Q26586_SCHMA Loading...

Vesicle-associated membrane protein 7

AlphaFold DB , UniProt , Accession Q26586, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene IMP25, Length 223 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
1M81.5Confident91.9Very high112 Ų11230.6 Ų30.655%0.55214%0.144SC*.  0118.50-173.7-177.1-165.500107.3L3 F20 E112 M115M1-L3 HydrophobicContact CE-CB 4.2Å; M1-L3 HydrophobicContact CE-CD2 4.32Å; M1-L3 HydrophobicContact CG-CB 4.4Å; M1-F20 HydrophobicContact CE-CD1 3.78Å; M1-F20 HydrophobicContact CE-CE1 3.54Å; M1-F20 HydrophobicContact CE-CE2 4.38Å; M1-F20 HydrophobicContact CE-CG 4.28Å; M1-F20 HydrophobicContact CE-CZ 3.86Å; M1-F20 HydrophobicContact SD-CB 4.37Å; M1-F20 HydrophobicContact SD-CD1 3.51Å; M1-F20 VanDerWaalsContact SD-CD1 3.51Å; M1-F20 HydrophobicContact SD-CE1 3.91Å; M1-F20 HydrophobicContact SD-CG 3.95Å; M1-E112 HydrophobicContact CE-CG 4.2Å; M1-M115 HydrophobicContact CE-CE 4.38Å; M1-M115 HydrophobicContact CE-SD 3.74Å
2D90.6Very high91.2Very high68 Ų6833.5 Ų33.536%0.36416%0.155SC..  trans-81.9-20.4-172.1-46.9-26.6000112.7R4 T65 D66 A69 F74D2-R4 PolarHBondContact O-N 3.46Å; D2-T65 CarbonylContact O-C 3.6Å; D2-T65 WeakPolarHBondContact O-CA 3.25Å; D2-D66 HydrophobicContact CB-CB 4.46Å; D2-D66 PolarHBondContact O-N 3.42Å; D2-A69 HydrophobicContact CB-CB 3.64Å; D2-F74 HydrophobicContact CB-CE2 4.1Å; D2-F74 HydrophobicContact CB-CZ 3.93Å
3L92.8Very high90.9Very high0 Ų036.7 Ų36.70%017%0.17CC..EExtended strand (participates in β ladder)trans-70.1122.6171.5-172.460.8000109M1 F20 A63 T65 F74 L77 L111 M115M1-L3 HydrophobicContact CE-CB 4.2Å; M1-L3 HydrophobicContact CE-CD2 4.32Å; M1-L3 HydrophobicContact CG-CB 4.4Å; L3-F20 HydrophobicContact CB-CD2 4.42Å; L3-F20 HydrophobicContact CD2-CD2 4.04Å; L3-F20 HydrophobicContact CD2-CE2 3.44Å; L3-F20 VanDerWaalsContact CD2-CE2 3.44Å; L3-F20 HydrophobicContact CD2-CZ 4.04Å; L3-F20 HydrophobicContact CG-CD2 3.87Å; L3-F20 HydrophobicContact CG-CE2 3.81Å; L3-F20 WeakPolarHBondContact O-CB 3.33Å; L3-A63 HydrophobicContact CD1-CB 3.89Å; L3-T65 HydrophobicContact CD1-CG2 4.04Å; L3-F74 HydrophobicContact CB-CE1 3.86Å; L3-F74 HydrophobicContact CB-CZ 4.48Å; L3-F74 HydrophobicContact CD1-CD1 4.23Å; L3-F74 HydrophobicContact CD1-CE1 4.2Å; L3-L77 HydrophobicContact CD1-CD2 4.5Å; L3-L77 HydrophobicContact CD2-CD2 4.01Å; L3-L111 HydrophobicContact CD2-CD1 4.25Å; L3-M115 HydrophobicContact CB-CE 4.31Å; L3-M115 HydrophobicContact CB-SD 4.15Å; L3-M115 HydrophobicContact CD2-SD 3.72Å
