A0A087Y7G4_POEFO Loading...

MLLT6, PHD finger containing

AlphaFold DB , UniProt , Accession A0A087Y7G4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,076 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
1M34.7Very low68.6Low244 Ų24483.9 Ų83.9100%1.20245%0.449SS*.  0151.70-63.1169.5-169.400107.8
2R40.2Very low70.2Confident126 Ų12683.2 Ų83.248%0.47546%0.456SS..  trans-76.3123.9179.7-160.7169.6-179.9172-3.2108M4 D26 G27 C30R2-M4 PolarHBondContact O-N 3.39Å; R2-D26 PolarHBondContact NH1-O 2.75Å; R2-G27 PolarHBondContact NH2-O 3.22Å; R2-C30 PolarHBondContact NH2-O 2.67Å
3E40.9Very low71.6Confident190 Ų19083.5 Ų83.589%0.88846%0.457SS*.  trans-67.898.3176.9-72.3-169.1138.300109.6V5E3-V5 PolarHBondContact O-N 3.2Å
4M53.3Low72.8Confident128 Ų12887.3 Ų87.363%0.63147%0.47SS*.  trans-73.7110.1173.9-68.3176.9176.600108.1R2 G6 Y24R2-M4 PolarHBondContact O-N 3.39Å; M4-G6 PolarHBondContact O-N 2.69Å; M4-G6 VanDerWaalsContact O-N 3.16Å; M4-Y24 HydrophobicContact CB-CE1 4.1Å; M4-Y24 HydrophobicContact CG-CD1 4.41Å; M4-Y24 HydrophobicContact CG-CE1 4.2Å; M4-Y24 HydrophobicContact SD-CD1 4.39Å; M4-Y24 HydrophobicContact SD-CE1 4.11Å
5V57.9Low73.9Confident101 Ų10192.3 Ų92.361%0.61248%0.479SS*.  trans-56.2121.4171.5-179.20000107.8E3 G7E3-V5 PolarHBondContact O-N 3.2Å; V5-G7 PolarHBondContact O-N 3.15Å
6G67.9Low74.7Confident60 Ų6089 Ų8962%0.61948%0.475SS*.SBendtrans-67.499-170.400000112.8M4M4-G6 PolarHBondContact O-N 2.69Å; M4-G6 VanDerWaalsContact O-N 3.16Å
7G87.6Confident75.6Confident6 Ų690.7 Ų90.76%0.06247%0.473CS..SBendtrans113.3-179.8169.700000116.1V5 C9 D13V5-G7 PolarHBondContact O-N 3.15Å; G7-C9 PolarHBondContact O-N 2.7Å; G7-D13 CarbonylContact C-O 3.53Å; G7-D13 WeakPolarHBondContact CA-O 3.32Å
8C93.9Very high76.3Confident2 Ų291.4 Ų91.41%0.01449%0.494CS..  trans-74.7123.9-178.5172.40000111.9V10 S12 D13 L22 A33 H35C8-V10 PolarHBondContact O-N 2.71Å; C8-V10 PolarHBondContact SG-N 3.32Å; C8-S12 WeakPolarHBondContact O-CA 3.15Å; C8-S12 PolarHBondContact O-N 2.93Å; C8-D13 PolarHBondContact N-O 3.09Å; C8-L22 HydrophobicContact CB-CD1 3.86Å; C8-A33 WeakPolarHBondContact CA-O 3.38Å; C8-H35 WeakPolarHBondContact CB-CE1 3.38Å; C8-H35 WeakPolarHBondContact CB-ND1 3.38Å
9C93.4Very high77Confident36 Ų3693.9 Ų93.924%0.24350%0.502CS..THydrogen-bonded Turntrans-71.511.5178.572.30000114.9G7 A33 A74 Q155G7-C9 PolarHBondContact O-N 2.7Å; C9-A33 PolarHBondContact N-O 2.9Å; C9-A33 PolarHBondContact SG-O 3.05Å; C9-A33 VanDerWaalsContact SG-O 3.4Å; C9-A74 PolarHBondContact SG-N 2.86Å; C9-Q155 PolarHBondContact O-NE2 2.75Å
10V93.9Very high77.8Confident5 Ų590.9 Ų90.93%0.0349%0.486CS..THydrogen-bonded Turntrans-112.8-61.7177.5-178.50000111.1C8 V34 C38 A74 V86 V87 L90C8-V10 PolarHBondContact O-N 2.71Å; C8-V10 PolarHBondContact SG-N 3.32Å; V10-V34 HydrophobicContact CG2-CG1 4.06Å; V10-C38 HydrophobicContact CB-CB 4.06Å; V10-C38 HydrophobicContact CG1-CB 4.26Å; V10-A74 HydrophobicContact CG2-CB 3.81Å; V10-V86 HydrophobicContact CG1-CG1 4.28Å; V10-V86 HydrophobicContact CG2-CB 4.38Å; V10-V87 HydrophobicContact CG1-CB 4.35Å; V10-V87 WeakPolarHBondContact O-CG2 3.3Å; V10-L90 HydrophobicContact CG1-CD1 3.63Å
11C91.2Very high78.6Confident25 Ų2588.5 Ų88.517%0.16948%0.476CS..THydrogen-bonded Turntrans-85.4-19.1176.765.20000113.7D13C11-D13 PolarHBondContact SG-N 3.31Å; C11-D13 VanDerWaalsContact SG-N 3.45Å; C11-D13 PolarHBondContact SG-OD2 2.89Å
12S87.1Confident81.4Confident75 Ų7578.2 Ų78.252%0.52443%0.425SS..  trans74.313.4-174.1-29.20000115.5C8C8-S12 WeakPolarHBondContact O-CA 3.15Å; C8-S12 PolarHBondContact O-N 2.93Å
13D88.2Confident84Confident88 Ų8872.8 Ų72.847%0.47141%0.406SS..  trans-78.4133171.5-71.5-64.1000112.4G7 C8 C11 R15G7-D13 CarbonylContact C-O 3.53Å; G7-D13 WeakPolarHBondContact CA-O 3.32Å; C8-D13 PolarHBondContact N-O 3.09Å; C11-D13 PolarHBondContact SG-N 3.31Å; C11-D13 VanDerWaalsContact SG-N 3.45Å; C11-D13 PolarHBondContact SG-OD2 2.89Å; D13-R15 VanDerWaalsContact C-N 3.34Å; D13-R15 PolarHBondContact O-N 3.42Å
14E88.6Confident86.6Confident136 Ų13667.9 Ų67.964%0.63638%0.38SS*.SBendtrans-72.7-20.9177.6-61.1174155.400114.1
15R89.6Confident88.6Confident162 Ų16262.1 Ų62.161%0.61135%0.353SS*.  trans-104.5125.2-168.5-83170.5-93.6-83.5-13.1112.3D13 W17 H35D13-R15 VanDerWaalsContact C-N 3.34Å; D13-R15 PolarHBondContact O-N 3.42Å; R15-W17 PolarHBondContact O-NE1 3.43Å; R15-H35 PolarHBondContact O-NE2 2.8Å
16G87.6Confident90.3Very high40 Ų4061.2 Ų61.241%0.41234%0.344SS..  trans-78.8158.8160.300000112
17W89.1Confident91.5Very high118 Ų11858.6 Ų58.645%0.44732%0.318SS..  trans-121164.9179-5087.8000110.2R15 N20 P21R15-W17 PolarHBondContact O-NE1 3.43Å; W17-N20 HydrophobicContact CB-CB 4.26Å; W17-N20 PolarHBondContact N-O 3.01Å; W17-N20 CarbonylContact O-C 3.17Å; W17-N20 PolarHBondContact O-N 2.9Å; W17-P21 VanDerWaalsContact O-CA 3.24Å; W17-P21 WeakPolarHBondContact O-CA 3.43Å; W17-P21 VanDerWaalsContact O-N 3.1Å
18A88.1Confident91.6Very high103 Ų10367.6 Ų67.685%0.85136%0.358SS*.SBendtrans-70.3-38.1-177.900000111.9
19E89.3Confident91.4Very high139 Ų13970.9 Ų70.965%0.6539%0.392SS*.SBendtrans-86.1-8.3175.866.5-89.9-127.200113.8
20N93.6Very high91.3Very high33 Ų3370 Ų7018%0.17639%0.386CS..SBendtrans-152.273-179-174.432.2000109.7W17 H35 Q36 A37W17-N20 HydrophobicContact CB-CB 4.26Å; W17-N20 PolarHBondContact N-O 3.01Å; W17-N20 CarbonylContact O-C 3.17Å; W17-N20 PolarHBondContact O-N 2.9Å; N20-H35 PolarHBondContact O-CD2 3.24Å; N20-H35 WeakPolarHBondContact OD1-CB 3.46Å; N20-Q36 PolarHBondContact OD1-N 3.48Å; N20-A37 WeakPolarHBondContact OD1-CB 3.41Å; N20-A37 PolarHBondContact OD1-N 3.06Å
21P93.9Very high91.2Very high41 Ų4173.3 Ų73.327%0.26641%0.409SS..  trans-69.1154.5-174.428.9-37.1000112.1W17 H35 Q36 V44W17-P21 VanDerWaalsContact O-CA 3.24Å; W17-P21 WeakPolarHBondContact O-CA 3.43Å; W17-P21 VanDerWaalsContact O-N 3.1Å; P21-H35 VanDerWaalsContact O-CA 3.28Å; P21-H35 WeakPolarHBondContact O-CA 3.29Å; P21-Q36 HydrophobicContact CG-CB 4.37Å; P21-Q36 PolarHBondContact O-N 2.65Å; P21-V44 HydrophobicContact CG-CG2 3.93Å
22L94.6Very high91.3Very high28 Ų2872.3 Ų72.315%0.14740%0.402CS..EExtended strand (participates in β ladder)trans-86.4112.1171.6-178.561.9000108.9C8 Y24 A33C8-L22 HydrophobicContact CB-CD1 3.86Å; L22-Y24 HydrophobicContact CD2-CE2 4.34Å; L22-Y24 WeakPolarHBondContact CD2-OH 3.29Å; L22-Y24 HydrophobicContact CG-CE2 4.15Å; L22-A33 HydrophobicContact CD1-CB 4.25Å
23V94.7Very high91.7Very high12 Ų1268.9 Ų68.97%0.07338%0.379CS..EExtended strand (participates in β ladder)trans-101135.1-175.9-168.90000109.5A33 V34 I41 V44 W49V23-A33 CarbonylContact O-C 3.58Å; V23-A33 WeakPolarHBondContact O-CA 3.12Å; V23-V34 PolarHBondContact N-O 3.4Å; V23-V34 PolarHBondContact O-N 3.05Å; V23-I41 HydrophobicContact CB-CD1 4.24Å; V23-I41 HydrophobicContact CG1-CD1 4.45Å; V23-I41 HydrophobicContact CG2-CD1 4.18Å; V23-V44 HydrophobicContact CG1-CG1 4.29Å; V23-V44 HydrophobicContact CG2-CG1 3.94Å; V23-V44 HydrophobicContact CG2-CG2 3.81Å; V23-W49 HydrophobicContact CB-CE3 4.46Å; V23-W49 HydrophobicContact CG1-CB 3.95Å; V23-W49 HydrophobicContact CG1-CD2 3.65Å; V23-W49 HydrophobicContact CG1-CE3 3.64Å; V23-W49 HydrophobicContact CG1-CG 3.77Å; V23-W49 HydrophobicContact CG1-CZ3 4.4Å
24Y94.8Very high92.1Very high88 Ų8864.7 Ų64.735%0.34536%0.356SS..EExtended strand (participates in β ladder)trans-107.5141.7179.6-65.1-92.5000110.4M4 L22 A33M4-Y24 HydrophobicContact CB-CE1 4.1Å; M4-Y24 HydrophobicContact CG-CD1 4.41Å; M4-Y24 HydrophobicContact CG-CE1 4.2Å; M4-Y24 HydrophobicContact SD-CD1 4.39Å; M4-Y24 HydrophobicContact SD-CE1 4.11Å; L22-Y24 HydrophobicContact CD2-CE2 4.34Å; L22-Y24 WeakPolarHBondContact CD2-OH 3.29Å; L22-Y24 HydrophobicContact CG-CE2 4.15Å; Y24-A33 HydrophobicContact CD1-CB 3.55Å; Y24-A33 HydrophobicContact CE1-CB 3.56Å; Y24-A33 HydrophobicContact CG-CB 4.38Å
25C95.2Very high92.4Very high7 Ų758.4 Ų58.45%0.04733%0.327CS..  trans-84.8119.4176.7-177.50000111.6G27 C30 V32 W49 C51C25-G27 VanDerWaalsContact C-N 3.26Å; C25-G27 PolarHBondContact O-N 3.18Å; C25-C30 HydrophobicContact CB-CB 4.38Å; C25-C30 VanDerWaalsContact SG-SG 3.68Å; C25-V32 HydrophobicContact CB-CB 4.05Å; C25-V32 WeakPolarHBondContact CB-O 3.43Å; C25-V32 PolarHBondContact N-O 3.08Å; C25-W49 WeakPolarHBondContact CA-O 3.36Å; C25-W49 HydrophobicContact CB-CE3 4.07Å; C25-W49 HydrophobicContact CB-CZ3 3.88Å; C25-C51 HydrophobicContact CB-CB 4.34Å; C25-C51 PolarHBondContact SG-N 3.47Å
26D94.7Very high92.7Very high81 Ų8152.9 Ų52.943%0.43331%0.308SS..  trans-72.2-20-179.1-66.9-60000113.3R2 H28 P48 W49 F50R2-D26 PolarHBondContact NH1-O 2.75Å; D26-H28 PolarHBondContact O-N 2.89Å; D26-P48 HydrophobicContact CB-CB 4.19Å; D26-P48 WeakPolarHBondContact OD2-CA 3.29Å; D26-P48 WeakPolarHBondContact OD2-CB 3.49Å; D26-W49 PolarHBondContact N-O 3.44Å; D26-W49 PolarHBondContact OD2-N 2.93Å; D26-F50 HydrophobicContact CB-CE1 3.98Å; D26-F50 HydrophobicContact CB-CZ 4.37Å
27G92.3Very high93Very high6 Ų654.2 Ų54.26%0.06232%0.315CS..SBendtrans-47135.4-176.800000113.6R2 C25 G29 C30R2-G27 PolarHBondContact NH2-O 3.22Å; C25-G27 VanDerWaalsContact C-N 3.26Å; C25-G27 PolarHBondContact O-N 3.18Å; G27-G29 PolarHBondContact O-N 3.38Å; G27-C30 WeakPolarHBondContact O-CB 3.47Å; G27-C30 PolarHBondContact O-N 2.87Å
28H90.9Very high93.3Very high195 Ų19549.7 Ų49.790%0.90330%0.301SS*.THydrogen-bonded Turntrans-58.9133.6-173.5-170.4-96.5000112D26 C30D26-H28 PolarHBondContact O-N 2.89Å; H28-C30 PolarHBondContact O-N 3.13Å; H28-C30 VanDerWaalsContact O-N 3.11Å
29G88.6Confident93.8Very high71 Ų7145 Ų4573%0.73226%0.261SS*.THydrogen-bonded Turntrans68-1.6-17500000115.9G27G27-G29 PolarHBondContact O-N 3.38Å
30C91.8Very high94.1Very high17 Ų1738.8 Ų38.812%0.11524%0.235CC..  trans-76.7151.7178.3-158.90000112.4R2 C25 G27 H28R2-C30 PolarHBondContact NH2-O 2.67Å; C25-C30 HydrophobicContact CB-CB 4.38Å; C25-C30 VanDerWaalsContact SG-SG 3.68Å; G27-C30 WeakPolarHBondContact O-CB 3.47Å; G27-C30 PolarHBondContact O-N 2.87Å; H28-C30 PolarHBondContact O-N 3.13Å; H28-C30 VanDerWaalsContact O-N 3.11Å
31S90.9Very high94.2Very high74 Ų7438.1 Ų38.152%0.51723%0.231SC..  trans-131.21717657.50000112.6A33S31-A33 PolarHBondContact O-N 2.96Å
32V94.3Very high94.1Very high4 Ų441.7 Ų41.72%0.02425%0.252CS..  trans-74.9112.1-178.91750000110.1C25 V34 C51 A74C25-V32 HydrophobicContact CB-CB 4.05Å; C25-V32 WeakPolarHBondContact CB-O 3.43Å; C25-V32 PolarHBondContact N-O 3.08Å; V32-V34 HydrophobicContact CG1-CG1 3.91Å; V32-V34 HydrophobicContact CG1-CG2 4.47Å; V32-C51 HydrophobicContact CB-CB 4.46Å; V32-C51 HydrophobicContact CG1-CB 4.06Å; V32-A74 HydrophobicContact CG1-CB 4.29Å
33A94.8Very high94Very high4 Ų448.2 Ų48.23%0.03328%0.281CS..EExtended strand (participates in β ladder)trans-113.7129.2164.800000109C8 C9 L22 V23 Y24 S31C8-A33 WeakPolarHBondContact CA-O 3.38Å; C9-A33 PolarHBondContact N-O 2.9Å; C9-A33 PolarHBondContact SG-O 3.05Å; C9-A33 VanDerWaalsContact SG-O 3.4Å; L22-A33 HydrophobicContact CD1-CB 4.25Å; V23-A33 CarbonylContact O-C 3.58Å; V23-A33 WeakPolarHBondContact O-CA 3.12Å; Y24-A33 HydrophobicContact CD1-CB 3.55Å; Y24-A33 HydrophobicContact CE1-CB 3.56Å; Y24-A33 HydrophobicContact CG-CB 4.38Å; S31-A33 PolarHBondContact O-N 2.96Å
34V96.1Very high93.8Very high0 Ų049.9 Ų49.90%029%0.292CS..EExtended strand (participates in β ladder)trans-145.2142.7-175.5-71.30000112V10 V23 V32 Y39 I41 W49 A74V10-V34 HydrophobicContact CG2-CG1 4.06Å; V23-V34 PolarHBondContact N-O 3.4Å; V23-V34 PolarHBondContact O-N 3.05Å; V32-V34 HydrophobicContact CG1-CG1 3.91Å; V32-V34 HydrophobicContact CG1-CG2 4.47Å; V34-Y39 HydrophobicContact CG1-CD2 4.42Å; V34-Y39 HydrophobicContact CG2-CD1 4.36Å; V34-Y39 HydrophobicContact CG2-CG 4.04Å; V34-I41 HydrophobicContact CG2-CD1 4.17Å; V34-W49 HydrophobicContact CG2-CH2 3.59Å; V34-W49 HydrophobicContact CG2-CZ2 4.47Å; V34-W49 HydrophobicContact CG2-CZ3 3.91Å; V34-A74 HydrophobicContact CG1-CB 3.7Å
35H95.9Very high93.7Very high3 Ų348.4 Ų48.41%0.01429%0.293CS..EExtended strand (participates in β ladder)trans-67150.1165.3-61.198000111.2C8 R15 N20 P21 A37 C38 Y39C8-H35 WeakPolarHBondContact CB-CE1 3.38Å; C8-H35 WeakPolarHBondContact CB-ND1 3.38Å; R15-H35 PolarHBondContact O-NE2 2.8Å; N20-H35 PolarHBondContact O-CD2 3.24Å; N20-H35 WeakPolarHBondContact OD1-CB 3.46Å; P21-H35 VanDerWaalsContact O-CA 3.28Å; P21-H35 WeakPolarHBondContact O-CA 3.29Å; H35-A37 VanDerWaalsContact C-N 3.29Å; H35-A37 PolarHBondContact O-N 2.7Å; H35-C38 HydrophobicContact CB-CB 3.93Å; H35-C38 PolarHBondContact O-N 3.02Å; H35-Y39 PolarHBondContact O-N 2.86Å
36Q95.4Very high93.5Very high46 Ų4655.6 Ų55.622%0.21534%0.337CS..Hα-helixtrans-46.8-51.8174.3-172.3-177.4-8.900112N20 P21 C38 G40 I41 V42 V44N20-Q36 PolarHBondContact OD1-N 3.48Å; P21-Q36 HydrophobicContact CG-CB 4.37Å; P21-Q36 PolarHBondContact O-N 2.65Å; Q36-C38 PolarHBondContact O-N 2.69Å; Q36-G40 PolarHBondContact O-N 3.25Å; Q36-I41 HydrophobicContact CG-CB 3.89Å; Q36-I41 HydrophobicContact CG-CG2 4.23Å; Q36-I41 WeakPolarHBondContact CG-O 3.43Å; Q36-I41 PolarHBondContact NE2-O 3.31Å; Q36-I41 PolarHBondContact O-N 2.81Å; Q36-V42 PolarHBondContact NE2-O 3.4Å; Q36-V44 HydrophobicContact CB-CG2 4.18Å; Q36-V44 HydrophobicContact CG-CG2 3.87Å
37A94.6Very high93.4Very high68 Ų6853.9 Ų53.956%0.56234%0.339SS*.Hα-helixtrans-77.1-13.6179.500000114.7N20 H35N20-A37 WeakPolarHBondContact OD1-CB 3.41Å; N20-A37 PolarHBondContact OD1-N 3.06Å; H35-A37 VanDerWaalsContact C-N 3.29Å; H35-A37 PolarHBondContact O-N 2.7Å
38C95.6Very high93.5Very high23 Ų2357.7 Ų57.716%0.15536%0.362CS..Hα-helixtrans-88.3-5.1176.8-71.30000113.6V10 H35 Q36V10-C38 HydrophobicContact CB-CB 4.06Å; V10-C38 HydrophobicContact CG1-CB 4.26Å; H35-C38 HydrophobicContact CB-CB 3.93Å; H35-C38 PolarHBondContact O-N 3.02Å; Q36-C38 PolarHBondContact O-N 2.69Å
39Y97.1Very high93.7Very high5 Ų549.8 Ų49.82%0.0233%0.325CS..Hα-helixtrans-1320.3177.6-164.2-112.9000113.5V34 H35 I41 W49 C51 R52 A74 L75 K76 V86V34-Y39 HydrophobicContact CG1-CD2 4.42Å; V34-Y39 HydrophobicContact CG2-CD1 4.36Å; V34-Y39 HydrophobicContact CG2-CG 4.04Å; H35-Y39 PolarHBondContact O-N 2.86Å; Y39-I41 HydrophobicContact CD1-CD1 4.2Å; Y39-I41 HydrophobicContact CD1-CG1 3.91Å; Y39-W49 AromaticContact CD1-CH2 3.74Å; Y39-W49 HydrophobicContact CD1-CH2 3.74Å; Y39-W49 AromaticContact CD1-CZ2 3.54Å; Y39-W49 HydrophobicContact CD1-CZ2 3.54Å; Y39-W49 AromaticContact CE1-CH2 3.73Å; Y39-W49 HydrophobicContact CE1-CH2 3.73Å; Y39-W49 AromaticContact CE1-CZ2 3.54Å; Y39-W49 HydrophobicContact CE1-CZ2 3.54Å; Y39-C51 HydrophobicContact CE1-CB 4.17Å; Y39-R52 HydrophobicContact CE1-CG 4.37Å; Y39-R52 WeakPolarHBondContact OH-CB 3.18Å; Y39-R52 WeakPolarHBondContact OH-CG 3.23Å; Y39-R52 PolarHBondContact OH-N 3.47Å; Y39-A74 HydrophobicContact CD2-CB 3.79Å; Y39-A74 HydrophobicContact CE2-CB 3.8Å; Y39-L75 WeakPolarHBondContact CE2-O 3.47Å; Y39-L75 PolarHBondContact OH-O 3.34Å; Y39-K76 HydrophobicContact CD2-CD 4.39Å; Y39-K76 HydrophobicContact CE1-CD 4.15Å; Y39-K76 HydrophobicContact CE2-CD 3.69Å; Y39-K76 HydrophobicContact CE2-CG 3.95Å; Y39-K76 WeakPolarHBondContact O-CE 3.4Å; Y39-K76 PolarHBondContact O-NZ 2.81Å; Y39-V86 HydrophobicContact CD2-CG2 3.81Å; Y39-V86 HydrophobicContact CE2-CG2 4.01Å
40G95.9Very high94.1Very high9 Ų950.8 Ų50.89%0.09331%0.309CS..THydrogen-bonded Turntrans69.538-179.300000113.7Q36 V42 L101 T102Q36-G40 PolarHBondContact O-N 3.25Å; G40-V42 PolarHBondContact O-N 3.4Å; G40-L101 WeakPolarHBondContact CA-O 3.34Å; G40-T102 WeakPolarHBondContact O-CA 3.34Å
41I95.8Very high94.3Very high18 Ų1850 Ų509%0.09230%0.303CS..  trans-78.6102177.5-60.5169.9000107.9V23 V34 Q36 Y39 Q43 V44 W49V23-I41 HydrophobicContact CB-CD1 4.24Å; V23-I41 HydrophobicContact CG1-CD1 4.45Å; V23-I41 HydrophobicContact CG2-CD1 4.18Å; V34-I41 HydrophobicContact CG2-CD1 4.17Å; Q36-I41 HydrophobicContact CG-CB 3.89Å; Q36-I41 HydrophobicContact CG-CG2 4.23Å; Q36-I41 WeakPolarHBondContact CG-O 3.43Å; Q36-I41 PolarHBondContact NE2-O 3.31Å; Q36-I41 PolarHBondContact O-N 2.81Å; Y39-I41 HydrophobicContact CD1-CD1 4.2Å; Y39-I41 HydrophobicContact CD1-CG1 3.91Å; I41-Q43 VanDerWaalsContact C-N 3.28Å; I41-Q43 VanDerWaalsContact CG2-O 3.29Å; I41-Q43 WeakPolarHBondContact CG2-O 3.48Å; I41-Q43 PolarHBondContact O-N 3.41Å; I41-V44 HydrophobicContact CG2-CG2 4.2Å; I41-W49 HydrophobicContact CD1-CD2 4.38Å; I41-W49 HydrophobicContact CD1-CH2 4Å; I41-W49 HydrophobicContact CD1-CZ2 3.42Å; I41-W49 VanDerWaalsContact CD1-CZ2 3.42Å; I41-W49 HydrophobicContact CG1-CZ2 3.95Å
42V93Very high94.5Very high117 Ų11750.5 Ų50.571%0.70929%0.294SS*.SBendtrans-56.1-43.3-176.5-179.40000111.8Q36 G40 T102Q36-V42 PolarHBondContact NE2-O 3.4Å; G40-V42 PolarHBondContact O-N 3.4Å; V42-T102 HydrophobicContact CG2-CG2 3.89Å
43Q91.4Very high94.5Very high164 Ų16452.5 Ų52.577%0.76630%0.302SS*.SBendtrans-143.1133.8173.7-176.5174.92.700108.8I41I41-Q43 VanDerWaalsContact C-N 3.28Å; I41-Q43 VanDerWaalsContact CG2-O 3.29Å; I41-Q43 WeakPolarHBondContact CG2-O 3.48Å; I41-Q43 PolarHBondContact O-N 3.41Å
44V92Very high94.4Very high47 Ų4754.5 Ų54.529%0.28532%0.316SS..  trans-75.1126.4172.6-1740000108.3P21 V23 Q36 I41P21-V44 HydrophobicContact CG-CG2 3.93Å; V23-V44 HydrophobicContact CG1-CG1 4.29Å; V23-V44 HydrophobicContact CG2-CG1 3.94Å; V23-V44 HydrophobicContact CG2-CG2 3.81Å; Q36-V44 HydrophobicContact CB-CG2 4.18Å; Q36-V44 HydrophobicContact CG-CG2 3.87Å; I41-V44 HydrophobicContact CG2-CG2 4.2Å
45P91.6Very high94.3Very high58 Ų5859.9 Ų59.938%0.37734%0.341SS..  trans-70.2154.5177.830.9-35.8000111.2G47 W49P45-G47 VanDerWaalsContact C-N 3.33Å; P45-W49 HydrophobicContact CG-CB 3.98Å; P45-W49 HydrophobicContact CG-CG 4.32Å
46T91.5Very high94Very high157 Ų15760.8 Ų60.896%0.96335%0.347SS*.SBendtrans-78.6-20.4172.4-42.70000112.4
47G92.9Very high93.6Very high46 Ų4667.9 Ų67.947%0.47438%0.381SS..SBendtrans-95-166.4172.900000112.8P45P45-G47 VanDerWaalsContact C-N 3.33Å
48P94Very high93.2Very high86 Ų8667.3 Ų67.356%0.55837%0.366SS*.  trans-61.8147.2-178.327.1-35.4000112.2D26 F50D26-P48 HydrophobicContact CB-CB 4.19Å; D26-P48 WeakPolarHBondContact OD2-CA 3.29Å; D26-P48 WeakPolarHBondContact OD2-CB 3.49Å; P48-F50 HydrophobicContact CB-CE2 4.13Å; P48-F50 HydrophobicContact CB-CZ 4.13Å; P48-F50 HydrophobicContact CG-CE2 4.23Å; P48-F50 HydrophobicContact CG-CZ 4.48Å
49W95.5Very high92.6Very high29 Ų2975 Ų7511%0.1139%0.392CS..  trans-116.3135.3179.4-17775.5000112.2V23 C25 D26 V34 Y39 I41 P45 C51V23-W49 HydrophobicContact CB-CE3 4.46Å; V23-W49 HydrophobicContact CG1-CB 3.95Å; V23-W49 HydrophobicContact CG1-CD2 3.65Å; V23-W49 HydrophobicContact CG1-CE3 3.64Å; V23-W49 HydrophobicContact CG1-CG 3.77Å; V23-W49 HydrophobicContact CG1-CZ3 4.4Å; C25-W49 WeakPolarHBondContact CA-O 3.36Å; C25-W49 HydrophobicContact CB-CE3 4.07Å; C25-W49 HydrophobicContact CB-CZ3 3.88Å; D26-W49 PolarHBondContact N-O 3.44Å; D26-W49 PolarHBondContact OD2-N 2.93Å; V34-W49 HydrophobicContact CG2-CH2 3.59Å; V34-W49 HydrophobicContact CG2-CZ2 4.47Å; V34-W49 HydrophobicContact CG2-CZ3 3.91Å; Y39-W49 AromaticContact CD1-CH2 3.74Å; Y39-W49 HydrophobicContact CD1-CH2 3.74Å; Y39-W49 AromaticContact CD1-CZ2 3.54Å; Y39-W49 HydrophobicContact CD1-CZ2 3.54Å; Y39-W49 AromaticContact CE1-CH2 3.73Å; Y39-W49 HydrophobicContact CE1-CH2 3.73Å; Y39-W49 AromaticContact CE1-CZ2 3.54Å; Y39-W49 HydrophobicContact CE1-CZ2 3.54Å; I41-W49 HydrophobicContact CD1-CD2 4.38Å; I41-W49 HydrophobicContact CD1-CH2 4Å; I41-W49 HydrophobicContact CD1-CZ2 3.42Å; I41-W49 VanDerWaalsContact CD1-CZ2 3.42Å; I41-W49 HydrophobicContact CG1-CZ2 3.95Å; P45-W49 HydrophobicContact CG-CB 3.98Å; P45-W49 HydrophobicContact CG-CG 4.32Å; W49-C51 HydrophobicContact CH2-CB 3.5Å; W49-C51 VanDerWaalsContact CH2-CB 3.5Å; W49-C51 HydrophobicContact CZ2-CB 4.16Å; W49-C51 HydrophobicContact CZ3-CB 3.88Å
50F95.7Very high91.7Very high92 Ų9278.2 Ų78.240%0.40442%0.42SS..  trans-119.9129.3177.3-56.7-76.6000110.1D26 P48 C54 E55D26-F50 HydrophobicContact CB-CE1 3.98Å; D26-F50 HydrophobicContact CB-CZ 4.37Å; P48-F50 HydrophobicContact CB-CE2 4.13Å; P48-F50 HydrophobicContact CB-CZ 4.13Å; P48-F50 HydrophobicContact CG-CE2 4.23Å; P48-F50 HydrophobicContact CG-CZ 4.48Å; F50-C54 HydrophobicContact CB-CB 4.43Å; F50-C54 HydrophobicContact CD1-CB 4.46Å; F50-E55 HydrophobicContact CB-CB 4.42Å
51C95.9Very high90.9Very high0 Ų080.9 Ų80.90%044%0.441CS..  trans-70.7157.3168.470.70000110.1C25 V32 Y39 W49 K53 C54 E55C25-C51 HydrophobicContact CB-CB 4.34Å; C25-C51 PolarHBondContact SG-N 3.47Å; V32-C51 HydrophobicContact CB-CB 4.46Å; V32-C51 HydrophobicContact CG1-CB 4.06Å; Y39-C51 HydrophobicContact CE1-CB 4.17Å; W49-C51 HydrophobicContact CH2-CB 3.5Å; W49-C51 VanDerWaalsContact CH2-CB 3.5Å; W49-C51 HydrophobicContact CZ2-CB 4.16Å; W49-C51 HydrophobicContact CZ3-CB 3.88Å; C51-K53 PolarHBondContact O-N 3.35Å; C51-C54 PolarHBondContact O-N 3.08Å; C51-E55 PolarHBondContact O-N 2.86Å
52R95.1Very high90.3Very high84 Ų8488 Ų8832%0.31747%0.467SS..Hα-helixtrans-55.3-26.2-176.9-58.5-54.4-166.3-166.42.6113.3Y39 E55 S56 K76 W83 E104Y39-R52 HydrophobicContact CE1-CG 4.37Å; Y39-R52 WeakPolarHBondContact OH-CB 3.18Å; Y39-R52 WeakPolarHBondContact OH-CG 3.23Å; Y39-R52 PolarHBondContact OH-N 3.47Å; R52-E55 WeakPolarHBondContact CD-OE2 3.5Å; R52-E55 IonicContact CZ-OE2 3.32Å; R52-E55 IonicContact NE-OE2 2.7Å; R52-E55 IonicContact NH1-OE1 3.43Å; R52-E55 PolarHBondContact NH1-OE1 2.83Å; R52-E55 IonicContact NH1-OE2 3.36Å; R52-E55 PolarHBondContact NH1-OE2 3.11Å; R52-S56 WeakPolarHBondContact O-CB 3.27Å; R52-S56 PolarHBondContact O-N 2.84Å; R52-S56 VanDerWaalsContact O-N 3.12Å; R52-K76 HydrophobicContact CB-CD 4.34Å; R52-K76 HydrophobicContact CG-CD 3.6Å; R52-W83 HydrophobicContact CB-CH2 4.13Å; R52-W83 HydrophobicContact CB-CZ3 3.82Å; R52-W83 VanDerWaalsContact O-CH2 3.29Å; R52-W83 WeakPolarHBondContact O-CH2 3.49Å; R52-E104 IonicContact CZ-OE1 3.35Å; R52-E104 IonicContact CZ-OE2 3.6Å; R52-E104 IonicContact NE-OE1 3.36Å; R52-E104 PolarHBondContact NE-OE1 2.99Å; R52-E104 IonicContact NE-OE2 2.73Å; R52-E104 PolarHBondContact NE-OE2 2.9Å; R52-E104 IonicContact NH2-OE1 3.15Å; R52-E104 PolarHBondContact NH2-OE1 3.33Å; R52-E104 IonicContact NH2-OE2 3.58Å
53K93.8Very high90.3Very high46 Ų4682.5 Ų82.520%0.243%0.434CS..Hα-helixtrans-64.6-33.5173.1176.5178.1-177.2178.40113.2C51 V63 K71 D72 L75C51-K53 PolarHBondContact O-N 3.35Å; K53-V63 HydrophobicContact CB-CG1 4.28Å; K53-V63 HydrophobicContact CG-CG1 3.86Å; K53-K71 PolarHBondContact NZ-O 2.86Å; K53-D72 IonicContact NZ-OD1 3.15Å; K53-D72 PolarHBondContact NZ-OD1 3.2Å; K53-L75 HydrophobicContact CD-CD1 4.12Å
54C93.8Very high90.4Very high47 Ų4780.3 Ų80.332%0.31842%0.418SS..Hα-helixtrans-98.3-26.2-177.8-66.30000113.3F50 C51 S56F50-C54 HydrophobicContact CB-CB 4.43Å; F50-C54 HydrophobicContact CD1-CB 4.46Å; C51-C54 PolarHBondContact O-N 3.08Å; C54-S56 VanDerWaalsContact C-N 3.32Å
55E93.4Very high90.6Very high112 Ų11278.6 Ų78.652%0.52341%0.408SS..Hα-helixtrans-72.2-26.6169.9-176.1-171.6-140.900111.9F50 C51 R52 Q57F50-E55 HydrophobicContact CB-CB 4.42Å; C51-E55 PolarHBondContact O-N 2.86Å; R52-E55 WeakPolarHBondContact CD-OE2 3.5Å; R52-E55 IonicContact CZ-OE2 3.32Å; R52-E55 IonicContact NE-OE2 2.7Å; R52-E55 IonicContact NH1-OE1 3.43Å; R52-E55 PolarHBondContact NH1-OE1 2.83Å; R52-E55 IonicContact NH1-OE2 3.36Å; R52-E55 PolarHBondContact NH1-OE2 3.11Å; E55-Q57 PolarHBondContact O-N 2.87Å
56S90.3Very high90.8Very high22 Ų2279.3 Ų79.315%0.15441%0.406CS..  trans-75.7119.5177.2-176.50000112.2R52 C54 E58 R77R52-S56 WeakPolarHBondContact O-CB 3.27Å; R52-S56 PolarHBondContact O-N 2.84Å; R52-S56 VanDerWaalsContact O-N 3.12Å; C54-S56 VanDerWaalsContact C-N 3.32Å; S56-E58 PolarHBondContact O-N 3.34Å; S56-E58 WeakPolarHBondContact OG-CB 3.26Å; S56-E58 PolarHBondContact OG-N 3.01Å; S56-R77 PolarHBondContact OG-NH2 3.16Å
57Q86.2Confident91Very high196 Ų19671.8 Ų71.892%0.91636%0.36SS*.  trans-66.84.8171.1-162.166.3-12.400113.8E55E55-Q57 PolarHBondContact O-N 2.87Å
58E87.1Confident91.2Very high56 Ų5669.8 Ų69.826%0.26234%0.339SS..SBendtrans-74.5132.8178.7-178.6167.3-149.600112.3S56 A60 R62 V63 R77 W83S56-E58 PolarHBondContact O-N 3.34Å; S56-E58 WeakPolarHBondContact OG-CB 3.26Å; S56-E58 PolarHBondContact OG-N 3.01Å; E58-A60 PolarHBondContact O-N 3.13Å; E58-A60 VanDerWaalsContact O-N 3.11Å; E58-R62 HydrophobicContact CG-CB 4.02Å; E58-R62 WeakPolarHBondContact OE1-CB 3.46Å; E58-R62 WeakPolarHBondContact OE1-CD 3.3Å; E58-V63 HydrophobicContact CB-CG2 3.92Å; E58-V63 HydrophobicContact CG-CG2 3.89Å; E58-R77 IonicContact OE2-NH2 2.75Å; E58-W83 PolarHBondContact OE2-NE1 2.84Å
59R83.2Confident91.3Very high184 Ų18466.5 Ų66.569%0.69432%0.317SS*.  trans-49.4118.7176.8-176.3-178.6-68.2139.6-0.4111.2A61 R62R59-A61 HydrophobicContact CG-CB 4.4Å; R59-A61 PolarHBondContact O-N 2.9Å; R59-R62 PolarHBondContact O-N 3.1Å
60A77.3Confident91.2Very high73 Ų7367.1 Ų67.160%0.60332%0.322SS*.THydrogen-bonded Turntrans-53-17.6-173.100000116.3E58 R62E58-A60 PolarHBondContact O-N 3.13Å; E58-A60 VanDerWaalsContact O-N 3.11Å; A60-R62 VanDerWaalsContact C-N 3.31Å
61A78.6Confident90.9Very high65 Ų6567.6 Ų67.654%0.53732%0.324SS..THydrogen-bonded Turntrans-65.7-29.6171.300000113.8R59 R64R59-A61 HydrophobicContact CG-CB 4.4Å; R59-A61 PolarHBondContact O-N 2.9Å; A61-R64 WeakPolarHBondContact O-CD 3.4Å
62R84.9Confident90.6Very high166 Ų16672.2 Ų72.263%0.62635%0.348SS*.THydrogen-bonded Turntrans-85-34.1176.9-67-176.9178167.4-2.4112.8E58 R59 A60 R64E58-R62 HydrophobicContact CG-CB 4.02Å; E58-R62 WeakPolarHBondContact OE1-CB 3.46Å; E58-R62 WeakPolarHBondContact OE1-CD 3.3Å; R59-R62 PolarHBondContact O-N 3.1Å; A60-R62 VanDerWaalsContact C-N 3.31Å; R62-R64 VanDerWaalsContact C-N 3.32Å; R62-R64 PolarHBondContact O-N 3.08Å
63V91.8Very high90.4Very high3 Ų369 Ų692%0.01834%0.341CS..  trans-71.683.4-178-172.40000110.5K53 E58 L75 W83K53-V63 HydrophobicContact CB-CG1 4.28Å; K53-V63 HydrophobicContact CG-CG1 3.86Å; E58-V63 HydrophobicContact CB-CG2 3.92Å; E58-V63 HydrophobicContact CG-CG2 3.89Å; V63-L75 HydrophobicContact CG1-CD1 3.81Å; V63-W83 HydrophobicContact CG1-CD2 3.79Å; V63-W83 HydrophobicContact CG1-CE3 4.25Å; V63-W83 HydrophobicContact CG1-CG 4.02Å; V63-W83 HydrophobicContact CG1-CZ2 4.27Å; V63-W83 HydrophobicContact CG2-CZ2 4.46Å
64R93.1Very high90.5Very high118 Ų11867 Ų6745%0.44533%0.333SS..  trans-142.3146.4-172.9-64.9-179.861.7-170.1-7.4110.3A61 R62 E66 W83A61-R64 WeakPolarHBondContact O-CD 3.4Å; R62-R64 VanDerWaalsContact C-N 3.32Å; R62-R64 PolarHBondContact O-N 3.08Å; R64-E66 PolarHBondContact O-N 3.43Å; R64-W83 WeakPolarHBondContact O-CB 3.35Å
65C96.4Very high90.6Very high10 Ų1064.7 Ų64.77%0.06832%0.318CS..  trans-66.1122.7177.1-170.50000112L67 L75 W83 H85C65-L67 PolarHBondContact O-N 3.41Å; C65-L67 PolarHBondContact SG-N 2.9Å; C65-L67 VanDerWaalsContact SG-N 3.43Å; C65-L75 HydrophobicContact CB-CD2 4Å; C65-W83 CarbonylContact C-O 3.53Å; C65-W83 VanDerWaalsContact CA-O 3.32Å; C65-W83 WeakPolarHBondContact CA-O 3.4Å; C65-H85 WeakPolarHBondContact CB-ND1 3.2Å; C65-H85 PolarHBondContact SG-N 2.91Å; C65-H85 PolarHBondContact SG-ND1 2.91Å
66E95.5Very high90.8Very high73 Ų7359.5 Ų59.534%0.34129%0.293SS..THydrogen-bonded Turntrans-64.9-27.5171.4-72.5164.7-94.600112R64 T78 S80 G82 W83 L108 G135R64-E66 PolarHBondContact O-N 3.43Å; E66-T78 WeakPolarHBondContact OE1-CG2 3.2Å; E66-T78 PolarHBondContact OE1-OG1 3.42Å; E66-S80 PolarHBondContact OE1-OG 2.97Å; E66-S80 PolarHBondContact OE2-OG 3.49Å; E66-G82 WeakPolarHBondContact OE1-CA 3.47Å; E66-W83 PolarHBondContact N-O 2.95Å; E66-W83 PolarHBondContact OE1-N 2.96Å; E66-L108 HydrophobicContact CB-CD1 4.13Å; E66-G135 VanDerWaalsContact O-CA 3.28Å; E66-G135 WeakPolarHBondContact O-CA 3.41Å
67L96.8Very high91.1Very high0 Ų063.6 Ų63.60%031%0.305CS..THydrogen-bonded Turntrans-88.9-11.5-174.2-59.1171.5000114.5C65 A84 C88 I92 V95 L108 Y116 A136C65-L67 PolarHBondContact O-N 3.41Å; C65-L67 PolarHBondContact SG-N 2.9Å; C65-L67 VanDerWaalsContact SG-N 3.43Å; L67-A84 HydrophobicContact CD1-CB 3.98Å; L67-A84 HydrophobicContact CG-CB 4.39Å; L67-C88 HydrophobicContact CB-CB 3.96Å; L67-C88 HydrophobicContact CD1-CB 3.73Å; L67-I92 HydrophobicContact CB-CD1 4.36Å; L67-I92 HydrophobicContact CD1-CD1 4.29Å; L67-I92 HydrophobicContact CD2-CD1 4.33Å; L67-V95 HydrophobicContact CD1-CG2 4.09Å; L67-L108 HydrophobicContact CD1-CD2 3.89Å; L67-L108 HydrophobicContact CD2-CD1 4.37Å; L67-L108 HydrophobicContact CD2-CD2 4.05Å; L67-L108 HydrophobicContact CG-CD2 4.22Å; L67-Y116 HydrophobicContact CD2-CE1 4.33Å; L67-A136 HydrophobicContact CD2-CB 3.8Å; L67-A136 PolarHBondContact O-N 2.8Å
