Å; L996-W1014 HydrophobicContact CD1-CZ3 4.18Å; L996-F1021 HydrophobicContact CD1-CD1 4.28Å; L996-F1021 HydrophobicContact CD1-CE1 4.43Å; L996-F1021 HydrophobicContact CD2-CD1 3.9Å; L996-F1021 HydrophobicContact CD2-CE1 4.06Å; L996-L1024 HydrophobicContact CD2-CD2 3.84Å; L996-L1087 HydrophobicContact CB-CD2 4.47Å; L996-L1087 HydrophobicContact CD1-CD2 4.3Å
997K89.6Confident86.6Confident47 Ų4763.1 Ų63.120%0.20430%0.298CS..Hα-helixtrans-63.3-47.3173.9176.1-175.5176.7-69.10111.6L199 L203 L206 L993 R994 E995 L1000 E1001L199-K997 HydrophobicContact CD2-CD 3.85Å; L203-K997 HydrophobicContact CD2-CB 4.06Å; L206-K997 HydrophobicContact CD1-CG 3.84Å; L993-K997 VanDerWaalsContact O-CB 3.27Å; L993-K997 WeakPolarHBondContact O-CB 3.34Å; L993-K997 PolarHBondContact O-N 3.26Å; R994-K997 WeakPolarHBondContact O-CB 3.33Å; R994-K997 PolarHBondContact O-N 2.93Å; E995-K997 PolarHBondContact O-N 3.3Å; K997-L1000 PolarHBondContact O-N 3.26Å; K997-E1001 WeakPolarHBondContact CE-OE1 3.33Å; K997-E1001 IonicContact NZ-OE1 2.8Å; K997-E1001 PolarHBondContact NZ-OE1 3.13Å; K997-E1001 IonicContact NZ-OE2 2.85Å; K997-E1001 PolarHBondContact NZ-OE2 2.7Å; K997-E1001 WeakPolarHBondContact O-CB 3.05Å; K997-E1001 WeakPolarHBondContact O-CG 3.5Å; K997-E1001 PolarHBondContact O-N 2.68Å
998I89.9Confident85.7Confident89 Ų8963.9 Ų63.946%0.45630%0.297SS..Hα-helixtrans-61.2-44.6179.4-71162.6000110.7R994 E995 E1001 K1002R994-I998 VanDerWaalsContact O-CG1 3.3Å; R994-I998 WeakPolarHBondContact O-CG1 3.27Å; R994-I998 PolarHBondContact O-N 2.92Å; E995-I998 PolarHBondContact O-N 3.41Å; I998-E1001 PolarHBondContact O-N 2.87Å; I998-K1002 WeakPolarHBondContact O-CB 3.35Å; I998-K1002 PolarHBondContact O-N 3.24Å
999Q85.6Confident84.7Confident59 Ų5969.2 Ų69.228%0.27632%0.315SS..Hα-helixtrans-66.9-41-179.5-66-177.92.300112.2E995 K1002 A1003 W1014E995-Q999 HydrophobicContact CG-CG 4.41Å; E995-Q999 WeakPolarHBondContact O-CG 3.32Å; E995-Q999 PolarHBondContact O-N 3.47Å; E995-Q999 WeakPolarHBondContact OE1-CG 3.34Å; E995-Q999 PolarHBondContact OE1-NE2 3.03Å; Q999-K1002 PolarHBondContact O-N 3.15Å; Q999-A1003 WeakPolarHBondContact O-CB 3.38Å; Q999-A1003 PolarHBondContact O-N 2.9Å; Q999-W1014 HydrophobicContact CB-CZ2 4.22Å; Q999-W1014 VanDerWaalsContact OE1-CH2 3.26Å
1000L84.6Confident84Confident0 Ų075 Ų750%034%0.342CS..Hα-helixtrans-67.4-36.6172.7-70.7172.9000112.5L203 F210 L996 K997 R1004 L1011 P1012 V1015L203-L1000 HydrophobicContact CD2-CD1 3.77Å; F210-L1000 HydrophobicContact CE2-CB 4.3Å; F210-L1000 HydrophobicContact CE2-CD2 3.98Å; F210-L1000 HydrophobicContact CZ-CD2 4.25Å; F210-L1000 WeakPolarHBondContact CZ-O 3.49Å; L996-L1000 HydrophobicContact CD1-CD1 4.12Å; L996-L1000 HydrophobicContact CD1-CG 4.36Å; L996-L1000 HydrophobicContact CG-CD1 4.19Å; L996-L1000 WeakPolarHBondContact O-CB 3.29Å; L996-L1000 VanDerWaalsContact O-CG 3.32Å; L996-L1000 WeakPolarHBondContact O-CG 3.2Å; L996-L1000 PolarHBondContact O-N 3.45Å; K997-L1000 PolarHBondContact O-N 3.26Å; L1000-R1004 WeakPolarHBondContact O-CB 3.32Å; L1000-R1004 PolarHBondContact O-N 3.32Å; L1000-L1011 HydrophobicContact CD2-CD1 3.75Å; L1000-P1012 HydrophobicContact CD2-CG 4.27Å; L1000-V1015 HydrophobicContact CD2-CG2 4.41Å
1001E87.4Confident83.4Confident46 Ų4676 Ų7622%0.21535%0.348CS..Hα-helixtrans-66.2-39.4173.6-78.6173.1154.400112.2L206 K997 I998 R1004 Q1005L206-E1001 HydrophobicContact CD1-CG 3.83Å; L206-E1001 HydrophobicContact CD2-CG 3.63Å; L206-E1001 HydrophobicContact CG-CG 4.41Å; K997-E1001 WeakPolarHBondContact CE-OE1 3.33Å; K997-E1001 IonicContact NZ-OE1 2.8Å; K997-E1001 PolarHBondContact NZ-OE1 3.13Å; K997-E1001 IonicContact NZ-OE2 2.85Å; K997-E1001 PolarHBondContact NZ-OE2 2.7Å; K997-E1001 WeakPolarHBondContact O-CB 3.05Å; K997-E1001 WeakPolarHBondContact O-CG 3.5Å; K997-E1001 PolarHBondContact O-N 2.68Å; I998-E1001 PolarHBondContact O-N 2.87Å; E1001-R1004 PolarHBondContact O-N 2.83Å; E1001-Q1005 WeakPolarHBondContact O-CB 3.49Å; E1001-Q1005 VanDerWaalsContact O-CG 3.24Å; E1001-Q1005 WeakPolarHBondContact O-CG 3.41Å; E1001-Q1005 PolarHBondContact O-N 3.04Å
1002K86.3Confident82.8Confident124 Ų12469.3 Ų69.354%0.53932%0.324SS..Hα-helixtrans-63.6-48.4174.2-175.9-177.5178.4-173.90111.7I998 Q999 R1004 Q1005 Q1006I998-K1002 WeakPolarHBondContact O-CB 3.35Å; I998-K1002 PolarHBondContact O-N 3.24Å; Q999-K1002 PolarHBondContact O-N 3.15Å; K1002-R1004 VanDerWaalsContact C-N 3.31Å; K1002-R1004 PolarHBondContact O-N 3.06Å; K1002-Q1005 WeakPolarHBondContact O-CB 3.44Å; K1002-Q1005 PolarHBondContact O-N 3.08Å; K1002-Q1005 VanDerWaalsContact O-N 3.15Å; K1002-Q1006 WeakPolarHBondContact O-CG 3.42Å; K1002-Q1006 PolarHBondContact O-N 3.49Å
1003A83.4Confident82Confident5 Ų571.6 Ų71.64%0.04134%0.344CS..Hα-helixtrans-57.6-43.117600000112.1F210 Q999 Q1006 G1007 Q1008 P1012F210-A1003 HydrophobicContact CE1-CB 4.41Å; F210-A1003 HydrophobicContact CZ-CB 4.24Å; Q999-A1003 WeakPolarHBondContact O-CB 3.38Å; Q999-A1003 PolarHBondContact O-N 2.9Å; A1003-Q1006 PolarHBondContact O-N 3.49Å; A1003-G1007 PolarHBondContact O-N 3.42Å; A1003-Q1008 WeakPolarHBondContact O-CB 3.31Å; A1003-Q1008 PolarHBondContact O-N 2.93Å; A1003-P1012 HydrophobicContact CB-CG 3.73Å
1004R81Confident81.2Confident116 Ų11675.2 Ų75.244%0.43836%0.358SS..Hα-helixtrans-67.1-38.1175.7-168.5-177.664.5167-2.3112.6F210 L1000 E1001 K1002 Q1006 G1007F210-R1004 HydrophobicContact CE1-CB 4.17Å; F210-R1004 HydrophobicContact CZ-CB 3.85Å; L1000-R1004 WeakPolarHBondContact O-CB 3.32Å; L1000-R1004 PolarHBondContact O-N 3.32Å; E1001-R1004 PolarHBondContact O-N 2.83Å; K1002-R1004 VanDerWaalsContact C-N 3.31Å; K1002-R1004 PolarHBondContact O-N 3.06Å; R1004-Q1006 VanDerWaalsContact C-N 3.29Å; R1004-Q1006 PolarHBondContact O-N 3.28Å; R1004-G1007 PolarHBondContact O-N 3.02Å; R1004-G1007 VanDerWaalsContact O-N 3.1Å
1005Q83.4Confident80.4Confident159 Ų15969.7 Ų69.774%0.74334%0.337SS*.Hα-helixtrans-65.6-32173.7-75.4169.51300112.3E1001 K1002 G1007E1001-Q1005 WeakPolarHBondContact O-CB 3.49Å; E1001-Q1005 VanDerWaalsContact O-CG 3.24Å; E1001-Q1005 WeakPolarHBondContact O-CG 3.41Å; E1001-Q1005 PolarHBondContact O-N 3.04Å; K1002-Q1005 WeakPolarHBondContact O-CB 3.44Å; K1002-Q1005 PolarHBondContact O-N 3.08Å; K1002-Q1005 VanDerWaalsContact O-N 3.15Å; Q1005-G1007 PolarHBondContact O-N 2.84Å
1006Q82.1Confident79.5Confident127 Ų12770.9 Ų70.959%0.59334%0.343SS*.THydrogen-bonded Turntrans-74.54.1171.7-69.3173-34.300113.4K1002 A1003 R1004 Q1008K1002-Q1006 WeakPolarHBondContact O-CG 3.42Å; K1002-Q1006 PolarHBondContact O-N 3.49Å; A1003-Q1006 PolarHBondContact O-N 3.49Å; R1004-Q1006 VanDerWaalsContact C-N 3.29Å; R1004-Q1006 PolarHBondContact O-N 3.28Å; Q1006-Q1008 VanDerWaalsContact C-N 3.33Å; Q1006-Q1008 PolarHBondContact O-N 2.74Å
1007G70.7Confident78.6Confident53 Ų5378.4 Ų78.455%0.54638%0.378SS..THydrogen-bonded Turntrans78.49.8175.100000115.2A1003 R1004 Q1005 R1009A1003-G1007 PolarHBondContact O-N 3.42Å; R1004-G1007 PolarHBondContact O-N 3.02Å; R1004-G1007 VanDerWaalsContact O-N 3.1Å; Q1005-G1007 PolarHBondContact O-N 2.84Å; G1007-R1009 PolarHBondContact O-N 2.84Å