4R93.4Very high91.1Very high75 Ų7534.3 Ų34.328%0.28316%0.159SC..EExtended strand (participates in β ladder)trans-102.1-36.9180-55.4-48.6-162.7168.3-3.7112D2 F20 T21 F25 F49 V64 D66D2-R4 PolarHBondContact O-N 3.46Å; R4-F20 PolarHBondContact O-N 3.37Å; R4-T21 HydrophobicContact CB-CG2 4.09Å; R4-T21 HydrophobicContact CG-CG2 4.38Å; R4-F25 HydrophobicContact CB-CE2 3.68Å; R4-F25 HydrophobicContact CB-CZ 3.73Å; R4-F25 HydrophobicContact CG-CZ 4.34Å; R4-F49 HydrophobicContact CG-CD1 4.3Å; R4-F49 HydrophobicContact CG-CE1 4.32Å; R4-V64 PolarHBondContact N-O 3.44Å; R4-D66 IonicContact CZ-OD1 3.51Å; R4-D66 IonicContact CZ-OD2 3.39Å; R4-D66 VanDerWaalsContact CZ-OD2 3.22Å; R4-D66 VanDerWaalsContact NE-CG 3.27Å; R4-D66 IonicContact NE-OD1 3.68Å; R4-D66 PolarHBondContact NE-OD1 2.93Å; R4-D66 IonicContact NE-OD2 3.91Å; R4-D66 PolarHBondContact NE-OD2 2.77Å; R4-D66 IonicContact NH2-OD1 3.54Å; R4-D66 PolarHBondContact NH2-OD1 3.31Å; R4-D66 IonicContact NH2-OD2 2.69Å; R4-D66 PolarHBondContact NH2-OD2 3.49Å
5Y95Very high91.2Very high6 Ų632 Ų322%0.02415%0.149CC..EExtended strand (participates in β ladder)trans-155.8144.9-177.4-168.7-105.8000110.2A7 Y17 R18 F25 V29 V64Y5-A7 HydrophobicContact CD1-CB 4.27Å; Y5-A7 HydrophobicContact CE1-CB 3.69Å; Y5-Y17 HydrophobicContact CD2-CD2 4.46Å; Y5-Y17 AromaticContact CE2-CD2 3.39Å; Y5-Y17 HydrophobicContact CE2-CD2 3.39Å; Y5-Y17 HydrophobicContact CE2-CE2 4.14Å; Y5-Y17 AromaticContact CE2-CG 3.96Å; Y5-Y17 HydrophobicContact CE2-CG 3.96Å; Y5-Y17 AromaticContact CZ-CD2 3.69Å; Y5-Y17 AromaticContact CZ-CG 3.75Å; Y5-Y17 WeakPolarHBondContact OH-CB 3.35Å; Y5-Y17 WeakPolarHBondContact OH-CD2 3.33Å; Y5-R18 WeakPolarHBondContact CA-O 3.34Å; Y5-F25 HydrophobicContact CD1-CB 3.71Å; Y5-F25 HydrophobicContact CD2-CB 4.14Å; Y5-F25 HydrophobicContact CD2-CD2 4.28Å; Y5-F25 HydrophobicContact CE1-CB 4.21Å; Y5-F25 HydrophobicContact CG-CB 3.66Å; Y5-F25 HydrophobicContact CG-CD2 4.1Å; Y5-F25 HydrophobicContact CG-CG 4.22Å; Y5-V29 HydrophobicContact CD1-CG2 4.16Å; Y5-V29 HydrophobicContact CE1-CG2 3.88Å; Y5-V64 HydrophobicContact CD1-CG2 4.31Å; Y5-V64 PolarHBondContact N-O 2.87Å; Y5-V64 PolarHBondContact O-N 3.21Å
6F95.9Very high91.4Very high0 Ų030.6 Ų30.60%014%0.141CC..EExtended strand (participates in β ladder)trans-131.8133.7168.7-163.4-74.3000109I8 W16 Y17 R18 F61 I62 A63 L77 V78 V81 L111F6-I8 HydrophobicContact CD1-CG1 4.42Å; F6-I8 HydrophobicContact CE1-CG1 3.97Å; F6-W16 AromaticContact CD1-CZ3 3.87Å; F6-W16 HydrophobicContact CD1-CZ3 3.87Å; F6-Y17 CarbonylContact O-C 3.33Å; F6-Y17 WeakPolarHBondContact O-CA 