68C96.8Very high91.6Very high4 Ų454.6 Ų54.63%0.02726%0.264CS..SBendtrans-159.1161.1-179.479.70000114H70 H85 H150 T152C68-H70 PolarHBondContact O-N 3.43Å; C68-H70 VanDerWaalsContact O-N 3.08Å; C68-H85 PolarHBondContact SG-ND1 2.76Å; C68-H150 HydrophobicContact CB-CB 3.98Å; C68-T152 WeakPolarHBondContact CB-OG1 3.26Å; C68-T152 PolarHBondContact SG-OG1 3.38Å
69P95.4Very high92Very high16 Ų1655.1 Ų55.110%0.10427%0.269CS..SBendtrans-68.9-4.8-178.322.9-31.9000116K131 H150P69-K131 HydrophobicContact CB-CB 3.86Å; P69-K131 HydrophobicContact CB-CD 4.23Å; P69-K131 HydrophobicContact CB-CG 4Å; P69-K131 HydrophobicContact CG-CB 4.14Å; P69-H150 WeakPolarHBondContact CD-ND1 3.36Å
70H93.4Very high92.4Very high42 Ų4249.7 Ų49.719%0.19426%0.259CS..  trans-86.7142.5-172.2-76.2-97.6000113C68 H85 M156C68-H70 PolarHBondContact O-N 3.43Å; C68-H70 VanDerWaalsContact O-N 3.08Å; H70-H85 PolarHBondContact O-CE1 3.12Å; H70-M156 WeakPolarHBondContact CE1-CE 3.47Å; H70-M156 PolarHBondContact CE1-SD 3.31Å; H70-M156 VanDerWaalsContact NE2-CE 3.35Å; H70-M156 WeakPolarHBondContact NE2-CE 3.14Å
71K91.1Very high93.1Very high103 Ų10348.5 Ų48.545%0.44825%0.253SS..  trans-96.3-17.4-174.1-72.1167.5169.1-79.20114K53K53-K71 PolarHBondContact NZ-O 2.86Å
72D88.5Confident93.8Very high97 Ų9746.4 Ų46.452%0.51924%0.238SC..  trans-129.3162.1-160.5-52.9-60.7000111.9K53 H85K53-D72 IonicContact NZ-OD1 3.15Å; K53-D72 PolarHBondContact NZ-OD1 3.2Å; D72-H85 PolarHBondContact O-NE2 3.15Å
73G91.9Very high94.4Very high16 Ų1638.7 Ų38.717%0.16521%0.209CC..SBendtrans95.8-176.1-164.100000112.9L75G73-L75 PolarHBondContact O-N 3.35Å
74A95.5Very high94.6Very high3 Ų338.5 Ų38.53%0.02521%0.208CC..  trans-74.5107.6-170.800000113.1C9 V10 V32 V34 Y39 H85 V86C9-A74 PolarHBondContact SG-N 2.86Å; V10-A74 HydrophobicContact CG2-CB 3.81Å; V32-A74 HydrophobicContact CG1-CB 4.29Å; V34-A74 HydrophobicContact CG1-CB 3.7Å; Y39-A74 HydrophobicContact CD2-CB 3.79Å; Y39-A74 HydrophobicContact CE2-CB 3.8Å; A74-H85 VanDerWaalsContact O-CA 3.31Å; A74-H85 WeakPolarHBondContact O-CA 3.13Å; A74-V86 PolarHBondContact O-N 3.35Å
75L96.5Very high94.8Very high0 Ų033 Ų330%019%0.187CC..EExtended strand (participates in β ladder)trans-101.4148.6175.3-64.6174.1000112.1Y39 K53 V63 C65 G73 W83 A84 H85Y39-L75 WeakPolarHBondContact CE2-O 3.47Å; Y39-L75 PolarHBondContact OH-O 3.34Å; K53-L75 HydrophobicContact CD-CD1 4.12Å; V63-L75 HydrophobicContact CG1-CD1 3.81Å; C65-L75 HydrophobicContact CB-CD2 4Å; G73-L75 PolarHBondContact O-N 3.35Å; L75-W83 HydrophobicContact CB-CE3 4.01Å; L75-A84 CarbonylContact C-O 3.55Å; L75-A84 WeakPolarHBondContact CA-O 3.43Å; L75-H85 HydrophobicContact CD2-CB 4.39Å; L75-H85 VanDerWaalsContact CD2-CD2 3.45Å; L75-H85 WeakPolarHBondContact CD2-CD2 3.28Å
76K97Very high94.9Very high3 Ų332.6 Ų32.61%0.01318%0.184CC..EExtended strand (participates in β ladder)trans-130.9160.6165.6-67.2-63.9-161.883.60109.7Y39 R52 W83 A84 V86 T102 M103 E104 I106Y39-K76 HydrophobicContact CD2-CD 4.39Å; Y39-K76 HydrophobicContact CE1-CD 4.15Å; Y39-K76 HydrophobicContact CE2-CD 3.69Å; Y39-K76 HydrophobicContact CE2-CG 3.95Å; Y39-K76 WeakPolarHBondContact O-CE 3.4Å; Y39-K76 PolarHBondContact O-NZ 2.81Å; R52-K76 HydrophobicContact CB-CD 4.34Å; R52-K76 HydrophobicContact CG-CD 3.6Å; K76-W83 VanDerWaalsContact C-CE3 3.46Å; K76-W83 WeakPolarHBondContact O-CA 3.31Å; K76-A84 PolarHBondContact N-O 3.34Å; K76-A84 PolarHBondContact O-N 2.98Å; K76-V86 HydrophobicContact CB-CG2 4.45Å; K76-V86 HydrophobicContact CG-CG2 3.59Å; K76-T102 PolarHBondContact NZ-O 3.45Å; K76-M103 PolarHBondContact NZ-O 3.2Å; K76-E104 HydrophobicContact CB-CB 4.44Å; K76-E104 HydrophobicContact CD-CB 4.23Å; K76-E104 VanDerWaalsContact CD-OE2 3.28Å; K76-E104 WeakPolarHBondContact CD-OE2 3.45Å; K76-E104 VanDerWaalsContact CE-OE2 3.27Å; K76-E104 WeakPolarHBondContact CE-OE2 3.42Å; K76-E104 HydrophobicContact CG-CB 4.47Å; K76-E104 IonicContact NZ-OE2 3.31Å; K76-E104 PolarHBondContact NZ-OE2 2.95Å; K76-I106 HydrophobicContact CB-CD1 3.82Å; K76-I106 HydrophobicContact CB-CG1 4.17Å
77R96Very high94.9Very high107 Ų10729.3 Ų29.340%0.40417%0.169SC..EExtended strand (participates in β ladder)trans-68.8149.3175.7-73.3-171.6170.5-76.6-2.7111.6S56 E58 G81 G82 W83 P105 I106S56-R77 PolarHBondContact OG-NH2 3.16Å; E58-R77 IonicContact OE2-NH2 2.75Å; R77-G81 PolarHBondContact NH1-O 3.09Å; R77-G82 WeakPolarHBondContact CA-O 3.35Å; R77-W83 HydrophobicContact CG-CD2 4.25Å; R77-W83 HydrophobicContact CG-CE3 4.09Å; R77-W83 HydrophobicContact CG-CH2 3.68Å; R77-W83 HydrophobicContact CG-CZ2 3.84Å; R77-W83 HydrophobicContact CG-CZ3 3.81Å; R77-P105 WeakPolarHBondContact O-CA 3.38Å; R77-I106 PolarHBondContact O-N 3.36Å
78T96.6Very high95Very high8 Ų829.3 Ų29.35%0.04917%0.169CC..BIsolated β-bridgetrans-101.9164.5177.146.20000112.3E66 S80 G81 G82 W83 A84 I106 L108E66-T78 WeakPolarHBondContact OE1-CG2 3.2Å; E66-T78 PolarHBondContact OE1-OG1 3.42Å; T78-S80 PolarHBondContact O-N 3.08Å; T78-S80 PolarHBondContact OG1-OG 2.89Å; T78-G81 PolarHBondContact O-N 3.32Å; T78-G82 PolarHBondContact N-O 2.86Å; T78-G82 WeakPolarHBondContact OG1-CA 3.33Å; T78-G82 PolarHBondContact OG1-N 3.14Å; T78-G82 PolarHBondContact OG1-O 3.48Å; T78-W83 PolarHBondContact OG1-N 2.94Å; T78-A84 HydrophobicContact CG2-CB 3.51Å; T78-I106 CarbonylContact C-O 3.42Å; T78-I106 WeakPolarHBondContact CA-O 3.27Å; T78-I106 HydrophobicContact CG2-CB 4.12Å; T78-I106 HydrophobicContact CG2-CG2 4.3Å; T78-L108 HydrophobicContact CG2-CD1 3.67Å; T78-L108 HydrophobicContact CG2-CD2 4.39Å; T78-L108 HydrophobicContact CG2-CG 3.85Å
79D95.2Very high95Very high67 Ų6729.3 Ų29.336%0.35817%0.17SC..THydrogen-bonded Turntrans-58.8-32.9168.458.2-19.7000112.9G81 I106 I107 L108 Q109D79-G81 PolarHBondContact O-N 3.02Å; D79-I106 PolarHBondContact N-O 3.06Å; D79-I107 WeakPolarHBondContact OD2-CG2 3.26Å; D79-L108 WeakPolarHBondContact OD1-CB 3.23Å; D79-L108 PolarHBondContact OD1-N 3.02Å; D79-L108 PolarHBondContact OD2-N 2.96Å; D79-Q109 PolarHBondContact OD2-N 3.44Å
80S91.9Very high95Very high70 Ų7030.3 Ų30.349%0.4917%0.174SC..THydrogen-bonded Turntrans-68.3-4.7170.462.30000114.3E66 T78 G82E66-S80 PolarHBondContact OE1-OG 2.97Å; E66-S80 PolarHBondContact OE2-OG 3.49Å; T78-S80 PolarHBondContact O-N 3.08Å; T78-S80 PolarHBondContact OG1-OG 2.89Å; S80-G82 PolarHBondContact O-N 3.23Å
81G91.6Very high95.1Very high47 Ų4728.8 Ų28.849%0.48517%0.166SC..SBendtrans82.2-5.6-175.700000114.7R77 T78 D79R77-G81 PolarHBondContact NH1-O 3.09Å; T78-G81 PolarHBondContact O-N 3.32Å; D79-G81 PolarHBondContact O-N 3.02Å
82G94.3Very high95.4Very high21 Ų2124 Ų2422%0.21615%0.145CC..SBendtrans-82.7-138174.500000113.5E66 R77 T78 S80E66-G82 WeakPolarHBondContact OE1-CA 3.47Å; R77-G82 WeakPolarHBondContact CA-O 3.35Å; T78-G82 PolarHBondContact N-O 2.86Å; T78-G82 WeakPolarHBondContact OG1-CA 3.33Å; T78-G82 PolarHBondContact OG1-N 3.14Å; T78-G82 PolarHBondContact OG1-O 3.48Å; S80-G82 PolarHBondContact O-N 3.23Å
83W96.6Very high95.6Very high4 Ų424 Ų242%0.01515%0.151CC..EExtended strand (participates in β ladder)trans-149.1140.1-170.8-65.692000112.2R52 E58 V63 R64 C65 E66 L75 K76 R77 T78R52-W83 HydrophobicContact CB-CH2 4.13Å; R52-W83 HydrophobicContact CB-CZ3 3.82Å; R52-W83 VanDerWaalsContact O-CH2 3.29Å; R52-W83 WeakPolarHBondContact O-CH2 3.49Å; E58-W83 PolarHBondContact OE2-NE1 2.84Å; V63-W83 HydrophobicContact CG1-CD2 3.79Å; V63-W83 HydrophobicContact CG1-CE3 4.25Å; V63-W83 HydrophobicContact CG1-CG 4.02Å; V63-W83 HydrophobicContact CG1-CZ2 4.27Å; V63-W83 HydrophobicContact CG2-CZ2 4.46Å; R64-W83 WeakPolarHBondContact O-CB 3.35Å; C65-W83 CarbonylContact C-O 3.53Å; C65-W83 VanDerWaalsContact CA-O 3.32Å; C65-W83 WeakPolarHBondContact CA-O 3.4Å; E66-W83 PolarHBondContact N-O 2.95Å; E66-W83 PolarHBondContact OE1-N 2.96Å; L75-W83 HydrophobicContact CB-CE3 4.01Å; K76-W83 VanDerWaalsContact C-CE3 3.46Å; K76-W83 WeakPolarHBondContact O-CA 3.31Å; R77-W83 HydrophobicContact CG-CD2 4.25Å; R77-W83 HydrophobicContact CG-CE3 4.09Å; R77-W83 HydrophobicContact CG-CH2 3.68Å; R77-W83 HydrophobicContact CG-CZ2 3.84Å; R77-W83 HydrophobicContact CG-CZ3 3.81Å; T78-W83 PolarHBondContact OG1-N 2.94Å
84A97.5Very high95.7Very high0 Ų025.6 Ų25.60%015%0.154CC..EExtended strand (participates in β ladder)trans-138.4153.6173.100000111.5L67 L75 K76 T78 I106L67-A84 HydrophobicContact CD1-CB 3.98Å; L67-A84 HydrophobicContact CG-CB 4.39Å; L75-A84 CarbonylContact C-O 3.55Å; L75-A84 WeakPolarHBondContact CA-O 3.43Å; K76-A84 PolarHBondContact N-O 3.34Å; K76-A84 PolarHBondContact O-N 2.98Å; T78-A84 HydrophobicContact CG2-CB 3.51Å; A84-I106 HydrophobicContact CB-CB 4.47Å; A84-I106 HydrophobicContact CB-CD1 3.76Å; A84-I106 HydrophobicContact CB-CG2 4.11Å
85H97.4Very high95.8Very high3 Ų326 Ų261%0.01416%0.156CC..EExtended strand (participates in β ladder)trans-73.6139.4172-70.6115.1000111C65 C68 H70 D72 A74 L75 V87 C88 A89C65-H85 WeakPolarHBondContact CB-ND1 3.2Å; C65-H85 PolarHBondContact SG-N 2.91Å; C65-H85 PolarHBondContact SG-ND1 2.91Å; C68-H85 PolarHBondContact SG-ND1 2.76Å; H70-H85 PolarHBondContact O-CE1 3.12Å; D72-H85 PolarHBondContact O-NE2 3.15Å; A74-H85 VanDerWaalsContact O-CA 3.31Å; A74-H85 WeakPolarHBondContact O-CA 3.13Å; L75-H85 HydrophobicContact CD2-CB 4.39Å; L75-H85 VanDerWaalsContact CD2-CD2 3.45Å; L75-H85 WeakPolarHBondContact CD2-CD2 3.28Å; H85-V87 VanDerWaalsContact C-N 3.26Å; H85-V87 HydrophobicContact CB-CG1 4.08Å; H85-V87 PolarHBondContact O-N 3.22Å; H85-C88 HydrophobicContact CB-CB 3.92Å; H85-C88 WeakPolarHBondContact O-CB 3.48Å; H85-C88 PolarHBondContact O-N 3.23Å; H85-A89 PolarHBondContact O-N 3.3Å
86V97.4Very high95.7Very high0 Ų030.8 Ų30.80%018%0.178CC..Hα-helixtrans-60-39.3173.4-176.20000111V10 Y39 A74 K76 C88 A89 L90 F97 M103V10-V86 HydrophobicContact CG1-CG1 4.28Å; V10-V86 HydrophobicContact CG2-CB 4.38Å; Y39-V86 HydrophobicContact CD2-CG2 3.81Å; Y39-V86 HydrophobicContact CE2-CG2 4.01Å; A74-V86 PolarHBondContact O-N 3.35Å; K76-V86 HydrophobicContact CB-CG2 4.45Å; K76-V86 HydrophobicContact CG-CG2 3.59Å; V86-C88 PolarHBondContact O-N 2.65Å; V86-A89 PolarHBondContact O-N 3.43Å; V86-L90 HydrophobicContact CG1-CD1 4.22Å; V86-L90 WeakPolarHBondContact O-CG 3.44Å; V86-L90 PolarHBondContact O-N 2.91Å; V86-F97 HydrophobicContact CG1-CE1 4.23Å; V86-F97 HydrophobicContact CG1-CZ 4.05Å; V86-M103 HydrophobicContact CG1-CE 3.48Å; V86-M103 VanDerWaalsContact CG1-CE 3.48Å; V86-M103 HydrophobicContact CG1-SD 4.16Å
87V96.6Very high95.7Very high4 Ų432.2 Ų32.22%0.02419%0.185CC..Hα-helixtrans-64.9-38.4174.673.50000112.2V10 H85 A89 L90 Y91 V151 T152 L160V10-V87 HydrophobicContact CG1-CB 4.35Å; V10-V87 WeakPolarHBondContact O-CG2 3.3Å; H85-V87 VanDerWaalsContact C-N 3.26Å; H85-V87 HydrophobicContact CB-CG1 4.08Å; H85-V87 PolarHBondContact O-N 3.22Å; V87-A89 VanDerWaalsContact C-N 3.32Å; V87-A89 PolarHBondContact O-N 3.01Å; V87-L90 PolarHBondContact O-N 3.1Å; V87-Y91 HydrophobicContact CG2-CD2 3.81Å; V87-Y91 HydrophobicContact CG2-CE2 3.91Å; V87-Y91 WeakPolarHBondContact O-CD2 3.36Å; V87-Y91 PolarHBondContact O-N 3.31Å; V87-V151 HydrophobicContact CG1-CG1 4.41Å; V87-V151 HydrophobicContact CG2-CG1 3.94Å; V87-T152 HydrophobicContact CG1-CG2 4.11Å; V87-L160 HydrophobicContact CG2-CD1 4.31Å
88C97.4Very high95.6Very high1 Ų130.1 Ų30.11%0.00719%0.19CC..Hα-helixtrans-62.6-39.6174.3-75.90000112.1L67 H85 V86 I92L67-C88 HydrophobicContact CB-CB 3.96Å; L67-C88 HydrophobicContact CD1-CB 3.73Å; H85-C88 HydrophobicContact CB-CB 3.92Å; H85-C88 WeakPolarHBondContact O-CB 3.48Å; H85-C88 PolarHBondContact O-N 3.23Å; V86-C88 PolarHBondContact O-N 2.65Å; C88-I92 WeakPolarHBondContact O-CG1 3.25Å; C88-I92 PolarHBondContact O-N 2.73Å
89A96.9Very high95.5Very high4 Ų433 Ų333%0.03321%0.205CC..Hα-helixtrans-67.7-35.9176.600000113.2H85 V86 V87 V95 F97 I106H85-A89 PolarHBondContact O-N 3.3Å; V86-A89 PolarHBondContact O-N 3.43Å; V87-A89 VanDerWaalsContact C-N 3.32Å; V87-A89 PolarHBondContact O-N 3.01Å; A89-V95 HydrophobicContact CB-CB 4.39Å; A89-V95 HydrophobicContact CB-CG1 3.49Å; A89-V95 VanDerWaalsContact CB-CG1 3.49Å; A89-F97 HydrophobicContact CB-CE1 3.85Å; A89-F97 HydrophobicContact CB-CE2 4.15Å; A89-F97 HydrophobicContact CB-CZ 3.48Å; A89-F97 VanDerWaalsContact CB-CZ 3.48Å; A89-I106 HydrophobicContact CB-CD1 4.01Å; A89-I106 HydrophobicContact CB-CG1 4.24Å; A89-I106 HydrophobicContact CB-CG2 3.95Å
90L95.6Very high95.4Very high36 Ų3634.5 Ų34.519%0.18822%0.217CC..Hα-helixtrans-69.6-33.8177.8-72.4167.2000113.6V10 V86 V87 F97 M103 Y173V10-L90 HydrophobicContact CG1-CD1 3.63Å; V86-L90 HydrophobicContact CG1-CD1 4.22Å; V86-L90 WeakPolarHBondContact O-CG 3.44Å; V86-L90 PolarHBondContact O-N 2.91Å; V87-L90 PolarHBondContact O-N 3.1Å; L90-F97 HydrophobicContact CD2-CE2 4.02Å; L90-F97 HydrophobicContact CD2-CZ 4.37Å; L90-F97 HydrophobicContact CG-CE2 4.38Å; L90-F97 HydrophobicContact CG-CZ 4.3Å; L90-M103 HydrophobicContact CD1-CE 4.36Å; L90-M103 HydrophobicContact CD2-CE 4.11Å; L90-M103 HydrophobicContact CG-CE 4.43Å; L90-Y173 HydrophobicContact CB-CD1 4.47Å; L90-Y173 HydrophobicContact CB-CD2 4.47Å; L90-Y173 HydrophobicContact CB-CG 4.34Å; L90-Y173 HydrophobicContact CD2-CD2 4.45Å; L90-Y173 HydrophobicContact CD2-CE2 4.01Å; L90-Y173 VanDerWaalsContact O-CB 3.26Å; L90-Y173 WeakPolarHBondContact O-CB 3.44Å
91Y96.3Very high95.4Very high11 Ų1136.6 Ų36.64%0.04322%0.222CC..Hα-helixtrans-104.3-2.7-171.2-77.5-93.6000115.1V87 M138 V151 L160 Y173 C174V87-Y91 HydrophobicContact CG2-CD2 3.81Å; V87-Y91 HydrophobicContact CG2-CE2 3.91Å; V87-Y91 WeakPolarHBondContact O-CD2 3.36Å; V87-Y91 PolarHBondContact O-N 3.31Å; Y91-M138 HydrophobicContact CD1-CE 4.06Å; Y91-V151 HydrophobicContact CD2-CG1 3.99Å; Y91-V151 HydrophobicContact CG-CG1 3.91Å; Y91-L160 HydrophobicContact CD1-CB 4.45Å; Y91-L160 HydrophobicContact CD1-CD1 4.33Å; Y91-L160 HydrophobicContact CD1-CD2 3.78Å; Y91-L160 HydrophobicContact CD1-CG 4.41Å; Y91-L160 HydrophobicContact CD2-CD1 4.18Å; Y91-L160 HydrophobicContact CE1-CB 3.75Å; Y91-L160 HydrophobicContact CE1-CD1 4.13Å; Y91-L160 HydrophobicContact CE1-CD2 3.96Å; Y91-L160 HydrophobicContact CE1-CG 4.15Å; Y91-L160 HydrophobicContact CE2-CD1 3.98Å; Y91-L160 HydrophobicContact CG-CD1 4.35Å; Y91-L160 HydrophobicContact CG-CD2 4.28Å; Y91-Y173 HydrophobicContact CD2-CD1 4.44Å; Y91-Y173 HydrophobicContact CE1-CD1 4.32Å; Y91-Y173 AromaticContact CE2-CD1 3.85Å; Y91-Y173 HydrophobicContact CE2-CD1 3.85Å; Y91-Y173 HydrophobicContact CE2-CG 4.43Å; Y91-Y173 AromaticContact CZ-CD1 3.79Å; Y91-C174 WeakPolarHBondContact CD1-O 3.48Å; Y91-C174 VanDerWaalsContact CE1-O 3.24Å; Y91-C174 WeakPolarHBondContact CE1-O 2.89Å
92I96.3Very high95.6Very high1 Ų135.7 Ų35.71%0.00521%0.207CC..SBendtrans-102108.5168.7-63.8176.3000107.4L67 C88 E94 V95 V111 A136 V151L67-I92 HydrophobicContact CB-CD1 4.36Å; L67-I92 HydrophobicContact CD1-CD1 4.29Å; L67-I92 HydrophobicContact CD2-CD1 4.33Å; C88-I92 WeakPolarHBondContact O-CG1 3.25Å; C88-I92 PolarHBondContact O-N 2.73Å; I92-E94 WeakPolarHBondContact CG2-OE2 3.4Å; I92-E94 PolarHBondContact O-N 2.9Å; I92-V95 HydrophobicContact CB-CG2 3.86Å; I92-V95 HydrophobicContact CG2-CG2 3.79Å; I92-V95 PolarHBondContact O-N 2.99Å; I92-V111 HydrophobicContact CG2-CG1 4.45Å; I92-A136 HydrophobicContact CD1-CB 3.82Å; I92-V151 HydrophobicContact CD1-CG2 4.34Å; I92-V151 HydrophobicContact CG1-CG2 3.89Å
93P92.7Very high95.6Very high97 Ų9735.5 Ų35.563%0.6320%0.2SC*.THydrogen-bonded Turntrans-61-18.7-167.1-26.335.2000116
94E95.6Very high95.5Very high50 Ų5037.2 Ų37.223%0.23421%0.209CC..THydrogen-bonded Turntrans-95.3-6-178.2-52.487.2-174.800113.6I92 Y110 P112 R115I92-E94 WeakPolarHBondContact CG2-OE2 3.4Å; I92-E94 PolarHBondContact O-N 2.9Å; E94-Y110 WeakPolarHBondContact O-CB 3.26Å; E94-P112 HydrophobicContact CG-CG 4.02Å; E94-R115 IonicContact OE1-CZ 2.9Å; E94-R115 IonicContact OE1-NE 3.48Å; E94-R115 PolarHBondContact OE1-NE 3.48Å; E94-R115 IonicContact OE1-NH2 3.43Å; E94-R115 PolarHBondContact OE1-NH2 3.07Å; E94-R115 IonicContact OE2-CZ 2.65Å; E94-R115 IonicContact OE2-NE 3.97Å; E94-R115 PolarHBondContact OE2-NE 3.25Å; E94-R115 IonicContact OE2-NH2 3.44Å; E94-R115 PolarHBondContact OE2-NH2 3.19Å
95V96.6Very high95.4Very high12 Ų1240 Ų407%0.07323%0.227CC..  trans-81.9142.8171.8179.30000109.5L67 A89 I92 I106 L108 V111L67-V95 HydrophobicContact CD1-CG2 4.09Å; A89-V95 HydrophobicContact CB-CB 4.39Å; A89-V95 HydrophobicContact CB-CG1 3.49Å; A89-V95 VanDerWaalsContact CB-CG1 3.49Å; I92-V95 HydrophobicContact CB-CG2 3.86Å; I92-V95 HydrophobicContact CG2-CG2 3.79Å; I92-V95 PolarHBondContact O-N 2.99Å; V95-I106 HydrophobicContact CG1-CG2 3.46Å; V95-I106 VanDerWaalsContact CG1-CG2 3.46Å; V95-L108 HydrophobicContact CG1-CD2 4.02Å; V95-L108 HydrophobicContact CG2-CD2 4.07Å; V95-V111 HydrophobicContact CG2-CG2 3.44Å; V95-V111 VanDerWaalsContact CG2-CG2 3.44Å
96Q95.3Very high95.4Very high100 Ų10039.9 Ų39.947%0.46723%0.226SC..EExtended strand (participates in β ladder)trans-127167.5178-63.5-178.1-10.700111.4I107Q96-I107 HydrophobicContact CB-CB 4.2Å; Q96-I107 HydrophobicContact CB-CD1 4.47Å; Q96-I107 PolarHBondContact N-O 2.8Å; Q96-I107 PolarHBondContact O-N 3.04Å
97F96.3Very high95.4Very high34 Ų3441.2 Ų41.215%0.14923%0.233CC..EExtended strand (participates in β ladder)trans-112.2131.2167.1-60-86.3000108.1V86 A89 L90 N99 M103 I106V86-F97 HydrophobicContact CG1-CE1 4.23Å; V86-F97 HydrophobicContact CG1-CZ 4.05Å; A89-F97 HydrophobicContact CB-CE1 3.85Å; A89-F97 HydrophobicContact CB-CE2 4.15Å; A89-F97 HydrophobicContact CB-CZ 3.48Å; A89-F97 VanDerWaalsContact CB-CZ 3.48Å; L90-F97 HydrophobicContact CD2-CE2 4.02Å; L90-F97 HydrophobicContact CD2-CZ 4.37Å; L90-F97 HydrophobicContact CG-CE2 4.38Å; L90-F97 HydrophobicContact CG-CZ 4.3Å; F97-N99 PolarHBondContact O-N 3.35Å; F97-M103 HydrophobicContact CD1-CB 3.95Å; F97-M103 WeakPolarHBondContact CD1-O 3.41Å; F97-M103 HydrophobicContact CE1-CB 3.99Å; F97-M103 HydrophobicContact CE1-CE 4.25Å; F97-M103 HydrophobicContact CE2-CE 4.11Å; F97-M103 HydrophobicContact CZ-CE 3.79Å; F97-I106 HydrophobicContact CD1-CG1 3.85Å; F97-I106 HydrophobicContact CE1-CD1 4.22Å; F97-I106 HydrophobicContact CE1-CG1 3.73Å
98A94.9Very high95.4Very high62 Ų6241.8 Ų41.851%0.51224%0.236SC..SBendtrans-63.4-28177.700000112.4P105 I107A98-P105 HydrophobicContact CB-CG 3.81Å; A98-P105 PolarHBondContact N-O 3.22Å; A98-I107 HydrophobicContact CB-CD1 3.88Å; A98-I107 HydrophobicContact CB-CG1 4.15Å
99N94.3Very high95.2Very high68 Ų6848.3 Ų48.336%0.36427%0.266SS..  trans-137.5123.2169.2178.4-13.8000108.9F97 L101 T102 M103F97-N99 PolarHBondContact O-N 3.35Å; N99-L101 WeakPolarHBondContact OD1-CB 3.21Å; N99-L101 PolarHBondContact OD1-N 3.2Å; N99-T102 WeakPolarHBondContact CB-OG1 3.35Å; N99-T102 VanDerWaalsContact CG-OG1 3.27Å; N99-T102 PolarHBondContact ND2-OG1 2.89Å; N99-T102 PolarHBondContact OD1-N 2.86Å; N99-M103 VanDerWaalsContact O-CA 3.27Å; N99-M103 WeakPolarHBondContact O-CA 3.32Å; N99-M103 PolarHBondContact O-N 3.29Å
100V92.8Very high95.1Very high99 Ų9954 Ų5460%0.629%0.288SS*.THydrogen-bonded Turntrans-76.3-27.9-176.4-174.70000112.2M103 I416V100-M103 WeakPolarHBondContact O-CG 3.4Å; V100-I416 HydrophobicContact CB-CD1 4.37Å; V100-I416 HydrophobicContact CG1-CD1 3.98Å
101L92.3Very high95.1Very high115 Ų11553 Ų5360%0.60228%0.283SS*.THydrogen-bonded Turntrans-72-42.5178.1-69.4165000111.9G40 N99 I416G40-L101 WeakPolarHBondContact CA-O 3.34Å; N99-L101 WeakPolarHBondContact OD1-CB 3.21Å; N99-L101 PolarHBondContact OD1-N 3.2Å; L101-I416 HydrophobicContact CD2-CD1 3.56Å; L101-I416 HydrophobicContact CD2-CG1 4.04Å; L101-I416 HydrophobicContact CG-CD1 4.03Å
102T94.6Very high95.1Very high27 Ų2754.7 Ų54.717%0.16630%0.296CS..THydrogen-bonded Turntrans-90.5-13178.659.40000113G40 V42 K76 N99 E104G40-T102 WeakPolarHBondContact O-CA 3.34Å; V42-T102 HydrophobicContact CG2-CG2 3.89Å; K76-T102 PolarHBondContact NZ-O 3.45Å; N99-T102 WeakPolarHBondContact CB-OG1 3.35Å; N99-T102 VanDerWaalsContact CG-OG1 3.27Å; N99-T102 PolarHBondContact ND2-OG1 2.89Å; N99-T102 PolarHBondContact OD1-N 2.86Å; T102-E104 PolarHBondContact O-N 2.72Å; T102-E104 PolarHBondContact OG1-O 3.05Å
103M95.3Very high95Very high17 Ų1760.6 Ų60.68%0.08432%0.323CS..THydrogen-bonded Turntrans51.136.3-174.5-52.8-174.483.600112.9K76 V86 L90 F97 N99 V100K76-M103 PolarHBondContact NZ-O 3.2Å; V86-M103 HydrophobicContact CG1-CE 3.48Å; V86-M103 VanDerWaalsContact CG1-CE 3.48Å; V86-M103 HydrophobicContact CG1-SD 4.16Å; L90-M103 HydrophobicContact CD1-CE 4.36Å; L90-M103 HydrophobicContact CD2-CE 4.11Å; L90-M103 HydrophobicContact CG-CE 4.43Å; F97-M103 HydrophobicContact CD1-CB 3.95Å; F97-M103 WeakPolarHBondContact CD1-O 3.41Å; F97-M103 HydrophobicContact CE1-CB 3.99Å; F97-M103 HydrophobicContact CE1-CE 4.25Å; F97-M103 HydrophobicContact CE2-CE 4.11Å; F97-M103 HydrophobicContact CZ-CE 3.79Å; N99-M103 VanDerWaalsContact O-CA 3.27Å; N99-M103 WeakPolarHBondContact O-CA 3.32Å; N99-M103 PolarHBondContact O-N 3.29Å; V100-M103 WeakPolarHBondContact O-CG 3.4Å
104E93.3Very high95.1Very high41 Ų4161.7 Ų61.719%0.19232%0.32CS..  trans-158.9150.5179.265.5-165.5-169.500112.4R52 K76 T102R52-E104 IonicContact CZ-OE1 3.35Å; R52-E104 IonicContact CZ-OE2 3.6Å; R52-E104 IonicContact NE-OE1 3.36Å; R52-E104 PolarHBondContact NE-OE1 2.99Å; R52-E104 IonicContact NE-OE2 2.73Å; R52-E104 PolarHBondContact NE-OE2 2.9Å; R52-E104 IonicContact NH2-OE1 3.15Å; R52-E104 PolarHBondContact NH2-OE1 3.33Å; R52-E104 IonicContact NH2-OE2 3.58Å; K76-E104 HydrophobicContact CB-CB 4.44Å; K76-E104 HydrophobicContact CD-CB 4.23Å; K76-E104 VanDerWaalsContact CD-OE2 3.28Å; K76-E104 WeakPolarHBondContact CD-OE2 3.45Å; K76-E104 VanDerWaalsContact CE-OE2 3.27Å; K76-E104 WeakPolarHBondContact CE-OE2 3.42Å; K76-E104 HydrophobicContact CG-CB 4.47Å; K76-E104 IonicContact NZ-OE2 3.31Å; K76-E104 PolarHBondContact NZ-OE2 2.95Å; T102-E104 PolarHBondContact O-N 2.72Å; T102-E104 PolarHBondContact OG1-O 3.05Å
105P95.4Very high95.1Very high59 Ų5961 Ų6138%0.38332%0.315SS..SBendcis-64.7162.6-16.527.5-36.5000113.3R77 A98R77-P105 WeakPolarHBondContact O-CA 3.38Å; A98-P105 HydrophobicContact CB-CG 3.81Å; A98-P105 PolarHBondContact N-O 3.22Å
106I97.9Very high95.1Very high0 Ų063.5 Ų63.50%032%0.324CS..EExtended strand (participates in β ladder)trans-84.2129.4170.9-66.2172000108.6K76 R77 T78 D79 A84 A89 V95 F97 L108K76-I106 HydrophobicContact CB-CD1 3.82Å; K76-I106 HydrophobicContact CB-CG1 4.17Å; R77-I106 PolarHBondContact O-N 3.36Å; T78-I106 CarbonylContact C-O 3.42Å; T78-I106 WeakPolarHBondContact CA-O 3.27Å; T78-I106 HydrophobicContact CG2-CB 4.12Å; T78-I106 HydrophobicContact CG2-CG2 4.3Å; D79-I106 PolarHBondContact N-O 3.06Å; A84-I106 HydrophobicContact CB-CB 4.47Å; A84-I106 HydrophobicContact CB-CD1 3.76Å; A84-I106 HydrophobicContact CB-CG2 4.11Å; A89-I106 HydrophobicContact CB-CD1 4.01Å; A89-I106 HydrophobicContact CB-CG1 4.24Å; A89-I106 HydrophobicContact CB-CG2 3.95Å; V95-I106 HydrophobicContact CG1-CG2 3.46Å; V95-I106 VanDerWaalsContact CG1-CG2 3.46Å; F97-I106 HydrophobicContact CD1-CG1 3.85Å; F97-I106 HydrophobicContact CE1-CD1 4.22Å; F97-I106 HydrophobicContact CE1-CG1 3.73Å; I106-L108 HydrophobicContact CG2-CD2 3.71Å; I106-L108 HydrophobicContact CG2-CG 4.49Å
107I97Very high95Very high28 Ų2864.3 Ų64.314%0.14433%0.33CS..EExtended strand (participates in β ladder)trans-97.6117.9-179-59.6175.6000109.4D79 Q96 A98 Q109 Y110D79-I107 WeakPolarHBondContact OD2-CG2 3.26Å; Q96-I107 HydrophobicContact CB-CB 4.2Å; Q96-I107 HydrophobicContact CB-CD1 4.47Å; Q96-I107 PolarHBondContact N-O 2.8Å; Q96-I107 PolarHBondContact O-N 3.04Å; A98-I107 HydrophobicContact CB-CD1 3.88Å; A98-I107 HydrophobicContact CB-CG1 4.15Å; I107-Q109 HydrophobicContact CG2-CG 3.76Å; I107-Y110 HydrophobicContact CG2-CD2 3.79Å; I107-Y110 HydrophobicContact CG2-CE2 3.78Å
108L96.3Very high95Very high15 Ų1566.4 Ų66.48%0.07934%0.339CS..  trans-104.2-14.2179.6-58.2-167.3000113.9E66 L67 T78 D79 V95 I106 Y110 V111E66-L108 HydrophobicContact CB-CD1 4.13Å; L67-L108 HydrophobicContact CD1-CD2 3.89Å; L67-L108 HydrophobicContact CD2-CD1 4.37Å; L67-L108 HydrophobicContact CD2-CD2 4.05Å; L67-L108 HydrophobicContact CG-CD2 4.22Å; T78-L108 HydrophobicContact CG2-CD1 3.67Å; T78-L108 HydrophobicContact CG2-CD2 4.39Å; T78-L108 HydrophobicContact CG2-CG 3.85Å; D79-L108 WeakPolarHBondContact OD1-CB 3.23Å; D79-L108 PolarHBondContact OD1-N 3.02Å; D79-L108 PolarHBondContact OD2-N 2.96Å; V95-L108 HydrophobicContact CG1-CD2 4.02Å; V95-L108 HydrophobicContact CG2-CD2 4.07Å; I106-L108 HydrophobicContact CG2-CD2 3.71Å; I106-L108 HydrophobicContact CG2-CG 4.49Å; L108-Y110 PolarHBondContact O-N 3.36Å; L108-V111 WeakPolarHBondContact O-CG2 3.33Å; L108-V111 PolarHBondContact O-N 3.35Å
109Q94.3Very high95.1Very high138 Ų13867.1 Ų67.165%0.64534%0.338SS*.THydrogen-bonded Turntrans-56.1-21-175.271.8167.5112.400115.4D79 I107D79-Q109 PolarHBondContact OD2-N 3.44Å; I107-Q109 HydrophobicContact CG2-CG 3.76Å
110Y94.9Very high95.2Very high124 Ų12463.9 Ų63.949%0.48632%0.32SS..THydrogen-bonded Turntrans-94.2-4.8-177.3-58.2-59.1000114.1E94 I107 L108 P112E94-Y110 WeakPolarHBondContact O-CB 3.26Å; I107-Y110 HydrophobicContact CG2-CD2 3.79Å; I107-Y110 HydrophobicContact CG2-CE2 3.78Å; L108-Y110 PolarHBondContact O-N 3.36Å; Y110-P112 VanDerWaalsContact O-CD 3.26Å; Y110-P112 WeakPolarHBondContact O-CD 3.49Å
111V96Very high95.4Very high14 Ų1460.2 Ų60.29%0.08530%0.296CS..SBendtrans-73.6116-177.2-176.40000110.5I92 V95 L108 R115 Y116 A136I92-V111 HydrophobicContact CG2-CG1 4.45Å; V95-V111 HydrophobicContact CG2-CG2 3.44Å; V95-V111 VanDerWaalsContact CG2-CG2 3.44Å; L108-V111 WeakPolarHBondContact O-CG2 3.33Å; L108-V111 PolarHBondContact O-N 3.35Å; V111-R115 HydrophobicContact CG1-CB 3.89Å; V111-R115 HydrophobicContact CG1-CG 3.98Å; V111-Y116 HydrophobicContact CB-CE2 3.88Å; V111-Y116 HydrophobicContact CG1-CD2 4.26Å; V111-Y116 HydrophobicContact CG1-CE2 3.45Å; V111-Y116 VanDerWaalsContact CG1-CE2 3.45Å; V111-A136 HydrophobicContact CG1-CB 4.48Å
112P95.6Very high95.6Very high48 Ų4855 Ų5531%0.31227%0.268SS..  trans-63.1143.7-176.4-22.733.8000112.3E94 Y110 E114 R115E94-P112 HydrophobicContact CG-CG 4.02Å; Y110-P112 VanDerWaalsContact O-CD 3.26Å; Y110-P112 WeakPolarHBondContact O-CD 3.49Å; P112-E114 WeakPolarHBondContact CB-OE2 3.41Å; P112-E114 PolarHBondContact O-N 2.69Å; P112-E114 VanDerWaalsContact O-N 3.1Å; P112-R115 VanDerWaalsContact O-CB 3.27Å; P112-R115 WeakPolarHBondContact O-CB 3.45Å; P112-R115 PolarHBondContact O-N 3.11Å
113H93.8Very high95.8Very high124 Ų12453.7 Ų53.757%0.57426%0.26SS*.Hα-helixtrans-60.5-27.8-177.2-165.461.4000112.3R115 Y116 L117H113-R115 PolarHBondContact O-N 3.48Å; H113-R115 VanDerWaalsContact O-N 3.13Å; H113-Y116 PolarHBondContact O-N 3.23Å; H113-L117 PolarHBondContact O-N 3.41Å
114E94.9Very high95.8Very high120 Ų12057.8 Ų57.856%0.56128%0.279SS*.Hα-helixtrans-60.8-18.8173.5-60.478-174.800113.9P112 K118P112-E114 WeakPolarHBondContact CB-OE2 3.41Å; P112-E114 PolarHBondContact O-N 2.69Å; P112-E114 VanDerWaalsContact O-N 3.1Å; E114-K118 VanDerWaalsContact O-CG 3.23Å; E114-K118 WeakPolarHBondContact O-CG 3.45Å; E114-K118 PolarHBondContact O-NZ 2.75Å
115R95.6Very high95.9Very high35 Ų3560.3 Ų60.313%0.13229%0.294CS..Hα-helixtrans-74-37171.9-69.8-75.5-175.9-149.5-5.1112E94 V111 P112 H113 A136 C137 T139E94-R115 IonicContact OE1-CZ 2.9Å; E94-R115 IonicContact OE1-NE 3.48Å; E94-R115 PolarHBondContact OE1-NE 3.48Å; E94-R115 IonicContact OE1-NH2 3.43Å; E94-R115 PolarHBondContact OE1-NH2 3.07Å; E94-R115 IonicContact OE2-CZ 2.65Å; E94-R115 IonicContact OE2-NE 3.97Å; E94-R115 PolarHBondContact OE2-NE 3.25Å; E94-R115 IonicContact OE2-NH2 3.44Å; E94-R115 PolarHBondContact OE2-NH2 3.19Å; V111-R115 HydrophobicContact CG1-CB 3.89Å; V111-R115 HydrophobicContact CG1-CG 3.98Å; P112-R115 VanDerWaalsContact O-CB 3.27Å; P112-R115 WeakPolarHBondContact O-CB 3.45Å; P112-R115 PolarHBondContact O-N 3.11Å; H113-R115 PolarHBondContact O-N 3.48Å; H113-R115 VanDerWaalsContact O-N 3.13Å; R115-A136 HydrophobicContact CB-CB 4.19Å; R115-C137 VanDerWaalsContact CD-O 3.26Å; R115-C137 WeakPolarHBondContact CD-O 3.43Å; R115-C137 PolarHBondContact O-N 3.29Å; R115-T139 PolarHBondContact NH1-OG1 3.49Å
116Y95.6Very high95.8Very high66 Ų6663.3 Ų63.326%0.25930%0.303SS..Hα-helixtrans-78.8-33.1178.9-61.7-86.7000111.7L67 V111 H113 K118 G135 A136L67-Y116 HydrophobicContact CD2-CE1 4.33Å; V111-Y116 HydrophobicContact CB-CE2 3.88Å; V111-Y116 HydrophobicContact CG1-CD2 4.26Å; V111-Y116 HydrophobicContact CG1-CE2 3.45Å; V111-Y116 VanDerWaalsContact CG1-CE2 3.45Å; H113-Y116 PolarHBondContact O-N 3.23Å; Y116-K118 PolarHBondContact O-N 2.99Å; Y116-G135 WeakPolarHBondContact CA-O 3.08Å; Y116-G135 WeakPolarHBondContact CD1-O 3.31Å; Y116-A136 HydrophobicContact CD1-CB 3.98Å; Y116-A136 HydrophobicContact CE1-CB 3.84Å; Y116-A136 HydrophobicContact CG-CB 4.44Å
117L94.8Very high95.6Very high117 Ų11766.2 Ų66.261%0.61333%0.333SS*.THydrogen-bonded Turntrans-75.225.6174.3-62.7177.2000114.6H113H113-L117 PolarHBondContact O-N 3.41Å