1008Q73Confident77.8Confident88 Ų8877.7 Ų77.741%0.41138%0.376SS..  trans-63.8122.9175.3-62.5-174.8-700109.7F210 A1003 Q1006F210-Q1008 WeakPolarHBondContact CD1-O 3.33Å; F210-Q1008 WeakPolarHBondContact CE1-O 3.5Å; A1003-Q1008 WeakPolarHBondContact O-CB 3.31Å; A1003-Q1008 PolarHBondContact O-N 2.93Å; Q1006-Q1008 VanDerWaalsContact C-N 3.33Å; Q1006-Q1008 PolarHBondContact O-N 2.74Å
1009R67.3Low77Confident157 Ų15778.8 Ų78.859%0.59238%0.379SS*.  trans-89.9-11.8179.6-63.6-168.9-176.6-157.23.2113.8F210 N213 G1007F210-R1009 CarbonylContact C-O 3.55Å; F210-R1009 WeakPolarHBondContact CA-O 3.35Å; N213-R1009 WeakPolarHBondContact ND2-CD 3.44Å; N213-R1009 PolarHBondContact ND2-NH1 3.11Å; N213-R1009 PolarHBondContact OD1-NH1 2.92Å; G1007-R1009 PolarHBondContact O-N 2.84Å
1010E73.6Confident76.5Confident141 Ų14180.9 Ų80.966%0.65939%0.385SS*.SBendtrans-117158.6179.8-66.7176.2-159.300109.6F210F210-E1010 VanDerWaalsContact CD1-O 3.23Å; F210-E1010 WeakPolarHBondContact CD1-O 3.39Å
1011L77.8Confident76.1Confident30 Ų3080.9 Ų80.916%0.15739%0.385CS..  trans-67.8138.9179.5-160.874.2000109.9F210 L1000 V1015 Q1016 L1025F210-L1011 HydrophobicContact CD2-CD1 3.99Å; F210-L1011 HydrophobicContact CE2-CD1 4.35Å; F210-L1011 HydrophobicContact CG-CD1 4.41Å; L1000-L1011 HydrophobicContact CD2-CD1 3.75Å; L1011-V1015 HydrophobicContact CD1-CG1 4.49Å; L1011-V1015 HydrophobicContact CD2-CB 3.92Å; L1011-V1015 HydrophobicContact CD2-CG1 3.65Å; L1011-V1015 HydrophobicContact CG-CB 3.98Å; L1011-V1015 HydrophobicContact CG-CG1 4.03Å; L1011-Q1016 HydrophobicContact CB-CG 4.07Å; L1011-Q1016 HydrophobicContact CD2-CG 4.32Å; L1011-Q1016 PolarHBondContact O-NE2 3.01Å; L1011-L1025 HydrophobicContact CD1-CD1 4.41Å; L1011-L1025 HydrophobicContact CD2-CD1 3.95Å
1012P78.9Confident75.5Confident14 Ų1485.2 Ų85.29%0.09140%0.399CS..  trans-57.3141.5-178.5-25.634000113L1000 A1003 W1014 V1015 Q1016L1000-P1012 HydrophobicContact CD2-CG 4.27Å; A1003-P1012 HydrophobicContact CB-CG 3.73Å; P1012-W1014 VanDerWaalsContact C-N 3.34Å; P1012-W1014 PolarHBondContact O-N 3.32Å; P1012-V1015 HydrophobicContact CB-CG2 4.06Å; P1012-V1015 HydrophobicContact CG-CG2 4.36Å; P1012-V1015 WeakPolarHBondContact O-CA 3.41Å; P1012-V1015 WeakPolarHBondContact O-CB 3.22Å; P1012-V1015 PolarHBondContact O-N 2.79Å; P1012-Q1016 PolarHBondContact O-N 3Å
1013A70Confident75.1Confident57 Ų5784.3 Ų84.347%0.47140%0.399SS..Hα-helixtrans-52.8-45.3-170.200000113.7V1015 Q1016 E1017A1013-V1015 PolarHBondContact O-N 2.9Å; A1013-V1015 VanDerWaalsContact O-N 3.15Å; A1013-Q1016 WeakPolarHBondContact O-CA 3.33Å; A1013-Q1016 WeakPolarHBondContact O-CB 3.22Å; A1013-Q1016 PolarHBondContact O-N 2.83Å; A1013-E1017 WeakPolarHBondContact O-CG 3.47Å; A1013-E1017 PolarHBondContact O-N 3.23Å
1014W72.3Confident75.1Confident76 Ų7684.4 Ų84.429%0.28840%0.399SS..Hα-helixtrans-60.2-25.4177.364.7-98.4000114.1L996 Q999 P1012 D1018 F1021 L1087 P1088L996-W1014 HydrophobicContact CD1-CH2 3.74Å; L996-W1014 HydrophobicContact CD1-CZ3 4.18Å; Q999-W1014 HydrophobicContact CB-CZ2 4.22Å; Q999-W1014 VanDerWaalsContact OE1-CH2 3.26Å; P1012-W1014 VanDerWaalsContact C-N 3.34Å; P1012-W1014 PolarHBondContact O-N 3.32Å; W1014-D1018 WeakPolarHBondContact O-CB 3.47Å; W1014-D1018 PolarHBondContact O-N 3.39Å; W1014-F1021 HydrophobicContact CZ3-CD2 4.44Å; W1014-F1021 HydrophobicContact CZ3-CE2 4.49Å; W1014-L1087 HydrophobicContact CH2-CD2 3.55Å; W1014-L1087 HydrophobicContact CZ3-CD2 3.51Å; W1014-P1088 HydrophobicContact CE3-CG 4.14Å
1015V75.2Confident75Confident0 Ų079 Ų790%038%0.379CS..Hα-helixtrans-82.6-27174.3-163.20000111.5L1000 L1011 P1012 A1013 F1021 L1025L1000-V1015 HydrophobicContact CD2-CG2 4.41Å; L1011-V1015 HydrophobicContact CD1-CG1 4.49Å; L1011-V1015 HydrophobicContact CD2-CB 3.92Å; L1011-V1015 HydrophobicContact CD2-CG1 3.65Å; L1011-V1015 HydrophobicContact CG-CB 3.98Å; L1011-V1015 HydrophobicContact CG-CG1 4.03Å; P1012-V1015 HydrophobicContact CB-CG2 4.06Å; P1012-V1015 HydrophobicContact CG-CG2 4.36Å; P1012-V1015 WeakPolarHBondContact O-CA 3.41Å; P1012-V1015 WeakPolarHBondContact O-CB 3.22Å; P1012-V1015 PolarHBondContact O-N 2.79Å; A1013-V1015 PolarHBondContact O-N 2.9Å; A1013-V1015 VanDerWaalsContact O-N 3.15Å; V1015-F1021 HydrophobicContact CG1-CB 4.12Å; V1015-L1025 HydrophobicContact CG1-CD1 3.68Å
1016Q70.7Confident74.7Confident101 Ų10177.2 Ų77.247%0.47237%0.369SS..Hα-helixtrans-77.3-41.1174.4-58.5-162.33500111.6L1011 P1012 A1013L1011-Q1016 HydrophobicContact CB-CG 4.07Å; L1011-Q1016 HydrophobicContact CD2-CG 4.32Å; L1011-Q1016 PolarHBondContact O-NE2 3.01Å; P1012-Q1016 PolarHBondContact O-N 3Å; A1013-Q1016 WeakPolarHBondContact O-CA 3.33Å; A1013-Q1016 WeakPolarHBondContact O-CB 3.22Å; A1013-Q1016 PolarHBondContact O-N 2.83Å
1017E68.6Low74.6Confident158 Ų15875.8 Ų75.874%0.73836%0.362SS*.Hα-helixtrans-74.3-36-177.4-70.4173.5-149.600113A1013 E1019A1013-E1017 WeakPolarHBondContact O-CG 3.47Å; A1013-E1017 PolarHBondContact O-N 3.23Å; E1017-E1019 PolarHBondContact O-N 3.06Å
1018D72Confident75Confident31 Ų3173.3 Ų73.317%0.16634%0.336CS..  trans-80.699.6175.9-168.4-22.4000111.7W1014 R1020 F1021 R1022W1014-D1018 WeakPolarHBondContact O-CB 3.47Å; W1014-D1018 PolarHBondContact O-N 3.39Å; D1018-R1020 PolarHBondContact O-N 3.42Å; D1018-R1020 WeakPolarHBondContact OD1-CA 3.48Å; D1018-R1020 WeakPolarHBondContact OD1-CB 3.42Å; D1018-R1020 WeakPolarHBondContact OD1-CG 3.2Å; D1018-R1020 IonicContact OD1-CZ 2.89Å; D1018-R1020 PolarHBondContact OD1-N 2.97Å; D1018-R1020 IonicContact OD1-NE 2.62Å; D1018-R1020 PolarHBondContact OD1-NE 2.83Å; D1018-R1020 IonicContact OD2-CZ 2.8Å; D1018-R1020 VanDerWaalsContact OD2-CZ 3.28Å; D1018-R1020 IonicContact OD2-NE 2.77Å; D1018-R1020 PolarHBondContact OD2-NE 2.83Å; D1018-R1020 VanDerWaalsContact OD2-NE 3.07Å; D1018-R1020 IonicContact OD2-NH2 3.64Å; D1018-R1020 PolarHBondContact OD2-NH2 2.78Å; D1018-F1021 HydrophobicContact CB-CB 4.48Å; D1018-F1021 HydrophobicContact CB-CD2 3.89Å; D1018-F1021 PolarHBondContact O-N 2.86Å; D1018-F1021 WeakPolarHBondContact OD2-CD2 3.41Å; D1018-R1022 PolarHBondContact O-N 2.87Å
1019E72.9Confident75Confident113 Ų11371.2 Ų71.253%0.52833%0.327SS..Hα-helixtrans-43.2-34.5171.7-70.3-122.291.900114.4E1017 R1022 L1023E1017-E1019 PolarHBondContact O-N 3.06Å; E1019-R1022 WeakPolarHBondContact O-CB 3.49Å; E1019-R1022 PolarHBondContact O-N 2.88Å; E1019-R1022 IonicContact OE1-CZ 3.62Å; E1019-R1022 IonicContact OE1-NE 2.62Å; E1019-R1022 IonicContact OE1-NH2 2.75Å; E1019-R1022 PolarHBondContact OE1-NH2 2.88Å; E1019-L1023 WeakPolarHBondContact O-CB 3.4Å; E1019-L1023 VanDerWaalsContact O-CG 3.27Å; E1019-L1023 WeakPolarHBondContact O-CG 3.44Å; E1019-L1023 PolarHBondContact O-N 2.96Å