3.49Å; F6-Y17 WeakPolarHBondContact O-CB 3.35Å; F6-R18 PolarHBondContact N-O 3.43Å; F6-R18 PolarHBondContact O-N 3.28Å; F6-F61 HydrophobicContact CZ-CB 4.31Å; F6-I62 CarbonylContact C-O 3.59Å; F6-I62 VanDerWaalsContact CA-O 3.31Å; F6-I62 WeakPolarHBondContact CA-O 3.31Å; F6-A63 HydrophobicContact CD2-CB 3.7Å; F6-A63 HydrophobicContact CE2-CB 3.94Å; F6-L77 HydrophobicContact CD2-CD2 4.32Å; F6-L77 HydrophobicContact CE2-CD2 4.37Å; F6-L77 HydrophobicContact CE2-CG 4.32Å; F6-V78 HydrophobicContact CE2-CG2 3.86Å; F6-V78 HydrophobicContact CZ-CG2 4.32Å; F6-V81 HydrophobicContact CE1-CB 4.28Å; F6-V81 HydrophobicContact CE1-CG1 3.66Å; F6-V81 HydrophobicContact CE2-CB 4.44Å; F6-V81 HydrophobicContact CE2-CG2 4.19Å; F6-V81 HydrophobicContact CZ-CB 3.71Å; F6-V81 HydrophobicContact CZ-CG1 3.63Å; F6-V81 HydrophobicContact CZ-CG2 3.9Å; F6-L111 HydrophobicContact CB-CD1 3.69Å; F6-L111 HydrophobicContact CD2-CD2 4.07Å; F6-L111 HydrophobicContact CE2-CD2 4.43Å; F6-L111 HydrophobicContact CG-CD1 4.14Å; F6-L111 HydrophobicContact CG-CD2 4.14Å
7A96.4Very high91.6Very high0 Ų033.3 Ų33.30%015%0.151CC..EExtended strand (participates in β ladder)trans-130145.4177.200000111.8Y5 T9 I14 W16 V29 I62Y5-A7 HydrophobicContact CD1-CB 4.27Å; Y5-A7 HydrophobicContact CE1-CB 3.69Å; A7-T9 HydrophobicContact CB-CG2 4.17Å; A7-I14 HydrophobicContact CB-CG2 4.23Å; A7-W16 WeakPolarHBondContact CA-O 3.44Å; A7-V29 HydrophobicContact CB-CG1 4.18Å; A7-V29 HydrophobicContact CB-CG2 4.11Å; A7-I62 PolarHBondContact N-O 3.45Å; A7-I62 PolarHBondContact O-N 2.93Å
8I95.6Very high91.7Very high0 Ų036.4 Ų36.40%016%0.161CC..EExtended strand (participates in β ladder)trans-114.3129.8164.1-53.6175.9000106F6 V15 W16 S60 F61 V81 F85 Y107F6-I8 HydrophobicContact CD1-CG1 4.42Å; F6-I8 HydrophobicContact CE1-CG1 3.97Å; I8-V15 HydrophobicContact CB-CG2 4.2Å; I8-V15 HydrophobicContact CG2-CG2 3.94Å; I8-V15 WeakPolarHBondContact O-CG2 3.28Å; I8-V15 PolarHBondContact O-N 3.48Å; I8-W16 HydrophobicContact CB-CB 4.33Å; I8-W16 HydrophobicContact CD1-CD2 4.48Å; I8-W16 HydrophobicContact CD1-CE3 3.96Å; I8-W16 HydrophobicContact CG1-CE3 3.95Å; I8-W16 PolarHBondContact N-O 2.88Å; I8-W16 PolarHBondContact O-N 3.28Å; I8-S60 WeakPolarHBondContact CA-O 3.19Å; I8-F61 HydrophobicContact CB-CD1 4.48Å; I8-F61 HydrophobicContact CB-CE1 4.49Å; I8-F61 HydrophobicContact CD1-CD1 4.12Å; I8-F61 HydrophobicContact CD1-CE1 3.91Å; I8-F61 HydrophobicContact CG1-CD1 3.79Å; I8-F61 HydrophobicContact CG1-CE1 3.97Å; I8-F61 HydrophobicContact CG2-CD1 4.13Å; I8-F61 HydrophobicContact