118K95.6Very high95.5Very high78 Ų7868.2 Ų68.234%0.33934%0.339SS..  trans-117.9128.8177.8-65.2-63.5171.2-73.50110.6E114 Y116 C137 A148E114-K118 VanDerWaalsContact O-CG 3.23Å; E114-K118 WeakPolarHBondContact O-CG 3.45Å; E114-K118 PolarHBondContact O-NZ 2.75Å; Y116-K118 PolarHBondContact O-N 2.99Å; K118-C137 HydrophobicContact CB-CB 3.81Å; K118-C137 PolarHBondContact O-SG 2.76Å; K118-A148 HydrophobicContact CB-CB 3.88Å; K118-A148 HydrophobicContact CD-CB 4.49Å; K118-A148 HydrophobicContact CG-CB 4.23Å
119T96.4Very high95.3Very high77 Ų7774.5 Ų74.547%0.47237%0.368SS..  trans-70.3134.8167.251.50000110.5Y121 A132 A133T119-Y121 PolarHBondContact O-N 2.84Å; T119-A132 CarbonylContact C-O 3.57Å; T119-A132 WeakPolarHBondContact CA-O 3.49Å; T119-A133 HydrophobicContact CG2-CB 4.4Å
120C97.8Very high95.2Very high0 Ų073.1 Ų73.10%037%0.373CS..  trans-80107.5168.8172.50000109.9I122 C123 E124 A132 A148 F149 H150C120-I122 PolarHBondContact O-N 3.29Å; C120-C123 HydrophobicContact CB-CB 4.18Å; C120-C123 PolarHBondContact O-N 3.26Å; C120-C123 PolarHBondContact SG-N 2.91Å; C120-C123 VanDerWaalsContact SG-N 3.4Å; C120-E124 PolarHBondContact O-N 2.95Å; C120-E124 VanDerWaalsContact O-N 3.08Å; C120-A132 PolarHBondContact N-O 3.5Å; C120-A148 WeakPolarHBondContact CA-O 3.44Å; C120-F149 VanDerWaalsContact SG-CA 3.55Å; C120-H150 WeakPolarHBondContact CB-CE1 3.39Å; C120-H150 VanDerWaalsContact CB-ND1 3.26Å; C120-H150 WeakPolarHBondContact CB-ND1 3.37Å; C120-H150 PolarHBondContact SG-N 2.86Å; C120-H150 VanDerWaalsContact SG-N 3.4Å; C120-H150 PolarHBondContact SG-ND1 2.98Å; C120-H150 VanDerWaalsContact SG-ND1 3.41Å
121Y96.9Very high95.2Very high22 Ų2271.9 Ų71.99%0.08637%0.37CS..Hα-helixtrans-58.2-26178.791.2-96.7000112.2T119 E124 D125 Q147 A148 F149 C177 K178T119-Y121 PolarHBondContact O-N 2.84Å; Y121-E124 PolarHBondContact O-N 2.6Å; Y121-D125 WeakPolarHBondContact CD2-OD2 3.24Å; Y121-D125 WeakPolarHBondContact CE2-OD2 3.49Å; Y121-D125 VanDerWaalsContact O-CB 3.29Å; Y121-D125 WeakPolarHBondContact O-CB 3.48Å; Y121-D125 PolarHBondContact O-N 3.16Å; Y121-Q147 VanDerWaalsContact CB-OE1 3.27Å; Y121-Q147 HydrophobicContact CD1-CB 4.17Å; Y121-Q147 VanDerWaalsContact CD1-OE1 3.29Å; Y121-Q147 HydrophobicContact CE1-CB 4.37Å; Y121-A148 WeakPolarHBondContact CD1-O 3.18Å; Y121-A148 PolarHBondContact N-O 3.26Å; Y121-F149 HydrophobicContact CD1-CB 4.32Å; Y121-F149 AromaticContact CD1-CD1 3.93Å; Y121-F149 HydrophobicContact CD1-CD1 3.93Å; Y121-F149 HydrophobicContact CE1-CB 4.31Å; Y121-F149 AromaticContact CE1-CD1 3.54Å; Y121-F149 HydrophobicContact CE1-CD1 3.54Å; Y121-F149 HydrophobicContact CE1-CE1 4.21Å; Y121-F149 HydrophobicContact CE1-CG 4.23Å; Y121-C177 HydrophobicContact CE1-CB 3.72Å; Y121-K178 HydrophobicContact CE2-CD 4.21Å; Y121-K178 WeakPolarHBondContact OH-CG 3.28Å; Y121-K178 PolarHBondContact OH-N 3.48Å
122I96.8Very high95.2Very high4 Ų471.4 Ų71.42%0.02137%0.368CS..Hα-helixtrans-73-33.7176.7-54175.3000111C120 H126 F149 C153 A154 L159C120-I122 PolarHBondContact O-N 3.29Å; I122-H126 PolarHBondContact O-ND1 2.97Å; I122-F149 HydrophobicContact CD1-CB 3.8Å; I122-F149 HydrophobicContact CD1-CG 4.17Å; I122-F149 HydrophobicContact CG1-CB 4.06Å; I122-C153 HydrophobicContact CB-CB 3.99Å; I122-C153 HydrophobicContact CD1-CB 4.14Å; I122-C153 HydrophobicContact CG2-CB 3.95Å; I122-A154 HydrophobicContact CD1-CB 4.47Å; I122-L159 HydrophobicContact CD1-CD1 3.88Å
123C96.9Very high95.1Very high0 Ų072.3 Ų72.30%038%0.379CS..Hα-helixtrans-73.1-36.2172.3-77.40000111.7C120 H126 G127 R128 A132 C153C120-C123 HydrophobicContact CB-CB 4.18Å; C120-C123 PolarHBondContact O-N 3.26Å; C120-C123 PolarHBondContact SG-N 2.91Å; C120-C123 VanDerWaalsContact SG-N 3.4Å; C123-H126 PolarHBondContact O-N 3.27Å; C123-G127 PolarHBondContact O-N 3.02Å; C123-R128 HydrophobicContact CB-CB 4.44Å; C123-R128 WeakPolarHBondContact O-CA 3.27Å; C123-R128 WeakPolarHBondContact O-CB 3.27Å; C123-R128 PolarHBondContact O-N 3Å; C123-R128 PolarHBondContact SG-NH2 3.26Å; C123-A132 VanDerWaalsContact CB-CA 3.5Å; C123-A132 HydrophobicContact CB-CB 3.61Å; C123-C153 VanDerWaalsContact SG-SG 3.65Å
124E95.8Very high95.1Very high104 Ų10468.4 Ų68.449%0.48637%0.366SS..Hα-helixtrans-61.6-49.2173.8-158172.5170.800111.4C120 Y121 H126 G127C120-E124 PolarHBondContact O-N 2.95Å; C120-E124 VanDerWaalsContact O-N 3.08Å; Y121-E124 PolarHBondContact O-N 2.6Å; E124-H126 PolarHBondContact O-N 2.93Å; E124-G127 PolarHBondContact O-N 3.28Å
125D95.2Very high95.1Very high93 Ų9363.5 Ų63.550%0.49735%0.347SS..THydrogen-bonded Turntrans-50.9-26.8171.6-84.2-8.7000113.7Y121 K178Y121-D125 WeakPolarHBondContact CD2-OD2 3.24Å; Y121-D125 WeakPolarHBondContact CE2-OD2 3.49Å; Y121-D125 VanDerWaalsContact O-CB 3.29Å; Y121-D125 WeakPolarHBondContact O-CB 3.48Å; Y121-D125 PolarHBondContact O-N 3.16Å; D125-K178 IonicContact OD2-NZ 3.92Å; D125-K178 PolarHBondContact OD2-NZ 3.12Å
126H94.6Very high95.1Very high122 Ų12261.9 Ų61.957%0.56534%0.341SS*.THydrogen-bonded Turntrans-101.58.9-179.5-70.187.8000113.1I122 C123 E124 R128I122-H126 PolarHBondContact O-ND1 2.97Å; C123-H126 PolarHBondContact O-N 3.27Å; E124-H126 PolarHBondContact O-N 2.93Å; H126-R128 VanDerWaalsContact C-N 3.31Å; H126-R128 HydrophobicContact CB-CG 4.07Å; H126-R128 WeakPolarHBondContact O-CG 3.42Å; H126-R128 PolarHBondContact O-N 3.42Å
127G94Very high95.2Very high62 Ų6258.7 Ų58.764%0.63933%0.329SS*.THydrogen-bonded Turntrans68.126.1-177.400000114.1C123 E124C123-G127 PolarHBondContact O-N 3.02Å; E124-G127 PolarHBondContact O-N 3.28Å
128R93.9Very high95.3Very high70 Ų7053.4 Ų53.426%0.26430%0.301SS..  trans-111.652.9-175.5-50.8-175.6-53.2173.29.5111.2C123 H126 S130 K131 A132C123-R128 HydrophobicContact CB-CB 4.44Å; C123-R128 WeakPolarHBondContact O-CA 3.27Å; C123-R128 WeakPolarHBondContact O-CB 3.27Å; C123-R128 PolarHBondContact O-N 3Å; C123-R128 PolarHBondContact SG-NH2 3.26Å; H126-R128 VanDerWaalsContact C-N 3.31Å; H126-R128 HydrophobicContact CB-CG 4.07Å; H126-R128 WeakPolarHBondContact O-CG 3.42Å; H126-R128 PolarHBondContact O-N 3.42Å; R128-S130 VanDerWaalsContact C-N 3.35Å; R128-S130 PolarHBondContact O-N 2.99Å; R128-K131 HydrophobicContact CB-CB 4.18Å; R128-K131 HydrophobicContact CB-CD 4.41Å; R128-K131 CarbonylContact O-C 3.57Å; R128-K131 WeakPolarHBondContact O-CA 3.24Å; R128-K131 WeakPolarHBondContact O-CB 3.47Å; R128-K131 PolarHBondContact O-N 2.9Å; R128-A132 PolarHBondContact O-N 3.1Å
129E92.1Very high95.3Very high147 Ų14752.5 Ų52.569%0.68730%0.302SS*.Hα-helixtrans-52.9-45.9-173.9-63.9171-170.600113.2K131 A132 A133E129-K131 PolarHBondContact O-N 2.97Å; E129-K131 VanDerWaalsContact O-N 3.13Å; E129-A132 WeakPolarHBondContact O-CA 3.42Å; E129-A132 VanDerWaalsContact O-CB 3.29Å; E129-A132 WeakPolarHBondContact O-CB 3.46Å; E129-A132 PolarHBondContact O-N 3.02Å; E129-A133 PolarHBondContact O-N 3.04Å
130S92.7Very high95.2Very high109 Ų10949.2 Ų49.276%0.76228%0.282SS*.Hα-helixtrans-61.2-21.8175.758.90000114.2R128R128-S130 VanDerWaalsContact C-N 3.35Å; R128-S130 PolarHBondContact O-N 2.99Å
131K94.6Very high95.1Very high98 Ų9851.5 Ų51.543%0.42629%0.294SS..Hα-helixtrans-95-16.6171.8-67174.2-177.21680112.3P69 R128 E129 C134 H150P69-K131 HydrophobicContact CB-CB 3.86Å; P69-K131 HydrophobicContact CB-CD 4.23Å; P69-K131 HydrophobicContact CB-CG 4Å; P69-K131 HydrophobicContact CG-CB 4.14Å; R128-K131 HydrophobicContact CB-CB 4.18Å; R128-K131 HydrophobicContact CB-CD 4.41Å; R128-K131 CarbonylContact O-C 3.57Å; R128-K131 WeakPolarHBondContact O-CA 3.24Å; R128-K131 WeakPolarHBondContact O-CB 3.47Å; R128-K131 PolarHBondContact O-N 2.9Å; E129-K131 PolarHBondContact O-N 2.97Å; E129-K131 VanDerWaalsContact O-N 3.13Å; K131-C134 PolarHBondContact O-SG 3.17Å; K131-H150 PolarHBondContact O-CE1 3.43Å
132A95.5Very high95Very high3 Ų355.5 Ų55.53%0.02531%0.309CS..Hα-helixtrans-70.9-38177.800000112.2T119 C120 C123 R128 E129T119-A132 CarbonylContact C-O 3.57Å; T119-A132 WeakPolarHBondContact CA-O 3.49Å; C120-A132 PolarHBondContact N-O 3.5Å; C123-A132 VanDerWaalsContact CB-CA 3.5Å; C123-A132 HydrophobicContact CB-CB 3.61Å; R128-A132 PolarHBondContact O-N 3.1Å; E129-A132 WeakPolarHBondContact O-CA 3.42Å; E129-A132 VanDerWaalsContact O-CB 3.29Å; E129-A132 WeakPolarHBondContact O-CB 3.46Å; E129-A132 PolarHBondContact O-N 3.02Å
133A93.6Very high94.8Very high67 Ų6763 Ų6355%0.55434%0.344SS*.THydrogen-bonded Turntrans-94.216.2-179.500000114.8T119 E129T119-A133 HydrophobicContact CG2-CB 4.4Å; E129-A133 PolarHBondContact O-N 3.04Å
134C93.6Very high94.6Very high43 Ų4367 Ų6729%0.29139%0.386SS..SBendtrans-107.1149.4179.480.30000111.9K131 H150K131-C134 PolarHBondContact O-SG 3.17Å; C134-H150 PolarHBondContact O-NE2 2.9Å
135G94.8Very high94.6Very high17 Ų1763.4 Ų63.418%0.17537%0.371CS..SBendtrans64.5-158.4-178.500000113.4E66 Y116E66-G135 VanDerWaalsContact O-CA 3.28Å; E66-G135 WeakPolarHBondContact O-CA 3.41Å; Y116-G135 WeakPolarHBondContact CA-O 3.08Å; Y116-G135 WeakPolarHBondContact CD1-O 3.31Å
136A96.8Very high94.6Very high0 Ų070.3 Ų70.30%039%0.39CS..  trans-114.2132.3-172.900000112L67 I92 V111 R115 Y116L67-A136 HydrophobicContact CD2-CB 3.8Å; L67-A136 PolarHBondContact O-N 2.8Å; I92-A136 HydrophobicContact CD1-CB 3.82Å; V111-A136 HydrophobicContact CG1-CB 4.48Å; R115-A136 HydrophobicContact CB-CB 4.19Å; Y116-A136 HydrophobicContact CD1-CB 3.98Å; Y116-A136 HydrophobicContact CE1-CB 3.84Å; Y116-A136 HydrophobicContact CG-CB 4.44Å
137C96.9Very high94.7Very high0 Ų068.6 Ų68.60%038%0.383CS..  trans-99133.4176.4-68.70000112.9R115 K118 A148 F149R115-C137 VanDerWaalsContact CD-O 3.26Å; R115-C137 WeakPolarHBondContact CD-O 3.43Å; R115-C137 PolarHBondContact O-N 3.29Å; K118-C137 HydrophobicContact CB-CB 3.81Å; K118-C137 PolarHBondContact O-SG 2.76Å; C137-A148 HydrophobicContact CB-CB 3.99Å; C137-F149 CarbonylContact C-O 3.48Å; C137-F149 WeakPolarHBondContact CA-O 3.41Å
138M95.9Very high94.8Very high6 Ų666 Ų663%0.0336%0.355CS..EExtended strand (participates in β ladder)trans-74.4159.7160.373-179.2-54.200110.3Y91 A148 F149 V151 L160Y91-M138 HydrophobicContact CD1-CE 4.06Å; M138-A148 CarbonylContact O-C 3.54Å; M138-A148 VanDerWaalsContact O-CA 3.3Å; M138-A148 WeakPolarHBondContact O-CA 3.29Å; M138-F149 HydrophobicContact CE-CE2 4.41Å; M138-F149 HydrophobicContact CG-CD2 3.59Å; M138-F149 HydrophobicContact CG-CE2 3.48Å; M138-F149 VanDerWaalsContact CG-CE2 3.48Å; M138-F149 HydrophobicContact CG-CZ 4.28Å; M138-F149 WeakPolarHBondContact CG-O 3.49Å; M138-F149 PolarHBondContact N-O 2.82Å; M138-F149 PolarHBondContact O-N 3.03Å; M138-F149 HydrophobicContact SD-CD2 4.01Å; M138-F149 HydrophobicContact SD-CE2 3.56Å; M138-F149 VanDerWaalsContact SD-CE2 3.56Å; M138-V151 HydrophobicContact CB-CG2 4.41Å; M138-V151 HydrophobicContact CG-CG2 4.3Å; M138-V151 HydrophobicContact SD-CB 4.38Å; M138-V151 HydrophobicContact SD-CG2 3.86Å; M138-L160 HydrophobicContact CE-CD2 4.22Å; M138-L160 HydrophobicContact SD-CD2 3.65Å
139T95.6Very high95Very high59 Ų5962.6 Ų62.636%0.36234%0.342SS..EExtended strand (participates in β ladder)trans-114.9144.9-177.743.70000111R115 N141 A148R115-T139 PolarHBondContact NH1-OG1 3.49Å; T139-N141 PolarHBondContact O-N 3.22Å; T139-A148 HydrophobicContact CG2-CB 4.28Å
140C96.2Very high95.3Very high8 Ų855.6 Ų55.65%0.05431%0.309CS..  trans-57.4124.4179.9-177.90000112.6R142 C145 Q147 F149 G175 C177C140-R142 PolarHBondContact O-N 3.17Å; C140-C145 HydrophobicContact CB-CB 4.03Å; C140-Q147 PolarHBondContact N-O 2.8Å; C140-F149 HydrophobicContact CB-CE1 4.16Å; C140-G175 WeakPolarHBondContact CA-O 3.47Å; C140-C177 HydrophobicContact CB-CB 4.5Å; C140-C177 PolarHBondContact SG-N 3.04Å; C140-C177 VanDerWaalsContact SG-N 3.44Å
141N95Very high95.5Very high47 Ų4750.5 Ų50.525%0.25127%0.273SS..SBendtrans-62.9-6.5-179.7-173.840.3000114.3T139 Q143 E163 K172 C174 G175 Y176T139-N141 PolarHBondContact O-N 3.22Å; N141-Q143 PolarHBondContact O-N 2.95Å; N141-E163 PolarHBondContact ND2-OE1 3.47Å; N141-E163 PolarHBondContact ND2-OE2 2.91Å; N141-K172 PolarHBondContact ND2-NZ 3.34Å; N141-K172 PolarHBondContact OD1-NZ 2.86Å; N141-C174 HydrophobicContact CB-CB 4.02Å; N141-C174 PolarHBondContact ND2-SG 3.05Å; N141-G175 PolarHBondContact N-O 3.16Å; N141-Y176 HydrophobicContact CB-CD1 4.42Å; N141-Y176 HydrophobicContact CB-CE1 3.98Å; N141-Y176 HydrophobicContact CB-CE2 4.34Å; N141-Y176 PolarHBondContact ND2-OH 2.89Å
142R93.6Very high95.6Very high106 Ų10646.2 Ų46.240%0.426%0.255SS..SBendtrans-76.1110.3172.5-176.991.4-68.5-80.95.8110C140 G144 C145 Y176 H180C140-R142 PolarHBondContact O-N 3.17Å; R142-G144 PolarHBondContact O-N 3.43Å; R142-C145 HydrophobicContact CB-CB 4.1Å; R142-C145 WeakPolarHBondContact O-CB 3.2Å; R142-C145 PolarHBondContact O-N 3.29Å; R142-Y176 HydrophobicContact CB-CD1 4.34Å; R142-Y176 HydrophobicContact CB-CE1 4.32Å; R142-H180 HydrophobicContact CB-CB 4.27Å
143Q93.3Very high95.6Very high163 Ų16346.1 Ų46.176%0.76225%0.254SS*.THydrogen-bonded Turntrans-38.9128.4167.7-67.8171.7-15.900112.5N141 C145N141-Q143 PolarHBondContact O-N 2.95Å; Q143-C145 VanDerWaalsContact C-N 3.31Å; Q143-C145 PolarHBondContact O-N 3.12Å
144G93.3Very high95.7Very high84 Ų8442.9 Ų42.987%0.86623%0.228SC*.THydrogen-bonded Turntrans84.4-12-177.300000115.4R142R142-G144 PolarHBondContact O-N 3.43Å
145C96.3Very high95.8Very high27 Ų2743 Ų4318%0.18222%0.224CC..  trans-81.7133.1174.7-164.50000111C140 R142 Q143 H180C140-C145 HydrophobicContact CB-CB 4.03Å; R142-C145 HydrophobicContact CB-CB 4.1Å; R142-C145 WeakPolarHBondContact O-CB 3.2Å; R142-C145 PolarHBondContact O-N 3.29Å; Q143-C145 VanDerWaalsContact C-N 3.31Å; Q143-C145 PolarHBondContact O-N 3.12Å; C145-H180 VanDerWaalsContact SG-CE1 3.52Å; C145-H180 PolarHBondContact SG-ND1 2.91Å
146R94.4Very high95.7Very high238 Ų23847.8 Ų47.890%0.89824%0.244SC*.  trans-103.84.5176.4-63.6-174.5177.2-167.4-2113.9A148R146-A148 PolarHBondContact O-N 3.26Å
147Q96.4Very high95.5Very high87 Ų8749.9 Ų49.941%0.40726%0.26SS..  trans-67.6128.1-179-73.4-66.8-4.500111.2Y121 C140 C177Y121-Q147 VanDerWaalsContact CB-OE1 3.27Å; Y121-Q147 HydrophobicContact CD1-CB 4.17Å; Y121-Q147 VanDerWaalsContact CD1-OE1 3.29Å; Y121-Q147 HydrophobicContact CE1-CB 4.37Å; C140-Q147 PolarHBondContact N-O 2.8Å; Q147-C177 HydrophobicContact CB-CB 3.84Å; Q147-C177 HydrophobicContact CG-CB 4.27Å
148A96.9Very high95.3Very high6 Ų651.8 Ų51.85%0.0528%0.28CS..EExtended strand (participates in β ladder)trans-124.2147.6-175.500000111.2K118 C120 Y121 C137 M138 T139 R146K118-A148 HydrophobicContact CB-CB 3.88Å; K118-A148 HydrophobicContact CD-CB 4.49Å; K118-A148 HydrophobicContact CG-CB 4.23Å; C120-A148 WeakPolarHBondContact CA-O 3.44Å; Y121-A148 WeakPolarHBondContact CD1-O 3.18Å; Y121-A148 PolarHBondContact N-O 3.26Å; C137-A148 HydrophobicContact CB-CB 3.99Å; M138-A148 CarbonylContact O-C 3.54Å; M138-A148 VanDerWaalsContact O-CA 3.3Å; M138-A148 WeakPolarHBondContact O-CA 3.29Å; T139-A148 HydrophobicContact CG2-CB 4.28Å; R146-A148 PolarHBondContact O-N 3.26Å
149F97.7Very high95.3Very high0 Ų051.7 Ų51.70%028%0.28CS..EExtended strand (participates in β ladder)trans-161.5154.8-17443-90.2000112.7C120 Y121 I122 C137 M138 C140 A154 C177C120-F149 VanDerWaalsContact SG-CA 3.55Å; Y121-F149 HydrophobicContact CD1-CB 4.32Å; Y121-F149 AromaticContact CD1-CD1 3.93Å; Y121-F149 HydrophobicContact CD1-CD1 3.93Å; Y121-F149 HydrophobicContact CE1-CB 4.31Å; Y121-F149 AromaticContact CE1-CD1 3.54Å; Y121-F149 HydrophobicContact CE1-CD1 3.54Å; Y121-F149 HydrophobicContact CE1-CE1 4.21Å; Y121-F149 HydrophobicContact CE1-CG 4.23Å; I122-F149 HydrophobicContact CD1-CB 3.8Å; I122-F149 HydrophobicContact CD1-CG 4.17Å; I122-F149 HydrophobicContact CG1-CB 4.06Å; C137-F149 CarbonylContact C-O 3.48Å; C137-F149 WeakPolarHBondContact CA-O 3.41Å; M138-F149 HydrophobicContact CE-CE2 4.41Å; M138-F149 HydrophobicContact CG-CD2 3.59Å; M138-F149 HydrophobicContact CG-CE2 3.48Å; M138-F149 VanDerWaalsContact CG-CE2 3.48Å; M138-F149 HydrophobicContact CG-CZ 4.28Å; M138-F149 WeakPolarHBondContact CG-O 3.49Å; M138-F149 PolarHBondContact N-O 2.82Å; M138-F149 PolarHBondContact O-N 3.03Å; M138-F149 HydrophobicContact SD-CD2 4.01Å; M138-F149 HydrophobicContact SD-CE2 3.56Å; M138-F149 VanDerWaalsContact SD-CE2 3.56Å; C140-F149 HydrophobicContact CB-CE1 4.16Å; F149-A154 HydrophobicContact CD2-CB 3.47Å; F149-A154 VanDerWaalsContact CD2-CB 3.47Å; F149-A154 HydrophobicContact CE2-CB 3.56Å; F149-C177 HydrophobicContact CE1-CB 4.28Å
150H97.8Very high95.2Very high0 Ų050.1 Ų50.10%027%0.269CS..  trans-66.4144.8168.2-55109.2000110.9C68 P69 C120 K131 C134 T152 C153 A154C68-H150 HydrophobicContact CB-CB 3.98Å; P69-H150 WeakPolarHBondContact CD-ND1 3.36Å; C120-H150 WeakPolarHBondContact CB-CE1 3.39Å; C120-H150 VanDerWaalsContact CB-ND1 3.26Å; C120-H150 WeakPolarHBondContact CB-ND1 3.37Å; C120-H150 PolarHBondContact SG-N 2.86Å; C120-H150 VanDerWaalsContact SG-N 3.4Å; C120-H150 PolarHBondContact SG-ND1 2.98Å; C120-H150 VanDerWaalsContact SG-ND1 3.41Å; K131-H150 PolarHBondContact O-CE1 3.43Å; C134-H150 PolarHBondContact O-NE2 2.9Å; H150-T152 PolarHBondContact O-N 3.04Å; H150-C153 HydrophobicContact CB-CB 4.04Å; H150-C153 PolarHBondContact O-N 3.32Å; H150-C153 VanDerWaalsContact O-N 3.16Å; H150-A154 PolarHBondContact O-N 3.26Å
151V97.4Very high94.9Very high1 Ų151 Ų511%0.00628%0.275CS..Hα-helixtrans-54.8-50.4175.5-179.80000111.3V87 Y91 I92 M138 C153 A154 Q155 L160V87-V151 HydrophobicContact CG1-CG1 4.41Å; V87-V151 HydrophobicContact CG2-CG1 3.94Å; Y91-V151 HydrophobicContact CD2-CG1 3.99Å; Y91-V151 HydrophobicContact CG-CG1 3.91Å; I92-V151 HydrophobicContact CD1-CG2 4.34Å; I92-V151 HydrophobicContact CG1-CG2 3.89Å; M138-V151 HydrophobicContact CB-CG2 4.41Å; M138-V151 HydrophobicContact CG-CG2 4.3Å; M138-V151 HydrophobicContact SD-CB 4.38Å; M138-V151 HydrophobicContact SD-CG2 3.86Å; V151-C153 VanDerWaalsContact C-N 3.31Å; V151-C153 PolarHBondContact O-N 3.01Å; V151-A154 CarbonylContact O-C 3.58Å; V151-A154 WeakPolarHBondContact O-CA 3.38Å; V151-A154 PolarHBondContact O-N 2.65Å; V151-Q155 PolarHBondContact O-N 3.01Å; V151-L160 HydrophobicContact CG1-CD1 3.85Å; V151-L160 HydrophobicContact CG1-CD2 4.3Å
152T96.4Very high94.6Very high8 Ų852.5 Ų52.55%0.04928%0.281CS..Hα-helixtrans-63-33.7178.947.20000113.1C68 V87 H150 Q155 M156C68-T152 WeakPolarHBondContact CB-OG1 3.26Å; C68-T152 PolarHBondContact SG-OG1 3.38Å; V87-T152 HydrophobicContact CG1-CG2 4.11Å; H150-T152 PolarHBondContact O-N 3.04Å; T152-Q155 PolarHBondContact O-N 3.22Å; T152-M156 WeakPolarHBondContact O-CG 3.41Å; T152-M156 PolarHBondContact O-N 2.98Å; T152-M156 VanDerWaalsContact O-N 3.08Å
153C96.4Very high94.2Very high1 Ų149.9 Ų49.91%0.00727%0.273CS..Hα-helixtrans-68.5-33.1173.1-730000112.6I122 C123 H150 V151 A157I122-C153 HydrophobicContact CB-CB 3.99Å; I122-C153 HydrophobicContact CD1-CB 4.14Å; I122-C153 HydrophobicContact CG2-CB 3.95Å; C123-C153 VanDerWaalsContact SG-SG 3.65Å; H150-C153 HydrophobicContact CB-CB 4.04Å; H150-C153 PolarHBondContact O-N 3.32Å; H150-C153 VanDerWaalsContact O-N 3.16Å; V151-C153 VanDerWaalsContact C-N 3.31Å; V151-C153 PolarHBondContact O-N 3.01Å; C153-A157 VanDerWaalsContact O-CB 3.31Å; C153-A157 WeakPolarHBondContact O-CB 3.43Å; C153-A157 PolarHBondContact O-N 3.43Å
154A96.1Very high93.6Very high0 Ų051 Ų510%028%0.278CS..Hα-helixtrans-75.9-33.5170.800000113.1I122 F149 H150 V151 A157 G158 L159 L160I122-A154 HydrophobicContact CD1-CB 4.47Å; F149-A154 HydrophobicContact CD2-CB 3.47Å; F149-A154 VanDerWaalsContact CD2-CB 3.47Å; F149-A154 HydrophobicContact CE2-CB 3.56Å; H150-A154 PolarHBondContact O-N 3.26Å; V151-A154 CarbonylContact O-C 3.58Å; V151-A154 WeakPolarHBondContact O-CA 3.38Å; V151-A154 PolarHBondContact O-N 2.65Å; A154-A157 CarbonylContact O-C 3.58Å; A154-A157 PolarHBondContact O-N 3.35Å; A154-G158 PolarHBondContact O-N 2.89Å; A154-G158 VanDerWaalsContact O-N 3.09Å; A154-L159 HydrophobicContact CB-CB 3.89Å; A154-L159 PolarHBondContact O-N 2.9Å; A154-L160 HydrophobicContact CB-CD2 3.58Å; A154-L160 HydrophobicContact CB-CG 4.02Å
155Q94.6Very high92.5Very high44 Ų4448 Ų4821%0.20625%0.247CC..Hα-helixtrans-60.2-55.4175.9-167.3-176.814.100110.7C9 V151 T152 A157 G158 L160C9-Q155 PolarHBondContact O-NE2 2.75Å; V151-Q155 PolarHBondContact O-N 3.01Å; T152-Q155 PolarHBondContact O-N 3.22Å; Q155-A157 PolarHBondContact O-N 2.99Å; Q155-A157 VanDerWaalsContact O-N 3.14Å; Q155-G158 PolarHBondContact O-N 2.87Å; Q155-L160 HydrophobicContact CB-CD1 3.72Å; Q155-L160 HydrophobicContact CB-CG 4.47Å; Q155-L160 HydrophobicContact CG-CD1 4.14Å
156M91.9Very high90.9Very high119 Ų11953.8 Ų53.859%0.58628%0.284SS*.Hα-helixtrans-58.7-26.9175.8-65.1-176.4-5800113.4H70 T152H70-M156 WeakPolarHBondContact CE1-CE 3.47Å; H70-M156 PolarHBondContact CE1-SD 3.31Å; H70-M156 VanDerWaalsContact NE2-CE 3.35Å; H70-M156 WeakPolarHBondContact NE2-CE 3.14Å; T152-M156 WeakPolarHBondContact O-CG 3.41Å; T152-M156 PolarHBondContact O-N 2.98Å; T152-M156 VanDerWaalsContact O-N 3.08Å
157A93.4Very high89.4Confident43 Ų4348.9 Ų48.936%0.35527%0.271SS..THydrogen-bonded Turntrans-90.70.3179.600000113.9C153 A154 Q155 L159C153-A157 VanDerWaalsContact O-CB 3.31Å; C153-A157 WeakPolarHBondContact O-CB 3.43Å; C153-A157 PolarHBondContact O-N 3.43Å; A154-A157 CarbonylContact O-C 3.58Å; A154-A157 PolarHBondContact O-N 3.35Å; Q155-A157 PolarHBondContact O-N 2.99Å; Q155-A157 VanDerWaalsContact O-N 3.14Å; A157-L159 VanDerWaalsContact C-N 3.33Å; A157-L159 HydrophobicContact CB-CD1 3.69Å; A157-L159 HydrophobicContact CB-CG 3.72Å; A157-L159 PolarHBondContact O-N 3.35Å
158G93.1Very high87.5Confident40 Ų4049.7 Ų49.741%0.41229%0.293SS..THydrogen-bonded Turntrans66.729.6-177.600000114.2A154 Q155 Y181A154-G158 PolarHBondContact O-N 2.89Å; A154-G158 VanDerWaalsContact O-N 3.09Å; Q155-G158 PolarHBondContact O-N 2.87Å; G158-Y181 WeakPolarHBondContact O-CE1 3.4Å; G158-Y181 VanDerWaalsContact O-CE2 3.3Å; G158-Y181 WeakPolarHBondContact O-CE2 3.46Å; G158-Y181 PolarHBondContact O-OH 3.4Å
159L94.9Very high85.9Confident4 Ų454.8 Ų54.82%0.02132%0.319CS..  trans-105.2-4.1-169.5-65-178.3000114.9I122 A154 A157 G175 Y176 K178 Y181I122-L159 HydrophobicContact CD1-CD1 3.88Å; A154-L159 HydrophobicContact CB-CB 3.89Å; A154-L159 PolarHBondContact O-N 2.9Å; A157-L159 VanDerWaalsContact C-N 3.33Å; A157-L159 HydrophobicContact CB-CD1 3.69Å; A157-L159 HydrophobicContact CB-CG 3.72Å; A157-L159 PolarHBondContact O-N 3.35Å; L159-G175 WeakPolarHBondContact O-CA 3.27Å; L159-Y176 WeakPolarHBondContact CB-O 3.21Å; L159-Y176 PolarHBondContact O-N 3.29Å; L159-K178 HydrophobicContact CD1-CG 3.97Å; L159-K178 HydrophobicContact CD2-CG 4.39Å; L159-Y181 HydrophobicContact CD2-CD1 3.98Å; L159-Y181 HydrophobicContact CD2-CD2 4.41Å; L159-Y181 HydrophobicContact CD2-CG 3.78Å
160L93.9Very high84.9Confident27 Ų2759 Ų5914%0.14134%0.342CS..EExtended strand (participates in β ladder)trans-80.9152.1174.4-61.3-176.1000111V87 Y91 M138 V151 A154 Q155V87-L160 HydrophobicContact CG2-CD1 4.31Å; Y91-L160 HydrophobicContact CD1-CB 4.45Å; Y91-L160 HydrophobicContact CD1-CD1 4.33Å; Y91-L160 HydrophobicContact CD1-CD2 3.78Å; Y91-L160 HydrophobicContact CD1-CG 4.41Å; Y91-L160 HydrophobicContact CD2-CD1 4.18Å; Y91-L160 HydrophobicContact CE1-CB 3.75Å; Y91-L160 HydrophobicContact CE1-CD1 4.13Å; Y91-L160 HydrophobicContact CE1-CD2 3.96Å; Y91-L160 HydrophobicContact CE1-CG 4.15Å; Y91-L160 HydrophobicContact CE2-CD1 3.98Å; Y91-L160 HydrophobicContact CG-CD1 4.35Å; Y91-L160 HydrophobicContact CG-CD2 4.28Å; M138-L160 HydrophobicContact CE-CD2 4.22Å; M138-L160 HydrophobicContact SD-CD2 3.65Å; V151-L160 HydrophobicContact CG1-CD1 3.85Å; V151-L160 HydrophobicContact CG1-CD2 4.3Å; A154-L160 HydrophobicContact CB-CD2 3.58Å; A154-L160 HydrophobicContact CB-CG 4.02Å; Q155-L160 HydrophobicContact CB-CD1 3.72Å; Q155-L160 HydrophobicContact CB-CG 4.47Å; Q155-L160 HydrophobicContact CG-CD1 4.14Å
161C90.4Very high84.3Confident25 Ų2561.3 Ų61.317%0.16936%0.356CS..EExtended strand (participates in β ladder)trans-145.6136.8178.6-63.40000110.6C174 Y176C161-C174 PolarHBondContact N-O 3.49Å; C161-C174 PolarHBondContact O-N 2.88Å; C161-C174 VanDerWaalsContact O-O 3.1Å; C161-C174 PolarHBondContact O-SG 2.7Å; C161-C174 VanDerWaalsContact O-SG 3.41Å; C161-Y176 HydrophobicContact CB-CD2 4.43Å; C161-Y176 HydrophobicContact CB-CE2 4.41Å
162E89.4Confident83.9Confident80 Ų8065.6 Ų65.637%0.37438%0.375SS..EExtended strand (participates in β ladder)trans-92.9114164.1-62.4-169.4-162.400107.8V171 Y173 R418E162-V171 HydrophobicContact CB-CG1 3.87Å; E162-V171 HydrophobicContact CG-CG1 4.21Å; E162-Y173 VanDerWaalsContact CD-CE1 3.47Å; E162-Y173 HydrophobicContact CG-CD1 3.8Å; E162-Y173 HydrophobicContact CG-CE1 3.9Å; E162-Y173 WeakPolarHBondContact OE1-CE1 3.18Å; E162-R418 IonicContact OE2-NH1 2.73Å; E162-R418 PolarHBondContact OE2-NH1 2.93Å
163E84.2Confident83.7Confident50 Ų5067.7 Ų67.723%0.23438%0.382CS..EExtended strand (participates in β ladder)trans-95.9132.7173-71.4177.7168.900108.7N141 G165 K172 Y176N141-E163 PolarHBondContact ND2-OE1 3.47Å; N141-E163 PolarHBondContact ND2-OE2 2.91Å; E163-G165 PolarHBondContact O-N 3.42Å; E163-K172 HydrophobicContact CB-CB 4.19Å; E163-K172 HydrophobicContact CB-CD 4.33Å; E163-K172 PolarHBondContact N-O 2.98Å; E163-K172 WeakPolarHBondContact O-CB 3.11Å; E163-K172 PolarHBondContact O-N 2.94Å; E163-K172 WeakPolarHBondContact OE2-CE 3.41Å; E163-K172 IonicContact OE2-NZ 2.8Å; E163-K172 PolarHBondContact OE2-NZ 3.49Å; E163-Y176 PolarHBondContact OE1-OH 3.41Å
164E80Confident83.6Confident188 Ų18868 Ų6888%0.87938%0.384SS*.EExtended strand (participates in β ladder)trans-59.9127.3168.6-69.4177.3177.500109.1
165G70.1Confident83.5Confident21 Ų2168 Ų6822%0.21638%0.384CS..PPolyproline II helixtrans-74.1172.5178.800000112.9E163 E167 N170E163-G165 PolarHBondContact O-N 3.42Å; G165-E167 PolarHBondContact O-N 2.89Å; G165-E167 VanDerWaalsContact O-N 3.11Å; G165-N170 WeakPolarHBondContact CA-O 3.37Å; G165-N170 PolarHBondContact N-O 2.7Å
166P62.4Low83.6Confident147 Ų14766.8 Ų66.896%0.95538%0.378SS*.SBendtrans-70-2.9178.631.2-36.6000114
167E63Low83.8Confident135 Ų13561.4 Ų61.463%0.63135%0.352SS*.SBendtrans-140.9137.6-176.6-177.1166.7-128.400108.4G165 D169 N170G165-E167 PolarHBondContact O-N 2.89Å; G165-E167 VanDerWaalsContact O-N 3.11Å; E167-D169 VanDerWaalsContact C-N 3.29Å; E167-D169 PolarHBondContact O-N 2.94Å; E167-N170 PolarHBondContact O-N 3.29Å; E167-N170 PolarHBondContact OE2-ND2 2.89Å; E167-N170 VanDerWaalsContact OE2-ND2 3.17Å
168A56.8Low83.8Confident105 Ų10563.5 Ų63.587%0.86835%0.353SS*.THydrogen-bonded Turntrans-64.9-21.9-150.600000116.7
169D63.6Low83.9Confident112 Ų11267.8 Ų67.860%0.59936%0.362SS*.THydrogen-bonded Turntrans-99.2-7.9178.9-60.8-50.8000113E167E167-D169 VanDerWaalsContact C-N 3.29Å; E167-D169 PolarHBondContact O-N 2.94Å
170N76.2Confident83.8Confident89 Ų8969.4 Ų69.448%0.47637%0.37SS..  trans-89.2112-176.6-78.2-51.2000111.5G165 E167G165-N170 WeakPolarHBondContact CA-O 3.37Å; G165-N170 PolarHBondContact N-O 2.7Å; E167-N170 PolarHBondContact O-N 3.29Å; E167-N170 PolarHBondContact OE2-ND2 2.89Å; E167-N170 VanDerWaalsContact OE2-ND2 3.17Å
171V85.7Confident83.8Confident49 Ų4970.6 Ų70.630%0.29737%0.373SS..EExtended strand (participates in β ladder)trans-93.5126.7171.4178.50000110.3E162 Y173E162-V171 HydrophobicContact CB-CG1 3.87Å; E162-V171 HydrophobicContact CG-CG1 4.21Å; V171-Y173 HydrophobicContact CB-CE2 4.16Å; V171-Y173 HydrophobicContact CG1-CD1 4.34Å; V171-Y173 HydrophobicContact CG1-CE1 3.93Å; V171-Y173 HydrophobicContact CG1-CE2 4.1Å
172K89.1Confident83.9Confident90 Ų9073.1 Ų73.139%0.39138%0.384SS..EExtended strand (participates in β ladder)trans-96.894.1177.3-177.4-165.1165.8-156.70110.3N141 E163 C174N141-K172 PolarHBondContact ND2-NZ 3.34Å; N141-K172 PolarHBondContact OD1-NZ 2.86Å; E163-K172 HydrophobicContact CB-CB 4.19Å; E163-K172 HydrophobicContact CB-CD 4.33Å; E163-K172 PolarHBondContact N-O 2.98Å; E163-K172 WeakPolarHBondContact O-CB 3.11Å; E163-K172 PolarHBondContact O-N 2.94Å; E163-K172 WeakPolarHBondContact OE2-CE 3.41Å; E163-K172 IonicContact OE2-NZ 2.8Å; E163-K172 PolarHBondContact OE2-NZ 3.49Å; K172-C174 PolarHBondContact O-N 3.41Å
173Y92.8Very high84Confident52 Ų5276 Ų7620%0.20440%0.396CS..EExtended strand (participates in β ladder)trans-64.5124.4170.3-55.6-80.1000110.4L90 Y91 E162 V171 R418L90-Y173 HydrophobicContact CB-CD1 4.47Å; L90-Y173 HydrophobicContact CB-CD2 4.47Å; L90-Y173 HydrophobicContact CB-CG 4.34Å; L90-Y173 HydrophobicContact CD2-CD2 4.45Å; L90-Y173 HydrophobicContact CD2-CE2 4.01Å; L90-Y173 VanDerWaalsContact O-CB 3.26Å; L90-Y173 WeakPolarHBondContact O-CB 3.44Å; Y91-Y173 HydrophobicContact CD2-CD1 4.44Å; Y91-Y173 HydrophobicContact CE1-CD1 4.32Å; Y91-Y173 AromaticContact CE2-CD1 3.85Å; Y91-Y173 HydrophobicContact CE2-CD1 3.85Å; Y91-Y173 HydrophobicContact CE2-CG 4.43Å; Y91-Y173 AromaticContact CZ-CD1 3.79Å; E162-Y173 VanDerWaalsContact CD-CE1 3.47Å; E162-Y173 HydrophobicContact CG-CD1 3.8Å; E162-Y173 HydrophobicContact CG-CE1 3.9Å; E162-Y173 WeakPolarHBondContact OE1-CE1 3.18Å; V171-Y173 HydrophobicContact CB-CE2 4.16Å; V171-Y173 HydrophobicContact CG1-CD1 4.34Å; V171-Y173 HydrophobicContact CG1-CE1 3.93Å; V171-Y173 HydrophobicContact CG1-CE2 4.1Å; Y173-R418 PolarHBondContact OH-NH2 2.91Å