1020R74.6Confident75.1Confident103 Ų10369.2 Ų69.239%0.38932%0.322SS..Hα-helixtrans-74.8-38.7-174.6-44.6169.7-62.7166.19110.3D1018 L1024 P1085 N1086D1018-R1020 PolarHBondContact O-N 3.42Å; D1018-R1020 WeakPolarHBondContact OD1-CA 3.48Å; D1018-R1020 WeakPolarHBondContact OD1-CB 3.42Å; D1018-R1020 WeakPolarHBondContact OD1-CG 3.2Å; D1018-R1020 IonicContact OD1-CZ 2.89Å; D1018-R1020 PolarHBondContact OD1-N 2.97Å; D1018-R1020 IonicContact OD1-NE 2.62Å; D1018-R1020 PolarHBondContact OD1-NE 2.83Å; D1018-R1020 IonicContact OD2-CZ 2.8Å; D1018-R1020 VanDerWaalsContact OD2-CZ 3.28Å; D1018-R1020 IonicContact OD2-NE 2.77Å; D1018-R1020 PolarHBondContact OD2-NE 2.83Å; D1018-R1020 VanDerWaalsContact OD2-NE 3.07Å; D1018-R1020 IonicContact OD2-NH2 3.64Å; D1018-R1020 PolarHBondContact OD2-NH2 2.78Å; R1020-L1024 WeakPolarHBondContact O-CB 3.47Å; R1020-L1024 PolarHBondContact O-N 3.38Å; R1020-P1085 VanDerWaalsContact C-CG 3.5Å; R1020-P1085 HydrophobicContact CB-CB 3.66Å; R1020-P1085 HydrophobicContact CB-CG 3.43Å; R1020-P1085 VanDerWaalsContact CB-CG 3.43Å; R1020-N1086 PolarHBondContact NH2-O 3.13Å
1021F77.8Confident74.6Confident0 Ų065.1 Ų65.10%030%0.303CS..Hα-helixtrans-72.7-36.9171-75.7-68.2000111.9L996 W1014 V1015 D1018 L1023 L1024 L1025 P1085 L1087L996-F1021 HydrophobicContact CD1-CD1 4.28Å; L996-F1021 HydrophobicContact CD1-CE1 4.43Å; L996-F1021 HydrophobicContact CD2-CD1 3.9Å; L996-F1021 HydrophobicContact CD2-CE1 4.06Å; W1014-F1021 HydrophobicContact CZ3-CD2 4.44Å; W1014-F1021 HydrophobicContact CZ3-CE2 4.49Å; V1015-F1021 HydrophobicContact CG1-CB 4.12Å; D1018-F1021 HydrophobicContact CB-CB 4.48Å; D1018-F1021 HydrophobicContact CB-CD2 3.89Å; D1018-F1021 PolarHBondContact O-N 2.86Å; D1018-F1021 WeakPolarHBondContact OD2-CD2 3.41Å; F1021-L1023 VanDerWaalsContact C-N 3.3Å; F1021-L1023 PolarHBondContact O-N 3.17Å; F1021-L1024 HydrophobicContact CD1-CD2 4.05Å; F1021-L1024 HydrophobicContact CE1-CD2 4.35Å; F1021-L1024 PolarHBondContact O-N 3.37Å; F1021-L1025 WeakPolarHBondContact O-CB 3.41Å; F1021-L1025 WeakPolarHBondContact O-CG 3.24Å; F1021-L1025 PolarHBondContact O-N 3Å; F1021-P1085 HydrophobicContact CD1-CG 4.06Å; F1021-P1085 HydrophobicContact CD2-CB 4.41Å; F1021-P1085 HydrophobicContact CD2-CG 4.38Å; F1021-P1085 HydrophobicContact CE1-CB 4.32Å; F1021-P1085 HydrophobicContact CE1-CG 4.03Å; F1021-P1085 HydrophobicContact CE2-CB 4.01Å; F1021-P1085 HydrophobicContact CE2-CG 4.34Å; F1021-P1085 HydrophobicContact CG-CG 4.22Å; F1021-P1085 HydrophobicContact CZ-CB 3.95Å; F1021-P1085 HydrophobicContact CZ-CG 4.17Å; F1021-P1085 WeakPolarHBondContact CZ-O 3.39Å; F1021-L1087 HydrophobicContact CE1-CD2 4.06Å; F1021-L1087 HydrophobicContact CE2-CD2 4.27Å; F1021-L1087 HydrophobicContact CZ-CD2 3.66Å; F1021-L1087 HydrophobicContact CZ-CG 4.11Å
1022R75Confident73.8Confident137 Ų13767 Ų6752%0.51732%0.316SS..Hα-helixtrans-57-42.3171-167.4176.676.4108.1-2.9112D1018 E1019 K1026D1018-R1022 PolarHBondContact O-N 2.87Å; E1019-R1022 WeakPolarHBondContact O-CB 3.49Å; E1019-R1022 PolarHBondContact O-N 2.88Å; E1019-R1022 IonicContact OE1-CZ 3.62Å; E1019-R1022 IonicContact OE1-NE 2.62Å; E1019-R1022 IonicContact OE1-NH2 2.75Å; E1019-R1022 PolarHBondContact OE1-NH2 2.88Å; R1022-K1026 WeakPolarHBondContact O-CB 3.21Å; R1022-K1026 PolarHBondContact O-N 3.23Å; R1022-K1026 VanDerWaalsContact O-N 3.09Å
1023L77Confident72.8Confident104 Ų10475.7 Ų75.755%0.54535%0.347SS..Hα-helixtrans-69-44.5174.2-78.2164.9000112.6E1019 F1021 L1025 K1026 Q1027E1019-L1023 WeakPolarHBondContact O-CB 3.4Å; E1019-L1023 VanDerWaalsContact O-CG 3.27Å; E1019-L1023 WeakPolarHBondContact O-CG 3.44Å; E1019-L1023 PolarHBondContact O-N 2.96Å; F1021-L1023 VanDerWaalsContact C-N 3.3Å; F1021-L1023 PolarHBondContact O-N 3.17Å; L1023-L1025 VanDerWaalsContact C-N 3.35Å; L1023-L1025 PolarHBondContact O-N 2.83Å; L1023-K1026 CarbonylContact O-C 3.59Å; L1023-K1026 WeakPolarHBondContact O-CB 3.29Å; L1023-K1026 PolarHBondContact O-N 2.91Å; L1023-K1026 VanDerWaalsContact O-N 3.14Å; L1023-Q1027 PolarHBondContact O-N 3.18Å
1024L82.5Confident72.1Confident7 Ų781 Ų814%0.03736%0.362CS..Hα-helixtrans-57.7-46.2175.9-177.274.3000111.6M200 L993 L996 R1020 F1021 K1026 Q1027 A1028 I1084M200-L1024 HydrophobicContact CE-CD1 3.91Å; M200-L1024 HydrophobicContact CE-CG 4.4Å; M200-L1024 HydrophobicContact SD-CD1 4.01Å; M200-L1024 HydrophobicContact SD-CG 4.36Å; L993-L1024 HydrophobicContact CD2-CD2 4.22Å; L996-L1024 HydrophobicContact CD2-CD2 3.84Å; R1020-L1024 WeakPolarHBondContact O-CB 3.47Å; R1020-L1024 PolarHBondContact O-N 3.38Å; F1021-L1024 HydrophobicContact CD1-CD2 4.05Å; F1021-L1024 HydrophobicContact CE1-CD2 4.35Å; F1021-L1024 PolarHBondContact O-N 3.37Å; L1024-K1026 VanDerWaalsContact C-N 3.33Å; L1024-K1026 PolarHBondContact O-N 2.98Å; L1024-Q1027 WeakPolarHBondContact O-CB 3.38Å; L1024-Q1027 PolarHBondContact O-N 3.19Å; L1024-A1028 PolarHBondContact O-N 3.02Å; L1024-I1084 HydrophobicContact CD1-CD1 4.5Å; L1024-I1084 HydrophobicContact CD1-CG1 4.11Å; L1024-I1084 HydrophobicContact CD1-CG2 4.24Å; L1024-I1084 HydrophobicContact CD2-CG2 3.87Å
1025L78.9Confident71.5Confident2 Ų282.3 Ų82.31%0.0137%0.371CS..Hα-helixtrans-66.6-33.8176.7-71.6175.6000112.3L203 K207 L1011 V1015 F1021 L1023 Q1027 A1028 E1029L203-L1025 HydrophobicContact CB-CD2 4.27Å; K207-L1025 HydrophobicContact CD-CB 4.22Å; L1011-L1025 HydrophobicContact CD1-CD1 4.41Å; L1011-L1025 HydrophobicContact CD2-CD1 3.95Å; V1015-L1025 HydrophobicContact CG1-CD1 3.68Å; F1021-L1025 WeakPolarHBondContact O-CB 3.41Å; F1021-L1025 WeakPolarHBondContact O-CG 3.24Å; F1021-L1025 PolarHBondContact O-N 3Å; L1023-L1025 VanDerWaalsContact C-N 3.35Å; L1023-L1025 PolarHBondContact O-N 2.83Å; L1025-Q1027 VanDerWaalsContact C-N 3.33Å; L1025-A1028 PolarHBondContact O-N 2.88Å; L1025-E1029 WeakPolarHBondContact O-CG 3.1Å; L1025-E1029 PolarHBondContact O-N 3.49Å
1026K77.9Confident70.8Confident122 Ų12284 Ų8453%0.5338%0.379SS..Hα-helixtrans-69.3-29.9172.5-167.9174.2-176.6176.70112.7R1022 L1023 L1024 E1029 K1030R1022-K1026 WeakPolarHBondContact O-CB 3.21Å; R1022-K1026 PolarHBondContact O-N 3.23Å; R1022-K1026 VanDerWaalsContact O-N 3.09Å; L1023-K1026 CarbonylContact O-C 3.59Å; L1023-K1026 WeakPolarHBondContact O-CB 3.29Å; L1023-K1026 PolarHBondContact O-N 2.91Å; L1023-K1026 VanDerWaalsContact O-N 3.14Å; L1024-K1026 VanDerWaalsContact C-N 3.33Å; L1024-K1026 PolarHBondContact O-N 2.98Å; K1026-E1029 WeakPolarHBondContact CA-OE2 3.45Å; K1026-K1030 WeakPolarHBondContact O-CG 3.43Å; K1026-K1030 PolarHBondContact O-N 3.33Å
1027Q79.4Confident70.5Confident97 Ų9784.8 Ų84.845%0.45339%0.386SS..Hα-helixtrans-74.3-36.8171.2-175.3174.6-4.300111.7M200 L1023 L1024 L1025 K1030 Q1031M200-Q1027 HydrophobicContact CE-CB 4.32Å; M200-Q1027 HydrophobicContact CE-CG 4.24Å; L1023-Q1027 PolarHBondContact O-N 3.18Å; L1024-Q1027 WeakPolarHBondContact O-CB 3.38Å; L1024-Q1027 PolarHBondContact O-N 3.19Å; L1025-Q1027 VanDerWaalsContact C-N 3.33Å; Q1027-K1030 PolarHBondContact O-N 3.09Å; Q1027-Q1031 WeakPolarHBondContact O-CG 3.16Å; Q1027-Q1031 PolarHBondContact O-N 3.48Å; Q1027-Q1031 VanDerWaalsContact O-N 3.08Å
1028A78.9Confident70.1Confident1 Ų183.8 Ų83.81%0.00838%0.382CS..Hα-helixtrans-63.1-42.4173.900000112.4M200 A204 L1024 L1025 K1030 Q1031M200-A1028 HydrophobicContact CB-CB 4.38Å; M200-A1028 HydrophobicContact CE-CB 3.81Å; M200-A1028 HydrophobicContact SD-CB 4.26Å; A204-A1028 HydrophobicContact CB-CB 4.27Å; L1024-A1028 PolarHBondContact O-N 3.02Å; L1025-A1028 PolarHBondContact O-N 2.88Å; A1028-K1030 PolarHBondContact O-N 2.82Å; A1028-Q1031 PolarHBondContact O-N 3.15Å
1029E73.6Confident69.9Low45 Ų4587.9 Ų87.921%0.2140%0.4CS..Hα-helixtrans-58.1-43.9172.1-75.9169.6139.400112.3K207 R211 L1025 K1026 Q1031 T1032K207-E1029 HydrophobicContact CD-CG 4.12Å; K207-E1029 WeakPolarHBondContact CD-OE1 3.33Å; K207-E1029 WeakPolarHBondContact CE-OE1 3.46Å; K207-E1029 IonicContact NZ-OE1 2.62Å; K207-E1029 PolarHBondContact NZ-OE1 3.28Å; K207-E1029 IonicContact NZ-OE2 2.73Å; K207-E1029 PolarHBondContact NZ-OE2 3.2Å; R211-E1029 IonicContact CZ-OE1 2.75Å; R211-E1029 IonicContact NH1-OE1 2.86Å; R211-E1029 PolarHBondContact NH1-OE1 2.95Å; R211-E1029 IonicContact NH2-OE1 3.9Å; R211-E1029 PolarHBondContact NH2-OE1 3.31Å; L1025-E1029 WeakPolarHBondContact O-CG 3.1Å; L1025-E1029 PolarHBondContact O-N 3.49Å; K1026-E1029 WeakPolarHBondContact CA-OE2 3.45Å; E1029-Q1031 VanDerWaalsContact C-N 3.34Å; E1029-Q1031 PolarHBondContact O-N 2.84Å; E1029-T1032 WeakPolarHBondContact O-CB 3.22Å; E1029-T1032 WeakPolarHBondContact O-CG2 3.44Å; E1029-T1032 PolarHBondContact O-N 2.61Å; E1029-T1032 PolarHBondContact O-OG1 2.95Å
1030K69Low69.9Low115 Ų11587 Ų8750%0.539%0.394SS..Hα-helixtrans-64.9-35.1177.9-76.6-174171.5-159.80113.1K1026 Q1027 A1028 T1032 E1035K1026-K1030 WeakPolarHBondContact O-CG 3.43Å; K1026-K1030 PolarHBondContact O-N 3.33Å; Q1027-K1030 PolarHBondContact O-N 3.09Å; A1028-K1030 PolarHBondContact O-N 2.82Å; K1030-T1032 PolarHBondContact O-N 3.41Å; K1030-E1035 VanDerWaalsContact O-CB 3.29Å; K1030-E1035 WeakPolarHBondContact O-CB 3.33Å; K1030-E1035 VanDerWaalsContact O-CD 3.32Å
1031Q63.7Low69.8Low54 Ų5490.6 Ų90.625%0.25241%0.408SS..THydrogen-bonded Turntrans-71.622176.6-71.1-173.9-25.200114.6Q1027 A1028 E1029 Q1036Q1027-Q1031 WeakPolarHBondContact O-CG 3.16Å; Q1027-Q1031 PolarHBondContact O-N 3.48Å; Q1027-Q1031 VanDerWaalsContact O-N 3.08Å; A1028-Q1031 PolarHBondContact O-N 3.15Å; E1029-Q1031 VanDerWaalsContact C-N 3.34Å; E1029-Q1031 PolarHBondContact O-N 2.84Å; Q1031-Q1036 PolarHBondContact O-NE2 3.48Å
1032T61.4Low69.5Low71 Ų7194 Ų9444%0.43643%0.428SS..SBendtrans-67.3166.6170.940.40000112.5E1029 K1030 E1034 E1035 Q1036E1029-T1032 WeakPolarHBondContact O-CB 3.22Å; E1029-T1032 WeakPolarHBondContact O-CG2 3.44Å; E1029-T1032 PolarHBondContact O-N 2.61Å; E1029-T1032 PolarHBondContact O-OG1 2.95Å; K1030-T1032 PolarHBondContact O-N 3.41Å; T1032-E1034 VanDerWaalsContact C-N 3.27Å; T1032-E1034 PolarHBondContact O-N 3.42Å; T1032-E1034 VanDerWaalsContact O-N 3.1Å; T1032-E1035 PolarHBondContact O-N 3.41Å; T1032-Q1036 PolarHBondContact O-N 2.81Å
1033R57.5Low69.4Low196 Ų19691.7 Ų91.774%0.7442%0.423SS*.Hα-helixtrans-58.2-30-163-98.5-178.9172.4170.6-1.9115.4L1037R1033-L1037 WeakPolarHBondContact O-CG 3.36Å; R1033-L1037 PolarHBondContact O-N 2.86Å
1034E54.6Low69.7Low167 Ų16794.1 Ų94.178%0.7843%0.43SS*.Hα-helixtrans-79.6-48.3-175.8-60.3-166.3132.100111.9T1032 Q1036 L1037 Q1038T1032-E1034 VanDerWaalsContact C-N 3.27Å; T1032-E1034 PolarHBondContact O-N 3.42Å; T1032-E1034 VanDerWaalsContact O-N 3.1Å; E1034-Q1036 VanDerWaalsContact C-N 3.27Å; E1034-Q1036 PolarHBondContact O-N 3.15Å; E1034-L1037 PolarHBondContact O-N 2.81Å; E1034-Q1038 PolarHBondContact O-N 3.3Å
1035E59.3Low69Low104 Ų104100 Ų10049%0.48646%0.458SS..Hα-helixtrans-58.8-39.2172.8-69.8-163.3-162.300110.9K1030 T1032 L1037 Q1038 E1039K1030-E1035 VanDerWaalsContact O-CB 3.29Å; K1030-E1035 WeakPolarHBondContact O-CB 3.33Å; K1030-E1035 VanDerWaalsContact O-CD 3.32Å; T1032-E1035 PolarHBondContact O-N 3.41Å; E1035-L1037 VanDerWaalsContact C-N 3.29Å; E1035-L1037 PolarHBondContact O-N 2.94Å; E1035-Q1038 CarbonylContact O-C 3.53Å; E1035-Q1038 WeakPolarHBondContact O-CB 3.47Å; E1035-Q1038 PolarHBondContact O-N 2.94Å; E1035-E1039 WeakPolarHBondContact O-CB 3.25Å; E1035-E1039 PolarHBondContact O-N 3.24Å
1036Q61Low68.1Low35 Ų35106.1 Ų106.116%0.16449%0.489CS..Hα-helixtrans-59.4-34.6174.9-73.5-166.528.600114.1Q1031 T1032 E1034 Q1038 K1040Q1031-Q1036 PolarHBondContact O-NE2 3.48Å; T1032-Q1036 PolarHBondContact O-N 2.81Å; E1034-Q1036 VanDerWaalsContact C-N 3.27Å; E1034-Q1036 PolarHBondContact O-N 3.15Å; Q1036-Q1038 VanDerWaalsContact C-N 3.33Å; Q1036-K1040 VanDerWaalsContact O-CB 3.28Å; Q1036-K1040 WeakPolarHBondContact O-CB 3.47Å; Q1036-K1040 WeakPolarHBondContact O-CD 3.38Å; Q1036-K1040 VanDerWaalsContact O-CG 3.23Å; Q1036-K1040 WeakPolarHBondContact O-CG 3.25Å; Q1036-K1040 PolarHBondContact O-N 2.94Å
1037L65.3Low68Low119 Ų119106.1 Ų106.162%0.62349%0.489SS*.Hα-helixtrans-74.1-28.4177.4-76.1168.7000111.8R1033 E1034 E1035 R1041R1033-L1037 WeakPolarHBondContact O-CG 3.36Å; R1033-L1037 PolarHBondContact O-N 2.86Å; E1034-L1037 PolarHBondContact O-N 2.81Å; E1035-L1037 VanDerWaalsContact C-N 3.29Å; E1035-L1037 PolarHBondContact O-N 2.94Å; L1037-R1041 PolarHBondContact O-N 3.37Å
1038Q58.9Low67.6Low137 Ų137104 Ų10464%0.6449%0.487SS*.Hα-helixtrans-77.1-44.8173.8-168.1154.9-4400111.1E1034 E1035 Q1036 R1041 V1042E1034-Q1038 PolarHBondContact O-N 3.3Å; E1035-Q1038 CarbonylContact O-C 3.53Å; E1035-Q1038 WeakPolarHBondContact O-CB 3.47Å; E1035-Q1038 PolarHBondContact O-N 2.94Å; Q1036-Q1038 VanDerWaalsContact C-N 3.33Å; Q1038-R1041 CarbonylContact O-C 3.59Å; Q1038-R1041 WeakPolarHBondContact O-CA 3.4Å; Q1038-R1041 VanDerWaalsContact O-CB 3.24Å; Q1038-R1041 WeakPolarHBondContact O-CB 3.49Å; Q1038-R1041 PolarHBondContact O-N 3.38Å; Q1038-V1042 WeakPolarHBondContact O-CG2 3.32Å; Q1038-V1042 PolarHBondContact O-N 3.33Å
1039E68.3Low66.8Low117 Ų117106.5 Ų106.555%0.54751%0.508SS..Hα-helixtrans-60.2-46.7174.2-171.2178.3-146.100111.2E1035 R1041 V1042 E1043E1035-E1039 WeakPolarHBondContact O-CB 3.25Å; E1035-E1039 PolarHBondContact O-N 3.24Å; E1039-R1041 PolarHBondContact O-N 2.85Å; E1039-R1041 VanDerWaalsContact O-N 3.1Å; E1039-V1042 CarbonylContact O-C 2.87Å; E1039-V1042 PolarHBondContact O-N 2.93Å; E1039-E1043 WeakPolarHBondContact O-CB 3.18Å; E1039-E1043 PolarHBondContact O-N 3.31Å
1040K73.2Confident65.9Low93 Ų93106.4 Ų106.440%0.40452%0.515SS..Hα-helixtrans-63.8-14.6173.5-73.2162.9-176.3153.80113.8Q1036 K1044Q1036-K1040 VanDerWaalsContact O-CB 3.28Å; Q1036-K1040 WeakPolarHBondContact O-CB 3.47Å; Q1036-K1040 WeakPolarHBondContact O-CD 3.38Å; Q1036-K1040 VanDerWaalsContact O-CG 3.23Å; Q1036-K1040 WeakPolarHBondContact O-CG 3.25Å; Q1036-K1040 PolarHBondContact O-N 2.94Å; K1040-K1044 WeakPolarHBondContact O-CD 3.36Å; K1040-K1044 WeakPolarHBondContact O-CG 3.33Å