174C93.3Very high84.1Confident7 Ų776.2 Ų76.25%0.04740%0.397CS..EExtended strand (participates in β ladder)trans-151.6176.9-177.9770000112.7Y91 N141 C161 K172Y91-C174 WeakPolarHBondContact CD1-O 3.48Å; Y91-C174 VanDerWaalsContact CE1-O 3.24Å; Y91-C174 WeakPolarHBondContact CE1-O 2.89Å; N141-C174 HydrophobicContact CB-CB 4.02Å; N141-C174 PolarHBondContact ND2-SG 3.05Å; C161-C174 PolarHBondContact N-O 3.49Å; C161-C174 PolarHBondContact O-N 2.88Å; C161-C174 VanDerWaalsContact O-O 3.1Å; C161-C174 PolarHBondContact O-SG 2.7Å; C161-C174 VanDerWaalsContact O-SG 3.41Å; K172-C174 PolarHBondContact O-N 3.41Å
175G94.7Very high84.4Confident1 Ų170.1 Ų70.11%0.0137%0.369CS..EExtended strand (participates in β ladder)trans-149.8154.1-178.300000113.6C140 N141 L159C140-G175 WeakPolarHBondContact CA-O 3.47Å; N141-G175 PolarHBondContact N-O 3.16Å; L159-G175 WeakPolarHBondContact O-CA 3.27Å
176Y95.8Very high85.2Confident19 Ų1975.9 Ų75.98%0.07539%0.388CS..  trans-129.7130.7-177.1-70.1-84000111.5N141 R142 L159 C161 E163 H180 M184N141-Y176 HydrophobicContact CB-CD1 4.42Å; N141-Y176 HydrophobicContact CB-CE1 3.98Å; N141-Y176 HydrophobicContact CB-CE2 4.34Å; N141-Y176 PolarHBondContact ND2-OH 2.89Å; R142-Y176 HydrophobicContact CB-CD1 4.34Å; R142-Y176 HydrophobicContact CB-CE1 4.32Å; L159-Y176 WeakPolarHBondContact CB-O 3.21Å; L159-Y176 PolarHBondContact O-N 3.29Å; C161-Y176 HydrophobicContact CB-CD2 4.43Å; C161-Y176 HydrophobicContact CB-CE2 4.41Å; E163-Y176 PolarHBondContact OE1-OH 3.41Å; Y176-H180 HydrophobicContact CD1-CB 4.11Å; Y176-M184 HydrophobicContact CD2-CE 3.65Å; Y176-M184 HydrophobicContact CD2-SD 4.26Å; Y176-M184 HydrophobicContact CE2-CE 3.68Å; Y176-M184 HydrophobicContact CE2-SD 3.8Å; Y176-M184 HydrophobicContact CG-CE 4.35Å
177C96.4Very high86.3Confident6 Ų676.8 Ų76.84%0.04138%0.377CS..  trans-61.2156.4174.867.60000111.5Y121 C140 Q147 F149 H179 H180 Y181Y121-C177 HydrophobicContact CE1-CB 3.72Å; C140-C177 HydrophobicContact CB-CB 4.5Å; C140-C177 PolarHBondContact SG-N 3.04Å; C140-C177 VanDerWaalsContact SG-N 3.44Å; Q147-C177 HydrophobicContact CB-CB 3.84Å; Q147-C177 HydrophobicContact CG-CB 4.27Å; F149-C177 HydrophobicContact CE1-CB 4.28Å; C177-H179 CarbonylContact O-C 3.6Å; C177-H179 PolarHBondContact O-N 3.26Å; C177-H180 PolarHBondContact O-N 3.47Å; C177-H180 PolarHBondContact SG-ND1 3.03Å; C177-H180 VanDerWaalsContact SG-ND1 3.35Å; C177-Y181 PolarHBondContact O-N 3.19Å
178K94.7Very high87.1Confident86 Ų8675.3 Ų75.337%0.37437%0.373SS..Hα-helixtrans-40.4-44.9-177-73.7169.4-175.2172.90113.2Y121 D125 L159 N182Y121-K178 HydrophobicContact CE2-CD 4.21Å; Y121-K178 WeakPolarHBondContact OH-CG 3.28Å; Y121-K178 PolarHBondContact OH-N 3.48Å; D125-K178 IonicContact OD2-NZ 3.92Å; D125-K178 PolarHBondContact OD2-NZ 3.12Å; L159-K178 HydrophobicContact CD1-CG 3.97Å; L159-K178 HydrophobicContact CD2-CG 4.39Å; K178-N182 WeakPolarHBondContact O-CB 3.27Å; K178-N182 PolarHBondContact O-N 3.39Å; K178-N182 PolarHBondContact O-ND2 3.36Å
179H93.9Very high88.2Confident130 Ų13078 Ų7860%0.60236%0.36SS*.Hα-helixtrans-65.4-48.9177.7-176.3-23.7000113C177 K183C177-H179 CarbonylContact O-C 3.6Å; C177-H179 PolarHBondContact O-N 3.26Å; H179-K183 WeakPolarHBondContact O-CB 3.15Å; H179-K183 PolarHBondContact O-N 2.96Å; H179-K183 VanDerWaalsContact O-N 3.08Å
180H94.4Very high88.7Confident39 Ų3976.6 Ų76.618%0.18136%0.359CS..Hα-helixtrans-74.2-37.2-175.7-73128.8000112.4R142 C145 Y176 C177 K183 M184R142-H180 HydrophobicContact CB-CB 4.27Å; C145-H180 VanDerWaalsContact SG-CE1 3.52Å; C145-H180 PolarHBondContact SG-ND1 2.91Å; Y176-H180 HydrophobicContact CD1-CB 4.11Å; C177-H180 PolarHBondContact O-N 3.47Å; C177-H180 PolarHBondContact SG-ND1 3.03Å; C177-H180 VanDerWaalsContact SG-ND1 3.35Å; H180-K183 PolarHBondContact O-N 3.22Å; H180-M184 WeakPolarHBondContact O-CB 3.48Å; H180-M184 PolarHBondContact O-N 2.71Å
181Y93.6Very high88.2Confident52 Ų5276.1 Ų76.120%0.20436%0.363CS..Hα-helixtrans-59.4-49173.2-173.2-93.8000111.4G158 L159 C177 K183 M184 Q185G158-Y181 WeakPolarHBondContact O-CE1 3.4Å; G158-Y181 VanDerWaalsContact O-CE2 3.3Å; G158-Y181 WeakPolarHBondContact O-CE2 3.46Å; G158-Y181 PolarHBondContact O-OH 3.4Å; L159-Y181 HydrophobicContact CD2-CD1 3.98Å; L159-Y181 HydrophobicContact CD2-CD2 4.41Å; L159-Y181 HydrophobicContact CD2-CG 3.78Å; C177-Y181 PolarHBondContact O-N 3.19Å; Y181-K183 VanDerWaalsContact C-N 3.32Å; Y181-K183 PolarHBondContact O-N 2.73Å; Y181-M184 HydrophobicContact CD2-CE 4.24Å; Y181-M184 WeakPolarHBondContact O-CB 3.44Å; Y181-M184 PolarHBondContact O-N 2.95Å; Y181-M184 VanDerWaalsContact O-N 3.12Å; Y181-Q185 HydrophobicContact CD1-CG 4.35Å; Y181-Q185 HydrophobicContact CE1-CG 3.87Å; Y181-Q185 PolarHBondContact O-N 2.99Å; Y181-Q185 PolarHBondContact OH-NE2 2.75Å
182N92.1Very high87.1Confident77 Ų7778.5 Ų78.541%0.41237%0.371SS..Hα-helixtrans-60.9-37.2174.8-88.8-82.4000113.3K178 M184 K186K178-N182 WeakPolarHBondContact O-CB 3.27Å; K178-N182 PolarHBondContact O-N 3.39Å; K178-N182 PolarHBondContact O-ND2 3.36Å; N182-M184 VanDerWaalsContact C-N 3.33Å; N182-K186 WeakPolarHBondContact O-CB 3.33Å; N182-K186 VanDerWaalsContact O-CG 3.25Å; N182-K186 WeakPolarHBondContact O-CG 3.36Å; N182-K186 PolarHBondContact O-N 2.93Å; N182-K186 VanDerWaalsContact O-N 3.1Å
183K91.4Very high85.5Confident141 Ų14179.9 Ų79.961%0.61338%0.382SS*.Hα-helixtrans-67.9-34.8176.2-170.3172-178.3174.70111.6H179 H180 Y181 K187H179-K183 WeakPolarHBondContact O-CB 3.15Å; H179-K183 PolarHBondContact O-N 2.96Å; H179-K183 VanDerWaalsContact O-N 3.08Å; H180-K183 PolarHBondContact O-N 3.22Å; Y181-K183 VanDerWaalsContact C-N 3.32Å; Y181-K183 PolarHBondContact O-N 2.73Å; K183-K187 PolarHBondContact O-N 3.42Å
184M86.7Confident83.7Confident55 Ų5580.3 Ų80.327%0.27140%0.397SS..Hα-helixtrans-70.4-51.3175.9-173.8168.272.200111.9Y176 H180 Y181 N182 K186 K187 L188Y176-M184 HydrophobicContact CD2-CE 3.65Å; Y176-M184 HydrophobicContact CD2-SD 4.26Å; Y176-M184 HydrophobicContact CE2-CE 3.68Å; Y176-M184 HydrophobicContact CE2-SD 3.8Å; Y176-M184 HydrophobicContact CG-CE 4.35Å; H180-M184 WeakPolarHBondContact O-CB 3.48Å; H180-M184 PolarHBondContact O-N 2.71Å; Y181-M184 HydrophobicContact CD2-CE 4.24Å; Y181-M184 WeakPolarHBondContact O-CB 3.44Å; Y181-M184 PolarHBondContact O-N 2.95Å; Y181-M184 VanDerWaalsContact O-N 3.12Å; N182-M184 VanDerWaalsContact C-N 3.33Å; M184-K186 VanDerWaalsContact C-N 3.29Å; M184-K186 PolarHBondContact O-N 3.33Å; M184-K187 WeakPolarHBondContact O-CB 3.39Å; M184-K187 PolarHBondContact O-N 2.84Å; M184-L188 HydrophobicContact CG-CD1 4.3Å; M184-L188 PolarHBondContact O-N 2.95Å
185Q85.4Confident81.8Confident59 Ų5981.8 Ų81.828%0.27641%0.407SS..Hα-helixtrans-55.9-42.2175-79.7-158.7-500112.4Y181 K187 L188 R189Y181-Q185 HydrophobicContact CD1-CG 4.35Å; Y181-Q185 HydrophobicContact CE1-CG 3.87Å; Y181-Q185 PolarHBondContact O-N 2.99Å; Y181-Q185 PolarHBondContact OH-NE2 2.75Å; Q185-K187 VanDerWaalsContact C-N 3.31Å; Q185-K187 PolarHBondContact O-N 2.78Å; Q185-L188 PolarHBondContact O-N 3.48Å; Q185-R189 WeakPolarHBondContact O-CG 3.48Å; Q185-R189 PolarHBondContact O-N 2.87Å
186K87.6Confident79.7Confident142 Ų14285.5 Ų85.562%0.61743%0.433SS*.Hα-helixtrans-63.3-35.3176.5-74.5173.3-176.9-178.90112.4N182 M184 S190N182-K186 WeakPolarHBondContact O-CB 3.33Å; N182-K186 VanDerWaalsContact O-CG 3.25Å; N182-K186 WeakPolarHBondContact O-CG 3.36Å; N182-K186 PolarHBondContact O-N 2.93Å; N182-K186 VanDerWaalsContact O-N 3.1Å; M184-K186 VanDerWaalsContact C-N 3.29Å; M184-K186 PolarHBondContact O-N 3.33Å; K186-S190 VanDerWaalsContact O-CB 3.24Å; K186-S190 WeakPolarHBondContact O-CB 3.16Å; K186-S190 PolarHBondContact O-N 2.76Å; K186-S190 VanDerWaalsContact O-N 3.1Å; K186-S190 PolarHBondContact O-OG 3.32Å
187K85Confident77.4Confident166 Ų16689 Ų8972%0.72246%0.46SS*.Hα-helixtrans-67.6-43.9174.4-169.1-168175.2-163.60111.4K183 M184 Q185 S190 S191K183-K187 PolarHBondContact O-N 3.42Å; M184-K187 WeakPolarHBondContact O-CB 3.39Å; M184-K187 PolarHBondContact O-N 2.84Å; Q185-K187 VanDerWaalsContact C-N 3.31Å; Q185-K187 PolarHBondContact O-N 2.78Å; K187-S190 PolarHBondContact O-N 3.45Å; K187-S191 WeakPolarHBondContact O-CB 3.48Å; K187-S191 PolarHBondContact O-N 3.32Å
188L79.4Confident74.8Confident104 Ų10497.5 Ų97.555%0.54550%0.496SS..Hα-helixtrans-57.8-58.7176.4-73.4160.1000110.9M184 Q185 S190 S191 E192M184-L188 HydrophobicContact CG-CD1 4.3Å; M184-L188 PolarHBondContact O-N 2.95Å; Q185-L188 PolarHBondContact O-N 3.48Å; L188-S190 PolarHBondContact O-N 3.22Å; L188-S190 VanDerWaalsContact O-N 3.17Å; L188-S191 WeakPolarHBondContact O-CA 3.44Å; L188-S191 VanDerWaalsContact O-CB 3.27Å; L188-S191 WeakPolarHBondContact O-CB 3.28Å; L188-S191 PolarHBondContact O-N 3.45Å; L188-E192 PolarHBondContact O-N 3.27Å
189R79.6Confident71.9Confident163 Ų16398.5 Ų98.562%0.61551%0.514SS*.Hα-helixtrans-58.3-33179.4-66.3-177.7-176.9-169.82.5113.9Q185 E192 N193Q185-R189 WeakPolarHBondContact O-CG 3.48Å; Q185-R189 PolarHBondContact O-N 2.87Å; R189-E192 VanDerWaalsContact CA-OE2 3.27Å; R189-E192 WeakPolarHBondContact CA-OE2 3.47Å; R189-E192 PolarHBondContact N-OE2 2.92Å; R189-N193 PolarHBondContact O-N 2.82Å
190S74.1Confident69.2Low81 Ų81100 Ų10057%0.56652%0.522SS*.Hα-helixtrans-75.5-29.3175.6-56.40000112.8K186 K187 L188 A194K186-S190 VanDerWaalsContact O-CB 3.24Å; K186-S190 WeakPolarHBondContact O-CB 3.16Å; K186-S190 PolarHBondContact O-N 2.76Å; K186-S190 VanDerWaalsContact O-N 3.1Å; K186-S190 PolarHBondContact O-OG 3.32Å; K187-S190 PolarHBondContact O-N 3.45Å; L188-S190 PolarHBondContact O-N 3.22Å; L188-S190 VanDerWaalsContact O-N 3.17Å; S190-A194 WeakPolarHBondContact O-CB 3.38Å; S190-A194 PolarHBondContact O-N 3.45Å; S190-A194 VanDerWaalsContact O-N 3.17Å
191S67.5Low66.6Low79 Ų79104 Ų10455%0.55255%0.551SS**Hα-helixtrans-70.1-42.3173.8-1620000111.2K187 L188 A194 S195K187-S191 WeakPolarHBondContact O-CB 3.48Å; K187-S191 PolarHBondContact O-N 3.32Å; L188-S191 WeakPolarHBondContact O-CA 3.44Å; L188-S191 VanDerWaalsContact O-CB 3.27Å; L188-S191 WeakPolarHBondContact O-CB 3.28Å; L188-S191 PolarHBondContact O-N 3.45Å; S191-A194 WeakPolarHBondContact O-CB 3.33Å; S191-A194 PolarHBondContact O-N 2.96Å; S191-S195 PolarHBondContact O-N 2.75Å; S191-S195 PolarHBondContact O-OG 3.28Å
192E61.8Low63.9Low100 Ų100112.7 Ų112.747%0.46758%0.583SS.*Hα-helixtrans-61.3-46.4178-65.8169.6112.200111.5L188 R189 A194 S195L188-E192 PolarHBondContact O-N 3.27Å; R189-E192 VanDerWaalsContact CA-OE2 3.27Å; R189-E192 WeakPolarHBondContact CA-OE2 3.47Å; R189-E192 PolarHBondContact N-OE2 2.92Å; E192-A194 VanDerWaalsContact C-N 3.32Å; E192-A194 PolarHBondContact O-N 3.19Å; E192-S195 PolarHBondContact O-N 3.45Å; E192-S195 PolarHBondContact O-OG 3.28Å
193N54.6Low61.1Low119 Ų119112.6 Ų112.664%0.63660%0.6SS**Hα-helixtrans-67-27.5174.6-83.623.6000113.8R189 S195 S196R189-N193 PolarHBondContact O-N 2.82Å; N193-S195 VanDerWaalsContact C-N 3.35Å; N193-S196 PolarHBondContact O-N 2.7Å; N193-S196 PolarHBondContact O-OG 2.92Å
194A56.5Low58.2Low61 Ų61118 Ų11850%0.50462%0.617SS.*Hα-helixtrans-68.6-35.4175.800000111.7S190 S191 E192 S196S190-A194 WeakPolarHBondContact O-CB 3.38Å; S190-A194 PolarHBondContact O-N 3.45Å; S190-A194 VanDerWaalsContact O-N 3.17Å; S191-A194 WeakPolarHBondContact O-CB 3.33Å; S191-A194 PolarHBondContact O-N 2.96Å; E192-A194 VanDerWaalsContact C-N 3.32Å; E192-A194 PolarHBondContact O-N 3.19Å; A194-S196 VanDerWaalsContact C-N 3.35Å; A194-S196 PolarHBondContact O-N 3.43Å
195S51.8Low55.6Low38 Ų38121.2 Ų121.227%0.26665%0.645SS.*Hα-helixtrans-67.8-26.5175.922.90000114.7S191 E192 N193 S197S191-S195 PolarHBondContact O-N 2.75Å; S191-S195 PolarHBondContact O-OG 3.28Å; E192-S195 PolarHBondContact O-N 3.45Å; E192-S195 PolarHBondContact O-OG 3.28Å; N193-S195 VanDerWaalsContact C-N 3.35Å; S195-S197 VanDerWaalsContact C-N 3.33Å; S195-S197 PolarHBondContact O-N 3.43Å
196S51.5Low52.9Low78 Ų78124.1 Ų124.155%0.54567%0.671SS.*THydrogen-bonded Turntrans-80.2-7.8-173.167.80000115N193 A194N193-S196 PolarHBondContact O-N 2.7Å; N193-S196 PolarHBondContact O-OG 2.92Å; A194-S196 VanDerWaalsContact C-N 3.35Å; A194-S196 PolarHBondContact O-N 3.43Å
197S46.8Very low49.9Very low92 Ų92123 Ų12364%0.64368%0.681SS**THydrogen-bonded Turntrans-92.5-1.4-168.3-61.70000115.5S195S195-S197 VanDerWaalsContact C-N 3.33Å; S195-S197 PolarHBondContact O-N 3.43Å
198F43.1Very low47.7Very low185 Ų185120.7 Ų120.781%0.81168%0.684SS**  trans-110.462.3-174.5-79.3-76.8000114.4
199S33.8Very low45Very low108 Ų108120.2 Ų120.276%0.75569%0.689SS**  trans-114.693.9167.9610000111.6
200H36.3Very low42.5Very low162 Ų162121.2 Ų121.275%0.7570%0.701SS**  trans-70.2134.7174.5-80.7-44.3000112.2
201P40.3Very low40.2Very low122 Ų122126.5 Ų126.579%0.79272%0.716SS**  trans-79.8128.5172.331.8-33.1000111.8
202R36.2Very low38.4Very low235 Ų235130.2 Ų130.289%0.88772%0.722SS**  trans-146.7128.8159.9-76.8-169.4-94-148-5.6107.7
203G33.4Very low37.1Very low75 Ų75131.9 Ų131.977%0.77373%0.73SS**  cis175.8-178.6-5.700000109.9
204R29.8Very low36.2Very low254 Ų254132.9 Ų132.996%0.95873%0.731SS**  trans-149.6138.4165.8-125.9176.3-172.4-105.91110.5
205S33.6Very low35.2Very low123 Ų123138 Ų13886%0.8674%0.744SS**  trans-93.3147.5-179.1-53.10000111.6
206S28.4Very low34.4Very low119 Ų119143.7 Ų143.783%0.83277%0.766SS**  trans-155109.4160.857.10000111.3
207S25.2Very low33.4Very low118 Ų118148.1 Ų148.183%0.82578%0.775SS**  trans-109.2168.2155-56.10000106.8
208P37.2Very low32.7Very low119 Ų119151.9 Ų151.977%0.77378%0.783SS**  cis-138-174.68.741.5-23000116
209S24Very low32.2Very low94 Ų94154.4 Ų154.466%0.65779%0.787SS**  trans83.6115144.3-132.90000122.9
210Q26.9Very low32.3Very low183 Ų183157.9 Ų157.986%0.85579%0.788SS**  45.4104.3129.7-60177.62.100121.4
211E24.8Very low32.1Very low192 Ų192154.9 Ų154.990%0.89779%0.785SS**  -165.3168115-147.1163.4-175.600108.9
212K31Very low32Very low157 Ų157157 Ų15768%0.68379%0.785SS**  -156.2154-76.4-151.3178.5177.7-175.30106.1
213H33.7Very low31.8Very low135 Ų135153.6 Ų153.663%0.62578%0.776SS**  trans75.1109.1162.4-59.3-58000123.9
214H35Very low31.8Very low140 Ų140154.9 Ų154.965%0.64877%0.765SS**  70.9109.4124-62.3-55.9000126
215H36.9Very low32.2Very low169 Ų169150.9 Ų150.978%0.78276%0.755SS**  97.9157113-78-34.3000124.1
216H33.8Very low32.2Very low158 Ų158152.4 Ų152.473%0.73175%0.752SS**  trans70.4142.3178.3-103.617.7000116.3
217K31.4Very low32.5Very low170 Ų170156.8 Ų156.874%0.73975%0.75SS**  cis-147.8142.36.8-151.7158.4-170.6156.80111.1
218Q31.7Very low33Very low171 Ų171158.7 Ų158.780%0.79975%0.746SS**  trans-87.6152170.5-75.1-173-5.900111.7
219R32Very low32.8Very low239 Ų239162.1 Ų162.190%0.90275%0.749SS**  167.8171.3120-93.8171162.7-139.9-1.4112.4
220K35.9Very low33.3Very low180 Ų180163.3 Ų163.378%0.78374%0.744SS**  -175.7108.7-56.2177.6172-178.21770110.2
221S32.3Very low33.7Very low99 Ų99163 Ų16369%0.69274%0.735SS**  trans58.5143.7149.9-150.70000123.5
222H39.8Very low34.4Very low167 Ų167160.8 Ų160.877%0.77372%0.724SS**  trans99.7132.6133.4-119.3-29.4000122.8
223K31.1Very low34.6Very low163 Ų163161.7 Ų161.771%0.70973%0.728SS**  116.1115.1123.4-148.673163.9109.60119.7
224D33.7Very low34.6Very low102 Ų102161.3 Ų161.355%0.54573%0.725SS.*  trans58.2135.8146.7-79.1-70000127.2
225K37.3Very low34.4Very low170 Ų170160.2 Ų160.274%0.73973%0.733SS**  trans58113.3135.3-69.4171.8-176.2179.80125.1
226I34.4Very low34.2Very low155 Ų155157 Ų15780%0.79573%0.729SS**  42.1120.2114.2-54.5166.4000118.9
227R33.9Very low34Very low212 Ų212155.4 Ų155.480%0.873%0.726SS**  172.6139.4101.6-153.8160.2169.9-175-7.6117.6
228Q36.7Very low34.1Very low158 Ų158151.7 Ų151.774%0.73872%0.722SS**  trans2139158.3-54.2168.9-72.300124.8
229K33.1Very low34.3Very low190 Ų190151.3 Ų151.383%0.82672%0.724SS**  -164.1126.4121.6-137.5165.8-177177.80109.2
230E34.5Very low34.1Very low120 Ų120144.5 Ų144.556%0.56171%0.714SS**  62.6141.367.6-117.8-119.5118.400113.8H232E230-H232 IonicContact OE1-CE1 2.69Å; E230-H232 PolarHBondContact OE1-CE1 2.92Å; E230-H232 IonicContact OE1-ND1 2.67Å
231R34.9Very low33.9Very low176 Ų176140.5 Ų140.566%0.66471%0.708SS**  cis-113.4-156.316.8-40.3-150.381160.618.9112.2
232H39.5Very low33.8Very low145 Ų145140.5 Ų140.567%0.67171%0.708SS**  cis-166.8-162.9-6.4-1257.3000105.7E230E230-H232 IonicContact OE1-CE1 2.69Å; E230-H232 PolarHBondContact OE1-CE1 2.92Å; E230-H232 IonicContact OE1-ND1 2.67Å
233K34.9Very low33.3Very low176 Ų176140.4 Ų140.477%0.76571%0.712SS**  cis175.6130.7-41164.9-155.8168.6-169.70105.9
234K33Very low33.2Very low127 Ų127138 Ų13855%0.55271%0.711SS**  cis-154.7135.6-21.5169.8-96.6171.2168.30106.3S236 D237K234-S236 PolarHBondContact NZ-O 3.22Å; K234-D237 IonicContact NZ-OD1 3.8Å; K234-D237 PolarHBondContact NZ-OD1 3.29Å; K234-D237 IonicContact NZ-OD2 2.99Å; K234-D237 PolarHBondContact NZ-OD2 2.97Å
235S31.6Very low32.9Very low118 Ų118139.9 Ų139.983%0.82573%0.726SS**  trans-145150.7170.9-53.80000108.5
236S32.3Very low32.6Very low100 Ų100137.5 Ų137.570%0.69973%0.731SS**  cis-133.4-156.6-9.757.80000108.9K234K234-S236 PolarHBondContact NZ-O 3.22Å
237D30.9Very low32.4Very low125 Ų125136.2 Ų136.267%0.66874%0.735SS**  trans-144.7152.6179.8-59.4-70000108.9K234K234-D237 IonicContact NZ-OD1 3.8Å; K234-D237 PolarHBondContact NZ-OD1 3.29Å; K234-D237 IonicContact NZ-OD2 2.99Å; K234-D237 PolarHBondContact NZ-OD2 2.97Å
238S33.7Very low32.3Very low93 Ų93132.7 Ų132.765%0.6573%0.732SS**  cis-176173.6-12.451.10000112.3
239L34Very low32.1Very low162 Ų162132 Ų13285%0.84873%0.728SS**  trans72152.8159.9-55.2-174000120
240S27.9Very low31.9Very low97 Ų97131 Ų13168%0.67872%0.724SS**  cis-163158.5-30.5-161.40000113
241S32.3Very low31.6Very low95 Ų95132.4 Ų132.466%0.66473%0.734SS**  trans-5.7162.4157.662.80000122.5
242S30Very low31.1Very low100 Ų100128.4 Ų128.470%0.69973%0.733SS**  178.6176.967.3-71.80000115.7
243I29.5Very low30.6Very low165 Ų165126.4 Ų126.485%0.84674%0.735SS**  trans85.3149.4159.9-73167.4000118.2
244T29.3Very low30.2Very low113 Ų113123 Ų12369%0.69373%0.729SS**  trans-158.4-176-159.556.90000114.5
245T27.4Very low30.1Very low141 Ų141124 Ų12487%0.86574%0.736SS**  trans85.1159148.539.30000122.2
246S30.5Very low30.1Very low120 Ų120125.9 Ų125.984%0.83973%0.731SS**  trans-132.1173.6-162.2540000113.2
247S30.1Very low29.9Very low127 Ų127126 Ų12689%0.88873%0.732SS**  trans-151.3-177167.3-158.90000113.3
248L31.6Very low29.8Very low139 Ų139125.5 Ų125.573%0.72874%0.739SS**  trans-144.1141.1-138.4-174.671.9000116.7
249E32.5Very low29.8Very low142 Ų142129.6 Ų129.666%0.66474%0.744SS**  trans59.6164161.3-78.8-179.4-146.300118.9
250K28.7Very low29.6Very low170 Ų170128.7 Ų128.774%0.73974%0.74SS**  cis-159.4164.626.4-149.3170.9-169.787.10115.2
251I28.4Very low29.9Very low150 Ų150127.7 Ų127.777%0.76975%0.745SS**  trans-63.6168.7169.230.6171.3000114.5
252S25.1Very low30.1Very low91 Ų91133.1 Ų133.164%0.63676%0.761SS**  cis-176-177.6043.70000112.1
253S28.2Very low30.3Very low103 Ų103131.5 Ų131.572%0.7276%0.759SS**  trans83.4153.4149.283.80000118.4
254T27Very low30.3Very low105 Ų105133.4 Ų133.464%0.64476%0.761SS**  cis-165.7166.4-20.30000115.7
255H31.4Very low31Very low148 Ų148132.9 Ų132.969%0.68576%0.76SS**  trans72.4118.6142.7-69.6-50.2000126.1
256H30.4Very low31.2Very low157 Ų157135.9 Ų135.973%0.72776%0.761SS**  81110127.2-71.2-49000126.3
257S28.6Very low31.4Very low103 Ų103139.7 Ų139.772%0.7276%0.762SS**  103.7135.6117.7-67.10000123.2
258S29.9Very low31.3Very low115 Ų115141.3 Ų141.380%0.80476%0.761SS**  trans84.4110.6147.1-63.50000123
259K32.4Very low31.1Very low178 Ų178139.5 Ų139.577%0.77476%0.759SS**  92.8128.8121.1-165.3168.4-180-179.90120.5
260D31.3Very low30.8Very low143 Ų143137.8 Ų137.877%0.76576%0.763SS**  trans49.1115.3162.3-53-22.1000120.6
261G32.8Very low31.1Very low76 Ų76139.1 Ų139.178%0.78477%0.772SS**SBendtrans155.1153.1176.800000112.5
262E37Very low31Very low210 Ų210137.3 Ų137.398%0.98177%0.772SS**SBendtrans-34.2138.9-172.7-53.2-162.6107.600117.4
263G33.3Very low31.3Very low65 Ų65142.2 Ų142.267%0.6779%0.785SS**  trans-143.3133.9-159.100000120.1
264K30.8Very low31.2Very low205 Ų205141 Ų14189%0.89179%0.789SS**  trans80.3154135.5-66.7175.6-179.1169.50119.1
265P43.3Very low31.4Very low103 Ų103144.7 Ų144.767%0.66980%0.798SS**  cis-148.9-175.7-35.342.5-25.5000116.2
266K32.5Very low31.3Very low204 Ų204148.7 Ų148.789%0.88781%0.807SS**  trans94.4110151.5-71.3170.4-176179.20120.4
267K33.5Very low31.4Very low199 Ų199146.5 Ų146.587%0.86581%0.809SS**  trans-133.9166.9151.6-179.2179.5-179.6179.90106.1
268L28.6Very low31.6Very low162 Ų162150.6 Ų150.685%0.84881%0.814SS**  trans151.4127.7157.7-83.9164.4000108.5
269S26.4Very low31.7Very low100 Ų100153 Ų15370%0.69981%0.81SS**  98.9152.576-155.10000110.7
270S27.4Very low31.5Very low107 Ų107151 Ų15175%0.74881%0.813SS**  cis-149.1170.318.9-53.90000112.6
271H34Very low31.3Very low198 Ų198148 Ų14892%0.91782%0.816SS**  trans-106.4152.1163-93.5-69.8000111.5
272S27.6Very low31.2Very low112 Ų112149.6 Ų149.678%0.78382%0.815SS**  trans-153.8156.7156570000112.9
273H30.3Very low30.7Very low193 Ų193146.2 Ų146.289%0.89481%0.809SS**  trans-21.4147.6-178.6-60.3-91.9000122.1
274G27.1Very low30.5Very low78 Ų78146.7 Ų146.780%0.80481%0.814SS**  trans178.712415900000114
275H31.5Very low30.4Very low183 Ų183146.7 Ų146.785%0.84781%0.814SS**  trans-86.1171.2-174.2-82.2-97000115.3
276R29.2Very low29.6Very low232 Ų232146.5 Ų146.588%0.87582%0.815SS**  trans85.394.2148.5-83.3164.5162.4-112.71.4121
277S31.2Very low29.2Very low110 Ų110142.4 Ų142.477%0.76981%0.81SS**  17.9115.9117-41.50000120.7
278K33.2Very low28.9Very low189 Ų189137.8 Ų137.882%0.82280%0.803SS**  171141.9105.8-97.1173.6178.7172.80115.9
279K32.3Very low28.8Very low167 Ų167135.7 Ų135.773%0.72680%0.802SS**  trans68.5140.3146.4-101.7-169.8174.1-177.50122
280T28.4Very low28.9Very low135 Ų135135.8 Ų135.883%0.82880%0.803SS**  trans61.8135.5147.151.20000121
281G26.1Very low28.9Very low80 Ų80136 Ų13683%0.82580%0.804SS**  trans152100.1158.800000114.2
282S30.6Very low28.4Very low109 Ų109132.3 Ų132.376%0.76280%0.8SS**  trans-67.8145.4166.545.10000110.7
283T27.8Very low28.4Very low140 Ų140132 Ų13286%0.85980%0.797SS**  171167.69137.10000109.1
284G28.6Very low28.3Very low75 Ų75128.9 Ų128.977%0.77380%0.797SS**  trans140.6129.7163.700000115.4
285K28.7Very low28.5Very low205 Ų205129.2 Ų129.289%0.89179%0.787SS**  trans-112160.8159.9-52.9171.4-176173.50105.4
286S27.5Very low29.3Very low98 Ų98126.3 Ų126.369%0.68579%0.785SS**  cis-163.2173.830.5-45.50000109.6
287C23.8Very low29.4Very low118 Ų118123.1 Ų123.180%0.79778%0.778SS**  trans51.7150.5156.860.20000120.2
288S26.3Very low29.5Very low102 Ų102124 Ų12471%0.71377%0.773SS**  cis-167.9155.4-18.6-90.70000107.4
289S26.6Very low29.3Very low118 Ų118120.9 Ų120.983%0.82577%0.77SS**  trans62.6154.2171.524.60000116.7
290S28.7Very low29.1Very low102 Ų102116.2 Ų116.271%0.71377%0.77SS**  cis-164.3139.5-11.842.30000112.9
291S26.5Very low29.2Very low111 Ų111113.3 Ų113.378%0.77677%0.767SS**  trans59.6116136.9-52.10000123.4
292C24Very low29.4Very low122 Ų122115 Ų11582%0.82477%0.766SS**  -154.6135.7116.755.80000108.4
293S27.1Very low29.3Very low104 Ų104117.3 Ų117.373%0.72777%0.769SS**  cis99.6116.926.3-64.20000113.4
294S28.7Very low29.5Very low129 Ų129115.3 Ų115.390%0.90276%0.761SS**  trans-152.799.2166.3-680000110.2
295S31.2Very low29.6Very low84 Ų84116 Ų11659%0.58776%0.76SS**  trans-85.5176.3163.6-50.50000110
296P48.8Very low29.7Very low122 Ų122111.7 Ų111.779%0.79275%0.75SS**  -122.7147.794.7-0.822.3000112.3
297F31.4Very low29.9Very low166 Ų166115 Ų11573%0.72876%0.755SS**  cis75143.546.2-62-50.7000113.1
298N33Very low30.1Very low128 Ų128115.2 Ų115.268%0.68475%0.748SS**  cis-160.4167.87-123.922.2000108
299T30Very low30.1Very low123 Ų123119.1 Ų119.176%0.75575%0.753SS**  cis-169.3169.6-12.210.40000106.5
300G27.9Very low30.2Very low69 Ų69121.2 Ų121.271%0.71175%0.749SS**  cis160.3146.5-3.600000112.5
301G29.6Very low30.1Very low75 Ų75124 Ų12477%0.77375%0.751SS**  trans77144.7179.800000114.6
302S29.9Very low30.1Very low116 Ų116128.1 Ų128.181%0.81176%0.755SS**  cis-166.21665.5-77.80000109
303L29.7Very low30.3Very low157 Ų157127.8 Ų127.882%0.82275%0.754SS**  cis-144.9-700.9-132168.1000114.1
304S30.8Very low30.3Very low97 Ų97128.3 Ų128.368%0.67876%0.758SS**  trans-151.7147.4-160.8-61.60000116
305A31.8Very low30.3Very low91 Ų91127.3 Ų127.375%0.75275%0.751SS**  trans62.4144.1147.400000120
306T30.6Very low30.3Very low114 Ų114128.4 Ų128.470%0.69976%0.758SS**  cis-164.1149.6-6.314.50000109.7
307Q31.5Very low29.3Very low166 Ų166133.9 Ų133.978%0.77676%0.763SS**  trans42.1145.2141.1-64.4-176.5-8900121.6
308D27.8Very low29.4Very low124 Ų124133.6 Ų133.666%0.66377%0.769SS**  cis-154.4-163.64.4-134.7-61.2000114.1
309F26.2Very low29.2Very low184 Ų184136.6 Ų136.681%0.80778%0.778SS**  trans-91.9-172.3-158.7-112.8-106.7000119.3
310H29.5Very low29.1Very low162 Ų162140.9 Ų140.975%0.7578%0.781SS**  trans93.2140.6171.9-63.1-93.4000117.1
311Q26.2Very low29.3Very low159 Ų159145.4 Ų145.474%0.74378%0.783SS**  cis-164.4141.2-18.4179.9164-18.700110.9
312F25.9Very low29.9Very low199 Ų199150.6 Ų150.687%0.87379%0.787SS**  trans-124.2172.8169.5-78-86.3000108.8
313S28.8Very low30.1Very low115 Ų115152 Ų15280%0.80479%0.786SS**  cis-149.8175.220.4-51.70000112.4
314S28Very low30.4Very low114 Ų114156.2 Ų156.280%0.79779%0.791SS**  trans-111.3144.8173.6-52.10000114.4
315S28.4Very low30.3Very low109 Ų109155.4 Ų155.476%0.76280%0.797SS**  trans45.4113.6142-51.70000123.9
316S29.8Very low30.2Very low106 Ų106154.2 Ų154.274%0.74179%0.794SS**  64.5131.4123.470.70000123.7
317R28.8Very low30.1Very low238 Ų238156.5 Ų156.590%0.89880%0.802SS**  trans159.6165.4135.6-91.1167.6-175.7-107.92.3110.6
318L32.4Very low29.9Very low160 Ų160154.7 Ų154.784%0.83880%0.798SS**  -158.2172.8-65.6-118.2175.2000108.9
319E28.9Very low30.3Very low190 Ų190156.4 Ų156.489%0.88880%0.801SS**  trans-88.6-179.4-170.7-67.7175.597.900115.4
320R29.6Very low30.4Very low213 Ų213154.9 Ų154.980%0.80480%0.802SS**  trans-112.8115-164.3167174-87.6152.60114.6
321E30Very low30.5Very low165 Ų165150 Ų15077%0.77180%0.795SS**  trans54.4150132.7-53.9175.5102.500122.8
322H44.3Very low30.7Very low183 Ų183150.1 Ų150.185%0.84780%0.796SS**  trans-116.5156.9177.2-98.598000111
323D33.3Very low30.9Very low147 Ų147147.9 Ų147.979%0.78679%0.785SS**  trans40.1159.1145.2-118-66.3000124.6
324R36.4Very low31Very low245 Ų245152.2 Ų152.293%0.92578%0.784SS**  trans-158.7142.8177.6-84.6-165.1173.6-150.1-1.8113.8
325G27.6Very low31.2Very low79 Ų79155 Ų15581%0.81478%0.782SS**  trans-165.2140.815700000113.4
326G29.9Very low31.2Very low67 Ų67156.5 Ų156.569%0.69178%0.777SS**  trans88.7136.1166.700000117
327D27.7Very low31.2Very low161 Ų161162.9 Ų162.986%0.86179%0.785SS**  171.9159.4-50.6-90.425.8000106.9
328D29.3Very low31.3Very low129 Ų129159.2 Ų159.269%0.6978%0.777SS**  cis-159-156.2-12.1169.746.5000105.9
329H35.3Very low31.1Very low160 Ų160162.2 Ų162.274%0.74178%0.778SS**  trans82.9143.3163.8-67.15.3000117
330N29.1Very low31.2Very low152 Ų152161.8 Ų161.881%0.81377%0.768SS**  cis-173.1134.8-17.1178-8.1000106.2
331G30.9Very low31.1Very low59 Ų59157.2 Ų157.261%0.60877%0.768SS**  cis177.1-133.6200000109.9
332E29.2Very low31.1Very low162 Ų162152.4 Ų152.476%0.75776%0.757SS**  trans64.1127.4-177.5-59.4-158.397.600115.3
333K31.5Very low30.4Very low151 Ų151148.4 Ų148.466%0.65775%0.745SS**  cis-157.5168.316.1-84121.7178.9141.90108.5
334R30.5Very low30.1Very low206 Ų206147.9 Ų147.978%0.77774%0.738SS**  cis173.8134.8-22.7175.8179.665.1-173.1-0.1109.5
335K32.9Very low29.8Very low172 Ų172142.3 Ų142.375%0.74872%0.722SS**  trans71.3141.5167.7-83.4173.9169.2-900117.4
336E27.7Very low29.9Very low142 Ų142143.8 Ų143.866%0.66471%0.708SS**  cis-161.9135.72.6-166.5152131.400115.7
337R30.1Very low30.1Very low239 Ų239148.3 Ų148.390%0.90271%0.711SS**  trans176.4172.7139.2-95.9169.7-162.5-97.1-0.5111.4
338H29.8Very low30.3Very low161 Ų161149.2 Ų149.275%0.74571%0.71SS**  trans-128.3157.7-171.3-8219000110.8
339R29.5Very low30.6Very low224 Ų224151.1 Ų151.185%0.84572%0.715SS**  cis-166178.3-2.2-110.4173.6-178.1-109.34.3110.3
340R30Very low30.4Very low181 Ų181151.2 Ų151.268%0.68372%0.721SS**  trans-115.7143.3169-178.4-100.3179.4165-1.2112.6
341S27.4Very low30.6Very low116 Ų116153.5 Ų153.581%0.81173%0.727SS**  trans-151.9151.7156.2-69.20000109.1