1041R73.2Confident65.7Low180 Ų180107.9 Ų107.968%0.67952%0.521SS*.Hα-helixtrans-87.2-42171.3-161.4-176.4-59.5-176.92.3110.8L1037 Q1038 E1039 K1044 M1045L1037-R1041 PolarHBondContact O-N 3.37Å; Q1038-R1041 CarbonylContact O-C 3.59Å; Q1038-R1041 WeakPolarHBondContact O-CA 3.4Å; Q1038-R1041 VanDerWaalsContact O-CB 3.24Å; Q1038-R1041 WeakPolarHBondContact O-CB 3.49Å; Q1038-R1041 PolarHBondContact O-N 3.38Å; E1039-R1041 PolarHBondContact O-N 2.85Å; E1039-R1041 VanDerWaalsContact O-N 3.1Å; R1041-K1044 PolarHBondContact O-N 3.07Å; R1041-M1045 PolarHBondContact O-N 3.03Å; R1041-M1045 VanDerWaalsContact O-N 3.08Å
1042V71.7Confident65.1Low72 Ų72109 Ų10944%0.43653%0.529SS..Hα-helixtrans-64.5-43.5173.2174.40000111.3Q1038 E1039 K1044 M1045 M1046Q1038-V1042 WeakPolarHBondContact O-CG2 3.32Å; Q1038-V1042 PolarHBondContact O-N 3.33Å; E1039-V1042 CarbonylContact O-C 2.87Å; E1039-V1042 PolarHBondContact O-N 2.93Å; V1042-K1044 VanDerWaalsContact C-N 3.32Å; V1042-K1044 PolarHBondContact O-N 2.97Å; V1042-M1045 CarbonylContact O-C 3.53Å; V1042-M1045 WeakPolarHBondContact O-CA 3.48Å; V1042-M1045 WeakPolarHBondContact O-CB 3.47Å; V1042-M1045 PolarHBondContact O-N 3.24Å; V1042-M1046 HydrophobicContact CG1-CG 4.26Å; V1042-M1046 HydrophobicContact CG1-SD 4.27Å; V1042-M1046 WeakPolarHBondContact O-CG 3.43Å; V1042-M1046 PolarHBondContact O-N 2.87Å
1043E72.7Confident64.5Low87 Ų87109.7 Ų109.741%0.40753%0.533SS..Hα-helixtrans-60-40.6177.7-166.9-147161.500111.7E1039 M1046 K1047E1039-E1043 WeakPolarHBondContact O-CB 3.18Å; E1039-E1043 PolarHBondContact O-N 3.31Å; E1043-M1046 PolarHBondContact O-N 2.96Å; E1043-K1047 HydrophobicContact CG-CD 4.41Å; E1043-K1047 WeakPolarHBondContact O-CB 3.44Å; E1043-K1047 WeakPolarHBondContact O-CG 3.49Å; E1043-K1047 PolarHBondContact O-N 2.9Å; E1043-K1047 VanDerWaalsContact OE1-CE 3.29Å; E1043-K1047 WeakPolarHBondContact OE1-CE 3.4Å; E1043-K1047 IonicContact OE1-NZ 3.88Å; E1043-K1047 PolarHBondContact OE1-NZ 3.07Å
1044K82.9Confident64.1Low156 Ų156107.1 Ų107.168%0.67853%0.529SS*.Hα-helixtrans-65.2-39.8172.6-74.7175-177.31770112K1040 R1041 V1042 K1047 A1048K1040-K1044 WeakPolarHBondContact O-CD 3.36Å; K1040-K1044 WeakPolarHBondContact O-CG 3.33Å; R1041-K1044 PolarHBondContact O-N 3.07Å; V1042-K1044 VanDerWaalsContact C-N 3.32Å; V1042-K1044 PolarHBondContact O-N 2.97Å; K1044-K1047 PolarHBondContact O-N 2.83Å; K1044-A1048 PolarHBondContact O-N 3.14Å
1045M68.2Low64Low130 Ų130106.2 Ų106.264%0.6452%0.523SS*.Hα-helixtrans-65.4-44.6175.7-167.9-174-63.200111.4R1041 V1042 A1048 A1049R1041-M1045 PolarHBondContact O-N 3.03Å; R1041-M1045 VanDerWaalsContact O-N 3.08Å; V1042-M1045 CarbonylContact O-C 3.53Å; V1042-M1045 WeakPolarHBondContact O-CA 3.48Å; V1042-M1045 WeakPolarHBondContact O-CB 3.47Å; V1042-M1045 PolarHBondContact O-N 3.24Å; M1045-A1048 WeakPolarHBondContact O-CB 3.34Å; M1045-A1048 PolarHBondContact O-N 3.29Å; M1045-A1049 WeakPolarHBondContact O-CB 3.36Å; M1045-A1049 PolarHBondContact O-N 2.91Å
1046M60.4Low63.3Low131 Ų131107 Ų10765%0.64553%0.529SS*.Hα-helixtrans-64.2-39.6174.2-71.7-171.575.100112V1042 E1043 A1048 A1049 A1050V1042-M1046 HydrophobicContact CG1-CG 4.26Å; V1042-M1046 HydrophobicContact CG1-SD 4.27Å; V1042-M1046 WeakPolarHBondContact O-CG 3.43Å; V1042-M1046 PolarHBondContact O-N 2.87Å; E1043-M1046 PolarHBondContact O-N 2.96Å; M1046-A1048 VanDerWaalsContact C-N 3.29Å; M1046-A1048 PolarHBondContact O-N 2.91Å; M1046-A1049 PolarHBondContact O-N 2.89Å; M1046-A1050 WeakPolarHBondContact O-CB 3.45Å; M1046-A1050 PolarHBondContact O-N 2.86Å
1047K75.1Confident62.4Low122 Ų122110.9 Ų110.953%0.5354%0.542SS..Hα-helixtrans-69.3-23.5174.5-78175.7171.3174.20113.4E1043 K1044 K1051E1043-K1047 HydrophobicContact CG-CD 4.41Å; E1043-K1047 WeakPolarHBondContact O-CB 3.44Å; E1043-K1047 WeakPolarHBondContact O-CG 3.49Å; E1043-K1047 PolarHBondContact O-N 2.9Å; E1043-K1047 VanDerWaalsContact OE1-CE 3.29Å; E1043-K1047 WeakPolarHBondContact OE1-CE 3.4Å; E1043-K1047 IonicContact OE1-NZ 3.88Å; E1043-K1047 PolarHBondContact OE1-NZ 3.07Å; K1044-K1047 PolarHBondContact O-N 2.83Å; K1047-K1051 VanDerWaalsContact O-CG 3.27Å; K1047-K1051 WeakPolarHBondContact O-CG 3.46Å
1048A71.7Confident61.3Low51 Ų51107.4 Ų107.442%0.42154%0.535SS..Hα-helixtrans-77.3-53168.700000111.1K1044 M1045 M1046 A1050 K1051 D1052K1044-A1048 PolarHBondContact O-N 3.14Å; M1045-A1048 WeakPolarHBondContact O-CB 3.34Å; M1045-A1048 PolarHBondContact O-N 3.29Å; M1046-A1048 VanDerWaalsContact C-N 3.29Å; M1046-A1048 PolarHBondContact O-N 2.91Å; A1048-A1050 VanDerWaalsContact C-N 3.31Å; A1048-A1050 PolarHBondContact O-N 3.49Å; A1048-K1051 WeakPolarHBondContact O-CA 3.42Å; A1048-K1051 WeakPolarHBondContact O-CB 3.23Å; A1048-K1051 PolarHBondContact O-N 2.89Å; A1048-D1052 PolarHBondContact O-N 2.92Å
1049A60.4Low60.5Low54 Ų54109.2 Ų109.245%0.44654%0.543SS..Hα-helixtrans-57.3-41.9178.100000112.2M1045 M1046 K1051 D1052 V1053M1045-A1049 WeakPolarHBondContact O-CB 3.36Å; M1045-A1049 PolarHBondContact O-N 2.91Å; M1046-A1049 PolarHBondContact O-N 2.89Å; A1049-K1051 VanDerWaalsContact C-N 3.33Å; A1049-K1051 PolarHBondContact O-N 2.83Å; A1049-D1052 PolarHBondContact O-N 3.1Å; A1049-V1053 WeakPolarHBondContact O-CB 3.46Å; A1049-V1053 VanDerWaalsContact O-CG2 3.31Å; A1049-V1053 WeakPolarHBondContact O-CG2 3.41Å; A1049-V1053 PolarHBondContact O-N 3.04Å
1050A56.3Low59.2Low43 Ų43108.6 Ų108.636%0.35555%0.552SS.*Hα-helixtrans-59.9-41.7173.800000111.8M1046 A1048 V1053 H1054M1046-A1050 WeakPolarHBondContact O-CB 3.45Å; M1046-A1050 PolarHBondContact O-N 2.86Å; A1048-A1050 VanDerWaalsContact C-N 3.31Å; A1048-A1050 PolarHBondContact O-N 3.49Å; A1050-V1053 PolarHBondContact O-N 2.84Å; A1050-H1054 PolarHBondContact O-N 3.31Å; A1050-H1054 PolarHBondContact O-ND1 3.12Å
1051K63.2Low58.2Low147 Ų147105.4 Ų105.464%0.63955%0.545SS*.Hα-helixtrans-66.3-38.8177.6-76.4178.6179.3-164.50112.4K1047 A1048 A1049 K1055K1047-K1051 VanDerWaalsContact O-CG 3.27Å; K1047-K1051 WeakPolarHBondContact O-CG 3.46Å; A1048-K1051 WeakPolarHBondContact O-CA 3.42Å; A1048-K1051 WeakPolarHBondContact O-CB 3.23Å; A1048-K1051 PolarHBondContact O-N 2.89Å; A1049-K1051 VanDerWaalsContact C-N 3.33Å; A1049-K1051 PolarHBondContact O-N 2.83Å; K1051-K1055 VanDerWaalsContact O-CB 3.24Å; K1051-K1055 WeakPolarHBondContact O-CB 3.37Å; K1051-K1055 PolarHBondContact O-N 2.78Å
1052D51.4Low57.2Low78 Ų78101.6 Ų101.642%0.41753%0.533SS..Hα-helixtrans-71.5-35.6173.4-77-49000112.3A1048 A1049 K1055 I1056A1048-D1052 PolarHBondContact O-N 2.92Å; A1049-D1052 PolarHBondContact O-N 3.1Å; D1052-K1055 WeakPolarHBondContact O-CB 3.27Å; D1052-K1055 PolarHBondContact O-N 3.19Å; D1052-K1055 IonicContact OD1-NZ 2.61Å; D1052-K1055 PolarHBondContact OD1-NZ 3.47Å; D1052-I1056 WeakPolarHBondContact O-CD1 3.49Å; D1052-I1056 VanDerWaalsContact O-CG1 3.27Å; D1052-I1056 WeakPolarHBondContact O-CG1 3.43Å; D1052-I1056 PolarHBondContact O-N 3Å
1053V48.4Very low56.1Low85 Ų85105.1 Ų105.152%0.51555%0.545SS..Hα-helixtrans-62.8-43.1171.3168.20000111.8A1049 A1050 K1055 I1056 R1057A1049-V1053 WeakPolarHBondContact O-CB 3.46Å; A1049-V1053 VanDerWaalsContact O-CG2 3.31Å; A1049-V1053 WeakPolarHBondContact O-CG2 3.41Å; A1049-V1053 PolarHBondContact O-N 3.04Å; A1050-V1053 PolarHBondContact O-N 2.84Å; V1053-K1055 VanDerWaalsContact C-N 3.31Å; V1053-K1055 PolarHBondContact O-N 3.11Å; V1053-I1056 PolarHBondContact O-N 3.01Å; V1053-R1057 WeakPolarHBondContact O-CB 3.37Å; V1053-R1057 PolarHBondContact O-N 3.27Å
1054H49.8Very low55.1Low142 Ų142105.6 Ų105.666%0.65755%0.55SS*.Hα-helixtrans-63.2-39175.1-77.265.3000111.6A1050 I1056 G1058A1050-H1054 PolarHBondContact O-N 3.31Å; A1050-H1054 PolarHBondContact O-ND1 3.12Å; H1054-I1056 VanDerWaalsContact C-N 3.3Å; H1054-I1056 PolarHBondContact O-N 3.16Å; H1054-G1058 PolarHBondContact O-N 3.04Å
1055K51.9Low53.8Low148 Ų14899.8 Ų99.864%0.64353%0.529SS*.Hα-helixtrans-68.5-25176.6175.8178.3154.6-152.30113.4K1051 D1052 V1053K1051-K1055 VanDerWaalsContact O-CB 3.24Å; K1051-K1055 WeakPolarHBondContact O-CB 3.37Å; K1051-K1055 PolarHBondContact O-N 2.78Å; D1052-K1055 WeakPolarHBondContact O-CB 3.27Å; D1052-K1055 PolarHBondContact O-N 3.19Å; D1052-K1055 IonicContact OD1-NZ 2.61Å; D1052-K1055 PolarHBondContact OD1-NZ 3.47Å; V1053-K1055 VanDerWaalsContact C-N 3.31Å; V1053-K1055 PolarHBondContact O-N 3.11Å
1056I44.9Very low53.6Low119 Ų11994.7 Ų94.761%0.6150%0.504SS*.Hα-helixtrans-84.1-53.3171.9-67.1162.7000110.6D1052 V1053 H1054 G1058 Q1059D1052-I1056 WeakPolarHBondContact O-CD1 3.49Å; D1052-I1056 VanDerWaalsContact O-CG1 3.27Å; D1052-I1056 WeakPolarHBondContact O-CG1 3.43Å; D1052-I1056 PolarHBondContact O-N 3Å; V1053-I1056 PolarHBondContact O-N 3.01Å; H1054-I1056 VanDerWaalsContact C-N 3.3Å; H1054-I1056 PolarHBondContact O-N 3.16Å; I1056-G1058 PolarHBondContact O-N 2.77Å; I1056-Q1059 PolarHBondContact O-N 3.25Å; I1056-Q1059 VanDerWaalsContact O-N 3.13Å
1057R41.9Very low54.1Low117 Ų11789.5 Ų89.544%0.44248%0.479SS..Hα-helixtrans-58.9-29.5180177.4171.9-81.9-153.5-6.3112.9V1053 Q1059 S1060 G1061 S1065V1053-R1057 WeakPolarHBondContact O-CB 3.37Å; V1053-R1057 PolarHBondContact O-N 3.27Å; R1057-Q1059 PolarHBondContact O-N 3.27Å; R1057-S1060 PolarHBondContact O-N 2.69Å; R1057-S1060 VanDerWaalsContact O-N 3.13Å; R1057-G1061 WeakPolarHBondContact CD-O 3.34Å; R1057-G1061 WeakPolarHBondContact CG-O 3.49Å; R1057-G1061 PolarHBondContact O-N 2.68Å; R1057-S1065 PolarHBondContact NH1-OG 3.26Å
1058G42.3Very low53.8Low46 Ų4688 Ų8847%0.47447%0.474SS..THydrogen-bonded Turntrans-60.3-1.7174.400000116H1054 I1056H1054-G1058 PolarHBondContact O-N 3.04Å; I1056-G1058 PolarHBondContact O-N 2.77Å
1059Q43.3Very low53.9Low176 Ų17688.2 Ų88.282%0.82247%0.47SS*.THydrogen-bonded Turntrans-108.3-9.4175.2-60-171.52.600115I1056 R1057I1056-Q1059 PolarHBondContact O-N 3.25Å; I1056-Q1059 VanDerWaalsContact O-N 3.13Å; R1057-Q1059 PolarHBondContact O-N 3.27Å
1060S40.1Very low54.8Low104 Ų10485.7 Ų85.773%0.72745%0.449SS*.THydrogen-bonded Turntrans-145.9-9.7-172.662.30000118R1057R1057-S1060 PolarHBondContact O-N 2.69Å; R1057-S1060 VanDerWaalsContact O-N 3.13Å
1061G52Low55.9Low25 Ų2585.1 Ų85.126%0.25844%0.438SS..  trans-172.6101.9177.200000115R1057R1057-G1061 WeakPolarHBondContact CD-O 3.34Å; R1057-G1061 WeakPolarHBondContact CG-O 3.49Å; R1057-G1061 PolarHBondContact O-N 2.68Å
1062K51.8Low56.7Low100 Ų10081.7 Ų81.744%0.43542%0.424SS..SBendtrans-101.5-51.1173.7-69.6-175.9176.4-178.40112.7L6 T7 L1064 S1065 E1066L6-K1062 PolarHBondContact O-NZ 2.87Å; T7-K1062 HydrophobicContact CG2-CD 4.39Å; K1062-L1064 PolarHBondContact O-N 2.99Å; K1062-S1065 CarbonylContact O-C 3.48Å; K1062-S1065 VanDerWaalsContact O-CA 3.26Å; K1062-S1065 WeakPolarHBondContact O-CA 3.36Å; K1062-S1065 WeakPolarHBondContact O-CB 3.32Å; K1062-S1065 PolarHBondContact O-N 3.31Å; K1062-E1066 PolarHBondContact O-N 3.31Å
1063E49.3Very low58.3Low146 Ų14679.3 Ų79.368%0.68241%0.41SS*.Hα-helixtrans-48.5-53.5-177.1-166.3167.8-135.900113S1065 E1066 V1067E1063-S1065 PolarHBondContact O-N 3.47Å; E1063-E1066 PolarHBondContact O-N 2.84Å; E1063-E1066 VanDerWaalsContact O-N 3.08Å; E1063-V1067 PolarHBondContact O-N 2.86Å
1064L51.4Low60Low97 Ų9775.3 Ų75.351%0.50839%0.386SS..Hα-helixtrans-57.3-30.8173.3-66.6174.4000113.8A283 K1062 Q1068A283-L1064 HydrophobicContact CB-CD1 3.62Å; A283-L1064 HydrophobicContact CB-CD2 3.98Å; A283-L1064 HydrophobicContact CB-CG 4.46Å; K1062-L1064 PolarHBondContact O-N 2.99Å; L1064-Q1068 WeakPolarHBondContact O-CB 3.43Å; L1064-Q1068 PolarHBondContact O-N 3.36Å; L1064-Q1068 VanDerWaalsContact O-N 3.1Å
1065S56.2Low61.6Low34 Ų3468.5 Ų68.524%0.23835%0.354CS..Hα-helixtrans-77.3-34.6178.3-154.50000111.8R1057 K1062 E1063 T1069R1057-S1065 PolarHBondContact NH1-OG 3.26Å; K1062-S1065 CarbonylContact O-C 3.48Å; K1062-S1065 VanDerWaalsContact O-CA 3.26Å; K1062-S1065 WeakPolarHBondContact O-CA 3.36Å; K1062-S1065 WeakPolarHBondContact O-CB 3.32Å; K1062-S1065 PolarHBondContact O-N 3.31Å; E1063-S1065 PolarHBondContact O-N 3.47Å; S1065-T1069 WeakPolarHBondContact O-CG2 3.49Å; S1065-T1069 PolarHBondContact O-N 2.79Å; S1065-T1069 PolarHBondContact O-OG1 3.17Å
1066E64.5Low63.1Low24 Ų2464.3 Ų64.311%0.11234%0.336CS..Hα-helixtrans-68.5-49.4176-71.9164.6-123.900109.8T7 W49 K1062 E1063 Q1068 T1069 F1070T7-E1066 WeakPolarHBondContact CB-OE2 3.36Å; T7-E1066 VanDerWaalsContact CG2-OE1 3.23Å; T7-E1066 WeakPolarHBondContact CG2-OE1 3.41Å; W49-E1066 HydrophobicContact CH2-CB 4.41Å; W49-E1066 HydrophobicContact CZ2-CB 4.33Å; K1062-E1066 PolarHBondContact O-N 3.31Å; E1063-E1066 PolarHBondContact O-N 2.84Å; E1063-E1066 VanDerWaalsContact O-N 3.08Å; E1066-Q1068 VanDerWaalsContact C-N 3.34Å; E1066-Q1068 PolarHBondContact O-N 3.01Å; E1066-T1069 PolarHBondContact O-N 3.49Å; E1066-T1069 VanDerWaalsContact O-N 3.16Å; E1066-T1069 PolarHBondContact O-OG1 3.06Å; E1066-F1070 PolarHBondContact O-N 2.67Å
1067V69.4Low65Low21 Ų2158.7 Ų58.713%0.12731%0.307CS..Hα-helixtrans-50.8-51.1170.1171.90000111.2W49 M56 E1063 T1069 F1070 R1071W49-V1067 HydrophobicContact CH2-CG2 3.65Å; W49-V1067 HydrophobicContact CZ3-CG2 3.77Å; M56-V1067 HydrophobicContact CE-CG1 4.3Å; M56-V1067 HydrophobicContact CE-CG2 4.4Å; M56-V1067 HydrophobicContact SD-CG1 3.81Å; E1063-V1067 PolarHBondContact O-N 2.86Å; V1067-T1069 PolarHBondContact O-N 3.04Å; V1067-F1070 WeakPolarHBondContact O-CB 3.48Å; V1067-F1070 PolarHBondContact O-N 3.31Å; V1067-R1071 WeakPolarHBondContact O-CG 3.38Å; V1067-R1071 PolarHBondContact O-N 3.49Å
1068Q70.3Confident66.9Low90 Ų9053.6 Ų53.642%0.42129%0.289SS..Hα-helixtrans-59.1-45.5179.8-175.2-179.7-10.900111.9L1064 E1066 F1070 R1071 E1072L1064-Q1068 WeakPolarHBondContact O-CB 3.43Å; L1064-Q1068 PolarHBondContact O-N 3.36Å; L1064-Q1068 VanDerWaalsContact O-N 3.1Å; E1066-Q1068 VanDerWaalsContact C-N 3.34Å; E1066-Q1068 PolarHBondContact O-N 3.01Å; Q1068-F1070 VanDerWaalsContact C-N 3.35Å; Q1068-F1070 PolarHBondContact O-N 3.02Å; Q1068-R1071 PolarHBondContact O-N 2.9Å; Q1068-E1072 WeakPolarHBondContact CG-OE1 3.29Å; Q1068-E1072 PolarHBondContact NE2-OE1 3.5Å; Q1068-E1072 WeakPolarHBondContact O-CG 3.43Å; Q1068-E1072 PolarHBondContact O-N 2.68Å