342A29.9Very low30.7Very low64 Ų64159.4 Ų159.453%0.52974%0.739SS.*  cis-174.5146.4-22.600000107.9
343V30.9Very low30.8Very low99 Ų99160.3 Ų160.360%0.674%0.743SS**  trans64.8151167.5177.10000114.3E345V343-E345 WeakPolarHBondContact CA-OE2 3.47Å
344Q26.4Very low31Very low137 Ų137160.9 Ų160.964%0.6475%0.748SS**  cis-98.5171.8-13.7-53.2172.5-101.800109.5E346Q344-E346 WeakPolarHBondContact CB-OE2 3.29Å; Q344-E346 WeakPolarHBondContact CG-OE2 3Å; Q344-E346 PolarHBondContact NE2-OE1 2.99Å; Q344-E346 PolarHBondContact NE2-OE2 3.19Å
345E31Very low31.3Very low127 Ų127157.9 Ų157.959%0.59374%0.741SS**  cis70.7170.313.2-53.590.2-108.300112.1V343V343-E345 WeakPolarHBondContact CA-OE2 3.47Å
346E29.7Very low31.3Very low111 Ų111152.9 Ų152.952%0.51972%0.722SS.*  cis-141.5155.80.1-66.493.360.900110.5Q344Q344-E346 WeakPolarHBondContact CB-OE2 3.29Å; Q344-E346 WeakPolarHBondContact CG-OE2 3Å; Q344-E346 PolarHBondContact NE2-OE1 2.99Å; Q344-E346 PolarHBondContact NE2-OE2 3.19Å
347E34Very low31.6Very low161 Ų161147.8 Ų147.875%0.75271%0.707SS**  trans51.7-179.3159.3-7664-74.800120.3
348E31.8Very low32Very low180 Ų180141.4 Ų141.484%0.84169%0.686SS**  cis-135.9169.110.4-60.8164.5126.200108.8
349E34Very low32.3Very low169 Ų169138.7 Ų138.779%0.7968%0.677SS**  cis85.6130.324.3-63.8177.6156.500114.9
350D30.9Very low32.6Very low163 Ų163136.5 Ų136.587%0.87268%0.677SS**  cis-135.2-140.411.1-75.3-43.8000115.6
351E34.2Very low33Very low199 Ų199137.1 Ų137.193%0.9369%0.687SS**  trans-147.4-163.9-153.2-159.1157.5-121.600117.8
352E32.8Very low33.5Very low184 Ų184139.9 Ų139.986%0.8669%0.687SS**  trans79.9169.2-179.3-69.7-78.425.200118.8
353E31.5Very low33.9Very low180 Ų180145.7 Ų145.784%0.84170%0.704SS**  cis-155.2177.317.9-161.3-177.5-135.200113
354E36.2Very low33.9Very low163 Ų163149 Ų14976%0.76271%0.712SS**  trans-146.7164178.5-120.9-161.3-16700117
355K35.5Very low34.3Very low144 Ų144151 Ų15163%0.62672%0.722SS**  trans104.9133.9140.8-91.6179173-61.10128.6
356D34.6Very low34.5Very low66 Ų66154.1 Ų154.135%0.35374%0.736SS.*  trans52.5147.3136.5-63.8-13.8000126.7P544 T545D356-P544 WeakPolarHBondContact O-CG 3.24Å; D356-T545 PolarHBondContact OD1-OG1 3.17Å
357G33Very low34.8Very low35 Ų35158.1 Ų158.136%0.36176%0.755SS.*  trans134.572.8178.800000115.3P544 T545G357-P544 CarbonylContact O-C 3.52Å; G357-P544 VanDerWaalsContact O-CD 3.29Å; G357-P544 WeakPolarHBondContact O-CD 3.44Å; G357-T545 VanDerWaalsContact N-N 3.14Å; G357-T545 PolarHBondContact N-O 3.03Å
358K38.1Very low35Very low106 Ų106159.3 Ų159.346%0.46176%0.761SS.*  72.1108.487.6-58.2-164.1-163.4-151.10115.1S546 S547K358-S546 VanDerWaalsContact CE-C 3.49Å; K358-S546 WeakPolarHBondContact CE-O 3.15Å; K358-S546 VanDerWaalsContact CG-C 3.45Å; K358-S547 PolarHBondContact NZ-O 3.11Å; K358-S547 PolarHBondContact NZ-OG 3.37Å; K358-S547 VanDerWaalsContact NZ-OG 3.09Å
359D37.3Very low35.1Very low104 Ų104159.9 Ų159.956%0.55676%0.763SS**  74.7149.680.5-44.4-19.4000111.8S546 S547D359-S546 PolarHBondContact OD1-N 2.89Å; D359-S546 VanDerWaalsContact OD2-C 3.25Å; D359-S546 WeakPolarHBondContact OD2-CA 3.33Å; D359-S547 PolarHBondContact OD2-N 2.87Å
360E36Very low35.3Very low177 Ų177160.5 Ų160.583%0.82777%0.766SS**  cis-128-136.512.8-66.4171.5124.100112
361E38.4Very low35.4Very low194 Ų194161.4 Ų161.491%0.90777%0.765SS**  trans-112.6-133.6-170.8-57.1-16769.600116.6
362E38.2Very low35.3Very low175 Ų175157.5 Ų157.582%0.81875%0.751SS**  cis-160.8158.814.9-64.8169.8116.900112.2
363E36.8Very low35.1Very low186 Ų186154.2 Ų154.287%0.86975%0.747SS**  trans57.7165.6159.4-61.3-178.9161.700122.5
364E32Very low34.9Very low168 Ų168153.4 Ų153.479%0.78574%0.74SS**  cis-141.8157.314.9-66.7174.2139.700114.6
365E33.2Very low34.6Very low180 Ų180156.3 Ų156.384%0.84175%0.746SS**  trans28.6174.3142-60.3-174.417300125.4
366E36.4Very low34.3Very low191 Ų191157.7 Ų157.789%0.89376%0.755SS**  -161.1164.4-64.2-128.3-176.2-157.600110.6
367E35Very low33.9Very low195 Ų195162.7 Ų162.791%0.91177%0.773SS**  trans-148.7174.3-166.6-148.8171.4-146.400115.1
368E38.3Very low33.7Very low187 Ų187166.9 Ų166.987%0.87479%0.794SS**  trans-80.3171.4-175.3-63.6-174.392.400114.3
369E35.3Very low33.7Very low191 Ų191167.2 Ų167.289%0.89381%0.807SS**  cis-137.6169.521.6-56.5175.496.800113.6
370E37Very low33.1Very low183 Ų183166.4 Ų166.486%0.85582%0.815SS**  trans-95.1172.3169-62.6-165.1126.200112.6
371E33.8Very low32.7Very low181 Ų181165.2 Ų165.285%0.84681%0.813SS**  cis-148.5-170.512.8-147-156.4152.200113.1
372D32.4Very low32.3Very low118 Ų118161.9 Ų161.963%0.63181%0.806SS**  trans-90.8152.3-162.3174.948.9000117.4K374D372-K374 PolarHBondContact OD1-N 2.98Å; D372-K374 VanDerWaalsContact OD1-N 3.12Å
373C27.3Very low32.2Very low114 Ų114159.9 Ų159.977%0.7781%0.809SS**  -173.393.5123.9-105.50000116.2
374K27.3Very low31.8Very low163 Ų163155.1 Ų155.171%0.70980%0.801SS**  66.7102.7123.6-147.4167.5-163.9152.20123D372D372-K374 PolarHBondContact OD1-N 2.98Å; D372-K374 VanDerWaalsContact OD1-N 3.12Å
375Y30.7Very low31.5Very low225 Ų225154.9 Ų154.988%0.88281%0.805SS**  trans85154.6141.2-86.4-118.4000122.1
376Q28.1Very low31.1Very low173 Ų173151.9 Ų151.981%0.80880%0.803SS**  trans-124.9149.2-159.3-63-175.6-5.400115.6
377K26.9Very low30.9Very low171 Ų171149.1 Ų149.174%0.74380%0.802SS**  trans59.6119.8131.6-174.1-177.8-177179.40121.2
378P30.1Very low30.5Very low123 Ų123148 Ų14880%0.79980%0.801SS**  trans-97.5147160.936.5-31.3000113.7
379P37.5Very low30Very low112 Ų112143.6 Ų143.673%0.72780%0.797SS**  trans-135.3157.7156.637.9-24.4000115.3
380A24.9Very low29.6Very low88 Ų88138 Ų13873%0.72779%0.791SS**  trans74.9110.7153.200000123.2
381L27Very low29.3Very low151 Ų151134.2 Ų134.279%0.79178%0.784SS**  60.7117.9121.9-57.6177.1000124
382T30.7Very low28.9Very low124 Ų124134.5 Ų134.576%0.76179%0.785SS**  trans65.3145.313760.60000120.6
383P35.5Very low28.6Very low134 Ų134133.6 Ų133.687%0.8779%0.789SS**  -138.1-154.392.239.9-25.1000113.5
384A27.6Very low28.6Very low86 Ų86135.8 Ų135.871%0.71179%0.787SS**  trans-130.8-171-156.100000116.5
385D25.9Very low28.4Very low163 Ų163133.9 Ų133.987%0.87278%0.781SS**  trans89.8144.3163.1-66.9-57.7000121.7
386C25.7Very low28.2Very low117 Ų117130.9 Ų130.979%0.79177%0.768SS**  trans-115.2172.1-176.2-65.90000111.5
387P30.9Very low28Very low133 Ų133128.4 Ų128.486%0.86476%0.764SS**  -135.4163.912114.96.4000116.2
388L26.9Very low27.8Very low170 Ų170126.5 Ų126.589%0.8976%0.758SS**  trans-91.9172.5176.4-68166.5000110.8
389A27.9Very low27.6Very low96 Ų96125.1 Ų125.179%0.79375%0.752SS**  cis-175.6172-26.200000108.8
390G27.3Very low27Very low74 Ų74126.7 Ų126.776%0.76375%0.754SS**  trans152.4145.6166.300000113.7
391S30.5Very low27Very low103 Ų103128.1 Ų128.172%0.7276%0.758SS**  cis-164143.7157.50000113.9
392Q26.8Very low26.8Very low186 Ų186126.1 Ų126.187%0.86976%0.757SS**  trans66.5152.8155.5-66173.611.400118.1
393S25.6Very low27.3Very low100 Ų100125.3 Ų125.370%0.69975%0.754SS**  cis-144.6139.41.138.50000109.5
394H26Very low26.8Very low159 Ų159127.4 Ų127.474%0.73675%0.75SS**  63.1139.674-86.5-127.4000114.3
395E23.2Very low26.8Very low124 Ų124130.7 Ų130.758%0.57975%0.751SS**  cis-164.2173.7-3.3-125.8-175.7126.500109.4
396R26.1Very low26.8Very low162 Ų162130.9 Ų130.961%0.61175%0.751SS**  cis-126.2-102.8-3.1-163.6170.3168.881.16.6111.4E398R396-E398 WeakPolarHBondContact CD-OE2 3.16Å; R396-E398 IonicContact CZ-OE1 2.69Å; R396-E398 IonicContact CZ-OE2 2.7Å; R396-E398 IonicContact NE-OE1 3.65Å; R396-E398 PolarHBondContact NE-OE1 3.05Å; R396-E398 IonicContact NE-OE2 2.95Å; R396-E398 PolarHBondContact NE-OE2 3.11Å; R396-E398 IonicContact NH2-OE1 2.73Å; R396-E398 PolarHBondContact NH2-OE1 2.97Å; R396-E398 IonicContact NH2-OE2 3.57Å
397T25.6Very low26.8Very low120 Ų120133.8 Ų133.874%0.73675%0.751SS**  cis-164.5122.9-9.8-37.30000104.3
398E23Very low26.6Very low131 Ų131133.9 Ų133.961%0.61275%0.748SS**  74.3127.857.3-71.9-173.5160.100116R396R396-E398 WeakPolarHBondContact CD-OE2 3.16Å; R396-E398 IonicContact CZ-OE1 2.69Å; R396-E398 IonicContact CZ-OE2 2.7Å; R396-E398 IonicContact NE-OE1 3.65Å; R396-E398 PolarHBondContact NE-OE1 3.05Å; R396-E398 IonicContact NE-OE2 2.95Å; R396-E398 PolarHBondContact NE-OE2 3.11Å; R396-E398 IonicContact NH2-OE1 2.73Å; R396-E398 PolarHBondContact NH2-OE1 2.97Å; R396-E398 IonicContact NH2-OE2 3.57Å
399S24.8Very low26.6Very low95 Ų95131.7 Ų131.766%0.66474%0.742SS**  cis-165.1173.2-2.460.70000114.4
400N24Very low26.5Very low144 Ų144134.3 Ų134.377%0.7774%0.741SS**  trans84.8127144.8-85-48.1000125.2
401S25.4Very low26.5Very low118 Ų118136.1 Ų136.183%0.82574%0.743SS**  trans74.9144.5140.561.90000122.9
402S23.2Very low26.5Very low109 Ų109136 Ų13676%0.76274%0.737SS**  trans-107.7-170.9177.661.30000110.3
403P41.6Very low26.7Very low107 Ų107136.8 Ų136.870%0.69574%0.738SS**  cis-143.3-168.99.933.4-7.1000117.6
404F24.9Very low26.8Very low179 Ų179135.1 Ų135.179%0.78574%0.737SS**  trans87.6111.7162.7-89.3-83.9000122.1
405E27.5Very low26.9Very low155 Ų155133.4 Ų133.472%0.72474%0.743SS**  trans20.8123.5149.7-58.5-175.6127.100122.1
406N26.7Very low27.6Very low166 Ų166131.7 Ų131.789%0.88874%0.737SS**  -160.5155.1105.2-111.7-74.2000115.8
407K24.7Very low27.8Very low179 Ų179132.2 Ų132.278%0.77875%0.748SS**  trans-80.5126.5-165.9165.4-166.1176.2-176.90115.1
408V27.6Very low28.1Very low134 Ų134132.7 Ų132.781%0.81274%0.737SS**  trans-141.4132.2153179.20000110.1
409T25.7Very low28.5Very low124 Ų124133 Ų13376%0.76174%0.741SS**  trans-92.6132.1174-19.90000110.4
410I26.6Very low28.8Very low151 Ų151133.3 Ų133.377%0.77474%0.739SS**  trans-107121.3168.3-57.3177.4000107.6
411S26.9Very low29Very low113 Ų113130.6 Ų130.679%0.7973%0.731SS**  trans-119.9137.5174.8-1780000109
412T30.4Very low29.2Very low99 Ų99130.5 Ų130.561%0.60773%0.73SS**  trans-156.1141-176.9-42.20000110.5
413F30.3Very low29.5Very low203 Ų203131 Ų13189%0.8973%0.734SS**  trans66.6143.6-174.2-58.9-83.8000115.4
414G29Very low28.9Very low65 Ų65129.1 Ų129.167%0.6773%0.734SS**  cis-169.6150.8-5.300000111.9
415S28.5Very low29.1Very low123 Ų123129.6 Ų129.686%0.8674%0.744SS**  trans-75.4146.3-170.5-49.10000114.4
416I36.2Very low29.1Very low89 Ų89125.3 Ų125.346%0.45674%0.741SS.*  trans-130.1131.7167-58.8167.9000107.9V100 L101V100-I416 HydrophobicContact CB-CD1 4.37Å; V100-I416 HydrophobicContact CG1-CD1 3.98Å; L101-I416 HydrophobicContact CD2-CD1 3.56Å; L101-I416 HydrophobicContact CD2-CG1 4.04Å; L101-I416 HydrophobicContact CG-CD1 4.03Å
417M31.3Very low29.1Very low173 Ų173121.7 Ų121.785%0.85273%0.729SS**  trans-75.4141.2178.5-64.7-178.6-71.700111.8
418R32.8Very low29.5Very low130 Ų130119.4 Ų119.449%0.49173%0.73SS.*  trans-121134.3157.8-166.2-172.7-75.1-169.50.3109.2E162 Y173 T420E162-R418 IonicContact OE2-NH1 2.73Å; E162-R418 PolarHBondContact OE2-NH1 2.93Å; Y173-R418 PolarHBondContact OH-NH2 2.91Å; R418-T420 HydrophobicContact CG-CG2 4.14Å
419I30.6Very low29.5Very low138 Ų138117.6 Ų117.671%0.70872%0.723SS**  trans-105.5119169.3-54.2175.7000107.1
420T31.2Very low29.6Very low100 Ų100120.3 Ų120.361%0.61372%0.724SS**  trans-11291.417938.50000111.2R418 S422R418-T420 HydrophobicContact CG-CG2 4.14Å; T420-S422 PolarHBondContact O-N 2.99Å; T420-S422 VanDerWaalsContact O-N 3.12Å
421S29Very low29.7Very low87 Ų87119.2 Ų119.261%0.60872%0.718SS**  trans-80.383.3171.7-66.50000110.7S423S421-S423 PolarHBondContact O-N 3.02Å
422S29.1Very low29.7Very low116 Ų116124 Ų12481%0.81172%0.719SS**  trans-72.788.8-17748.20000113.4T420 G424T420-S422 PolarHBondContact O-N 2.99Å; T420-S422 VanDerWaalsContact O-N 3.12Å; S422-G424 VanDerWaalsContact C-N 3.3Å; S422-G424 PolarHBondContact O-N 2.73Å
423S28.9Very low29.5Very low120 Ų120128.2 Ų128.284%0.83973%0.729SS**  trans-80.570172.8-63.10000113S421S421-S423 PolarHBondContact O-N 3.02Å
424G28.8Very low29.3Very low67 Ų67126.4 Ų126.469%0.69173%0.727SS**  trans-90.8115.5169.500000112.7S422S422-G424 VanDerWaalsContact C-N 3.3Å; S422-G424 PolarHBondContact O-N 2.73Å
425L29.8Very low29.2Very low189 Ų189127.9 Ų127.999%0.9973%0.727SS**  trans-90.5122.8162.1-63.3174.6000108.8
426G27.3Very low29.3Very low66 Ų66127.7 Ų127.768%0.6873%0.725SS**  cis164.3125.8-8.700000111.7
427S26.1Very low28.7Very low90 Ų90127.9 Ų127.963%0.62974%0.735SS**  trans-153.3136.1166.4-105.30000112
428T33Very low28.7Very low130 Ų130124 Ų12480%0.79873%0.725SS**  trans-99.7136.1-166.561.90000112.7
429C28.8Very low28.6Very low97 Ų97124.7 Ų124.766%0.65574%0.738SS**  trans-140146.1156.1-156.80000112.3
430K27.6Very low28.3Very low181 Ų181126.7 Ų126.779%0.78774%0.738SS**  trans-93.8161.8174.4-58.3157.2-173.7166.70106.7
431I28.5Very low28.1Very low128 Ų128129.9 Ų129.966%0.65674%0.743SS**  -174.8163.352.7-135.6144000110.2
432R26.9Very low28.5Very low214 Ų214129.1 Ų129.181%0.80874%0.737SS**  trans16.4124.8159.9-52.8163.7-163.7157.73.6118.6
433K25.1Very low28.5Very low186 Ų186128 Ų12881%0.80973%0.729SS**  cis77.299.132.6-162.2176.8-176.9171.80117
434I26.9Very low28.5Very low165 Ų165128.8 Ų128.885%0.84672%0.717SS**  trans-143.1111.3137.537.6175000104
435S27.5Very low28.6Very low96 Ų96130.7 Ų130.767%0.67172%0.72SS**  73.1126.166.3-62.50000112.7
436S29.5Very low28.6Very low119 Ų119129.3 Ų129.383%0.83271%0.712SS**  cis-108.8-158.8-8.655.90000110.6
437S25.1Very low28.5Very low94 Ų94131.7 Ų131.766%0.65772%0.719SS**  cis-148.2161.3-1.4-163.40000107.3
438S30.8Very low28.5Very low92 Ų92132.8 Ų132.864%0.64371%0.712SS**  cis81.4131.320.254.90000117.2
439D29.3Very low29.5Very low143 Ų143131.6 Ų131.677%0.76571%0.707SS**  cis-164.4172.10.4-123.238.9000109.5
440Y24.9Very low30.4Very low180 Ų180132 Ų13271%0.70671%0.708SS**  cis-160.9-178.82.3-171.3-110.8000111.7
441K26.5Very low30.5Very low167 Ų167131.7 Ų131.773%0.72671%0.71SS**  trans-73.7-175.9172.9-105.1175.3-178.5-179.50113.7
442P39.1Very low30.5Very low72 Ų72132.3 Ų132.347%0.46872%0.719SS.*  cis-167.9-17644.547.7-22.7000122.9
443S27.3Very low30.5Very low93 Ų93127.2 Ų127.265%0.6572%0.716SS**  trans80.6129.7134.9-77.20000127.7
444K29.6Very low30.5Very low136 Ų136123.2 Ų123.259%0.59172%0.717SS**  trans70.4162.4143.7-59.4168.3-173.9178.40117E1011K444-E1011 IonicContact NZ-OE1 3.84Å; K444-E1011 PolarHBondContact NZ-OE1 2.89Å
445S30.7Very low32.1Very low107 Ų107120.8 Ų120.875%0.74871%0.712SS**  cis-152.614714.247.50000111.1
446L30.4Very low32.8Very low159 Ų159121.9 Ų121.983%0.83272%0.717SS**  71.3129.178.4-152.887.1000117.7
447S26Very low32.7Very low117 Ų117122.3 Ų122.382%0.81872%0.715SS**  trans-149.5175.6159.459.90000111.3
448K25.7Very low32.8Very low112 Ų112124.9 Ų124.949%0.48772%0.72SS.*  trans-144.9-165.4-151.5-129.5-169.3177.5179.40115.4
449P54.3Low32.5Very low105 Ų105129.1 Ų129.168%0.68273%0.73SS**  trans-113.9-161.3-139.640.8-19.5000114.7
450P46.5Very low32.4Very low105 Ų105129.8 Ų129.868%0.68273%0.733SS**  -155.1173.691.640.8-20.8000119.2
451Q29.7Very low32.6Very low176 Ų176125.4 Ų125.482%0.82273%0.734SS**  trans70.6173.2170.9-46-49.18800117.6
452V28.9Very low32.6Very low140 Ų140122.7 Ų122.785%0.84874%0.737SS**  cis-149.7-172.59.776.10000112.6
453S26Very low32Very low108 Ų108126.2 Ų126.276%0.75575%0.751SS**  trans-135141-160.5-520000119.7
454A25.3Very low32Very low101 Ų101130.3 Ų130.384%0.83576%0.757SS**  trans72.6155135.300000125.4
455P61.6Low31.9Very low114 Ų114130.1 Ų130.174%0.7476%0.762SS**  trans-123.2-179.6-167.645.4-31.3000116.6
456P42.7Very low31.6Very low119 Ų119134.3 Ų134.377%0.77377%0.767SS**  -144.1155104.823-0.2000114.4
457V26.3Very low31.4Very low128 Ų128134.2 Ų134.278%0.77677%0.766SS**  88.2129.160.9178.80000116.7
458L27.1Very low31.4Very low149 Ų149132.3 Ų132.378%0.7876%0.757SS**  trans102130.2154.8-96.2166.8000124.6
459E25.4Very low32Very low181 Ų181133.1 Ų133.185%0.84677%0.774SS**  trans75.1173.3149.9-104.7170.8137.900124.7
460D26.3Very low31.9Very low156 Ų156133.8 Ų133.883%0.83478%0.778SS**  trans-143.5173.2-134.1-155-30.7000113.8
461A28.4Very low31.9Very low88 Ų88134.5 Ų134.573%0.72778%0.783SS**  trans69.7151.5168.200000118.8
462S27Very low32.2Very low111 Ų111132.4 Ų132.478%0.77678%0.776SS**  cis-170.2-168.5-22.3-170.80000109.6
463L27.5Very low32.9Very low145 Ų145132 Ų13276%0.75978%0.777SS**  trans88.1131.7177.7-49.8166.7000115.2
464K26.2Very low33.1Very low179 Ų179135.9 Ų135.978%0.77878%0.775SS**  cis-155.9146.3-3.7-160.683176-174.20111.7
465D28Very low33.5Very low133 Ų133138 Ų13871%0.71177%0.768SS**  trans-67160.1170.5-60-98000115.9
466K24.5Very low31.8Very low194 Ų194142.4 Ų142.484%0.84377%0.769SS**  -168.9101.8114.9-105.4174.1-179.4-174.40116.5
467I25.4Very low31.2Very low157 Ų157144.2 Ų144.281%0.80576%0.761SS**  53.5136.1122.7-60.9171.1000120.9
468A27.5Very low31.5Very low77 Ų77147.1 Ų147.164%0.63677%0.765SS**  trans-90.2-176.6-179.400000115.3
469P38.2Very low31.6Very low129 Ų129147 Ų14784%0.83876%0.761SS**  -146146.199.335.6-19.2000117.1
470P51.2Low31.7Very low119 Ų119144.2 Ų144.277%0.77376%0.761SS**  trans-116.7156.9-178.540.5-32.6000117.4
471P46.1Very low31.8Very low120 Ų120143.7 Ų143.778%0.77976%0.759SS**  trans-113.5172.8-179.441.7-35.1000116.9
472L36.4Very low32Very low132 Ų132148.1 Ų148.169%0.69176%0.761SS**  trans-152.9162.6167.9-73.4-179.7000111.3
473P44.9Very low32.2Very low132 Ų132152.1 Ų152.186%0.85777%0.765SS**  -140.2-161.7105.936.5-20.6000115.2
474R30Very low32.4Very low189 Ų189151 Ų15171%0.71377%0.769SS**  trans-139.2-176.1-159.5-57.4167.384.2178.94.2113.7
475E32.6Very low32.8Very low147 Ų147152.9 Ų152.969%0.68777%0.771SS**  trans90.8151167.6-58.8-143.6117.600116.9
476R26.7Very low33Very low205 Ų205155.4 Ų155.477%0.77478%0.778SS**  cis-151.5165.60.3-133.4169.4-156.5-179.818.3113.1
477R30Very low33.5Very low158 Ų158149.5 Ų149.560%0.59677%0.773SS**  trans-95.7167.8172.8-65.5-175.7-177.91678.1112.7
478H31.6Very low34.3Very low188 Ų188148.6 Ų148.687%0.8778%0.777SS**  trans-140.7162.4136.1-105.6-83.3000112.6
479H29.6Very low34.3Very low147 Ų147148.5 Ų148.568%0.68178%0.783SS**  trans-134.3147.2-176-84.4-0.1000111.5
480S27.8Very low34.5Very low122 Ų122153.9 Ų153.985%0.85379%0.787SS**  trans174.8155.5150.234.80000111.3
481N27.9Very low34.1Very low146 Ų146153.9 Ų153.978%0.78179%0.787SS**  cis-155.1162-31.1-163.8-4.5000109.4
482K33.1Very low33.3Very low181 Ų181159.6 Ų159.679%0.78779%0.793SS**  trans-67.7147.7178-69.7170.6175.2167.60113.1
483K30.4Very low32.9Very low195 Ų195156.9 Ų156.985%0.84880%0.797SS**  154.9129.4120.4-80.2149.9-165.7172.20112.2
484S31.3Very low32.2Very low121 Ų121156 Ų15685%0.84679%0.793SS**  -176.9159.4117.6-165.30000110.9
485R35.6Very low32.1Very low219 Ų219157.1 Ų157.183%0.82680%0.803SS**  trans-127.5138.6164.6-78.4-174.6174.6-136.20.7108.2
486H31.6Very low31.8Very low186 Ų186157 Ų15786%0.86181%0.808SS**  trans151.5149138.8-77.9-57.9000110
487G35.9Very low31.9Very low70 Ų70157.2 Ų157.272%0.72281%0.808SS**  trans-83.6-162.7160.500000110.5
488P41.4Very low31.8Very low138 Ų138157.9 Ų157.990%0.89682%0.819SS**  cis-128.2-163.912.342.8-27.7000112.4
489G27.8Very low31.7Very low74 Ų74159.8 Ų159.876%0.76382%0.818SS**  trans125.3130.4150.700000115.9
490R43.2Very low31.7Very low243 Ų243162.8 Ų162.892%0.91782%0.823SS**  trans-97.5144.8162.7-151.1-178-167.5-1393.2107.3
491P43Very low31.7Very low119 Ų119163.4 Ų163.477%0.77382%0.817SS**  -135.5-172.7128.736-24000114.5
492R28.5Very low31.7Very low240 Ų240163.8 Ų163.891%0.90681%0.814SS**  trans-64.2163.8-175-61.6140.3176.5-102.91111.2
493G27.2Very low31.4Very low75 Ų75161 Ų16177%0.77381%0.808SS**  71.3132.851.700000109.6
494S32Very low31.6Very low113 Ų113158.2 Ų158.279%0.7980%0.798SS**  cis-163.8-171.932.855.70000111.6
495K27.6Very low31.7Very low212 Ų212159.4 Ų159.492%0.92279%0.789SS**  trans-145.586.6162.1-116.5-172.6-177.6-176.60113.1
496N25.7Very low31.5Very low146 Ų146155.7 Ų155.778%0.78178%0.781SS**  trans179.8147.6159-119-7000107
497R28.8Very low31.5Very low208 Ų208153.5 Ų153.579%0.78577%0.771SS**  cis-174.9157.4-33.1170.5171.3176.4163.21.2104.7
498E27.6Very low31.2Very low173 Ų173158.2 Ų158.281%0.80877%0.774SS**  trans77.5154.7168-138163.4113.700117.2
499R29.2Very low30.6Very low227 Ų227155.2 Ų155.286%0.85776%0.761SS**  -166.1172-58.6-135.8-175.4-171-89.45110.4
500R30.3Very low30.6Very low211 Ų211159 Ų15980%0.79676%0.763SS**  trans85.4142.4-176.5-53-175-165.1-121.20.8112.6
501D27.2Very low30Very low135 Ų135151.8 Ų151.872%0.72276%0.756SS**  cis-101156.815.2-80.7-164.7000112.3
502E28.2Very low29.8Very low154 Ų154152.3 Ų152.372%0.7276%0.759SS**  55.5128.682.4-80.9165.964.100114.4
503D27.8Very low29.8Very low121 Ų121145.2 Ų145.265%0.64775%0.752SS**  cis-164.9170-8.3-157.7-0.3000112.3
504H32.8Very low31.4Very low138 Ų138147.1 Ų147.164%0.63975%0.751SS**  trans66.5151.1169.5-60.892.8000117.9
505H33.7Very low32Very low146 Ų146147.6 Ų147.668%0.67675%0.751SS**  cis-150.41463.9-99.4-55.5000112.6
506H31.3Very low32.9Very low140 Ų140142.9 Ų142.965%0.64874%0.742SS**  trans66.8125141.6-73.7-61.9000128
507H31.7Very low34.7Very low141 Ų141142 Ų14265%0.65374%0.744SS**  trans81.5125.5138.1-66.1-51.9000124.7
508H30.5Very low34.8Very low168 Ų168137.2 Ų137.278%0.77875%0.75SS**  trans36.7150.7138.2-56.3-61.4000123.1
509A28.8Very low34.8Very low75 Ų75136.8 Ų136.862%0.6275%0.752SS**  cis-170.3165.4-17.500000110.9
510D28.4Very low34.8Very low153 Ų153131.2 Ų131.282%0.81875%0.748SS**  trans35.9120.8155.7-61.6-57.5000124.3
511A29.8Very low34.9Very low92 Ų92126 Ų12676%0.7674%0.744SS**  52.5174.112500000121.9
512P38.2Very low35.1Very low131 Ų131124.3 Ų124.385%0.85174%0.742SS**  cis-121.5-143.3-10.342.6-26000112.8
513A30.2Very low35.1Very low90 Ų90124 Ų12474%0.74475%0.745SS**  trans-122.5-147.7-17200000115.1
514P60Low35.2Very low115 Ų115127.6 Ų127.675%0.74775%0.751SS**  trans-82.5176.1-131.744.6-40.3000115.1
515P44.2Very low35Very low124 Ų124128.5 Ų128.581%0.80576%0.755SS**  -147.2-124.189.730.4-3.3000116.8
516P46Very low34.8Very low112 Ų112126.3 Ų126.373%0.72776%0.756SS**  -130.4-174.2-109.143.2-24.6000116.4
517P63.8Low36Very low127 Ų127125.4 Ų125.483%0.82576%0.763SS**  trans-101.2146.2169.936.8-31.4000114.7
518A30.6Very low36.1Very low109 Ų109124 Ų12490%0.90177%0.769SS**  trans-155.4169.5172.500000113.7
519L28.5Very low36.3Very low164 Ų164121.1 Ų121.186%0.85977%0.767SS**  trans-101173.6-160.1-61.8164.4000116.1
520S29Very low36.5Very low110 Ų110122.8 Ų122.877%0.76978%0.775SS**  trans72.1160.1150.6-76.20000118.4
521S31.6Very low36.6Very low101 Ų101120.4 Ų120.471%0.70677%0.77SS**  cis-171171.3-8.8-103.10000107.9
522S32.2Very low36.9Very low100 Ų100120.9 Ų120.970%0.69977%0.768SS**  cis-165.7-153.3-12-88.30000105.9
523L29Very low36.6Very low147 Ų147122.4 Ų122.477%0.7777%0.768SS**  trans156.1117.5136.4-80.1176.9000114.3
524Y29.5Very low36.6Very low197 Ų197122.5 Ų122.577%0.77376%0.763SS**  trans56147.3144.9-71-104.8000121.4
525Q27.7Very low35.2Very low157 Ų157125.9 Ų125.973%0.73477%0.769SS**  cis-159.3161.1-13-161.467.1-6.500110.5
526S30.4Very low35.2Very low99 Ų99125.8 Ų125.869%0.69277%0.768SS**  trans-78.5176.4-174.5-35.10000115.5
527P56.8Low34.3Very low121 Ų121124.6 Ų124.679%0.78677%0.768SS**  -114-153.761.413.111.3000112.4
528S32Very low33.1Very low113 Ų113128.3 Ų128.379%0.7977%0.771SS**  cis-154.6-169.222.3-56.20000114.1
529S34.6Very low33.7Very low106 Ų106128.9 Ų128.974%0.74177%0.765SS**  trans-98.9148.9-160-47.50000119.1
530S33Very low33.8Very low110 Ų110126 Ų12677%0.76976%0.76SS**  trans67.2138.2138.462.60000120.3
531S32Very low33.9Very low103 Ų103127.4 Ų127.472%0.7276%0.763SS**  cis-146.1152.513.7-50.10000113.8
532S34.6Very low33.9Very low103 Ų103130 Ų13072%0.7277%0.769SS**  trans18.6145.9141.2620000120.9
533L33.5Very low35.3Very low162 Ų162130.6 Ų130.685%0.84877%0.77SS**  cis-173175.50.4-105.9173.6000105.1
534S29.3Very low36.2Very low92 Ų92126.5 Ų126.564%0.64375%0.752SS**  cis-146.1171.210.4-100.10000111
535H30.2Very low36.3Very low186 Ų186120.4 Ų120.486%0.86174%0.735SS**  trans-122.9-177.5160-81.9-70.1000107.6
536P43.9Very low36.6Very low122 Ų122115.7 Ų115.779%0.79272%0.72SS**  cis-137-157.914.446.6-26000112.7
537A28.2Very low36.8Very low87 Ų87113.9 Ų113.972%0.71971%0.707SS**  cis-150.5160.4-000000112.1
538F39.1Very low35.8Very low206 Ų206112.6 Ų112.690%0.90470%0.701SS**  trans-96.2158.9155.9-76.5-79.8000108.3
539P42.6Very low36Very low120 Ų120112.2 Ų112.278%0.77970%0.698SS**  -154.4-170.173.742.3-20.3000117.6
540S31.2Very low35.9Very low105 Ų105111.7 Ų111.773%0.73470%0.695SS**  trans-33.5165.4164.8-42.80000116.8
541T30.4Very low35.8Very low138 Ų138112.3 Ų112.385%0.84769%0.694SS**  cis-165.7-172.945.5-36.60000111.8
542L32.6Very low35.9Very low157 Ų157113 Ų11382%0.82269%0.694SS**  trans-113.7170170.6-63.7168.5000110.3
543P60.6Low35.7Very low112 Ų112113.3 Ų113.373%0.72770%0.696SS**  cis-110.1-103.1-32.835.8-18.1000108.7
544P48.5Very low35.5Very low61 Ų61110.7 Ų110.740%0.39669%0.692SS.*  cis-103.8-107.7-25.45.120.5000116.5D356 G357D356-P544 WeakPolarHBondContact O-CG 3.24Å; G357-P544 CarbonylContact O-C 3.52Å; G357-P544 VanDerWaalsContact O-CD 3.29Å; G357-P544 WeakPolarHBondContact O-CD 3.44Å
545T30.9Very low35.7Very low68 Ų68111.7 Ų111.742%0.41770%0.698SS.*  trans-151.9136.4-153.230.50000119.3D356 G357D356-T545 PolarHBondContact OD1-OG1 3.17Å; G357-T545 VanDerWaalsContact N-N 3.14Å; G357-T545 PolarHBondContact N-O 3.03Å
546S33.8Very low35.8Very low58 Ų58108 Ų10841%0.40669%0.694SS.*  trans51.2122.2138.969.90000123.9K358 D359K358-S546 VanDerWaalsContact CE-C 3.49Å; K358-S546 WeakPolarHBondContact CE-O 3.15Å; K358-S546 VanDerWaalsContact CG-C 3.45Å; D359-S546 PolarHBondContact OD1-N 2.89Å; D359-S546 VanDerWaalsContact OD2-C 3.25Å; D359-S546 WeakPolarHBondContact OD2-CA 3.33Å
547S34.8Very low35.4Very low62 Ų62106.7 Ų106.743%0.43469%0.693SS.*  141.3149.4116.960.40000118.5K358 D359K358-S547 PolarHBondContact NZ-O 3.11Å; K358-S547 PolarHBondContact NZ-OG 3.37Å; K358-S547 VanDerWaalsContact NZ-OG 3.09Å; D359-S547 PolarHBondContact OD2-N 2.87Å
548S35.7Very low35.6Very low93 Ų93113.3 Ų113.365%0.6570%0.699SS**  trans68.5135.2150.570.60000119
549S35.6Very low35.3Very low105 Ų105107.6 Ų107.673%0.73469%0.685SS**  cis-158.416848.7-54.60000111.6
550S33.2Very low34.5Very low95 Ų95110.4 Ų110.466%0.66469%0.686SS**  cis-179.4172.84457.50000113.5
551T31.7Very low34.4Very low123 Ų123110.5 Ų110.576%0.75569%0.686SS**  trans70145.2162.870.10000118.7
552T32.6Very low34.3Very low118 Ų118109 Ų10972%0.72469%0.688SS**  cis-161.1150.3-11.713.70000111.9
553S30.7Very low34Very low109 Ų109104.6 Ų104.676%0.76268%0.68SS**  trans63.5160.9152.469.80000119.5
554S29.8Very low32.5Very low108 Ų108110.4 Ų110.476%0.75569%0.688SS**  cis-165.5148.6-28.4-91.10000110
555S32.7Very low31.5Very low112 Ų112112 Ų11278%0.78370%0.7SS**  trans23.5131.8155.1-43.60000120.4
556S33.8Very low31.3Very low110 Ų110115.8 Ų115.877%0.76972%0.718SS**  -175.514953.6-54.70000114.5
557A35.1Very low31Very low94 Ų94117.1 Ų117.178%0.77773%0.727SS**  trans60142.8147.500000120.8
558R32.3Very low30.8Very low225 Ų225121.7 Ų121.785%0.84975%0.746SS**  cis-161.4138.6-4.7-119.4173.4177.1179-1.7110.4
559S33.1Very low30.8Very low86 Ų86125.4 Ų125.460%0.60176%0.757SS**  trans25.1149.3138-39.90000121.3
560F26Very low30.6Very low180 Ų180123.2 Ų123.279%0.78975%0.751SS**  cis-152.7145.828.6-65-89.3000109.2
561S27.5Very low30.6Very low107 Ų107125 Ų12575%0.74876%0.764SS**  72.4131.472.3-38.80000117.4
562A29.2Very low30.5Very low107 Ų107122.5 Ų122.588%0.88476%0.763SS**  trans66.1157.2169.400000117.6
563G25.7Very low30.5Very low64 Ų64124.9 Ų124.966%0.6677%0.769SS**  cis126.3169.4-2.300000113.7
564R30.5Very low30.3Very low234 Ų234129.5 Ų129.588%0.88377%0.772SS**  trans79127.5-172.9-50164.666.91752.9113.1
565S26.5Very low30.3Very low95 Ų95128.2 Ų128.266%0.66476%0.763SS**  cis83.2142.220.8960000117.3
566N27Very low30.2Very low147 Ų147127.5 Ų127.579%0.78676%0.758SS**  trans69.9154162.3-78.3-11.9000119.7
567S27.1Very low30.1Very low85 Ų85129 Ų12959%0.59476%0.757SS**  cis174.7150.5-30.4-103.80000108.5
568L30.2Very low29.9Very low159 Ų159133.2 Ų133.283%0.83276%0.757SS**  trans63.6169171-54.3151.4000112.5
569L36.1Very low29.8Very low170 Ų170129 Ų12989%0.8975%0.752SS**  cis-120.21690.6-61148.6000106.8
570G31.2Very low30.8Very low59 Ų59130.1 Ų130.161%0.60876%0.756SS**  cis150.211616.300000105.5
571S33Very low30.9Very low133 Ų133128.6 Ų128.693%0.9376%0.756SS**  85.1104.394.5-63.30000115.5
572G30.8Very low30.9Very low71 Ų71128.9 Ų128.973%0.73275%0.753SS**  trans92.3163.3163.600000116
573I31.5Very low31Very low167 Ų167131.8 Ų131.886%0.85675%0.753SS**  cis-166156.4-2.821.9169.9000107.5
574Y26.9Very low31.1Very low206 Ų206132.7 Ų132.781%0.80876%0.762SS**  cis-155.4179.1-5.2-177.9-107.9000109.7
575S31Very low31Very low81 Ų81125.4 Ų125.457%0.56676%0.76SS**  trans-65.7155.9177.4-45.30000115.2
576S30.5Very low31.1Very low97 Ų97124.1 Ų124.168%0.67876%0.762SS**  168.7145.197.2-126.40000117.4