1069T72.7Confident68.7Low57 Ų5755.4 Ų55.435%0.3528%0.282SS..Hα-helixtrans-64.6-37.2178.756.40000113S1065 E1066 V1067 E1072 K1073S1065-T1069 WeakPolarHBondContact O-CG2 3.49Å; S1065-T1069 PolarHBondContact O-N 2.79Å; S1065-T1069 PolarHBondContact O-OG1 3.17Å; E1066-T1069 PolarHBondContact O-N 3.49Å; E1066-T1069 VanDerWaalsContact O-N 3.16Å; E1066-T1069 PolarHBondContact O-OG1 3.06Å; V1067-T1069 PolarHBondContact O-N 3.04Å; T1069-E1072 PolarHBondContact O-N 2.65Å; T1069-K1073 WeakPolarHBondContact O-CG 3.15Å; T1069-K1073 PolarHBondContact O-N 3.06Å
1070F78.6Confident69.7Low1 Ų147.8 Ų47.80%0.00425%0.249CC..Hα-helixtrans-60.6-49.1175.6-179.9-98.1000111.4Q53 M56 L970 L974 E1066 V1067 Q1068 E1072 K1073 I1074Q53-F1070 HydrophobicContact CB-CE1 4.1Å; Q53-F1070 HydrophobicContact CB-CE2 3.82Å; Q53-F1070 HydrophobicContact CB-CZ 3.55Å; Q53-F1070 HydrophobicContact CG-CD2 4.15Å; Q53-F1070 HydrophobicContact CG-CE1 4.35Å; Q53-F1070 HydrophobicContact CG-CE2 3.84Å; Q53-F1070 HydrophobicContact CG-CZ 3.97Å; Q53-F1070 WeakPolarHBondContact O-CE1 3.35Å; Q53-F1070 WeakPolarHBondContact O-CZ 3.41Å; M56-F1070 HydrophobicContact CB-CD1 4.39Å; M56-F1070 HydrophobicContact CB-CE1 3.89Å; M56-F1070 HydrophobicContact CE-CD1 3.77Å; M56-F1070 HydrophobicContact CE-CE1 4.07Å; M56-F1070 HydrophobicContact SD-CD1 4.31Å; L970-F1070 HydrophobicContact CD2-CE2 4.18Å; L970-F1070 HydrophobicContact CD2-CZ 3.88Å; L970-F1070 HydrophobicContact CG-CE2 4.02Å; L970-F1070 HydrophobicContact CG-CZ 4.17Å; L974-F1070 HydrophobicContact CD1-CD2 3.99Å; L974-F1070 HydrophobicContact CD1-CE2 3.39Å; L974-F1070 HydrophobicContact CD1-CZ 3.91Å; E1066-F1070 PolarHBondContact O-N 2.67Å; V1067-F1070 WeakPolarHBondContact O-CB 3.48Å; V1067-F1070 PolarHBondContact O-N 3.31Å; Q1068-F1070 VanDerWaalsContact C-N 3.35Å; Q1068-F1070 PolarHBondContact O-N 3.02Å; F1070-E1072 VanDerWaalsContact C-N 3.31Å; F1070-E1072 PolarHBondContact O-N 3.39Å; F1070-K1073 WeakPolarHBondContact O-CB 3.33Å; F1070-K1073 PolarHBondContact O-N 3.01Å; F1070-I1074 HydrophobicContact CD1-CD1 3.86Å; F1070-I1074 HydrophobicContact CE1-CD1 3.36Å; F1070-I1074 HydrophobicContact CE2-CD1 4.46Å; F1070-I1074 HydrophobicContact CZ-CD1 3.71Å; F1070-I1074 PolarHBondContact O-N 3.07Å
1071R79.5Confident70.8Confident30 Ų3051.7 Ų51.711%0.11325%0.253CS..Hα-helixtrans-62.6-36.4176.2-60.5-169.2176.3-167.50.1112.7M56 S287 A289 W290 P291 V1067 Q1068 A1075M56-R1071 HydrophobicContact SD-CG 4.11Å; S287-R1071 PolarHBondContact O-NH1 3.27Å; S287-R1071 PolarHBondContact O-NH2 3.31Å; A289-R1071 PolarHBondContact O-NH1 3.49Å; W290-R1071 HydrophobicContact CE3-CB 4Å; W290-R1071 HydrophobicContact CE3-CG 3.98Å; W290-R1071 HydrophobicContact CH2-CG 3.93Å; W290-R1071 HydrophobicContact CZ3-CB 3.67Å; W290-R1071 HydrophobicContact CZ3-CG 3.36Å; P291-R1071 HydrophobicContact CG-CB 4.12Å; V1067-R1071 WeakPolarHBondContact O-CG 3.38Å; V1067-R1071 PolarHBondContact O-N 3.49Å; Q1068-R1071 PolarHBondContact O-N 2.9Å; R1071-A1075 WeakPolarHBondContact O-CB 3.47Å; R1071-A1075 PolarHBondContact O-N 2.97Å
1072E81.3Confident71.3Confident76 Ų7652.9 Ų52.936%0.35526%0.255SS..Hα-helixtrans-69.9-33.8176.5-75.7179.2-162.500113.4P291 Q1068 T1069 F1070 F1076P291-E1072 HydrophobicContact CB-CG 4Å; P291-E1072 HydrophobicContact CG-CG 4.45Å; Q1068-E1072 WeakPolarHBondContact CG-OE1 3.29Å; Q1068-E1072 PolarHBondContact NE2-OE1 3.5Å; Q1068-E1072 WeakPolarHBondContact O-CG 3.43Å; Q1068-E1072 PolarHBondContact O-N 2.68Å; T1069-E1072 PolarHBondContact O-N 2.65Å; F1070-E1072 VanDerWaalsContact C-N 3.31Å; F1070-E1072 PolarHBondContact O-N 3.39Å; E1072-F1076 PolarHBondContact O-N 3.13Å
1073K84.2Confident71.6Confident28 Ų2851.1 Ų51.112%0.12226%0.255CS..Hα-helixtrans-61.7-50.8171.1-70.1172.6-164.9-176.70111.1D971 D975 V978 T1069 F1070 A1075 F1076D971-K1073 IonicContact OD1-NZ 2.84Å; D971-K1073 PolarHBondContact OD1-NZ 3.21Å; D975-K1073 VanDerWaalsContact CG-NZ 3.33Å; D975-K1073 WeakPolarHBondContact OD1-CD 3.28Å; D975-K1073 WeakPolarHBondContact OD1-CE 3.3Å; D975-K1073 IonicContact OD1-NZ 2.73Å; D975-K1073 WeakPolarHBondContact OD2-CE 3.48Å; D975-K1073 IonicContact OD2-NZ 2.6Å; D975-K1073 PolarHBondContact OD2-NZ 3.49Å; V978-K1073 HydrophobicContact CG2-CB 4.23Å; T1069-K1073 WeakPolarHBondContact O-CG 3.15Å; T1069-K1073 PolarHBondContact O-N 3.06Å; F1070-K1073 WeakPolarHBondContact O-CB 3.33Å; F1070-K1073 PolarHBondContact O-N 3.01Å; K1073-A1075 PolarHBondContact O-N 3.07Å; K1073-F1076 WeakPolarHBondContact O-CB 3.42Å; K1073-F1076 PolarHBondContact O-N 3.19Å
1074I83.6Confident72.3Confident0 Ų044.6 Ų44.60%023%0.225CC..Hα-helixtrans-57.4-48.9179.2-71.6172.4000110.3L57 Y60 L156 L974 F1070 F1076 L1077L57-I1074 HydrophobicContact CB-CD1 4.44Å; L57-I1074 HydrophobicContact CD1-CD1 3.97Å; L57-I1074 HydrophobicContact CD1-CG1 4.39Å; Y60-I1074 HydrophobicContact CD1-CG2 3.15Å; Y60-I1074 HydrophobicContact CD2-CG2 3.92Å; Y60-I1074 HydrophobicContact CE1-CG2 3.48Å; Y60-I1074 VanDerWaalsContact CE1-CG2 3.48Å; Y60-I1074 HydrophobicContact CE2-CG2 4.2Å; Y60-I1074 HydrophobicContact CG-CG2 3.39Å; L156-I1074 HydrophobicContact CD1-CG2 3.93Å; L156-I1074 HydrophobicContact CD2-CB 4.34Å; L156-I1074 HydrophobicContact CD2-CG1 4.16Å; L156-I1074 HydrophobicContact CD2-CG2 3.95Å; L974-I1074 HydrophobicContact CD1-CD1 4.31Å; L974-I1074 HydrophobicContact CD1-CG1 4Å; L974-I1074 HydrophobicContact CD2-CG1 3.77Å; F1070-I1074 HydrophobicContact CD1-CD1 3.86Å; F1070-I1074 HydrophobicContact CE1-CD1 3.36Å; F1070-I1074 HydrophobicContact CE2-CD1 4.46Å; F1070-I1074 HydrophobicContact CZ-CD1 3.71Å; F1070-I1074 PolarHBondContact O-N 3.07Å; I1074-F1076 VanDerWaalsContact C-N 3.28Å; I1074-F1076 PolarHBondContact O-N 2.92Å; I1074-L1077 PolarHBondContact O-N 3.46Å
1075A83.6Confident72.8Confident0 Ų040.7 Ų40.70%021%0.206CC..Hα-helixtrans-67.8-20.3177.300000114.2P291 R1071 K1073 T1078 R1079P291-A1075 WeakPolarHBondContact O-CB 3.33Å; R1071-A1075 WeakPolarHBondContact O-CB 3.47Å; R1071-A1075 PolarHBondContact O-N 2.97Å; K1073-A1075 PolarHBondContact O-N 3.07Å; A1075-T1078 PolarHBondContact O-OG1 3.04Å; A1075-R1079 WeakPolarHBondContact O-CB 3.26Å; A1075-R1079 VanDerWaalsContact O-CD 3.24Å; A1075-R1079 WeakPolarHBondContact O-CD 3.47Å; A1075-R1079 WeakPolarHBondContact O-CG 3.45Å; A1075-R1079 PolarHBondContact O-N 3.17Å