577L31.6Very low31.2Very low143 Ų143124 Ų12475%0.74977%0.766SS**  trans66.1121140.3-74.4163000125.2
578K29.4Very low31.2Very low182 Ų182125.3 Ų125.379%0.79177%0.774SS**  trans84.2142.4132.2-128.780176.7-1740122.4
579D30.8Very low31.1Very low137 Ų137122.8 Ų122.873%0.73377%0.769SS**  trans-91.4-173.3174.5-20.2-112.8000112.5
580P55Low30.8Very low108 Ų108120.7 Ų120.770%0.70176%0.764SS**  cis-137-168.5-22.126-0.8000114.3
581L27.1Very low31.8Very low148 Ų148122.9 Ų122.978%0.77577%0.767SS**  trans101131.7148-60.8177.7000123.6
582T27.9Very low31.5Very low113 Ų113123.6 Ų123.669%0.69376%0.76SS**  trans80.3127.213645.20000126
583L30.9Very low31.9Very low169 Ų169124.9 Ų124.989%0.88576%0.758SS**  trans82.8131.7132-76.9165.7000123.1
584G28.4Very low32.1Very low82 Ų82125 Ų12585%0.84576%0.759SS**  trans92.9139.2159.600000115.9
585G28.1Very low32.6Very low82 Ų82120.6 Ų120.685%0.84576%0.759SS**  cis153.8131.3-9.800000113.2
586G27.8Very low32.6Very low68 Ų68120.6 Ų120.670%0.70177%0.772SS**  trans94121.6179.600000113.3
587V30.6Very low32.7Very low144 Ų144119.1 Ų119.187%0.87377%0.772SS**  89.4145.352.2-58.10000115.3
588C27Very low33Very low113 Ų113119.5 Ų119.576%0.76478%0.779SS**  trans81.1100166-59.40000120.5
589S27.9Very low32.9Very low105 Ų105115.9 Ų115.973%0.73478%0.776SS**  54.5112.4118.3-50.40000122.9
590T28.8Very low33Very low126 Ų126114.4 Ų114.477%0.77378%0.777SS**  21.4157.1114.358.80000121.4
591P52.5Low31.7Very low105 Ų105116 Ų11668%0.68278%0.784SS**  cis-146.9-161.7-23.638.3-15.7000114.8
592L27.8Very low31.8Very low149 Ų149113.7 Ų113.778%0.7878%0.781SS**  trans74.1112.5153.6-68.1169.3000122.4
593S37.9Very low31.7Very low98 Ų98116.2 Ų116.269%0.68579%0.789SS**  45.9161.4110.2-50.30000124.5
594L37.4Very low31.8Very low168 Ų168113.2 Ų113.288%0.8878%0.782SS**  trans84.8150.3175.3-83.970.4000116.2
595S37.3Very low31.9Very low115 Ų115117.5 Ų117.580%0.80479%0.785SS**  cis-166.1170.1-6.346.90000113.6
596G29.7Very low31.8Very low81 Ų81117.5 Ų117.584%0.83579%0.785SS**  trans118141.8156.600000116.7
597G32.3Very low31.9Very low66 Ų66117.9 Ų117.968%0.6879%0.789SS**  cis164.9151.4-12.400000115
598V38.6Very low32Very low150 Ų150115.3 Ų115.391%0.90978%0.783SS**  trans57.6165.7163.8-54.70000118.4
599C27.6Very low32.5Very low106 Ų106117.6 Ų117.672%0.71678%0.784SS**  cis-155.6138.9-4.633.60000107.8
600S32.6Very low32.7Very low107 Ų107118 Ų11875%0.74879%0.786SS**  91.1138.573.1-52.50000117
601T28.7Very low32.8Very low140 Ų140116.7 Ų116.786%0.85978%0.782SS**  trans80.1162.8171.173.20000119.8
602S27.2Very low32.1Very low101 Ų101117.6 Ų117.671%0.70679%0.785SS**  -178.9127.5-62.1-92.30000113.6
603L27Very low33.3Very low166 Ų166115.4 Ų115.487%0.86978%0.78SS**  trans60.6156.6151.8-56.3174.1000118
604S32.9Very low32.9Very low105 Ų105118.2 Ų118.273%0.73479%0.787SS**  cis-162.4169.99.1-128.20000112.1
605L29.9Very low32.5Very low172 Ų172115.6 Ų115.690%0.90178%0.782SS**  trans119.9111.6141.8-155.177.3000119.6
606G27.2Very low32.2Very low83 Ų83115.7 Ų115.786%0.85678%0.783SS**  trans77152.7162.700000117
607G28.7Very low32.1Very low75 Ų75115.3 Ų115.377%0.77378%0.779SS**  cis165.4132.4-10.200000112.7
608A32.4Very low31.9Very low90 Ų90120 Ų12074%0.74479%0.788SS**  trans73.3139.8179.300000118.4
609M38.3Very low31.3Very low162 Ų162121 Ų12180%0.79879%0.787SS**  cis-161.6145.7-20-99.4-53.2111.100109.3
610C31.7Very low31.2Very low113 Ų113121 Ų12176%0.76479%0.788SS**  trans41151.5157.166.80000122.6
611S31.7Very low31.1Very low99 Ų99120.4 Ų120.469%0.69278%0.784SS**  cis-173.9114.2-16-95.50000108.2
612T36.7Very low31.3Very low124 Ų124122.9 Ų122.976%0.76179%0.785SS**  64.7151.293.861.90000117.7
613P53.7Low31.4Very low103 Ų103121.7 Ų121.767%0.66979%0.789SS**  cis-150.2174.4-40.143.6-25.9000117
614L30.2Very low31.8Very low157 Ų157119.8 Ų119.882%0.82279%0.79SS**  trans66.6141.1135.1-82166.1000126
615S28.8Very low31.6Very low112 Ų112120 Ų12078%0.78379%0.791SS**  105.1148.5128.6-83.40000122.5
616S30.6Very low31.7Very low118 Ų118119.3 Ų119.383%0.82579%0.788SS**  trans-108.2135.6-172.6-47.30000113.2
617G28Very low31.7Very low73 Ų73121.2 Ų121.275%0.75379%0.788SS**  trans74.4178148.100000119.2
618L27.1Very low31.7Very low164 Ų164125.3 Ų125.386%0.85979%0.791SS**  trans65.5116.9175.5-46.3176.6000116.7
619L26.1Very low32.4Very low171 Ų171126.6 Ų126.690%0.89579%0.792SS**  179.6173.993.8-95.5-179.6000113.2
620S26.3Very low31.9Very low105 Ų105123.7 Ų123.773%0.73479%0.788SS**  trans-103.1145-169.9-49.40000114.2
621S29.8Very low31.7Very low95 Ų95125.3 Ų125.366%0.66479%0.793SS**  trans56.6129.6131.9-54.50000123.8
622H33Very low31.7Very low192 Ų192126 Ų12689%0.88980%0.798SS**  trans76.6136.8149.2-54.7-48.1000121
623G29.5Very low31.6Very low77 Ų77124.4 Ų124.479%0.79480%0.798SS**  trans159.2108.1168.800000112
624S34.9Very low30.3Very low126 Ų126125.7 Ų125.788%0.88180%0.804SS**  trans-123.3145-169.2-50.80000113.5
625S29.7Very low30.4Very low109 Ų109123.3 Ų123.376%0.76280%0.8SS**  trans-165121.3156.2-177.60000115.1
626L31.3Very low30.6Very low158 Ų158124.4 Ų124.483%0.82780%0.797SS**  trans7.9149.2137.8-41.3174.8000119.2
627S27.1Very low30.6Very low122 Ų122124.1 Ų124.185%0.85379%0.79SS**  cis-163.8174.141.4-52.20000115.6
628L27.9Very low30.8Very low162 Ų162127.8 Ų127.885%0.84879%0.788SS**  trans-87.7169171.7-94165.3000112.6
629P47.5Very low30.8Very low116 Ų116126 Ų12675%0.75378%0.783SS**  -160.9168.958.144.2-21.3000122.6
630S29Very low30.9Very low102 Ų102125.4 Ų125.471%0.71378%0.776SS**  trans37.8136140-1590000125.3
631V27Very low30.9Very low146 Ų146124.7 Ų124.789%0.88577%0.771SS**  178.7-170.2112.7-80.10000112.6
632S31.7Very low30.7Very low114 Ų114124.3 Ų124.380%0.79777%0.768SS**  trans-152.6166.6-155.256.80000119
633A34.2Very low30.5Very low90 Ų90120.6 Ų120.674%0.74476%0.764SS**  trans73.1166.5162.500000118.6
634V27.6Very low30.5Very low131 Ų131122.4 Ų122.479%0.79476%0.764SS**  cis-154.2163.211.3-137.40000113.9
635S31.8Very low30.3Very low106 Ų106120.6 Ų120.674%0.74176%0.757SS**  trans76108.4139.6-69.10000126.8
636N33Very low30.2Very low135 Ų135119.9 Ų119.972%0.72275%0.752SS**  77.3113.3107.9-165.645.1000124.2
637T31.1Very low30Very low112 Ų112121.9 Ų121.969%0.68775%0.75SS**  -172.3116.7113.134.70000108.2
638Q30.7Very low30Very low151 Ų151121 Ų12171%0.70674%0.744SS**  78.9153.299.7-140.5150.15.700111.7
639V27Very low30Very low125 Ų125121.1 Ų121.176%0.75874%0.744SS**  cis-131.9-107.429.3-162.10000113.8
640H29.5Very low29Very low159 Ų159122.5 Ų122.574%0.73675%0.745SS**  trans-151.7157.7-160.9-84.8-102.5000110.1
641S25.5Very low28.9Very low90 Ų90122.3 Ų122.363%0.62974%0.744SS**  cis-164.3168.12.6-118.90000109.5
642S24.9Very low28.9Very low87 Ų87121.2 Ų121.261%0.60874%0.743SS**  cis176.7149.5-34.553.30000110.1
643S29.9Very low28.9Very low114 Ų114124.2 Ų124.280%0.79774%0.744SS**  trans74.8145.6150.4-56.30000119.3
644S28.1Very low29.7Very low115 Ų115124.3 Ų124.380%0.80474%0.737SS**  cis-162.3159-12.642.10000111.5
645A30.8Very low29.7Very low89 Ų89127.7 Ų127.774%0.73674%0.742SS**  trans-67.2164.3178.900000114.3
646S28.7Very low29.4Very low93 Ų93126.4 Ų126.465%0.6574%0.737SS**  175.4163.4125.9-79.50000115.6
647Y27.8Very low29.3Very low200 Ų200125.5 Ų125.578%0.78474%0.742SS**  trans-71.9159.3-167.819.3-100.2000118.9
648S26.9Very low29.1Very low103 Ų103125.9 Ų125.972%0.7275%0.748SS**  trans98.3125.6144.8-66.60000123.7
649L28Very low29Very low165 Ų165126.1 Ų126.186%0.86475%0.753SS**  trans66.1117.9136.7-65.5171.4000123.9
650N25.5Very low29Very low145 Ų145124.9 Ų124.978%0.77575%0.75SS**  70.7105.1127-165.462.6000122.9
651S26.7Very low28.9Very low99 Ų99124.2 Ų124.269%0.69276%0.757SS**  trans46.3116.8134.9-164.70000121.8
652S28.2Very low29.1Very low122 Ų122124.3 Ų124.385%0.85376%0.764SS**  trans-161.2150142.7-69.80000113.1
653Q30.1Very low29.4Very low178 Ų178125.4 Ų125.483%0.83277%0.771SS**  trans-97.3-171.1166-77.2-93.52.200109.3
654P51.9Low29.2Very low91 Ų91126.4 Ų126.459%0.59177%0.773SS**  cis-126.4-169.2-36.833.5-15.1000111.4
655F27.2Very low29.5Very low202 Ų202128.6 Ų128.689%0.88677%0.774SS**  179173.4116.3-110.9-82.2000112.6
656A26.7Very low30.4Very low79 Ų79129.8 Ų129.865%0.65378%0.775SS**  trans-146.7159.6-171.700000114.4
657S30.3Very low31.6Very low116 Ų116130.2 Ų130.281%0.81178%0.775SS**  trans68.5131.9157-570000120.6
658C27.6Very low31.6Very low121 Ų121127.7 Ų127.782%0.81877%0.774SS**  trans-179.4115.3130.8-101.10000115.8
659L27.9Very low31.6Very low155 Ų155129.8 Ų129.881%0.81278%0.777SS**  trans45.7116.4134-57.6171.6000124.3
660S27.8Very low31.6Very low100 Ų100125.7 Ų125.770%0.69976%0.762SS**  58.9126.7123.1-51.80000124.5
661T26.3Very low31.7Very low145 Ų145128.1 Ų128.189%0.8977%0.769SS**  176158113.829.10000115.8
662A29.2Very low31.8Very low92 Ų92126.7 Ų126.776%0.7677%0.77SS**  trans1.9158.7155.200000122.4
663S31.3Very low31.7Very low109 Ų109129.6 Ų129.676%0.76277%0.77SS**  cis-166169.3-3-100.40000109
664T27.1Very low31.5Very low136 Ų136127.2 Ų127.283%0.83477%0.767SS**  175.6157.688.5-54.60000111.2
665L33.3Very low30.3Very low160 Ų160128.7 Ų128.784%0.83878%0.78SS**  trans-92.4-164.5177.5-70.5173000111.1
666P49.1Very low30.2Very low115 Ų115127 Ų12775%0.74778%0.779SS**  cis-148.6-154.115.243.9-18.2000115.5
667P55.2Low31.3Very low101 Ų101128.5 Ų128.566%0.65678%0.782SS**  -138.9-177.9-54.133.5-12.7000117.5
668L26.4Very low30.9Very low147 Ų147130.5 Ų130.577%0.7778%0.779SS**  trans79.7147.6157.1-50.7-169.6000119.1
669L27.8Very low31.1Very low148 Ų148129 Ų12978%0.77577%0.77SS**  cis-171.4172.9-16.9-92.8177.5000106.5
670S29.1Very low31Very low78 Ų78128.2 Ų128.255%0.54577%0.767SS.*  cis-177.5164.3-39.461.80000111.6
671Q26.7Very low31.3Very low197 Ų197130.2 Ų130.292%0.92177%0.768SS**  trans69.9151.5168.1-60.4177.5-23.900117.5
672G28.5Very low31.4Very low69 Ų69130.8 Ų130.871%0.71177%0.765SS**  cis168.9159.2-11.500000115.4
673Q27.2Very low31.4Very low182 Ų182131.8 Ų131.885%0.8576%0.758SS**  trans60111.7153-69.6-173.8-1700121.2
674T25.5Very low31.4Very low128 Ų128131.6 Ų131.679%0.78576%0.755SS**  80.4123.6100.162.20000119
675S25.6Very low31.5Very low123 Ų123133.9 Ų133.986%0.8675%0.749SS**  177.7134.312957.20000115
676L24.7Very low31.2Very low165 Ų165133.7 Ų133.786%0.86474%0.742SS**  trans-109.2-173.1155.6-80.1161.2000107.4
677P50.6Low30.3Very low111 Ų111135.3 Ų135.372%0.72174%0.739SS**  cis-114.2-149.6-2518.47.9000109.9
678E23Very low29Very low158 Ų158135 Ų13574%0.73874%0.738SS**  cis-166139.439.6-93.2-151.466.400110.8
679S30.6Very low29Very low90 Ų90136.9 Ų136.963%0.62974%0.743SS**  85.5147.5100.2-48.20000114.2
680D27.1Very low28.9Very low139 Ų139133 Ų13374%0.74374%0.739SS**  cis-160.5172.414.8-151.1-7.2000114.9
681I32.5Very low28.7Very low142 Ų142137.3 Ų137.373%0.72876%0.756SS**  trans71.2125.7158.8-67.4153.6000117.5
682D28.3Very low28.8Very low156 Ų156133.1 Ų133.183%0.83475%0.748SS**  cis-151.7-178.814.5-151.9165.6000113.5
683D30.9Very low29.3Very low113 Ų113135.7 Ų135.760%0.60475%0.752SS**  trans-109.6148.4172.8171.659.1000114.8
684C31.3Very low29.4Very low105 Ų105137.5 Ų137.571%0.70975%0.751SS**  trans179.1138.4136.8-91.10000110.4
685R28.6Very low29.5Very low185 Ų185139.5 Ų139.570%0.69875%0.752SS**  cis-165.7140.5-14.9-102.3-166.6-158.2-161.66.4111.1
686F27.7Very low29.7Very low156 Ų156138.2 Ų138.268%0.68474%0.743SS**  trans66.1153143.2-75.8-127.5000120.9
687Q29.1Very low29.8Very low148 Ų148138.2 Ų138.269%0.69274%0.743SS**  cis-171.9147.3-21.5173161.670.200113.3
688C27.1Very low28.5Very low94 Ų94137.3 Ų137.364%0.63574%0.739SS**  trans82.6127.7152.6-88.80000125.7
689Q27.5Very low28.7Very low188 Ų188134.2 Ų134.288%0.87974%0.735SS**  trans66.8128.3135.1-66.5-178.717.800123.6
690G24.7Very low28.5Very low66 Ų66138.8 Ų138.868%0.6875%0.746SS**  129.3102103.700000120.2
691N25Very low29.1Very low169 Ų169137.6 Ų137.690%0.90475%0.749SS**  trans64.8146.6148.8-61.3-9.6000121.9
692S28.9Very low29.2Very low108 Ų108135.8 Ų135.876%0.75575%0.746SS**  trans-90.5160.5159.6-179.50000109.6
693P39.3Very low29Very low124 Ų124136.1 Ų136.181%0.80575%0.745SS**  -142.7-159.5104.441.6-27.8000114.1
694R30.4Very low28.7Very low220 Ų220135.5 Ų135.583%0.8375%0.749SS**  trans-107.5-164.1-167.3-163.1-175.1175.5-153.71.6110.2
695E26.3Very low28.6Very low170 Ų170136.2 Ų136.279%0.79475%0.754SS**  trans90.7127.5170.1-54.3-176.491.300114
696S29.3Very low28.6Very low95 Ų95135.7 Ų135.766%0.66476%0.764SS**  cis101.5150.425.6-68.90000113.3
697L26.8Very low28.9Very low166 Ų166133.8 Ų133.887%0.86977%0.767SS**  trans74.7156.4-179.6-47.5177.8000115.7
698S23.9Very low29.5Very low92 Ų92134.7 Ų134.764%0.64378%0.776SS**  cis172.2145.7-41.6174.50000107.5
699S27Very low29.6Very low93 Ų93138.6 Ų138.665%0.6579%0.79SS**  trans44.2108.9149.861.50000119.6
700Q26.6Very low29.7Very low185 Ų185138.8 Ų138.886%0.86479%0.788SS**  -162140.9113.8-113.4169.273.200113.3
701S39.7Very low29.8Very low115 Ų115140.9 Ų140.980%0.80478%0.784SS**  trans-118.2137.4153-55.60000107.6
702P34.9Very low30Very low103 Ų103140.4 Ų140.467%0.66978%0.776SS**  -123.1135125.935.2-30.2000109.5
703M24.1Very low29.9Very low164 Ų164144.9 Ų144.981%0.80878%0.776SS**  50.392.170.5-79.8-66.3-65.200113.3
704S25.7Very low29.3Very low100 Ų100144.7 Ų144.770%0.69977%0.769SS**  164.4144.4106.252.10000114.3
705C29.1Very low29.3Very low120 Ų120136.6 Ų136.681%0.81175%0.754SS**  trans16.6122.1142.8-48.30000119.9
706L28Very low29.5Very low173 Ų173137.4 Ų137.491%0.90676%0.762SS**  trans-122.6141.9150.1-74.7177.7000110.7
707P33.2Very low29.3Very low116 Ų116136.5 Ų136.575%0.75377%0.768SS**  trans-91.4173.7-172.437.4-37.4000114
708L43Very low29.5Very low167 Ų167134.9 Ų134.987%0.87477%0.771SS**  trans-66.7135.1171.7-64.6167.7000112.1
709L29.4Very low29.7Very low177 Ų177133.6 Ų133.693%0.92777%0.772SS**  trans-136.9174.6153.2-85.2-175.7000110.8
710F28Very low29.8Very low191 Ų191135.4 Ų135.484%0.83878%0.779SS**  trans-121.2167.8-150.2-139.9-103000112.7
711D27.4Very low29.9Very low111 Ų111137.8 Ų137.859%0.59478%0.78SS**  trans71.6105.1153.2-117.3-133000122.5
712Q29.3Very low29.6Very low158 Ų158136.6 Ų136.674%0.73878%0.777SS**  72.2153.7102.6-150.7174.814700121.8
713R27.2Very low29.9Very low202 Ų202141 Ų14176%0.76278%0.781SS**  trans78.4147.7-175.7-56.7-163.867.6-166-5.9114.1
714D25.6Very low30.6Very low120 Ų120138.9 Ų138.964%0.64278%0.779SS**  cis-146.9-176.8-6.8-123.933.6000108.4
715G31.1Very low31Very low50 Ų50140 Ų14052%0.51577%0.773SS.*  cis128.8111.14.800000110.7
716L29.8Very low31.1Very low187 Ų187141.2 Ų141.298%0.97977%0.771SS**  trans69.9150.3-172.3-50.7162.4000113.8
717G26.1Very low31.2Very low76 Ų76138.9 Ų138.978%0.78476%0.764SS**  cis-158.5-166.61.800000113.5
718S29.7Very low31.7Very low133 Ų133139 Ų13993%0.9377%0.765SS**  trans-99.4156.8-175.4-174.30000112.6
719G28.2Very low32.3Very low65 Ų65137.1 Ų137.167%0.6776%0.763SS**  trans143.696.3157.200000120
720V30.3Very low32.5Very low130 Ų130133.6 Ų133.679%0.78876%0.759SS**  32.6112.8120.2-177.10000121.1
721R28.9Very low33Very low235 Ų235129.5 Ų129.589%0.88775%0.754SS**  trans68129.6142-69.7176.5-176.6-105.36.5124.5
722A33.8Very low33.8Very low90 Ų90129.4 Ų129.474%0.74476%0.762SS**  trans70.3118.5130.800000121.1
723R39.2Very low34.5Very low197 Ų197127.9 Ų127.974%0.74376%0.755SS**  84.7135.492.9-169.8177.7-178.1160.60.4111.6E725R723-E725 IonicContact CZ-OE1 2.77Å; R723-E725 IonicContact CZ-OE2 2.75Å; R723-E725 IonicContact NE-OE2 3.79Å; R723-E725 PolarHBondContact NE-OE2 3.3Å; R723-E725 IonicContact NH2-OE1 2.72Å; R723-E725 PolarHBondContact NH2-OE1 2.86Å; R723-E725 IonicContact NH2-OE2 2.76Å; R723-E725 PolarHBondContact NH2-OE2 3.49Å
724P40Very low35.7Very low119 Ų119124.5 Ų124.577%0.77375%0.75SS**  cis-129.8-164.436.617.210.6000115.1
725E34.5Very low36.8Very low122 Ų122126.4 Ų126.457%0.5776%0.756SS**  cis169.5108.8-42.3179.4167.8-17100110.9R723R723-E725 IonicContact CZ-OE1 2.77Å; R723-E725 IonicContact CZ-OE2 2.75Å; R723-E725 IonicContact NE-OE2 3.79Å; R723-E725 PolarHBondContact NE-OE2 3.3Å; R723-E725 IonicContact NH2-OE1 2.72Å; R723-E725 PolarHBondContact NH2-OE1 2.86Å; R723-E725 IonicContact NH2-OE2 2.76Å; R723-E725 PolarHBondContact NH2-OE2 3.49Å
726N29.9Very low37.5Very low146 Ų146130.2 Ų130.278%0.78176%0.763SS**  trans-176.9118.2157.1-108.1-92.1000106.4
727V31.4Very low38.3Very low124 Ų124126.3 Ų126.375%0.75274%0.743SS**  71.1136.583.5173.20000112.5
728P42.5Very low39.6Very low118 Ų118128.6 Ų128.677%0.76674%0.736SS**  cis-121.3-178.68.329.3-7.3000115.7
729P55.3Low40.7Very low129 Ų129129.4 Ų129.484%0.83873%0.725SS**  trans-115148.4-171.639.5-29.9000117.1
730A33.5Very low41.7Very low102 Ų102132 Ų13284%0.84372%0.718SS**  trans-163.1150.6163.300000109.6
731S38.5Very low42.6Very low105 Ų105133.2 Ų133.273%0.73472%0.715SS**  cis-146.4151.6-959.90000110.4H733S731-H733 PolarHBondContact O-N 3.03Å
732S45.3Very low43.7Very low109 Ų109125.2 Ų125.276%0.76271%0.705SS**  trans-91.522.7-165.546.40000115.8
733H43.5Very low44.4Very low127 Ų127128.1 Ų128.159%0.58871%0.708SS**Hα-helixtrans-82.7-27.2-165.4-163.8-113.4000115.5S731S731-H733 PolarHBondContact O-N 3.03Å
734I51.5Low44.6Very low131 Ų131121.4 Ų121.467%0.67270%0.701SS**Hα-helixtrans-78.5-43-170.2-60.6176.5000112.2L736 L737 L738I734-L736 VanDerWaalsContact C-N 3.34Å; I734-L736 PolarHBondContact O-N 2.98Å; I734-L737 PolarHBondContact O-N 2.92Å; I734-L738 HydrophobicContact CG2-CD1 4.48Å; I734-L738 PolarHBondContact O-N 3.49Å
735E49.6Very low45.1Very low160 Ų160125.4 Ų125.475%0.74871%0.709SS**Hα-helixtrans-67.2-35.8-179.3-62.4-171.5132.600112L737 L738 E739E735-L737 VanDerWaalsContact C-N 3.26Å; E735-L737 PolarHBondContact O-N 3.21Å; E735-L738 PolarHBondContact O-N 3.18Å; E735-E739 PolarHBondContact O-N 3.48Å; E735-E739 VanDerWaalsContact O-N 3.12Å
736L46.5Very low45.9Very low130 Ų130128.3 Ų128.368%0.68173%0.725SS**Hα-helixtrans-66.1-25.6-178.8-151.576.9000113.5I734I734-L736 VanDerWaalsContact C-N 3.34Å; I734-L736 PolarHBondContact O-N 2.98Å
737L46.6Very low46.7Very low105 Ų105124.7 Ų124.755%0.5572%0.722SS.*Hα-helixtrans-79.5-36.7174.5-76.2168.4000112.4I734 E735I734-L737 PolarHBondContact O-N 2.92Å; E735-L737 VanDerWaalsContact C-N 3.26Å; E735-L737 PolarHBondContact O-N 3.21Å
738L52.2Low47.9Very low123 Ų123123.7 Ų123.764%0.64472%0.716SS**Hα-helixtrans-69.5-33.3178.1-68.1171.3000112.3I734 E735I734-L738 HydrophobicContact CG2-CD1 4.48Å; I734-L738 PolarHBondContact O-N 3.49Å; E735-L738 PolarHBondContact O-N 3.18Å
739E53Low49.1Very low150 Ų150121.9 Ų121.970%0.70170%0.7SS**SBendtrans-82.4-14.1-175.5-165.9160.2-142.900114.5E735E735-E739 PolarHBondContact O-N 3.48Å; E735-E739 VanDerWaalsContact O-N 3.12Å
740K49.5Very low50Low119 Ų119120.6 Ų120.652%0.51769%0.685SS.*SBendtrans-87.9-18.8-173.9-156.7-177.9174.5-166.40115.6
741H49.2Very low52Low157 Ų157119.5 Ų119.573%0.72767%0.668SS**SBendtrans-109.17.1-174.2-71.6104.9000115.5N743H741-N743 PolarHBondContact O-N 3.18Å
742G51.7Low53.6Low66 Ų66120 Ų12068%0.6866%0.658SS**  trans-77.532.9-176.200000116.4
743N48.9Very low55.1Low151 Ų151120.1 Ų120.181%0.80765%0.648SS**SBendtrans-145.348.5-173.8-126.3107.9000113.9H741H741-N743 PolarHBondContact O-N 3.18Å
744G43.3Very low57Low57 Ų57119 Ų11959%0.58865%0.646SS**SBendtrans-150.9149.5168.400000109.4
745E51.2Low58.5Low202 Ų202119.4 Ų119.494%0.94464%0.643SS**THydrogen-bonded Turntrans-68.1156.4179.3-60.9-178.5143.900110.6
746M51.4Low60.3Low184 Ų184115.4 Ų115.491%0.90663%0.633SS**THydrogen-bonded Turntrans74.515.4-175.3-147.162.5165.400117.4V748M746-V748 PolarHBondContact O-N 3.27Å
747G46.6Very low62.4Low70 Ų70113.7 Ų113.772%0.72262%0.624SS**  trans-72.3101.1168.300000113.4N749G747-N749 PolarHBondContact O-N 3.12Å
748V55.8Low64.4Low102 Ų102114.4 Ų114.462%0.61862%0.624SS**  trans-62.4130.4176.7-1790000110.8M746 I750 M753M746-V748 PolarHBondContact O-N 3.27Å; V748-I750 PolarHBondContact O-N 3.42Å; V748-M753 HydrophobicContact CG1-CE 3.66Å
749N68.7Low66.1Low81 Ų81111.7 Ų111.743%0.43362%0.616SS.*  trans-76.184.2-175.1-166.4-10.8000112.5G747 V751 E752 M753G747-N749 PolarHBondContact O-N 3.12Å; N749-V751 PolarHBondContact O-N 3.28Å; N749-V751 VanDerWaalsContact O-N 3.11Å; N749-V751 PolarHBondContact OD1-N 3.38Å; N749-E752 HydrophobicContact CB-CB 4.23Å; N749-E752 HydrophobicContact CB-CG 4.47Å; N749-E752 WeakPolarHBondContact ND2-CG 3.35Å; N749-E752 PolarHBondContact ND2-OE2 3.32Å; N749-E752 PolarHBondContact O-N 3.46Å; N749-M753 PolarHBondContact O-N 3.43Å
750I74.4Confident68Low101 Ų101109.5 Ų109.552%0.51861%0.608SS.*Hα-helixtrans-52.4-34.9-179.2-62.3169.4000112V748 E752 M753 L754V748-I750 PolarHBondContact O-N 3.42Å; I750-E752 PolarHBondContact O-N 3.12Å; I750-M753 PolarHBondContact O-N 2.86Å; I750-L754 HydrophobicContact CG2-CD1 3.91Å; I750-L754 HydrophobicContact CG2-CG 4.26Å; I750-L754 WeakPolarHBondContact O-CB 3.32Å; I750-L754 VanDerWaalsContact O-CG 3.32Å; I750-L754 WeakPolarHBondContact O-CG 3.46Å; I750-L754 PolarHBondContact O-N 3.19Å
751V75Confident69.9Low79 Ų79109.6 Ų109.648%0.47961%0.61SS.*Hα-helixtrans-70-32.8-179.9-1800000112N749 K755N749-V751 PolarHBondContact O-N 3.28Å; N749-V751 VanDerWaalsContact O-N 3.11Å; N749-V751 PolarHBondContact OD1-N 3.38Å; V751-K755 HydrophobicContact CG1-CD 4.4Å; V751-K755 WeakPolarHBondContact O-CD 3.24Å; V751-K755 VanDerWaalsContact O-CG 3.24Å; V751-K755 WeakPolarHBondContact O-CG 3.38Å; V751-K755 PolarHBondContact O-N 3.41Å
752E71.2Confident72Confident116 Ų116108.5 Ų108.554%0.54261%0.605SS.*Hα-helixtrans-77.6-33.4172.8-72.4179.5150.200111.8N749 I750 K755 S756N749-E752 HydrophobicContact CB-CB 4.23Å; N749-E752 HydrophobicContact CB-CG 4.47Å; N749-E752 WeakPolarHBondContact ND2-CG 3.35Å; N749-E752 PolarHBondContact ND2-OE2 3.32Å; N749-E752 PolarHBondContact O-N 3.46Å; I750-E752 PolarHBondContact O-N 3.12Å; E752-K755 PolarHBondContact O-N 2.82Å; E752-S756 WeakPolarHBondContact O-CB 3.39Å; E752-S756 PolarHBondContact O-N 2.96Å; E752-S756 PolarHBondContact O-OG 3.35Å
753M78.3Confident73.8Confident112 Ų112110.2 Ų110.255%0.55260%0.596SS**Hα-helixtrans-62.5-46.7171.1-167-170.6-61.500111.6V748 N749 I750 S756 L757V748-M753 HydrophobicContact CG1-CE 3.66Å; N749-M753 PolarHBondContact O-N 3.43Å; I750-M753 PolarHBondContact O-N 2.86Å; M753-S756 WeakPolarHBondContact O-CB 3.5Å; M753-S756 PolarHBondContact O-N 3.47Å; M753-L757 WeakPolarHBondContact O-CB 3.49Å; M753-L757 PolarHBondContact O-N 3.35Å
754L83.6Confident75.8Confident104 Ų104106.9 Ų106.955%0.54558%0.578SS.*Hα-helixtrans-65.4-38177.9-72.3170.7000112.8I750 L757 H758I750-L754 HydrophobicContact CG2-CD1 3.91Å; I750-L754 HydrophobicContact CG2-CG 4.26Å; I750-L754 WeakPolarHBondContact O-CB 3.32Å; I750-L754 VanDerWaalsContact O-CG 3.32Å; I750-L754 WeakPolarHBondContact O-CG 3.46Å; I750-L754 PolarHBondContact O-N 3.19Å; L754-L757 PolarHBondContact O-N 2.73Å; L754-H758 WeakPolarHBondContact O-CB 3.42Å; L754-H758 PolarHBondContact O-N 2.98Å
755K82.9Confident78.2Confident138 Ų138108.9 Ų108.960%0.657%0.572SS**Hα-helixtrans-64.5-40.5171.8-74.5166.9-174.61690111.9V751 E752 H758 S759V751-K755 HydrophobicContact CG1-CD 4.4Å; V751-K755 WeakPolarHBondContact O-CD 3.24Å; V751-K755 VanDerWaalsContact O-CG 3.24Å; V751-K755 WeakPolarHBondContact O-CG 3.38Å; V751-K755 PolarHBondContact O-N 3.41Å; E752-K755 PolarHBondContact O-N 2.82Å; K755-H758 PolarHBondContact O-N 3.31Å; K755-S759 WeakPolarHBondContact O-CB 3.5Å; K755-S759 PolarHBondContact O-N 3.43Å
756S85.6Confident80.3Confident76 Ų76106.9 Ų106.953%0.53156%0.556SS.*Hα-helixtrans-64.5-43.3175.1-56.60000111.4E752 M753 S759 L760E752-S756 WeakPolarHBondContact O-CB 3.39Å; E752-S756 PolarHBondContact O-N 2.96Å; E752-S756 PolarHBondContact O-OG 3.35Å; M753-S756 WeakPolarHBondContact O-CB 3.5Å; M753-S756 PolarHBondContact O-N 3.47Å; S756-S759 WeakPolarHBondContact O-CB 3.46Å; S756-S759 PolarHBondContact O-N 3.5Å; S756-L760 WeakPolarHBondContact O-CB 3.33Å; S756-L760 PolarHBondContact O-N 2.9Å
757L90.5Very high82.2Confident95 Ų95102 Ų10250%0.49753%0.533SS..Hα-helixtrans-59.3-48.3175.6-168.378.8000111.6M753 L754 S759 L760 Q761M753-L757 WeakPolarHBondContact O-CB 3.49Å; M753-L757 PolarHBondContact O-N 3.35Å; L754-L757 PolarHBondContact O-N 2.73Å; L757-S759 PolarHBondContact O-N 2.87Å; L757-L760 PolarHBondContact O-N 3.28Å; L757-Q761 WeakPolarHBondContact O-CG 3.39Å; L757-Q761 PolarHBondContact O-N 3.5Å
758H90.2Very high84.5Confident119 Ų119103.9 Ų103.955%0.55152%0.523SS*.Hα-helixtrans-63.5-39.6177.1-176.3-79.4000111.9L754 K755 L760 Q761 Q762L754-H758 WeakPolarHBondContact O-CB 3.42Å; L754-H758 PolarHBondContact O-N 2.98Å; K755-H758 PolarHBondContact O-N 3.31Å; H758-L760 VanDerWaalsContact C-N 3.34Å; H758-Q761 PolarHBondContact O-N 3.46Å; H758-Q762 WeakPolarHBondContact O-CB 3.43Å; H758-Q762 PolarHBondContact O-N 2.73Å
759S87.9Confident86.2Confident67 Ų67103.1 Ų103.147%0.46952%0.515SS..Hα-helixtrans-62.7-41.3173.4-167.50000111.7K755 S756 L757 Q762 E763K755-S759 WeakPolarHBondContact O-CB 3.5Å; K755-S759 PolarHBondContact O-N 3.43Å; S756-S759 WeakPolarHBondContact O-CB 3.46Å; S756-S759 PolarHBondContact O-N 3.5Å; L757-S759 PolarHBondContact O-N 2.87Å; S759-Q762 PolarHBondContact O-N 2.82Å; S759-E763 PolarHBondContact O-N 2.93Å
760L91.4Very high87.3Confident103 Ų103104 Ų10454%0.53952%0.517SS..Hα-helixtrans-68.6-36.8178.9-15579.1000111.8S756 L757 H758 E763 N764S756-L760 WeakPolarHBondContact O-CB 3.33Å; S756-L760 PolarHBondContact O-N 2.9Å; L757-L760 PolarHBondContact O-N 3.28Å; H758-L760 VanDerWaalsContact C-N 3.34Å; L760-E763 PolarHBondContact O-N 2.88Å; L760-N764 WeakPolarHBondContact O-CB 3.41Å; L760-N764 PolarHBondContact O-N 3.14Å; L760-N764 PolarHBondContact O-ND2 3.2Å
761Q91Very high88.3Confident122 Ų122104.3 Ų104.357%0.5752%0.519SS*.Hα-helixtrans-64.4-44.4172-74.8175.6-41.400111.4L757 H758 E763 N764 Q765L757-Q761 WeakPolarHBondContact O-CG 3.39Å; L757-Q761 PolarHBondContact O-N 3.5Å; H758-Q761 PolarHBondContact O-N 3.46Å; Q761-E763 VanDerWaalsContact C-N 3.33Å; Q761-E763 PolarHBondContact O-N 3.31Å; Q761-N764 PolarHBondContact O-N 3.23Å; Q761-Q765 PolarHBondContact O-N 3.49Å
762Q92.7Very high89.1Confident133 Ų133106.6 Ų106.662%0.62153%0.527SS*.Hα-helixtrans-65.7-35.1177.7-169.2169.941.700112.5H758 S759 R766H758-Q762 WeakPolarHBondContact O-CB 3.43Å; H758-Q762 PolarHBondContact O-N 2.73Å; S759-Q762 PolarHBondContact O-N 2.82Å; Q762-R766 WeakPolarHBondContact O-CB 3.42Å; Q762-R766 PolarHBondContact O-N 2.98Å
763E89.2Confident90.1Very high103 Ų103103.9 Ų103.948%0.48152%0.521SS..Hα-helixtrans-71.4-39.9172.6-174.6147.2-126.400112.3S759 L760 Q761 Q765 R766 L767S759-E763 PolarHBondContact O-N 2.93Å; L760-E763 PolarHBondContact O-N 2.88Å; Q761-E763 VanDerWaalsContact C-N 3.33Å; Q761-E763 PolarHBondContact O-N 3.31Å; E763-Q765 PolarHBondContact O-N 3.19Å; E763-R766 WeakPolarHBondContact O-CB 3.48Å; E763-R766 PolarHBondContact O-N 2.75Å; E763-L767 HydrophobicContact CG-CD1 4.13Å; E763-L767 HydrophobicContact CG-CG 4.45Å; E763-L767 WeakPolarHBondContact O-CG 3.44Å; E763-L767 PolarHBondContact O-N 3.23Å
764N90.7Very high90.5Very high80 Ų80103.8 Ų103.843%0.42852%0.522SS..Hα-helixtrans-60.3-45.1173.7-89.4-81.9000112.3L760 Q761 R766 L767 Q768L760-N764 WeakPolarHBondContact O-CB 3.41Å; L760-N764 PolarHBondContact O-N 3.14Å; L760-N764 PolarHBondContact O-ND2 3.2Å; Q761-N764 PolarHBondContact O-N 3.23Å; N764-R766 VanDerWaalsContact C-N 3.33Å; N764-R766 PolarHBondContact O-N 2.76Å; N764-L767 PolarHBondContact O-N 2.86Å; N764-Q768 WeakPolarHBondContact O-CG 3.38Å; N764-Q768 PolarHBondContact O-N 3.43Å
765Q94.3Very high90.9Very high99 Ų99101.6 Ų101.646%0.46351%0.513SS..Hα-helixtrans-57.3-47.7174.4-176.361.759.800111Q761 E763 L767 Q768 D769Q761-Q765 PolarHBondContact O-N 3.49Å; E763-Q765 PolarHBondContact O-N 3.19Å; Q765-L767 VanDerWaalsContact C-N 3.28Å; Q765-L767 PolarHBondContact O-N 3.19Å; Q765-Q768 WeakPolarHBondContact O-CB 3.28Å; Q765-Q768 PolarHBondContact O-N 3.14Å; Q765-Q768 VanDerWaalsContact O-N 3.15Å; Q765-D769 PolarHBondContact NE2-OD1 2.91Å; Q765-D769 PolarHBondContact O-N 2.95Å
766R94.3Very high91.2Very high160 Ų16097.7 Ų97.760%0.60451%0.507SS*.Hα-helixtrans-62.2-33.3178.7-172-174.2-173.6-161.34.7113.1Q762 E763 N764 Q770Q762-R766 WeakPolarHBondContact O-CB 3.42Å; Q762-R766 PolarHBondContact O-N 2.98Å; E763-R766 WeakPolarHBondContact O-CB 3.48Å; E763-R766 PolarHBondContact O-N 2.75Å; N764-R766 VanDerWaalsContact C-N 3.33Å; N764-R766 PolarHBondContact O-N 2.76Å; R766-Q770 WeakPolarHBondContact O-CG 3.45Å; R766-Q770 PolarHBondContact O-N 2.77Å; R766-Q770 VanDerWaalsContact O-N 3.14Å
767L93.1Very high91.5Very high82 Ų8299.3 Ų99.343%0.42950%0.504SS..Hα-helixtrans-73.3-39.8174.4-72.2169.9000111.5E763 N764 Q765 Q770 I771E763-L767 HydrophobicContact CG-CD1 4.13Å; E763-L767 HydrophobicContact CG-CG 4.45Å; E763-L767 WeakPolarHBondContact O-CG 3.44Å; E763-L767 PolarHBondContact O-N 3.23Å; N764-L767 PolarHBondContact O-N 2.86Å; Q765-L767 VanDerWaalsContact C-N 3.28Å; Q765-L767 PolarHBondContact O-N 3.19Å; L767-Q770 PolarHBondContact O-N 3.31Å; L767-I771 VanDerWaalsContact O-CG1 3.28Å; L767-I771 WeakPolarHBondContact O-CG1 3.45Å; L767-I771 PolarHBondContact O-N 2.85Å
768Q92.9Very high91.7Very high109 Ų109103.1 Ų103.151%0.50951%0.512SS..Hα-helixtrans-60-45.4172.1-69.8173.814.100111.3N764 Q765 Q770 I771 L772N764-Q768 WeakPolarHBondContact O-CG 3.38Å; N764-Q768 PolarHBondContact O-N 3.43Å; Q765-Q768 WeakPolarHBondContact O-CB 3.28Å; Q765-Q768 PolarHBondContact O-N 3.14Å; Q765-Q768 VanDerWaalsContact O-N 3.15Å; Q768-Q770 VanDerWaalsContact C-N 3.3Å; Q768-Q770 PolarHBondContact O-N 3.38Å; Q768-I771 PolarHBondContact O-N 2.96Å; Q768-L772 WeakPolarHBondContact O-CB 3.26Å; Q768-L772 PolarHBondContact O-N 2.94Å
769D93Very high91.7Very high86 Ų86102.8 Ų102.846%0.4651%0.51SS..Hα-helixtrans-60.4-38.9175.6-59.2-18.1000111.8Q765 S773Q765-D769 PolarHBondContact NE2-OD1 2.91Å; Q765-D769 PolarHBondContact O-N 2.95Å; D769-S773 VanDerWaalsContact O-CB 3.23Å; D769-S773 WeakPolarHBondContact O-CB 3.5Å; D769-S773 PolarHBondContact O-N 2.89Å
770Q91.6Very high91.6Very high101 Ų101108.7 Ų108.747%0.47252%0.523SS..Hα-helixtrans-67.5-43.2174.2-78.6-171.517.800112.5R766 L767 Q768 S773 L774R766-Q770 WeakPolarHBondContact O-CG 3.45Å; R766-Q770 PolarHBondContact O-N 2.77Å; R766-Q770 VanDerWaalsContact O-N 3.14Å; L767-Q770 PolarHBondContact O-N 3.31Å; Q768-Q770 VanDerWaalsContact C-N 3.3Å; Q768-Q770 PolarHBondContact O-N 3.38Å; Q770-S773 PolarHBondContact O-N 3.37Å; Q770-L774 WeakPolarHBondContact O-CB 3.36Å; Q770-L774 VanDerWaalsContact O-CG 3.26Å; Q770-L774 WeakPolarHBondContact O-CG 3.44Å; Q770-L774 PolarHBondContact O-N 3.15Å
771I94.9Very high91.4Very high107 Ų107109.4 Ų109.455%0.54953%0.526SS..Hα-helixtrans-60.7-48176.5-70.5162.8000109.6L767 Q768 S773 L774 T775L767-I771 VanDerWaalsContact O-CG1 3.28Å; L767-I771 WeakPolarHBondContact O-CG1 3.45Å; L767-I771 PolarHBondContact O-N 2.85Å; Q768-I771 PolarHBondContact O-N 2.96Å; I771-S773 VanDerWaalsContact C-N 3.34Å; I771-S773 PolarHBondContact O-N 2.76Å; I771-L774 PolarHBondContact O-N 3Å; I771-L774 VanDerWaalsContact O-N 3.14Å; I771-T775 WeakPolarHBondContact O-CB 3.23Å; I771-T775 PolarHBondContact O-N 2.83Å; I771-T775 PolarHBondContact O-OG1 2.98Å
772L91.8Very high90.9Very high127 Ų127108.6 Ų108.667%0.66552%0.523SS*.Hα-helixtrans-58.9-45.3176.3-16671.7000111.4Q768 L774 T775 A776Q768-L772 WeakPolarHBondContact O-CB 3.26Å; Q768-L772 PolarHBondContact O-N 2.94Å; L772-L774 VanDerWaalsContact C-N 3.3Å; L772-L774 PolarHBondContact O-N 2.86Å; L772-T775 PolarHBondContact O-N 3.41Å; L772-A776 PolarHBondContact O-N 2.85Å
773S92.9Very high90.5Very high58 Ų58107.9 Ų107.941%0.40652%0.522SS..Hα-helixtrans-67.7-25.7177.6-160.40000113.7D769 Q770 I771 K777D769-S773 VanDerWaalsContact O-CB 3.23Å; D769-S773 WeakPolarHBondContact O-CB 3.5Å; D769-S773 PolarHBondContact O-N 2.89Å; Q770-S773 PolarHBondContact O-N 3.37Å; I771-S773 VanDerWaalsContact C-N 3.34Å; I771-S773 PolarHBondContact O-N 2.76Å; S773-K777 WeakPolarHBondContact O-CD 3.47Å; S773-K777 WeakPolarHBondContact O-CG 3.32Å; S773-K777 PolarHBondContact O-NZ 3.32Å; S773-K777 PolarHBondContact OG-NZ 3.04Å
774L85.4Confident89.9Confident110 Ų110106.6 Ų106.658%0.57652%0.518SS*.Hα-helixtrans-82.7-36.7174.1-73.9169.5000111.5Q770 I771 L772 K777 R778Q770-L774 WeakPolarHBondContact O-CB 3.36Å; Q770-L774 VanDerWaalsContact O-CG 3.26Å; Q770-L774 WeakPolarHBondContact O-CG 3.44Å; Q770-L774 PolarHBondContact O-N 3.15Å; I771-L774 PolarHBondContact O-N 3Å; I771-L774 VanDerWaalsContact O-N 3.14Å; L772-L774 VanDerWaalsContact C-N 3.3Å; L772-L774 PolarHBondContact O-N 2.86Å; L774-K777 PolarHBondContact O-N 3.29Å; L774-R778 PolarHBondContact O-N 3.07Å
775T91.8Very high89.1Confident59 Ų59108.2 Ų108.236%0.36253%0.527SS..Hα-helixtrans-62-50.9173.9-61.10000110.9I771 L772 K777 R778 E779I771-T775 WeakPolarHBondContact O-CB 3.23Å; I771-T775 PolarHBondContact O-N 2.83Å; I771-T775 PolarHBondContact O-OG1 2.98Å; L772-T775 PolarHBondContact O-N 3.41Å; T775-K777 PolarHBondContact O-N 2.99Å; T775-R778 CarbonylContact O-C 3.59Å; T775-R778 WeakPolarHBondContact O-CA 3.47Å; T775-R778 WeakPolarHBondContact O-CB 3.45Å; T775-R778 PolarHBondContact O-N 3.37Å; T775-E779 WeakPolarHBondContact O-CG 3.34Å; T775-E779 PolarHBondContact O-N 2.83Å
776A90.1Very high88.2Confident55 Ų55107.8 Ų107.846%0.45553%0.531SS..Hα-helixtrans-60.3-31.9175.900000113.1L772 R780L772-A776 PolarHBondContact O-N 2.85Å; A776-R780 WeakPolarHBondContact O-CB 3.44Å; A776-R780 PolarHBondContact O-N 3.21Å
777K92.1Very high86.9Confident110 Ų110107 Ų10748%0.47853%0.534SS..Hα-helixtrans-72.4-37.5172.6-74.3179.2-16387.70112.4S773 L774 T775 L781S773-K777 WeakPolarHBondContact O-CD 3.47Å; S773-K777 WeakPolarHBondContact O-CG 3.32Å; S773-K777 PolarHBondContact O-NZ 3.32Å; S773-K777 PolarHBondContact OG-NZ 3.04Å; L774-K777 PolarHBondContact O-N 3.29Å; T775-K777 PolarHBondContact O-N 2.99Å; K777-L781 WeakPolarHBondContact O-CB 3.43Å; K777-L781 VanDerWaalsContact O-CG 3.32Å; K777-L781 WeakPolarHBondContact O-CG 3.47Å; K777-L781 PolarHBondContact O-N 2.86Å
778R93.6Very high85.2Confident176 Ų176110 Ų11066%0.66455%0.55SS**Hα-helixtrans-62.2-48.2172.9178.8-172.9172.8-174.5-0110.3L774 T775 R780 L781 Q782L774-R778 PolarHBondContact O-N 3.07Å; T775-R778 CarbonylContact O-C 3.59Å; T775-R778 WeakPolarHBondContact O-CA 3.47Å; T775-R778 WeakPolarHBondContact O-CB 3.45Å; T775-R778 PolarHBondContact O-N 3.37Å; R778-R780 PolarHBondContact O-N 3.4Å; R778-L781 CarbonylContact O-C 3.55Å; R778-L781 PolarHBondContact O-N 2.93Å; R778-L781 VanDerWaalsContact O-N 3.17Å; R778-Q782 WeakPolarHBondContact O-CB 3.43Å; R778-Q782 PolarHBondContact O-N 3.44Å
779E90.4Very high83.5Confident111 Ų111108 Ų10852%0.51955%0.553SS.*Hα-helixtrans-61-44.2179-70.3165.7165.900111.6T775 L781 Q782 L783T775-E779 WeakPolarHBondContact O-CG 3.34Å; T775-E779 PolarHBondContact O-N 2.83Å; E779-L781 VanDerWaalsContact C-N 3.32Å; E779-L781 PolarHBondContact O-N 3.08Å; E779-Q782 VanDerWaalsContact O-CB 3.32Å; E779-Q782 WeakPolarHBondContact O-CB 3.35Å; E779-Q782 PolarHBondContact O-N 3.05Å; E779-Q782 VanDerWaalsContact O-N 3.14Å; E779-L783 WeakPolarHBondContact O-CG 3.22Å; E779-L783 PolarHBondContact O-N 3.31Å
780R87Confident81.7Confident192 Ų192109.2 Ų109.273%0.72556%0.563SS**Hα-helixtrans-62.7-36.4174.4-170.4171-176.7158.13.3113.1A776 R778 L784A776-R780 WeakPolarHBondContact O-CB 3.44Å; A776-R780 PolarHBondContact O-N 3.21Å; R778-R780 PolarHBondContact O-N 3.4Å; R780-L784 WeakPolarHBondContact O-CG 3.29Å; R780-L784 PolarHBondContact O-N 2.93Å
781L86.6Confident79.6Confident117 Ų117110 Ų11061%0.61358%0.576SS**Hα-helixtrans-72.4-33.6173-73.1168.7000112.3K777 R778 E779 N785K777-L781 WeakPolarHBondContact O-CB 3.43Å; K777-L781 VanDerWaalsContact O-CG 3.32Å; K777-L781 WeakPolarHBondContact O-CG 3.47Å; K777-L781 PolarHBondContact O-N 2.86Å; R778-L781 CarbonylContact O-C 3.55Å; R778-L781 PolarHBondContact O-N 2.93Å; R778-L781 VanDerWaalsContact O-N 3.17Å; E779-L781 VanDerWaalsContact C-N 3.32Å; E779-L781 PolarHBondContact O-N 3.08Å; L781-N785 VanDerWaalsContact O-CB 3.29Å; L781-N785 WeakPolarHBondContact O-CB 3.45Å; L781-N785 PolarHBondContact O-N 3.26Å
782Q80.9Confident77.1Confident106 Ų106114.6 Ų114.650%0.49559%0.593SS.*Hα-helixtrans-62.2-46.7175-163.788.136.800110.2R778 E779 N785 T786R778-Q782 WeakPolarHBondContact O-CB 3.43Å; R778-Q782 PolarHBondContact O-N 3.44Å; E779-Q782 VanDerWaalsContact O-CB 3.32Å; E779-Q782 WeakPolarHBondContact O-CB 3.35Å; E779-Q782 PolarHBondContact O-N 3.05Å; E779-Q782 VanDerWaalsContact O-N 3.14Å; Q782-N785 PolarHBondContact O-N 3.42Å; Q782-T786 PolarHBondContact O-N 2.72Å; Q782-T786 PolarHBondContact O-OG1 3.41Å
783L83.7Confident74.9Confident117 Ų117117.5 Ų117.561%0.61360%0.603SS**Hα-helixtrans-61.4-48.3176.6-70.9169.3000112.2E779 N785 T786 E787E779-L783 WeakPolarHBondContact O-CG 3.22Å; E779-L783 PolarHBondContact O-N 3.31Å; L783-N785 VanDerWaalsContact C-N 3.27Å; L783-N785 PolarHBondContact O-N 2.77Å; L783-T786 WeakPolarHBondContact CA-OG1 3.35Å; L783-T786 PolarHBondContact O-N 3.17Å; L783-T786 VanDerWaalsContact O-N 3.15Å; L783-T786 PolarHBondContact O-OG1 2.94Å; L783-E787 WeakPolarHBondContact O-CB 3.29Å; L783-E787 PolarHBondContact O-N 3.36Å
784L76Confident72.5Confident76 Ų76120.4 Ų120.440%0.39862%0.62SS.*Hα-helixtrans-61.1-35.9175.5-73.1167000112.2R780 E787 L788R780-L784 WeakPolarHBondContact O-CG 3.29Å; R780-L784 PolarHBondContact O-N 2.93Å; L784-E787 PolarHBondContact O-N 3.22Å; L784-L788 WeakPolarHBondContact O-CB 3.39Å; L784-L788 VanDerWaalsContact O-CG 3.29Å; L784-L788 WeakPolarHBondContact O-CG 3.32Å; L784-L788 PolarHBondContact O-N 3.03Å
785N74.1Confident70Confident114 Ų114122.8 Ų122.861%0.6163%0.628SS**Hα-helixtrans-71.2-30.4177.4-161.547.8000112.3L781 Q782 L783 A789L781-N785 VanDerWaalsContact O-CB 3.29Å; L781-N785 WeakPolarHBondContact O-CB 3.45Å; L781-N785 PolarHBondContact O-N 3.26Å; Q782-N785 PolarHBondContact O-N 3.42Å; L783-N785 VanDerWaalsContact C-N 3.27Å; L783-N785 PolarHBondContact O-N 2.77Å; N785-A789 WeakPolarHBondContact O-CB 3.41Å; N785-A789 PolarHBondContact O-N 3.14Å
786T75.7Confident67.3Low91 Ų91127.2 Ų127.256%0.55865%0.648SS**Hα-helixtrans-75.6-33.617043.40000113.2Q782 L783 L788 A789Q782-T786 PolarHBondContact O-N 2.72Å; Q782-T786 PolarHBondContact O-OG1 3.41Å; L783-T786 WeakPolarHBondContact CA-OG1 3.35Å; L783-T786 PolarHBondContact O-N 3.17Å; L783-T786 VanDerWaalsContact O-N 3.15Å; L783-T786 PolarHBondContact O-OG1 2.94Å; T786-L788 VanDerWaalsContact C-N 3.34Å; T786-A789 PolarHBondContact O-N 3.48Å
787E66.4Low64.7Low143 Ų143132.1 Ų132.167%0.66866%0.661SS**Hα-helixtrans-69.3-32.8176.6-170.3173.3-161.300112L783 L784 A789L783-E787 WeakPolarHBondContact O-CB 3.29Å; L783-E787 PolarHBondContact O-N 3.36Å; L784-E787 PolarHBondContact O-N 3.22Å; E787-A789 VanDerWaalsContact C-N 3.32Å
788L59.2Low61.9Low145 Ų145133.3 Ų133.376%0.75968%0.678SS**THydrogen-bonded Turntrans-80.4-7.7172.2-67.9169.3000113.8L784 T786 V790L784-L788 WeakPolarHBondContact O-CB 3.39Å; L784-L788 VanDerWaalsContact O-CG 3.29Å; L784-L788 WeakPolarHBondContact O-CG 3.32Å; L784-L788 PolarHBondContact O-N 3.03Å; T786-L788 VanDerWaalsContact C-N 3.34Å; L788-V790 VanDerWaalsContact C-N 3.31Å; L788-V790 PolarHBondContact O-N 3.38Å
789A55.5Low59Low68 Ų68128 Ų12856%0.56268%0.679SS**  trans-92.739.5-176.900000113.4N785 T786 E787 P791N785-A789 WeakPolarHBondContact O-CB 3.41Å; N785-A789 PolarHBondContact O-N 3.14Å; T786-A789 PolarHBondContact O-N 3.48Å; E787-A789 VanDerWaalsContact C-N 3.32Å; A789-P791 WeakPolarHBondContact O-CD 3.5Å
790V55.4Low57.1Low111 Ų111129.3 Ų129.367%0.67370%0.697SS**  trans-87.3114.7172.1-1790000109.3L788L788-V790 VanDerWaalsContact C-N 3.31Å; L788-V790 PolarHBondContact O-N 3.38Å
791P48.8Very low54.4Low116 Ų116123.7 Ų123.775%0.75370%0.698SS**PPolyproline II helixtrans-75.1130.1-179.9-14.630.8000111.7A789A789-P791 WeakPolarHBondContact O-CD 3.5Å
792F42.8Very low51.7Low204 Ų204125 Ų12590%0.89571%0.705SS**PPolyproline II helixtrans-71.6128.3164.6-71.7-85.4000109.8
793Q44.7Very low49.3Very low188 Ų188127.7 Ų127.788%0.87972%0.717SS**PPolyproline II helixtrans-72130175.8-74.3-173-46.100111.4H795Q793-H795 PolarHBondContact O-N 3Å
794P41.6Very low46.7Very low119 Ų119127.8 Ų127.877%0.77373%0.727SS**  trans-80.9115.4171.131.2-31.4000110.5I796P794-I796 PolarHBondContact O-N 3.19Å
795H34.5Very low44.4Very low160 Ų160128.7 Ų128.774%0.74174%0.74SS**  trans-80.3113.5174.7-138.8-68.9000109.9Q793 H797Q793-H795 PolarHBondContact O-N 3Å; H795-H797 AromaticContact ND1-NE2 3.63Å
796I34.5Very low42.4Very low152 Ų152128.3 Ų128.378%0.77975%0.747SS**  trans-88.5128.2171.2-60.8178.1000108.3P794P794-I796 PolarHBondContact O-N 3.19Å
797H34.6Very low40.3Very low158 Ų158131.7 Ų131.773%0.73176%0.756SS**  trans-106.5124.6169.9-79.2-88.2000110.4H795H795-H797 AromaticContact ND1-NE2 3.63Å
798T33.1Very low38.5Very low135 Ų135132.2 Ų132.283%0.82876%0.762SS**  trans-79.8163.916541.50000111.5
799G34.5Very low37Very low66 Ų66129.2 Ų129.268%0.6875%0.754SS**  trans-68.1178.5-176.900000115.9
800P50.4Low35.6Very low138 Ų138135 Ų13590%0.89677%0.767SS**  trans-80.1146.9-161.731.5-36.7000115
801G28.7Very low34.3Very low73 Ų73137.1 Ų137.175%0.75377%0.773SS**  trans-152.3145.5167.200000109.4
802L29.9Very low33.3Very low144 Ų144136.6 Ų136.675%0.75477%0.772SS**  trans-96.6163.4-165.5-75.474.1000114.3
803H30.5Very low32.5Very low164 Ų164132.6 Ų132.676%0.75977%0.77SS**  trans95.3131.9151.2-61.5-66.1000120.6
804S28.7Very low31.7Very low118 Ų118128 Ų12883%0.82576%0.758SS**  trans62.4136.7150.4-62.40000119.2
805S29.4Very low31Very low96 Ų96131.2 Ų131.267%0.67176%0.763SS**  cis-172.8155.2-9.3171.20000107.2
806S31Very low30.6Very low106 Ų106130.3 Ų130.374%0.74176%0.764SS**  trans58.9141.9157.638.40000118.6
807Q31.7Very low31.3Very low162 Ų162128 Ų12876%0.75776%0.758SS**  cis152.8162.1-11.4-106.3-77.14.100105.1
808L29.6Very low31.1Very low153 Ų153127.8 Ų127.880%0.80176%0.762SS**  trans71.7148.7173.2-44.6-177.6000117.3
809S27.4Very low31Very low83 Ų83125.2 Ų125.258%0.5875%0.75SS**  cis-177.2165.7-37.8-1050000110
810F24.8Very low30.9Very low190 Ų190128.2 Ų128.283%0.83376%0.755SS**  trans69.5152.4166-61.8-61.6000117.1
811L29.1Very low30.1Very low155 Ų155127.3 Ų127.381%0.81274%0.743SS**  cis-147.3166.30.2-129.7177.4000111
812S27.4Very low30.2Very low104 Ų104132.6 Ų132.673%0.72775%0.745SS**  trans-103.9151.2-177.3-44.50000113.6
813S26.8Very low30.6Very low120 Ų120130.5 Ų130.584%0.83974%0.742SS**  trans179.4151149.3-85.60000111.6
814S27.6Very low32Very low92 Ų92127.6 Ų127.664%0.64374%0.738SS**  cis-169.7139.8-13.249.20000112.8
815Q26.9Very low32.4Very low186 Ų186130 Ų13087%0.86974%0.74SS**  trans68.8109142.5-67.4175.850.800122.1
816D26.3Very low32.5Very low141 Ų141129.8 Ų129.875%0.75474%0.739SS**  -24.2159.2127-114.1-62.5000115.6
817P47.9Very low32.5Very low103 Ų103134.6 Ų134.667%0.66975%0.747SS**  -159.8145.572.739-16.5000120.8
818L32.1Very low32.5Very low155 Ų155132 Ų13281%0.81275%0.746SS**  trans65164.6134.3-62.1172.7000120.6
819S29Very low32.5Very low81 Ų81130.4 Ų130.457%0.56675%0.747SS**  cis-173.9169.7-32.4-174.30000112.5
820T32.7Very low32.5Very low128 Ų128135.2 Ų135.279%0.78576%0.758SS**  trans94.3152.5152.476.90000121.1
821N34.4Very low32.7Very low120 Ų120133.3 Ų133.364%0.64276%0.755SS**  -168.8152-50.9-142.4-57000110.7
822K31.1Very low32.6Very low184 Ų184132.2 Ų132.280%0.875%0.75SS**  trans171.8166.3153.9-94.3152.7-146.777.20110.4
823S37.4Very low32.4Very low100 Ų100134.1 Ų134.170%0.69975%0.752SS**  cis166.7156.8-36.3-86.10000109.1
824P61.5Low32.6Very low103 Ų103134 Ų13467%0.66975%0.747SS**  cis-141.7170.5-41.342.1-25.9000114.7
825L36.1Very low32.6Very low167 Ų167134.6 Ų134.687%0.87475%0.75SS**  trans66.8148.8156.7-65.5159.4000118.9
826S32.5Very low32.5Very low93 Ų93134.8 Ų134.865%0.6575%0.749SS**  cis-168.7140.2-11.852.40000113
827K30Very low32.5Very low207 Ų207133.6 Ų133.690%0.975%0.747SS**  179.5156.3121.6-99172.7-178.1-1780112.8
828S31.8Very low31.4Very low106 Ų106134.9 Ų134.974%0.74175%0.753SS**  trans-94.5170.5-174.743.50000112.3
829C30Very low31.1Very low120 Ų120132.3 Ų132.381%0.81175%0.748SS**  cis-155.2-176.4-8.6-120.60000111.3
830F27.9Very low31.1Very low185 Ų185133 Ų13381%0.81175%0.752SS**  trans-49.5157.3-178.8-78.4-89.2000120.1
831L28.6Very low30.9Very low149 Ų149134.8 Ų134.878%0.7875%0.752SS**  trans82.8152147.5-78.1161000120.6
832N26.8Very low30.6Very low132 Ų132136.7 Ų136.771%0.70676%0.757SS**  trans-9.8143.4165-5910.7000116.5
833D24Very low30.5Very low145 Ų145133.6 Ų133.678%0.77575%0.749SS**  -154.9176.661.4-130-47.8000117.2
834T30.4Very low30.1Very low118 Ų118135.1 Ų135.172%0.72474%0.744SS**  trans-78.9146.9173.257.50000112.7
835S28.2Very low28.6Very low103 Ų103135 Ų13572%0.7275%0.746SS**  154.6145.7119.561.70000117.7
836F24.9Very low28.2Very low190 Ų190134.2 Ų134.283%0.83374%0.743SS**  trans55.3118.5137-74.5-48.2000127
837V25.4Very low28.1Very low117 Ų117135.1 Ų135.171%0.70975%0.749SS**  trans70.3152.2136.5-160.50000120.7
838T24.7Very low28.8Very low130 Ų130130.8 Ų130.880%0.79874%0.742SS**  trans73152.517477.10000115.2
839S25.3Very low28.6Very low101 Ų101130.5 Ų130.571%0.70674%0.74SS**  cis-168.8160.1-22.446.20000110.1
840S29.2Very low28.6Very low95 Ų95136.4 Ų136.466%0.66475%0.745SS**  trans49125.5145.8-65.70000124
841E28.4Very low28.6Very low165 Ų165132.7 Ų132.777%0.77174%0.742SS**  trans77.1129.9130.1-65.3172.7121.600122.8
842E29.5Very low28.6Very low161 Ų161130.9 Ų130.975%0.75274%0.742SS**  trans59.3135.1144.6-75.2-158.793.400120.9
843L28Very low28.9Very low119 Ų119129.9 Ų129.962%0.62375%0.745SS**  cis-151.4151.43.9-102.8-177000113.9
844H29.6Very low29.4Very low132 Ų132128.4 Ų128.461%0.61175%0.746SS**  trans53114.4146-72.8-17.6000124.5
845S28.8Very low29.6Very low101 Ų101131 Ų13171%0.70676%0.755SS**  90.391.8128.754.80000123
846N28.1Very low30.4Very low150 Ų150130.4 Ų130.480%0.80275%0.75SS**  72.499.7123.6-68.737.7000121.8
847S31.4Very low30.6Very low111 Ų111131.4 Ų131.478%0.77676%0.755SS**  trans76.6143.8131.3-54.20000117.5
848P43.8Very low31Very low116 Ų116135 Ų13575%0.75376%0.764SS**  cis-138.3-176.932.938.8-19.5000116.6
849S27.6Very low31.5Very low100 Ų100131.7 Ų131.770%0.69976%0.755SS**  trans120.4133.4142.2-57.10000119.5
850R29.3Very low31.9Very low244 Ų244133.8 Ų133.892%0.92176%0.764SS**  trans66.9160.6141.6-69.1174.870.1-151.80.4120
851S28.5Very low33.6Very low107 Ų107134.9 Ų134.975%0.74877%0.769SS**  trans-104.1155.2-171.930.40000112.8
852S29.2Very low35.2Very low112 Ų112132.2 Ų132.278%0.78377%0.766SS**  178.9141.6124.7-75.30000114
853S31.8Very low36.4Very low111 Ų111130.9 Ų130.978%0.77677%0.772SS**  trans41.9115.9145-50.40000123.8
854S35.6Very low36.6Very low114 Ų114133.6 Ų133.680%0.79778%0.781SS**  trans16.5140.2133.3-44.50000123
855L33.4Very low36.6Very low173 Ų173136.2 Ų136.291%0.90679%0.793SS**  -167.6177110.2-101.5169.7000113.3
856S46.6Very low36.7Very low89 Ų89136.3 Ų136.362%0.62279%0.794SS**  trans-106172.9-163.652.60000115.6
857F29Very low38Very low212 Ų212135 Ų13593%0.9379%0.794SS**  trans-169.5162.9140-102.3-62.2000115.5
858Q32.9Very low37.9Very low192 Ų192133.7 Ų133.790%0.89779%0.79SS**  trans-119.8165.1167.8-65.4170-4900108.3
859G34.6Very low37.8Very low60 Ų60133.8 Ų133.862%0.61979%0.793SS**  cis163.5-176.7-3.400000112.1
860T35.8Very low38.1Very low145 Ų145138.1 Ų138.189%0.8980%0.8SS**  trans65.8174.816043.30000120
861P64Low38Very low118 Ų118129.5 Ų129.577%0.76679%0.787SS**  cis-114.5-57.7-3.832.6-26.3000126.5
862P62Low38.1Very low110 Ų110131.8 Ų131.871%0.71479%0.785SS**  trans-119.5-178.5-132.241.5-27.5000115.8
863P53.8Low39.6Very low133 Ų133131.4 Ų131.486%0.86478%0.78SS**  cis-124.5-162.4-0.543.1-27.1000114.6
864Q33.6Very low39.4Very low175 Ų175133 Ų13382%0.81878%0.78SS**  trans-122.8161-165.8-137.1-171.920.100115.9
865Q28.3Very low39.1Very low187 Ų187134 Ų13487%0.87478%0.775SS**  trans-147.6167.8165.3-93.4-175.2-11.900110.7
866S31.5Very low39Very low103 Ų103133.4 Ų133.472%0.7277%0.773SS**  trans-132-127.8-158.9-58.80000116.7
867P56.2Low38Very low123 Ų123132.9 Ų132.980%0.79978%0.782SS**  -137.6-170.6-122.443.5-23000117.1
868A28.3Very low38Very low84 Ų84130.9 Ų130.969%0.69478%0.78SS**  157.1160.6122.700000115.8
869S42.9Very low37.7Very low118 Ų118128.5 Ų128.583%0.82577%0.773SS**  trans-144153.1168.8-54.10000110.2
870F32.6Very low37.2Very low191 Ų191136.9 Ų136.984%0.83879%0.786SS**  trans-153.5151.5177.2-93.2-87.8000111.4
871G27.7Very low36.7Very low62 Ų62133.3 Ų133.364%0.63978%0.778SS**  cis160.6-178.1-10.100000114.7
872Q30.9Very low36.1Very low155 Ų155133.5 Ų133.572%0.72478%0.78SS**  trans71.5161.5168.4-66.6-68.4-42.600118.2
873P59.3Low34.5Very low104 Ų104133.4 Ų133.468%0.67578%0.781SS**  cis-132.8161-018.57000119.1
874L28.9Very low33.3Very low145 Ų145133.8 Ų133.876%0.75978%0.776SS**  trans54.8151.2147.3-80.679.6000121.4
875L28.7Very low33.1Very low136 Ų136129 Ų12971%0.71277%0.767SS**  cis-161.3153.8-11.3-129.3-172.9000112
876N30.4Very low33.3Very low160 Ų160128.3 Ų128.386%0.85677%0.768SS**  trans57.4135.8154.9-98.913.5000123.6
877G27.2Very low33.1Very low78 Ų78126.8 Ų126.880%0.80477%0.769SS**  trans167.7126.1161.500000114.8
878L28.3Very low31.8Very low170 Ų170124.7 Ų124.789%0.8977%0.769SS**  trans-104.6157.9-170.9-69.8163.8000114.8
879N25.6Very low31.9Very low141 Ų141128.3 Ų128.375%0.75478%0.775SS**  trans85.3151.1140.3-113.7-29.4000122.6
880R25.9Very low31.2Very low236 Ų236127.1 Ų127.189%0.89177%0.767SS**  trans21.7139.7156.3-73.2179.5173.4-165.6-1.6121.4
881G24Very low31Very low70 Ų70126.8 Ų126.872%0.72277%0.768SS**  140.6152.4120.700000117.5
882P51.3Low31.1Very low123 Ų123130 Ų13080%0.79978%0.78SS**  trans-112.1171.1178.742.4-34000114.1
883S29.8Very low30.8Very low107 Ų107125.9 Ų125.975%0.74878%0.78SS**  trans158.7156.9149.341.30000109.3
884D27.8Very low29.3Very low142 Ų142125.5 Ų125.576%0.75979%0.785SS**  cis-157.6144.6-33.7-101.9-54.8000105.8
885A30.4Very low29.2Very low75 Ų75124.3 Ų124.362%0.6279%0.789SS**  54.5134.185.600000113.5
886L31.1Very low29.2Very low172 Ų172122.7 Ų122.790%0.90180%0.795SS**  cis-142.1174.67.5-70.792.3000109.3
887G27.9Very low29.1Very low71 Ų71123 Ų12373%0.73280%0.796SS**  cis138.8118.5-9.300000115
888G28.2Very low30.2Very low79 Ų79124.5 Ų124.581%0.81479%0.792SS**  trans89.9176.3160.800000118
889I30.5Very low30.2Very low159 Ų159123.2 Ų123.282%0.81579%0.791SS**  cis-153.4159.7-3.5-28.5162.6000110.2
890S29.1Very low30.3Very low93 Ų93120 Ų12065%0.6579%0.791SS**  trans49.8119.1149.951.30000120.8
891Q28.4Very low30.5Very low185 Ų185112.1 Ų112.186%0.86478%0.783SS**  79.4140.170.1-78.5-167.548.200116.8
892S28.5Very low31.2Very low128 Ų128116.6 Ų116.690%0.89579%0.79SS**  trans62.1162.1169.470.60000116.9
893G26.1Very low30.3Very low70 Ų70117.8 Ų117.872%0.72279%0.788SS**  cis161.5142.9-12.700000112.7
894A28.1Very low30.2Very low95 Ų95116.8 Ų116.879%0.78579%0.786SS**  trans59.9118167.800000120.7
895S26.9Very low30.4Very low121 Ų121114.6 Ų114.685%0.84678%0.782SS**  54.4131.3126.8-53.70000124.1
896A27.9Very low30.3Very low101 Ų101118.8 Ų118.884%0.83579%0.792SS**  trans97.4156.314400000120.7
897L28.8Very low30.3Very low166 Ų166115 Ų11587%0.86979%0.786SS**  trans-94.8-170.9-176.3-52.4167.1000109.7
898P50.2Low30.2Very low110 Ų110115.4 Ų115.471%0.71479%0.789SS**  cis-139.4-170.8-131.7-6.6000115.7
899V27.2Very low30.7Very low143 Ų143117.3 Ų117.387%0.86779%0.791SS**  trans70.6144.2165.1-163.20000116
900G28.4Very low32.1Very low73 Ų73115.3 Ų115.375%0.75379%0.788SS**  cis145.2124.2-14.600000114.7
901G30.2Very low31.9Very low71 Ų71118.9 Ų118.973%0.73279%0.794SS**  trans137.4113.4156.200000120.8
902L37.8Very low32.1Very low165 Ų165116.9 Ų116.986%0.86479%0.789SS**  trans70.3153.1133.6-62.5174.2000121.9
903I33.6Very low32Very low147 Ų147117.4 Ų117.475%0.75478%0.781SS**  cis-100.7-131.38.5-30.5-178.8000113
904A27Very low32.4Very low87 Ų87120.7 Ų120.772%0.71978%0.78SS**  cis-147.1147.85.300000108
905S31.3Very low32.5Very low95 Ų95123 Ų12366%0.66478%0.779SS**  73.412257.8-56.60000114.6
906I29.4Very low32.5Very low164 Ų164120.5 Ų120.584%0.84177%0.773SS**  cis-161.5166.66.2-104157.7000108.5
907A31.9Very low32.6Very low93 Ų93122.1 Ų122.177%0.76977%0.772SS**  cis-175.2146.4-48.300000111.8
908G25.6Very low32.5Very low78 Ų78122.4 Ų122.480%0.80477%0.773SS**  trans106.2156.7152.400000119.4
909S38.9Very low31.3Very low120 Ų120120.3 Ų120.384%0.83977%0.771SS**  cis-168.2-163.9-14.456.40000110.8
910P58.2Low31.6Very low116 Ų116117.1 Ų117.175%0.75377%0.768SS**  -135.6-178.2-101.142.9-24000117.2
911Q25.7Very low31.7Very low168 Ų168121.8 Ų121.879%0.78578%0.775SS**  trans-177.6115.4139.1-80.6-1212.700108.8
912L32.9Very low32Very low144 Ų144125.9 Ų125.975%0.75478%0.78SS**  75.3152.291.3-69.8170.1000114.7
913N26.6Very low31.7Very low138 Ų138120.8 Ų120.874%0.73877%0.767SS**  cis-139-11315.3-161.10.7000116.1
914M32.9Very low31.5Very low140 Ų140120.3 Ų120.369%0.6977%0.771SS**  trans-151.2154.4-158.1-77.5-112.384.900116.9
915N30.8Very low31.7Very low142 Ų142122.3 Ų122.376%0.75977%0.768SS**  trans53.4136.4140.1-61.4-12.4000126.2
916G26.7Very low31.5Very low70 Ų70125.4 Ų125.472%0.72277%0.772SS**  128103.1113.200000123.3
917V29.9Very low31.4Very low134 Ų134122.9 Ų122.981%0.81277%0.769SS**  55.8135.4127.7178.70000123.3
918L28.3Very low32.1Very low172 Ų172124 Ų12490%0.90177%0.769SS**  trans65163.1166.3-73.7164.2000117.7
919G25Very low32.2Very low66 Ų66124.6 Ų124.668%0.6877%0.766SS**  cis152.9113.3-13.600000115.3
920G31.9Very low31.8Very low77 Ų77127.3 Ų127.379%0.79477%0.765SS**  trans80.2169.6-179.500000114
921L32.1Very low30.3Very low171 Ų171126.1 Ų126.190%0.89576%0.76SS**  cis-156.7171.44-67.5173.9000107.9
922N36.5Very low30.3Very low156 Ų156122.4 Ų122.483%0.83476%0.758SS**  cis-171151.5-37.6-171.37.3000108.4
923G30.5Very low30Very low59 Ų59125 Ų12561%0.60877%0.766SS**  trans155.8111.4174.100000114.1
924V29.8Very low29.9Very low137 Ų137126.5 Ų126.583%0.8377%0.768SS**  83.5120.172.1165.40000111.1
925I31.5Very low30.1Very low129 Ų129125.1 Ų125.166%0.66277%0.77SS**  cis-157.1154.721.7-139.4168.9000114.2
926Q26.4Very low29.8Very low159 Ų159123.4 Ų123.474%0.74377%0.769SS**  trans45.3135.7155.7-69.7161.439.800121.8
927S28.2Very low29.7Very low111 Ų111127.9 Ų127.978%0.77678%0.776SS**  cis84.8152.348.4-590000114.2
928P44.8Very low30.4Very low117 Ų117127.3 Ų127.376%0.7678%0.775SS**  cis-135.8175.57.743.5-27.4000117.5
929A29.4Very low30.2Very low90 Ų90124.2 Ų124.274%0.74477%0.774SS**  trans58.4145.1145.400000120.8
930Q30.5Very low30.3Very low177 Ų177129.4 Ų129.483%0.82779%0.785SS**  cis-174.2178.2-3.4-108.4-154.599.400106.6
931S26.4Very low30.6Very low91 Ų91137.3 Ų137.364%0.63679%0.791SS**  cis-177.1167.6-29.256.90000107.2
932A26.2Very low30.6Very low90 Ų90135.3 Ų135.374%0.74479%0.788SS**  cis-167.2-175.3-3400000109.4
933Q26.1Very low30Very low198 Ų198136.4 Ų136.493%0.92579%0.789SS**  trans79.9141.7164.4-66.9-174.4-20.600121.5
934Q23.6Very low30.9Very low170 Ų170138.3 Ų138.379%0.79479%0.79SS**  trans-105.4154.3167.7-101.1-90.8-21.900107.1
935P37.6Very low31.5Very low111 Ų111137.6 Ų137.672%0.72179%0.788SS**  -156.9166.480.940.8-21000119.3
936S24.5Very low32Very low107 Ų107137.3 Ų137.375%0.74880%0.795SS**  trans89.4174.5146.379.80000120.6
937L24.8Very low32.2Very low164 Ų164138 Ų13886%0.85980%0.803SS**  trans-108.2-171.7-152.8-59166.9000112.6
938P44.2Very low32Very low122 Ų122140.8 Ų140.879%0.79281%0.809SS**  -129.3156.1-72.238.7-24000113.5
939A24Very low31.2Very low107 Ų107138.9 Ų138.988%0.88480%0.803SS**  trans-150157.2168.300000113.9
940L27.4Very low31.1Very low174 Ų174143.8 Ų143.891%0.91181%0.81SS**  trans-76.3160.9-168.7-73.9147.7000115.4
941R38Very low30.9Very low243 Ų243139.6 Ų139.692%0.91781%0.807SS**  trans72.4130.2172.2-95-178.1172152.9-2.1118.1
942P32.2Very low31Very low129 Ų129143 Ų14384%0.83882%0.816SS**  trans-135.9176.513538.9-27.3000113.8
943Q23.6Very low31Very low180 Ų180142.6 Ų142.684%0.84181%0.813SS**  trans-134.9-159.6164.8-155.8-154.918.900109.2
944P49.2Very low31.3Very low99 Ų99142 Ų14264%0.64381%0.81SS**  -83.4-177.7-129.241.7-28.9000115.4
945P43Very low31.5Very low122 Ų122136.9 Ų136.979%0.79280%0.804SS**  cis-111-115.63.431.6-9.2000112.8
946P41.5Very low31.1Very low123 Ų123140 Ų14080%0.79981%0.806SS**  cis-111.8-150.55.945-33.6000114.2
947L30.2Very low31.2Very low174 Ų174142 Ų14291%0.91180%0.804SS**  trans-123.1129.2174.3-74.5167000111.4
948N25.2Very low31.2Very low169 Ų169141 Ų14190%0.90480%0.799SS**  -176-176.4116.1-147.3-16.8000110.4
949A28.3Very low30.7Very low77 Ų77140.7 Ų140.764%0.63680%0.796SS**  trans-92.4162.5-163.400000117.5
950Q27.6Very low31.1Very low192 Ų192145.1 Ų145.190%0.89780%0.796SS**  trans67.3108162.5-61.5-176.9-26.400119.9
951A26.3Very low31.1Very low90 Ų90144.7 Ų144.774%0.74479%0.794SS**  173.8161.9121.600000113
952L27.7Very low30.5Very low161 Ų161137.6 Ų137.684%0.84379%0.788SS**  trans58126.2177.9-65.1105.7000116.9
953A27Very low30.5Very low82 Ų82136.3 Ų136.368%0.67878%0.782SS**  cis84.1138.611.100000118.1
954Q30.6Very low30.9Very low185 Ų185133.8 Ų133.886%0.86478%0.781SS**  trans70.3142.5-176.8-47-172.41600114.9
955G29.7Very low30.3Very low64 Ų64134.2 Ų134.266%0.6679%0.787SS**  cis174.4142.8-7.600000108.7
956F27.6Very low30.2Very low176 Ų176132.7 Ų132.777%0.77278%0.779SS**  151.9152.198.4-95.3-103.8000105.2
957Q26.5Very low29.9Very low150 Ų150136.4 Ų136.470%0.70178%0.783SS**  cis-155.1160.3-21.3-116.7-177.57.700105.3
958L25.2Very low30.6Very low142 Ų142135 Ų13574%0.74378%0.775SS**  171.5177.177.5-15871.2000107.6
959P34.3Very low32Very low115 Ų115130.2 Ų130.275%0.74776%0.755SS**  -97.6177.9-8338-25.2000114
960K32.5Very low33.1Very low200 Ų200134.4 Ų134.487%0.8776%0.762SS**  trans-94.3152.9172.9-60.2174.6-179.9176.30111.6