1076F84.9Confident73.2Confident59 Ų5940.5 Ų40.526%0.25920%0.202SC..Hα-helixtrans-68-35.7175.8176.5-90.6000112.7V978 T981 R982 R985 E1072 K1073 I1074V978-F1076 HydrophobicContact CB-CD1 4.31Å; V978-F1076 HydrophobicContact CG1-CD1 3.78Å; V978-F1076 HydrophobicContact CG1-CE1 4.08Å; V978-F1076 HydrophobicContact CG1-CG 4.42Å; V978-F1076 HydrophobicContact CG2-CD1 4.1Å; T981-F1076 HydrophobicContact CG2-CE1 4.24Å; R982-F1076 HydrophobicContact CB-CE1 4.25Å; R982-F1076 HydrophobicContact CB-CZ 4.03Å; R982-F1076 HydrophobicContact CG-CZ 4.46Å; R985-F1076 PolarHBondContact NH1-O 3.41Å; R985-F1076 PolarHBondContact NH2-O 3.4Å; E1072-F1076 PolarHBondContact O-N 3.13Å; K1073-F1076 WeakPolarHBondContact O-CB 3.42Å; K1073-F1076 PolarHBondContact O-N 3.19Å; I1074-F1076 VanDerWaalsContact C-N 3.28Å; I1074-F1076 PolarHBondContact O-N 2.92Å
1077L84.3Confident73Confident1 Ų141.2 Ų41.21%0.00521%0.206CC..Hα-helixtrans-63.9-46.2-178.9-67.7172.4000111T155 L156 I159 L974 Q977 V978 T981 R985 I1074T155-L1077 HydrophobicContact CG2-CD1 4.39Å; L156-L1077 HydrophobicContact CD2-CD1 3.75Å; L156-L1077 HydrophobicContact CG-CD1 4.09Å; I159-L1077 HydrophobicContact CD1-CD1 4.14Å; L974-L1077 HydrophobicContact CD2-CD1 4.15Å; Q977-L1077 HydrophobicContact CB-CD2 4.4Å; V978-L1077 HydrophobicContact CG2-CD1 4.37Å; V978-L1077 HydrophobicContact CG2-CD2 3.94Å; V978-L1077 HydrophobicContact CG2-CG 3.93Å; T981-L1077 HydrophobicContact CG2-CD2 4.38Å; T981-L1077 WeakPolarHBondContact OG1-CD2 3.43Å; R985-L1077 PolarHBondContact NH2-O 3.14Å; I1074-L1077 PolarHBondContact O-N 3.46Å
1078T81.4Confident72.2Confident10 Ų1043 Ų436%0.06122%0.218CC..Hα-helixtrans-79.1-2117957.20000114.6Y60 K149 L156 A1075 A1080Y60-T1078 HydrophobicContact CE1-CG2 4.01Å; Y60-T1078 PolarHBondContact OH-OG1 3.38Å; K149-T1078 VanDerWaalsContact CG-O 3.22Å; K149-T1078 WeakPolarHBondContact CG-O 3.18Å; L156-T1078 HydrophobicContact CD1-CG2 3.83Å; A1075-T1078 PolarHBondContact O-OG1 3.04Å; T1078-A1080 PolarHBondContact O-N 3.22Å
1079R79.4Confident70.9Confident84 Ų8442 Ų4232%0.31723%0.226SC..  trans-68.9102.8178.8-81.5166.4-169.9177.210.7112.4P291 G292 R985 A1075 K1081P291-R1079 PolarHBondContact O-NH2 3.48Å; G292-R1079 WeakPolarHBondContact O-CG 3.47Å; G292-R1079 PolarHBondContact O-NE 3.47Å; R985-R1079 PolarHBondContact NH1-O 2.8Å; R985-R1079 PolarHBondContact NH2-O 3.43Å; A1075-R1079 WeakPolarHBondContact O-CB 3.26Å; A1075-R1079 VanDerWaalsContact O-CD 3.24Å; A1075-R1079 WeakPolarHBondContact O-CD 3.47Å; A1075-R1079 WeakPolarHBondContact O-CG 3.45Å; A1075-R1079 PolarHBondContact O-N 3.17Å; R1079-K1081 PolarHBondContact O-N 3.1Å
1080A64.4Low69.3Low16 Ų1647.3 Ų47.313%0.13225%0.252CS..  trans-67.920.8176.400000116.3E145 Y148 K149 T1078 T1082E145-A1080 HydrophobicContact CB-CB 4.32Å; E145-A1080 HydrophobicContact CG-CB 3.84Å; Y148-A1080 HydrophobicContact CD2-CB 4.45Å; K149-A1080 HydrophobicContact CG-CB 4.49Å; T1078-A1080 PolarHBondContact O-N 3.22Å; A1080-T1082 PolarHBondContact O-N 3.37Å
1081K64.3Low67Low187 Ų18754.5 Ų54.581%0.81329%0.29SS*.  trans-77.387.6-177.5-72.1-170.3176.7-176.40112.2R1079R1079-K1081 PolarHBondContact O-N 3.1Å
1082T61.3Low64.6Low49 Ų4960.3 Ų60.330%0.30133%0.329SS..  trans-78.2140.3161.851.50000110.4Y148 A1080Y148-T1082 HydrophobicContact CE2-CG2 4.28Å; A1080-T1082 PolarHBondContact O-N 3.37Å
1083S58.2Low63.8Low63 Ų6359.5 Ų59.544%0.44133%0.328SS..SBendtrans-88.3-5.8-179.468.10000114.1K196 E989K196-S1083 PolarHBondContact NZ-OG 3.42Å; E989-S1083 VanDerWaalsContact CD-OG 3.22Å; E989-S1083 WeakPolarHBondContact OE1-CA 3.35Å; E989-S1083 WeakPolarHBondContact OE1-CB 3.47Å; E989-S1083 PolarHBondContact OE1-N 2.86Å; E989-S1083 PolarHBondContact OE1-OG 2.81Å; E989-S1083 PolarHBondContact OE2-OG 3.39Å
1084I63.9Low62.7Low9 Ų961.2 Ų61.25%0.04634%0.338CS..SBendtrans-125.8137.6-176.7-51-166.4000108.7E989 V992 L993 L1024E989-I1084 HydrophobicContact CB-CD1 3.64Å; E989-I1084 HydrophobicContact CB-CG1 4.12Å; E989-I1084 HydrophobicContact CG-CB 4.08Å; E989-I1084 HydrophobicContact CG-CD1 3.92Å; E989-I1084 HydrophobicContact CG-CG1 3.8Å; V992-I1084 HydrophobicContact CB-CG2 4.34Å; V992-I1084 HydrophobicContact CG1-CG2 3.71Å; L993-I1084 HydrophobicContact CD1-CD1 3.44Å; L993-I1084 VanDerWaalsContact CD1-CD1 3.44Å; L993-I1084 HydrophobicContact CD2-CD1 3.92Å; L993-I1084 HydrophobicContact CG-CD1 3.49Å; L993-I1084 VanDerWaalsContact CG-CD1 3.49Å; L1024-I1084 HydrophobicContact CD1-CD1 4.5Å; L1024-I1084 HydrophobicContact CD1-CG1 4.11Å; L1024-I1084 HydrophobicContact CD1-CG2 4.24Å; L1024-I1084 HydrophobicContact CD2-CG2 3.87Å
1085P62.8Low61.5Low16 Ų1664.6 Ų64.610%0.10436%0.357CS..PPolyproline II helixtrans-77141.2176.84.313.9000109.5V992 R1020 F1021V992-P1085 VanDerWaalsContact CG1-O 3.31Å; V992-P1085 WeakPolarHBondContact CG1-O 3.33Å; R1020-P1085 VanDerWaalsContact C-CG 3.5Å; R1020-P1085 HydrophobicContact CB-CB 3.66Å; R1020-P1085 HydrophobicContact CB-CG 3.43Å; R1020-P1085 VanDerWaalsContact CB-CG 3.43Å; F1021-P1085 HydrophobicContact CD1-CG 4.06Å; F1021-P1085 HydrophobicContact CD2-CB 4.41Å; F1021-P1085 HydrophobicContact CD2-CG 4.38Å; F1021-P1085 HydrophobicContact CE1-CB 4.32Å; F1021-P1085 HydrophobicContact CE1-CG 4.03Å; F1021-P1085 HydrophobicContact CE2-CB 4.01Å; F1021-P1085 HydrophobicContact CE2-CG 4.34Å; F1021-P1085 HydrophobicContact CG-CG 4.22Å; F1021-P1085 HydrophobicContact CZ-CB 3.95Å; F1021-P1085 HydrophobicContact CZ-CG 4.17Å; F1021-P1085 WeakPolarHBondContact CZ-O 3.39Å
1086N63.8Low60.2Low29 Ų2968.4 Ų68.416%0.15538%0.378CS..PPolyproline II helixtrans-71.3144.1168.7-65.1-75.3000109.8Q144 Q988 R1020Q144-N1086 VanDerWaalsContact CD-ND2 3.31Å; Q144-N1086 PolarHBondContact NE2-ND2 3.4Å; Q144-N1086 PolarHBondContact OE1-ND2 3.44Å; Q988-N1086 PolarHBondContact NE2-OD1 3Å; R1020-N1086 PolarHBondContact NH2-O 3.13Å
1087L61.6Low58.7Low39 Ų3968.9 Ų68.920%0.20439%0.386CS..PPolyproline II helixtrans-59.7149.5176.3-68.2164.9000110.2V992 E995 L996 W1014 F1021V992-L1087 HydrophobicContact CG1-CG 4.45Å; E995-L1087 HydrophobicContact CB-CD1 3.74Å; E995-L1087 HydrophobicContact CG-CD1 3.39Å; L996-L1087 HydrophobicContact CB-CD2 4.47Å; L996-L1087 HydrophobicContact CD1-CD2 4.3Å; W1014-L1087 HydrophobicContact CH2-CD2 3.55Å; W1014-L1087 HydrophobicContact CZ3-CD2 3.51Å; F1021-L1087 HydrophobicContact CE1-CD2 4.06Å; F1021-L1087 HydrophobicContact CE2-CD2 4.27Å; F1021-L1087 HydrophobicContact CZ-CD2 3.66Å; F1021-L1087 HydrophobicContact CZ-CG 4.11Å
1088P52.2Low57Low58 Ų5873.5 Ų73.538%0.37741%0.411SS..PPolyproline II helixtrans-59141164.628.5-33.9000109.3W1014W1014-P1088 HydrophobicContact CE3-CG 4.14Å
1089A42.6Very low55.2Low71 Ų7178 Ų7859%0.58744%0.436SS*.PPolyproline II helixtrans-72.9151152.100000107.5D1091A1089-D1091 PolarHBondContact O-N 2.7Å
1090D38.8Very low53.4Low168 Ų16877.5 Ų77.590%0.89845%0.445SS*.SBendtrans-70.214.8-170.9-70.2-53.7000115.1
1091D30.4Very low52.5Low151 Ų15182.7 Ų82.781%0.80747%0.471SS*.  trans-108.865.3-174.9-63.8-52.8000113.6A1089A1089-D1091 PolarHBondContact O-N 2.7Å
1092V29.8Very low51.4Low152 Ų15273.2 Ų73.292%0.92144%0.44SS*.  trans-131.60178.5-178.20000113.9

Retrieved 1,092 of 1,092 residues in 178 ms (Link to these results)

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