961N26.6Very low34Very low165 Ų165132.8 Ų132.888%0.88275%0.754SS**  trans-158.5148.8136.4-122.1-15.4000113
962A26.9Very low35.1Very low95 Ų95133.3 Ų133.379%0.78574%0.741SS**  trans48.6119.1170.700000119.9
963S30.5Very low36.5Very low101 Ų101133.2 Ų133.271%0.70673%0.734SS**  trans-72.8167.5164.6-47.60000111.8
964P33.2Very low37.9Very low128 Ų128135 Ų13583%0.83173%0.729SS**  -126.7137.992.635.8-31000113.2
965S35.4Very low39.2Very low108 Ų108131.4 Ų131.476%0.75571%0.714SS**  trans-139.159.9179.363.40000111.2
966S41Very low40.7Very low90 Ų90132.8 Ų132.863%0.62971%0.706SS**  trans-154.5130.3168.441.10000106.7
967F35.9Very low42.3Very low201 Ų201129.4 Ų129.488%0.88270%0.696SS**  cis-125.6137.910.8-65.5-106.6000111
968L45.4Very low44.2Very low143 Ų143128.1 Ų128.175%0.74969%0.69SS**  trans-118.3128.4153-69.6177.6000106.8
969S54.9Low45.9Very low70 Ų70126.3 Ų126.349%0.4968%0.677SS.*  trans-64.1144.2179176.70000110.7Q971 Q972 K973S969-Q971 PolarHBondContact O-N 3.34Å; S969-Q971 PolarHBondContact OG-N 2.99Å; S969-Q972 WeakPolarHBondContact O-CB 3.4Å; S969-Q972 PolarHBondContact O-N 3.39Å; S969-K973 PolarHBondContact O-N 3.36Å
970E51Low47.1Very low165 Ų165125 Ų12577%0.77166%0.662SS**Hα-helixtrans-54.9-33.9173.4-72.6-171.284.600111.9Q972 K973 Q974E970-Q972 PolarHBondContact O-N 3.48Å; E970-K973 WeakPolarHBondContact O-CB 3.43Å; E970-K973 PolarHBondContact O-N 3.01Å; E970-K973 VanDerWaalsContact O-N 3.07Å; E970-Q974 WeakPolarHBondContact O-CB 3.3Å; E970-Q974 PolarHBondContact O-N 3.42Å
971Q45.5Very low48.7Very low157 Ų157122 Ų12273%0.73465%0.65SS**Hα-helixtrans-55.5-37.7173.8-171.4-179.956.300112.6S969 Q974 L975S969-Q971 PolarHBondContact O-N 3.34Å; S969-Q971 PolarHBondContact OG-N 2.99Å; Q971-Q974 PolarHBondContact O-N 3.12Å; Q971-L975 WeakPolarHBondContact O-CB 3.48Å; Q971-L975 PolarHBondContact O-N 3.36Å
972Q50.1Low50.4Low102 Ų102119.1 Ų119.148%0.47763%0.632SS.*Hα-helixtrans-78.2-27.8179.6-163.4170.811.700112.3S969 E970 L976S969-Q972 WeakPolarHBondContact O-CB 3.4Å; S969-Q972 PolarHBondContact O-N 3.39Å; E970-Q972 PolarHBondContact O-N 3.48Å; Q972-L976 PolarHBondContact O-N 3.12Å
973K57.4Low52.1Low159 Ų159116.5 Ų116.569%0.69160%0.604SS**Hα-helixtrans-71.2-40.7169.9-172.2-175.5176.5-168.80111.1S969 E970 L976 L977S969-K973 PolarHBondContact O-N 3.36Å; E970-K973 WeakPolarHBondContact O-CB 3.43Å; E970-K973 PolarHBondContact O-N 3.01Å; E970-K973 VanDerWaalsContact O-N 3.07Å; K973-L976 PolarHBondContact O-N 3.39Å; K973-L977 PolarHBondContact O-N 3.47Å
974Q56.3Low53.6Low120 Ų120118 Ų11856%0.56160%0.6SS**Hα-helixtrans-63.7-47.9176.6-160.369.35.500111.2E970 Q971 L976 L977 E978E970-Q974 WeakPolarHBondContact O-CB 3.3Å; E970-Q974 PolarHBondContact O-N 3.42Å; Q971-Q974 PolarHBondContact O-N 3.12Å; Q974-L976 VanDerWaalsContact C-N 3.27Å; Q974-L976 PolarHBondContact O-N 3.04Å; Q974-L977 WeakPolarHBondContact O-CB 3.47Å; Q974-L977 PolarHBondContact O-N 3.17Å; Q974-E978 WeakPolarHBondContact O-CB 3.48Å; Q974-E978 PolarHBondContact O-N 3.1Å
975L58.4Low54.9Low108 Ų108118 Ų11857%0.56559%0.589SS**Hα-helixtrans-58.6-36.6177-166.875.8000112.6Q971 Q979Q971-L975 WeakPolarHBondContact O-CB 3.48Å; Q971-L975 PolarHBondContact O-N 3.36Å; L975-Q979 VanDerWaalsContact O-CB 3.3Å; L975-Q979 WeakPolarHBondContact O-CB 3.34Å; L975-Q979 PolarHBondContact O-N 3.14Å
976L60Low56.2Low94 Ų94117 Ų11749%0.49257%0.571SS.*Hα-helixtrans-68.9-37176.4-166.474.7000112.1Q972 K973 Q974 Q980Q972-L976 PolarHBondContact O-N 3.12Å; K973-L976 PolarHBondContact O-N 3.39Å; Q974-L976 VanDerWaalsContact C-N 3.27Å; Q974-L976 PolarHBondContact O-N 3.04Å; L976-Q980 WeakPolarHBondContact O-CB 3.4Å; L976-Q980 PolarHBondContact O-N 3.08Å; L976-Q980 VanDerWaalsContact O-N 3.09Å
977L62.1Low57.2Low105 Ų105113.5 Ų113.555%0.5555%0.545SS..Hα-helixtrans-71.9-41.9178.8-151.874.7000111.4K973 Q974 Q980 Q981K973-L977 PolarHBondContact O-N 3.47Å; Q974-L977 WeakPolarHBondContact O-CB 3.47Å; Q974-L977 PolarHBondContact O-N 3.17Å; L977-Q980 WeakPolarHBondContact O-CB 3.44Å; L977-Q980 PolarHBondContact O-N 2.93Å; L977-Q981 PolarHBondContact O-N 3.47Å
978E65.4Low58.2Low123 Ų123108 Ų10858%0.57554%0.536SS*.Hα-helixtrans-65.1-43.6176-168.7171.59400111.5Q974 Q980 Q981 Q982Q974-E978 WeakPolarHBondContact O-CB 3.48Å; Q974-E978 PolarHBondContact O-N 3.1Å; E978-Q980 VanDerWaalsContact C-N 3.3Å; E978-Q980 PolarHBondContact O-N 3.36Å; E978-Q981 PolarHBondContact O-N 3.26Å; E978-Q982 WeakPolarHBondContact O-CB 3.3Å; E978-Q982 PolarHBondContact O-N 3.11Å
979Q61.3Low58.7Low103 Ų103104.9 Ų104.948%0.48153%0.527SS..Hα-helixtrans-59.4-39.8171.9-171.5-167.4110.700111.9L975 L983L975-Q979 VanDerWaalsContact O-CB 3.3Å; L975-Q979 WeakPolarHBondContact O-CB 3.34Å; L975-Q979 PolarHBondContact O-N 3.14Å; Q979-L983 WeakPolarHBondContact O-CB 3.36Å; Q979-L983 PolarHBondContact O-N 3.49Å
980Q59.3Low58.8Low89 Ų89106.9 Ų106.942%0.41653%0.529SS..Hα-helixtrans-64.8-41.1176.5-178.71719.900111.8L976 L977 E978 L983 Q984L976-Q980 WeakPolarHBondContact O-CB 3.4Å; L976-Q980 PolarHBondContact O-N 3.08Å; L976-Q980 VanDerWaalsContact O-N 3.09Å; L977-Q980 WeakPolarHBondContact O-CB 3.44Å; L977-Q980 PolarHBondContact O-N 2.93Å; E978-Q980 VanDerWaalsContact C-N 3.3Å; E978-Q980 PolarHBondContact O-N 3.36Å; Q980-L983 PolarHBondContact O-N 3.39Å; Q980-Q984 PolarHBondContact O-N 3.32Å
981Q65.3Low58.6Low135 Ų135107.3 Ų107.363%0.63154%0.536SS*.Hα-helixtrans-71-41.5179.3-167.5165.876.700112.2L977 E978 L983 Q984 Q985L977-Q981 PolarHBondContact O-N 3.47Å; E978-Q981 PolarHBondContact O-N 3.26Å; Q981-L983 VanDerWaalsContact C-N 3.28Å; Q981-L983 PolarHBondContact O-N 2.79Å; Q981-Q984 WeakPolarHBondContact O-CB 3.4Å; Q981-Q984 PolarHBondContact O-N 3.42Å; Q981-Q985 PolarHBondContact O-N 2.89Å
982Q62.6Low59.3Low106 Ų106103.7 Ų103.750%0.49552%0.518SS..Hα-helixtrans-65.7-30.1175.4-162.5-172.369.200112.4E978 F986E978-Q982 WeakPolarHBondContact O-CB 3.3Å; E978-Q982 PolarHBondContact O-N 3.11Å; Q982-F986 WeakPolarHBondContact O-CB 3.45Å; Q982-F986 PolarHBondContact O-N 3.02Å; Q982-F986 VanDerWaalsContact O-N 3.12Å
983L63Low60.3Low40 Ų40101.9 Ų101.921%0.20951%0.514CS..Hα-helixtrans-70.3-44.4170.5175.864.6000112.1Q979 Q980 Q981 Q985 F986 L987 L1004Q979-L983 WeakPolarHBondContact O-CB 3.36Å; Q979-L983 PolarHBondContact O-N 3.49Å; Q980-L983 PolarHBondContact O-N 3.39Å; Q981-L983 VanDerWaalsContact C-N 3.28Å; Q981-L983 PolarHBondContact O-N 2.79Å; L983-Q985 VanDerWaalsContact C-N 3.28Å; L983-Q985 PolarHBondContact O-N 2.9Å; L983-F986 PolarHBondContact O-N 3.44Å; L983-F986 VanDerWaalsContact O-N 3.12Å; L983-L987 HydrophobicContact CD1-CD1 4.05Å; L983-L987 HydrophobicContact CD1-CG 4.17Å; L983-L987 HydrophobicContact CG-CD1 3.98Å; L983-L987 WeakPolarHBondContact O-CG 3.48Å; L983-L987 PolarHBondContact O-N 3.49Å; L983-L1004 HydrophobicContact CD1-CD2 3.52Å; L983-L1004 HydrophobicContact CD2-CD2 3.33Å; L983-L1004 HydrophobicContact CG-CD2 4.04Å
984Q61.6Low60.5Low131 Ų13199.3 Ų99.361%0.61251%0.514SS*.Hα-helixtrans-57.2-43.9177.8-16291.172.700110.7Q980 Q981 A988Q980-Q984 PolarHBondContact O-N 3.32Å; Q981-Q984 WeakPolarHBondContact O-CB 3.4Å; Q981-Q984 PolarHBondContact O-N 3.42Å; Q984-A988 PolarHBondContact O-N 3.24Å
985Q60.3Low60.9Low130 Ų130101 Ų10161%0.60752%0.522SS*.Hα-helixtrans-64.5-42.7173.8-73.5178.5-17.400112.6Q981 L983 L987 A988 S989Q981-Q985 PolarHBondContact O-N 2.89Å; L983-Q985 VanDerWaalsContact C-N 3.28Å; L983-Q985 PolarHBondContact O-N 2.9Å; Q985-L987 VanDerWaalsContact C-N 3.34Å; Q985-L987 PolarHBondContact O-N 3.4Å; Q985-A988 PolarHBondContact O-N 3.33Å; Q985-S989 VanDerWaalsContact O-CB 3.31Å; Q985-S989 WeakPolarHBondContact O-CB 3.47Å; Q985-S989 PolarHBondContact O-N 3.39Å; Q985-S989 PolarHBondContact O-OG 3.12Å
986F63Low61.1Low86 Ų86100.6 Ų100.638%0.37752%0.517SS..Hα-helixtrans-60.9-42.6178.4-175.2-112.7000112.3Q982 L983 A988 S989Q982-F986 WeakPolarHBondContact O-CB 3.45Å; Q982-F986 PolarHBondContact O-N 3.02Å; Q982-F986 VanDerWaalsContact O-N 3.12Å; L983-F986 PolarHBondContact O-N 3.44Å; L983-F986 VanDerWaalsContact O-N 3.12Å; F986-A988 VanDerWaalsContact C-N 3.29Å; F986-A988 PolarHBondContact O-N 2.97Å; F986-S989 WeakPolarHBondContact CA-OG 3.41Å; F986-S989 PolarHBondContact O-N 3.12Å; F986-S989 PolarHBondContact O-OG 3Å
987L61.5Low61.2Low17 Ų1799.7 Ų99.79%0.08951%0.51CS..Hα-helixtrans-68.5-24.7177.2-69.3167.3000113.7L983 Q985 Q997 V1000L983-L987 HydrophobicContact CD1-CD1 4.05Å; L983-L987 HydrophobicContact CD1-CG 4.17Å; L983-L987 HydrophobicContact CG-CD1 3.98Å; L983-L987 WeakPolarHBondContact O-CG 3.48Å; L983-L987 PolarHBondContact O-N 3.49Å; Q985-L987 VanDerWaalsContact C-N 3.34Å; Q985-L987 PolarHBondContact O-N 3.4Å; L987-Q997 HydrophobicContact CD2-CG 4.06Å; L987-Q997 PolarHBondContact O-NE2 3.39Å; L987-V1000 HydrophobicContact CD2-CG1 3.97Å
988A57.3Low61.5Low84 Ų8497.4 Ų97.469%0.69451%0.506SS*.Hα-helixtrans-88.5-21.3174.900000113.5Q984 Q985 F986 Q990Q984-A988 PolarHBondContact O-N 3.24Å; Q985-A988 PolarHBondContact O-N 3.33Å; F986-A988 VanDerWaalsContact C-N 3.29Å; F986-A988 PolarHBondContact O-N 2.97Å; A988-Q990 VanDerWaalsContact C-N 3.3Å; A988-Q990 PolarHBondContact O-N 3.44Å
989S57.4Low62.1Low79 Ų7995.6 Ų95.655%0.55250%0.504SS*.SBendtrans-79.1-4.3-17566.50000115.6Q985 F986Q985-S989 VanDerWaalsContact O-CB 3.31Å; Q985-S989 WeakPolarHBondContact O-CB 3.47Å; Q985-S989 PolarHBondContact O-N 3.39Å; Q985-S989 PolarHBondContact O-OG 3.12Å; F986-S989 WeakPolarHBondContact CA-OG 3.41Å; F986-S989 PolarHBondContact O-N 3.12Å; F986-S989 PolarHBondContact O-OG 3Å
990Q55.6Low62.6Low112 Ų11293 Ų9352%0.52349%0.494SS..SBendtrans-136.9135.3-175-74.6-74.924.500110.6A988 F992A988-Q990 VanDerWaalsContact C-N 3.3Å; A988-Q990 PolarHBondContact O-N 3.44Å; Q990-F992 HydrophobicContact CB-CD2 3.61Å; Q990-F992 HydrophobicContact CB-CE2 3.4Å; Q990-F992 VanDerWaalsContact CB-CE2 3.4Å; Q990-F992 HydrophobicContact CB-CZ 4.17Å; Q990-F992 HydrophobicContact CG-CE2 4Å; Q990-F992 PolarHBondContact O-N 2.99Å
991N48.1Very low63Low174 Ų17491.1 Ų91.193%0.9349%0.491SS*.  trans-76.564177-81.5-69.5000111.8
992F59.4Low63.5Low80 Ų8091.3 Ų91.335%0.35149%0.492SS..  trans-73.4143.5166.8-69.5-66.6000110.4Q990 Q996 Q997Q990-F992 HydrophobicContact CB-CD2 3.61Å; Q990-F992 HydrophobicContact CB-CE2 3.4Å; Q990-F992 VanDerWaalsContact CB-CE2 3.4Å; Q990-F992 HydrophobicContact CB-CZ 4.17Å; Q990-F992 HydrophobicContact CG-CE2 4Å; Q990-F992 PolarHBondContact O-N 2.99Å; F992-Q996 HydrophobicContact CB-CB 4.22Å; F992-Q996 HydrophobicContact CD1-CB 4.3Å; F992-Q997 HydrophobicContact CB-CB 4.4Å
993T71.3Confident63.8Low64 Ų6492.2 Ų92.239%0.39350%0.497SS..  trans-65.9153.9169.563.50000110.1E995 Q996 Q997T993-E995 PolarHBondContact O-N 3.2Å; T993-E995 VanDerWaalsContact O-N 3.09Å; T993-Q996 PolarHBondContact O-N 2.9Å; T993-Q996 WeakPolarHBondContact OG1-CG 3.44Å; T993-Q997 PolarHBondContact O-N 2.74Å
994P61.9Low64.2Low106 Ų10693.2 Ų93.269%0.68850%0.503SS*.Hα-helixtrans-55.4-33.5-176.6-2835.9000113.7Q997 A998P994-Q997 PolarHBondContact O-N 3.25Å; P994-A998 WeakPolarHBondContact O-CB 3.43Å; P994-A998 PolarHBondContact O-N 2.91Å
995E63.9Low64.5Low155 Ų15592.9 Ų92.972%0.72450%0.501SS*.Hα-helixtrans-69.2-42.9177.6-59.4172.8139.400111.9T993 A998 V999T993-E995 PolarHBondContact O-N 3.2Å; T993-E995 VanDerWaalsContact O-N 3.09Å; E995-A998 PolarHBondContact O-N 3.07Å; E995-V999 WeakPolarHBondContact O-CG2 3.47Å; E995-V999 PolarHBondContact O-N 3.15Å
996Q62.3Low65Low100 Ų10091 Ų9147%0.46749%0.493SS..Hα-helixtrans-65-42.1173.7-70.2172.6-8.700111.1F992 T993 A998 V999 V1000F992-Q996 HydrophobicContact CB-CB 4.22Å; F992-Q996 HydrophobicContact CD1-CB 4.3Å; T993-Q996 PolarHBondContact O-N 2.9Å; T993-Q996 WeakPolarHBondContact OG1-CG 3.44Å; Q996-A998 VanDerWaalsContact C-N 3.33Å; Q996-A998 PolarHBondContact O-N 3.29Å; Q996-V999 PolarHBondContact O-N 2.83Å; Q996-V1000 WeakPolarHBondContact O-CG2 3.42Å; Q996-V1000 PolarHBondContact O-N 3.07Å
997Q62.7Low65.3Low74 Ų7490.7 Ų90.735%0.34649%0.492SS..Hα-helixtrans-63.3-39.7177-155-174.353.800111.2L987 F992 T993 P994 V1000 C1001L987-Q997 HydrophobicContact CD2-CG 4.06Å; L987-Q997 PolarHBondContact O-NE2 3.39Å; F992-Q997 HydrophobicContact CB-CB 4.4Å; T993-Q997 PolarHBondContact O-N 2.74Å; P994-Q997 PolarHBondContact O-N 3.25Å; Q997-V1000 PolarHBondContact O-N 3.18Å; Q997-C1001 WeakPolarHBondContact O-CB 3.45Å; Q997-C1001 PolarHBondContact O-N 3.32Å; Q997-C1001 PolarHBondContact O-SG 2.91Å
998A69.3Low65.2Low57 Ų5793.9 Ų93.947%0.47150%0.503SS..Hα-helixtrans-63.3-45.2173.800000112.6P994 E995 Q996 C1001 Q1002P994-A998 WeakPolarHBondContact O-CB 3.43Å; P994-A998 PolarHBondContact O-N 2.91Å; E995-A998 PolarHBondContact O-N 3.07Å; Q996-A998 VanDerWaalsContact C-N 3.33Å; Q996-A998 PolarHBondContact O-N 3.29Å; A998-C1001 PolarHBondContact O-N 3.39Å; A998-Q1002 WeakPolarHBondContact O-CB 3.31Å; A998-Q1002 PolarHBondContact O-N 3.31Å
999V76.4Confident65.6Low85 Ų8595.9 Ų95.952%0.51550%0.498SS..Hα-helixtrans-63.2-42.7176.7170.20000111.6E995 Q996 Q1002 M1003E995-V999 WeakPolarHBondContact O-CG2 3.47Å; E995-V999 PolarHBondContact O-N 3.15Å; Q996-V999 PolarHBondContact O-N 2.83Å; V999-Q1002 PolarHBondContact O-N 2.88Å; V999-M1003 VanDerWaalsContact O-CB 3.3Å; V999-M1003 WeakPolarHBondContact O-CB 3.38Å; V999-M1003 PolarHBondContact O-N 2.98Å
1000V72.1Confident65.8Low48 Ų4899 Ų9929%0.29150%0.498SS..Hα-helixtrans-63.7-45.4176.2171.30000111.1L987 Q996 Q997 Q1002 M1003 L1004L987-V1000 HydrophobicContact CD2-CG1 3.97Å; Q996-V1000 WeakPolarHBondContact O-CG2 3.42Å; Q996-V1000 PolarHBondContact O-N 3.07Å; Q997-V1000 PolarHBondContact O-N 3.18Å; V1000-Q1002 PolarHBondContact O-N 3.2Å; V1000-M1003 PolarHBondContact O-N 3.17Å; V1000-L1004 WeakPolarHBondContact O-CB 3.45Å; V1000-L1004 PolarHBondContact O-N 3.09Å
1001C67.6Low66Low50 Ų5097.3 Ų97.334%0.33849%0.489SS..Hα-helixtrans-58.9-46174.5-78.10000112.2Q997 A998 L1004 Q1005Q997-C1001 WeakPolarHBondContact O-CB 3.45Å; Q997-C1001 PolarHBondContact O-N 3.32Å; Q997-C1001 PolarHBondContact O-SG 2.91Å; A998-C1001 PolarHBondContact O-N 3.39Å; C1001-L1004 PolarHBondContact O-N 2.9Å; C1001-Q1005 VanDerWaalsContact O-CB 3.29Å; C1001-Q1005 WeakPolarHBondContact O-CB 3.47Å; C1001-Q1005 PolarHBondContact O-N 3.05Å
1002Q75.4Confident66.6Low139 Ų13993.7 Ų93.765%0.6547%0.47SS*.Hα-helixtrans-66.5-41.8-179.7-168.6175.643.700112A998 V999 V1000 L1004 Q1005 Q1006A998-Q1002 WeakPolarHBondContact O-CB 3.31Å; A998-Q1002 PolarHBondContact O-N 3.31Å; V999-Q1002 PolarHBondContact O-N 2.88Å; V1000-Q1002 PolarHBondContact O-N 3.2Å; Q1002-L1004 PolarHBondContact O-N 3.18Å; Q1002-Q1005 PolarHBondContact O-N 3.39Å; Q1002-Q1006 WeakPolarHBondContact O-CB 3.34Å; Q1002-Q1006 PolarHBondContact O-N 3.2Å
1003M69.6Low66.5Low125 Ų12596.3 Ų96.362%0.61648%0.483SS*.Hα-helixtrans-60.2-45.2175.4-167.6-164.1-4800111.3V999 V1000 Q1006 Q1007V999-M1003 VanDerWaalsContact O-CB 3.3Å; V999-M1003 WeakPolarHBondContact O-CB 3.38Å; V999-M1003 PolarHBondContact O-N 2.98Å; V1000-M1003 PolarHBondContact O-N 3.17Å; M1003-Q1006 PolarHBondContact O-N 3.38Å; M1003-Q1007 PolarHBondContact O-N 3.23Å
1004L70.9Confident65.8Low61 Ų6199 Ų9932%0.31949%0.486SS..Hα-helixtrans-72.9-34.6-179.6-152.488.9000112.6L983 V1000 C1001 Q1002 Q1006 Q1007 R1008L983-L1004 HydrophobicContact CD1-CD2 3.52Å; L983-L1004 HydrophobicContact CD2-CD2 3.33Å; L983-L1004 HydrophobicContact CG-CD2 4.04Å; V1000-L1004 WeakPolarHBondContact O-CB 3.45Å; V1000-L1004 PolarHBondContact O-N 3.09Å; C1001-L1004 PolarHBondContact O-N 2.9Å; Q1002-L1004 PolarHBondContact O-N 3.18Å; L1004-Q1006 VanDerWaalsContact C-N 3.35Å; L1004-Q1007 WeakPolarHBondContact O-CB 3.35Å; L1004-Q1007 PolarHBondContact O-N 3.38Å; L1004-R1008 PolarHBondContact O-N 3.42Å
1005Q68.4Low65.3Low124 Ų12499 Ų9958%0.57948%0.48SS*.Hα-helixtrans-68.6-35.7174.8-166.1164.217.900111.5C1001 Q1002 R1008 Q1009C1001-Q1005 VanDerWaalsContact O-CB 3.29Å; C1001-Q1005 WeakPolarHBondContact O-CB 3.47Å; C1001-Q1005 PolarHBondContact O-N 3.05Å; Q1002-Q1005 PolarHBondContact O-N 3.39Å; Q1005-R1008 PolarHBondContact O-N 2.92Å; Q1005-Q1009 WeakPolarHBondContact O-CG 3.29Å; Q1005-Q1009 PolarHBondContact O-N 2.98Å
1006Q71.4Confident64.8Low92 Ų9297.1 Ų97.143%0.4348%0.479SS..Hα-helixtrans-66.2-36.8170-170.2179.1102.600112Q1002 M1003 L1004 Q1009 R1010Q1002-Q1006 WeakPolarHBondContact O-CB 3.34Å; Q1002-Q1006 PolarHBondContact O-N 3.2Å; M1003-Q1006 PolarHBondContact O-N 3.38Å; L1004-Q1006 VanDerWaalsContact C-N 3.35Å; Q1006-Q1009 PolarHBondContact O-N 2.99Å; Q1006-R1010 WeakPolarHBondContact O-CG 3.49Å; Q1006-R1010 PolarHBondContact O-N 3.48Å; Q1006-R1010 VanDerWaalsContact O-N 3.12Å; Q1006-R1010 VanDerWaalsContact OE1-CZ 3.24Å
1007Q68.6Low64.2Low78 Ų7898.3 Ų98.336%0.36449%0.488SS..Hα-helixtrans-63.4-45.3171.3-169.8-177.1-71.600111.3M1003 L1004 Q1009 R1010 E1011M1003-Q1007 PolarHBondContact O-N 3.23Å; L1004-Q1007 WeakPolarHBondContact O-CB 3.35Å; L1004-Q1007 PolarHBondContact O-N 3.38Å; Q1007-Q1009 VanDerWaalsContact C-N 3.32Å; Q1007-Q1009 PolarHBondContact O-N 3.19Å; Q1007-R1010 PolarHBondContact O-N 3.02Å; Q1007-R1010 VanDerWaalsContact O-N 3.12Å; Q1007-E1011 PolarHBondContact NE2-OE1 3.43Å; Q1007-E1011 PolarHBondContact O-N 3.48Å
1008R60.6Low63.4Low85 Ų8599.1 Ų99.132%0.32150%0.498SS..Hα-helixtrans-58.5-42.2177-165.7-166.3-62.8-152.31.4111.9L1004 Q1005 E1011 L1012L1004-R1008 PolarHBondContact O-N 3.42Å; Q1005-R1008 PolarHBondContact O-N 2.92Å; R1008-E1011 PolarHBondContact O-N 2.86Å; R1008-L1012 HydrophobicContact CG-CD1 4.31Å; R1008-L1012 WeakPolarHBondContact O-CB 3.38Å; R1008-L1012 WeakPolarHBondContact O-CG 3.38Å; R1008-L1012 PolarHBondContact O-N 3.32Å
1009Q64.1Low62.3Low125 Ų12599.8 Ų99.858%0.58451%0.51SS*.Hα-helixtrans-63.2-40.1175.5-76.2178.2-21.700112.5Q1005 Q1006 Q1007 Q1013Q1005-Q1009 WeakPolarHBondContact O-CG 3.29Å; Q1005-Q1009 PolarHBondContact O-N 2.98Å; Q1006-Q1009 PolarHBondContact O-N 2.99Å; Q1007-Q1009 VanDerWaalsContact C-N 3.32Å; Q1007-Q1009 PolarHBondContact O-N 3.19Å; Q1009-Q1013 PolarHBondContact O-N 2.88Å
1010R62.3Low60.6Low146 Ų14699.2 Ų99.255%0.55152%0.515SS*.Hα-helixtrans-67.4-40.1175.2-72.3177.5179.61408.2112.6Q1006 Q1007 Q1013 R1014Q1006-R1010 WeakPolarHBondContact O-CG 3.49Å; Q1006-R1010 PolarHBondContact O-N 3.48Å; Q1006-R1010 VanDerWaalsContact O-N 3.12Å; Q1006-R1010 VanDerWaalsContact OE1-CZ 3.24Å; Q1007-R1010 PolarHBondContact O-N 3.02Å; Q1007-R1010 VanDerWaalsContact O-N 3.12Å; R1010-Q1013 PolarHBondContact O-N 3.38Å; R1010-R1014 WeakPolarHBondContact O-CG 3.39Å; R1010-R1014 PolarHBondContact O-N 3.43Å
1011E60.5Low58.8Low75 Ų75103.9 Ų103.935%0.3554%0.537SS..Hα-helixtrans-69.1-37.3177.4-76169.6171.900111.3K444 Q1007 R1008 R1014 L1015K444-E1011 IonicContact NZ-OE1 3.84Å; K444-E1011 PolarHBondContact NZ-OE1 2.89Å; Q1007-E1011 PolarHBondContact NE2-OE1 3.43Å; Q1007-E1011 PolarHBondContact O-N 3.48Å; R1008-E1011 PolarHBondContact O-N 2.86Å; E1011-R1014 PolarHBondContact O-N 3.48Å; E1011-L1015 WeakPolarHBondContact O-CG 3.37Å; E1011-L1015 PolarHBondContact O-N 2.94Å; E1011-L1015 VanDerWaalsContact O-N 3.1Å
1012L60.3Low57.3Low99 Ų99109.3 Ų109.352%0.51856%0.563SS.*Hα-helixtrans-62.8-46.3169.9-75.4167.2000112.7R1008 R1014 L1015 T1016R1008-L1012 HydrophobicContact CG-CD1 4.31Å; R1008-L1012 WeakPolarHBondContact O-CB 3.38Å; R1008-L1012 WeakPolarHBondContact O-CG 3.38Å; R1008-L1012 PolarHBondContact O-N 3.32Å; L1012-R1014 VanDerWaalsContact C-N 3.29Å; L1012-R1014 PolarHBondContact O-N 2.93Å; L1012-L1015 PolarHBondContact O-N 3.42Å; L1012-T1016 PolarHBondContact O-N 3.48Å; L1012-T1016 VanDerWaalsContact O-N 3.08Å; L1012-T1016 PolarHBondContact O-OG1 3.38Å
1013Q57.3Low55.3Low134 Ų134107.8 Ų107.863%0.62657%0.568SS**Hα-helixtrans-59.9-37.5175.3-83.7-174.5-28.600112.8Q1009 R1010 T1016 L1017Q1009-Q1013 PolarHBondContact O-N 2.88Å; R1010-Q1013 PolarHBondContact O-N 3.38Å; Q1013-T1016 PolarHBondContact O-N 2.87Å; Q1013-L1017 PolarHBondContact O-N 2.9Å; Q1013-L1017 VanDerWaalsContact O-N 3.11Å
1014R56Low53.4Low122 Ų122108.6 Ų108.646%0.4658%0.58SS.*Hα-helixtrans-62.5-43.9174.5-77.3-174.263.689.111.6112R1010 E1011 L1012 L1017 T1018R1010-R1014 WeakPolarHBondContact O-CG 3.39Å; R1010-R1014 PolarHBondContact O-N 3.43Å; E1011-R1014 PolarHBondContact O-N 3.48Å; L1012-R1014 VanDerWaalsContact C-N 3.29Å; L1012-R1014 PolarHBondContact O-N 2.93Å; R1014-L1017 PolarHBondContact O-N 3.09Å; R1014-T1018 PolarHBondContact O-N 3.01Å; R1014-T1018 PolarHBondContact O-OG1 2.9Å; R1014-T1018 VanDerWaalsContact O-OG1 3.08Å
1015L51.7Low52.1Low106 Ų106111.2 Ų111.256%0.55560%0.6SS**Hα-helixtrans-62.7-42.2178.8-71.4165.8000111.9E1011 L1012 L1017 T1018E1011-L1015 WeakPolarHBondContact O-CG 3.37Å; E1011-L1015 PolarHBondContact O-N 2.94Å; E1011-L1015 VanDerWaalsContact O-N 3.1Å; L1012-L1015 PolarHBondContact O-N 3.42Å; L1015-L1017 VanDerWaalsContact C-N 3.34Å; L1015-L1017 PolarHBondContact O-N 2.92Å; L1015-T1018 WeakPolarHBondContact CA-OG1 3.35Å; L1015-T1018 PolarHBondContact O-N 3.47Å; L1015-T1018 PolarHBondContact O-OG1 3.48Å
1016T54Low50.2Low114 Ų114113 Ų11370%0.69961%0.614SS**Hα-helixtrans-63.3-38.7175.2-46.50000112.2L1012 Q1013L1012-T1016 PolarHBondContact O-N 3.48Å; L1012-T1016 VanDerWaalsContact O-N 3.08Å; L1012-T1016 PolarHBondContact O-OG1 3.38Å; Q1013-T1016 PolarHBondContact O-N 2.87Å
1017L49.4Very low48.2Very low126 Ų126113.5 Ų113.566%0.6663%0.627SS**Hα-helixtrans-71.7-33.6179.3-80.9164.2000113.5Q1013 R1014 L1015 G1019 A1020Q1013-L1017 PolarHBondContact O-N 2.9Å; Q1013-L1017 VanDerWaalsContact O-N 3.11Å; R1014-L1017 PolarHBondContact O-N 3.09Å; L1015-L1017 VanDerWaalsContact C-N 3.34Å; L1015-L1017 PolarHBondContact O-N 2.92Å; L1017-G1019 VanDerWaalsContact C-N 3.26Å; L1017-G1019 PolarHBondContact O-N 2.93Å; L1017-A1020 PolarHBondContact O-N 3.31Å
1018T46.4Very low46.5Very low91 Ų91115.5 Ų115.556%0.55865%0.647SS**Hα-helixtrans-68.8-19.6178.337.10000114.4R1014 L1015 A1020R1014-T1018 PolarHBondContact O-N 3.01Å; R1014-T1018 PolarHBondContact O-OG1 2.9Å; R1014-T1018 VanDerWaalsContact O-OG1 3.08Å; L1015-T1018 WeakPolarHBondContact CA-OG1 3.35Å; L1015-T1018 PolarHBondContact O-N 3.47Å; L1015-T1018 PolarHBondContact O-OG1 3.48Å; T1018-A1020 VanDerWaalsContact C-N 3.26Å; T1018-A1020 PolarHBondContact O-N 3.38Å
1019G44.8Very low45Very low71 Ų71119.4 Ų119.473%0.73267%0.673SS**THydrogen-bonded Turntrans-74-10.6177.700000115.2L1017L1017-G1019 VanDerWaalsContact C-N 3.26Å; L1017-G1019 PolarHBondContact O-N 2.93Å
1020A40.4Very low43.2Very low73 Ų73121.4 Ų121.460%0.60369%0.686SS**THydrogen-bonded Turntrans-104.61.1-165.700000115.7L1017 T1018L1017-A1020 PolarHBondContact O-N 3.31Å; T1018-A1020 VanDerWaalsContact C-N 3.26Å; T1018-A1020 PolarHBondContact O-N 3.38Å
1021L35Very low41.5Very low145 Ų145118.7 Ų118.776%0.75969%0.69SS**SBendtrans-117.1-1.8-168-63.9177.7000115.8S1023L1021-S1023 PolarHBondContact O-N 3Å
1022N37Very low39.9Very low164 Ų164123.3 Ų123.388%0.87771%0.712SS**  trans-98.258.6-179.7-82.322.2000113.2
1023S32.5Very low38.3Very low108 Ų108123.4 Ų123.476%0.75572%0.721SS**  trans-152.4113166.350.50000112.7L1021L1021-S1023 PolarHBondContact O-N 3Å
1024T30Very low37.5Very low142 Ų142121.5 Ų121.587%0.87172%0.72SS**  trans-114.7139.3173.546.10000110.8
1025P44.1Very low36.1Very low116 Ų116122.1 Ų122.175%0.75373%0.732SS**  trans-98.8146.9-166.737.1-35.8000115
1026N27.9Very low34.9Very low161 Ų161123.1 Ų123.186%0.86174%0.738SS**  trans171.7134154.7-91.8-28.4000107.4
1027S29.5Very low33.7Very low102 Ų102124.8 Ų124.871%0.71374%0.741SS**  cis-136.5-140.93.2-57.40000112
1028P32.4Very low32.5Very low121 Ų121123.1 Ų123.179%0.78674%0.74SS**  trans-82161.7-133.339.1-39000116.6
1029L28.4Very low31.5Very low166 Ų166124.2 Ų124.287%0.86975%0.751SS**  trans-63.2127.6166.3-80.5158.3000112.3
1030I28.1Very low30.6Very low167 Ų167125.1 Ų125.186%0.85675%0.752SS**  trans-117.2137.3144.2-65.6180000106.3
1031S25.5Very low29.9Very low89 Ų89127.9 Ų127.962%0.62276%0.761SS**  trans-102.7167-171.661.30000112.8
1032Q27.5Very low29.5Very low173 Ų173125.8 Ų125.881%0.80877%0.765SS**  trans8290.8166.3-55.1179.233.200118
1033S27.2Very low29Very low101 Ų101123.3 Ų123.371%0.70676%0.761SS**  9.2163.3105.765.40000119.7
1034P40.4Very low29.7Very low94 Ų94123.3 Ų123.361%0.6176%0.758SS**  cis-141-165.8-34.938.2-19.7000112.1
1035N25Very low29.5Very low135 Ų135124.2 Ų124.272%0.72276%0.757SS**  trans69.4155.9154-66.3-6.3000117.8
1036L28.3Very low28.7Very low127 Ų127128.5 Ų128.567%0.66577%0.767SS**  cis-165.1150.6-19.2-110.3172.4000108.7
1037L27.1Very low28.6Very low149 Ų149124 Ų12478%0.7876%0.758SS**  trans63.7169.9157-57.9164000117.2
1038S24.8Very low28.5Very low91 Ų91124.4 Ų124.464%0.63676%0.761SS**  cis-164.9154.4-45.6-95.20000111.5
1039S26.3Very low28.3Very low113 Ų113127.6 Ų127.679%0.7977%0.766SS**  trans43.7106.8144.6-53.50000122.1
1040A25.8Very low28.2Very low90 Ų90125 Ų12574%0.74477%0.768SS**  trans-158109.9138.100000107.8
1041T25.7Very low28.1Very low131 Ų131120.5 Ų120.580%0.80476%0.763SS**  74.713463.564.60000115.9
1042A26.3Very low28.4Very low101 Ų101120.2 Ų120.284%0.83577%0.774SS**  trans82.7113.7163.400000119.9
1043S27Very low28.3Very low112 Ų112119.8 Ų119.878%0.78378%0.776SS**  trans-74.7-170.1155.4-13.20000111.1
1044P46.3Very low28.2Very low108 Ų108124 Ų12470%0.70178%0.782SS**  cis-136-159.5-21.233.4-11.1000112.3
1045L25.1Very low27.4Very low162 Ų162122.3 Ų122.385%0.84878%0.782SS**  trans67.5114.7154.5-68.2168.6000119.9
1046Q27.4Very low27.4Very low205 Ų205123.2 Ų123.296%0.95879%0.786SS**  -147.2155.7121.4-116.8176.636.400110.9
1047G26.1Very low27.2Very low66 Ų66124.3 Ų124.368%0.6879%0.788SS**  trans-159.2-160.2-178.100000110.5
1048S27.3Very low27.1Very low111 Ų111122.5 Ų122.578%0.77678%0.779SS**  trans78.5108.9-163.4-157.90000111.3
1049Q28Very low27.2Very low189 Ų189123.7 Ų123.788%0.88378%0.778SS**  66.5105.567.2-68.2-166.15.900114.9
1050A27.1Very low27.2Very low111 Ų111124 Ų12492%0.91778%0.775SS**  trans-160.2152.1133.600000106.2
1051G26.2Very low27.2Very low72 Ų72126.7 Ų126.774%0.74278%0.776SS**  cis164.8113.5-3.300000107.3
1052G31.2Very low27.3Very low84 Ų84128.4 Ų128.487%0.86678%0.775SS**  trans-76.1141.4-172.900000113.1
1053L25.7Very low27.6Very low163 Ų163132.8 Ų132.885%0.85378%0.775SS**  trans-139154.1170.5-92171.6000111.7
1054F24.3Very low28.3Very low189 Ų189133.5 Ų133.583%0.82978%0.777SS**  trans-49.3154.4174.4-63-109.4000112.2
1055G23.7Very low27.4Very low59 Ų59131.2 Ų131.261%0.60877%0.773SS**  cis108.4162.320.600000110.5
1056L24.9Very low27.7Very low155 Ų155130.4 Ų130.481%0.81278%0.775SS**  trans69.7156-168.4-47.9-179.6000111.9
1057Q24.8Very low28Very low149 Ų149125.5 Ų125.570%0.69677%0.769SS**  cis-179.1156.8-14.9-179.4150.524.100103.9
1058D25.4Very low28.3Very low111 Ų111125.9 Ų125.959%0.59477%0.773SS**  cis-166.5176.434.8-150.82.6000114.3
1059N26.6Very low28.6Very low117 Ų117128.6 Ų128.663%0.62677%0.773SS**  trans33.1122150.6-78.5-47.7000121.2
1060V25.7Very low29.2Very low120 Ų120128.6 Ų128.673%0.72777%0.771SS**  92118.552.1164.60000114.3
1061L27.1Very low29.8Very low145 Ų145127.8 Ų127.876%0.75976%0.764SS**  trans160.5147155.8-107.153.8000106.7
1062H28Very low30.4Very low167 Ų167128 Ų12877%0.77377%0.767SS**  cis-150151.25.2-127.6-58.8000111
1063K30.7Very low30.7Very low193 Ų193131.7 Ų131.784%0.83977%0.766SS**  trans-102.5159.6149.8-106.2-178.7178.4178.70107.4
1064P43.2Very low31.3Very low128 Ų128132.7 Ų132.783%0.83176%0.764SS**  -153.1-163.950.842.6-20.2000116.7
1065G26.7Very low32Very low59 Ų59131.3 Ų131.361%0.60877%0.765SS**  trans114.3131.617100000112.9
1066T32Very low32.6Very low146 Ų146135.7 Ų135.790%0.89681%0.811SS**  cis72.9130.332.473.10000116
1067A32.3Very low33Very low101 Ų101134.8 Ų134.884%0.83581%0.811SS**  cis-170.9142.9-20.900000110.4
1068G33.1Very low33.4Very low74 Ų74134 Ų13476%0.76382%0.817SS**  trans97.7146.9158.400000119.9
1069E34.6Very low33.8Very low168 Ų168135.3 Ų135.379%0.78583%0.829SS**  trans61.8119.4159.8-56.6-144.489.500119.1
1070K40.6Very low34.3Very low189 Ų189136.4 Ų136.482%0.82284%0.841SS**  66.3138.986-76.3-174.2-179.2166.60115.7
1071A38.3Very low34.8Very low95 Ų95137.4 Ų137.479%0.78585%0.848SS**  cis-166.7156.6-10.100000112.4
1072G38.6Very low35.3Very low77 Ų77136.9 Ų136.979%0.79485%0.854SS**  trans74.7157.4158.500000118.4
1073D38.7Very low35.8Very low161 Ų161134.7 Ų134.786%0.86186%0.86SS**  cis-161.5136.7-18.7-152.7-26.1000109
1074K39Very low36.2Very low183 Ų183130.2 Ų130.280%0.79686%0.861SS**  trans-179.4143.5-179.6-117.7171.9-174.9175.10115.6
1075N37.3Very low35.6Very low160 Ų160130.4 Ų130.486%0.85686%0.864SS**  trans62.5150.5165.4-61.711.4000116.4
1076G36.6Very low36.5Very low152 Ų152136.9 Ų136.9100%1.56789%0.887SS**  cis176.60-4.300000111.6

Retrieved 1,076 of 1,076 residues in 194.5 ms (Link to these results)

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