CG2-CE1 3.77Å; I8-F61 HydrophobicContact CG2-CZ 4.27Å; I8-V81 HydrophobicContact CD1-CG1 4.22Å; I8-F85 HydrophobicContact CD1-CD2 3.41Å; I8-F85 VanDerWaalsContact CD1-CD2 3.41Å; I8-F85 HydrophobicContact CD1-CE2 3.61Å; I8-F85 HydrophobicContact CD1-CG 4.14Å; I8-F85 HydrophobicContact CD1-CZ 4.49Å; I8-F85 HydrophobicContact CG2-CD2 4.48Å; I8-F85 HydrophobicContact CG2-CE1 4.23Å; I8-F85 HydrophobicContact CG2-CE2 4.08Å; I8-F85 HydrophobicContact CG2-CZ 3.92Å; I8-Y107 HydrophobicContact CD1-CD1 4.15Å; I8-Y107 HydrophobicContact CD1-CE1 3.61Å
9T94.4Very high91.7Very high0 Ų037 Ų370%017%0.17CC..EExtended strand (participates in β ladder)trans-132.7150.2-171.462.90000109.6A7 H13 I14 V29 L33 L59 S60 I62A7-T9 HydrophobicContact CB-CG2 4.17Å; T9-H13 CarbonylContact C-O 3.31Å; T9-H13 VanDerWaalsContact CA-O 3.24Å; T9-H13 WeakPolarHBondContact CA-O 3.36Å; T9-I14 HydrophobicContact CG2-CB 4.44Å; T9-I14 HydrophobicContact CG2-CG1 4.01Å; T9-V29 HydrophobicContact CG2-CG1 3.55Å; T9-L33 HydrophobicContact CG2-CD1 4.17Å; T9-L59 CarbonylContact O-C 3.51Å; T9-L59 WeakPolarHBondContact O-CA 3.33Å; T9-S60 PolarHBondContact N-O 3.19Å; T9-S60 PolarHBondContact O-N 3.14Å; T9-S60 WeakPolarHBondContact OG1-CB 3.21Å; T9-S60 PolarHBondContact OG1-N 3.46Å; T9-S60 PolarHBondContact OG1-O 3.26Å; T9-I62 HydrophobicContact CG2-CD1 4.19Å
10N90.6Very high91.6Very high8 Ų837.9 Ų37.94%0.04317%0.173CC..EExtended strand (participates in β ladder)trans-94.3-169.4156.566.429000109.1K12 H13 V15 L59 A95 G98N10-K12 PolarHBondContact O-N 3.31Å; N10-K12 PolarHBondContact OD1-N 2.9Å; N10-H13 PolarHBondContact N-O 3.22Å; N10-H13 PolarHBondContact OD1-N 3.16Å; N10-H13 PolarHBondContact OD1-O 2.84Å; N10-V15 HydrophobicContact CB-CG1 4.37Å; N10-L59 HydrophobicContact CB-CD2 3.74Å; N10-A95 WeakPolarHBondContact CB-O 3.4Å; N10-A95 PolarHBondContact ND2-O 2.77Å; N10-G98 PolarHBondContact ND2-O 3.3Å
11E84.6Confident91.5Very high68 Ų6838 Ų3832%0.31818%0.177SC..SBendtrans-62.1-13.3-178.2-63.2175.3-162.400114.3G58 K96 K161E11-G58 PolarHBondContact N-O 3.43Å; E11-K96 IonicContact OE1-NZ 3.21Å; E11-K96 PolarHBondContact OE1-NZ 3.4Å; E11-K161 IonicContact OE2-NZ 2.71Å; E11-K161 PolarHBondContact OE2-NZ 3.12Å
12K83.3Confident91.6Very high65 Ų6543.3 Ų43.328%0.28320%0.197SC..SBendtrans-130.3-30.6-172-58.4-176.7-168.6-179.20114.3N10 E164N10-K12 PolarHBondContact O-N 3.31Å; N10-K12 PolarHBondContact OD1-N 2.9Å; K12-E164 WeakPolarHBondContact CE-OE2 3.41Å; K12-E164 IonicContact NZ-OE1 2.75Å; K12-E164 PolarHBondContact NZ-OE1 3.24Å; K12-E164 IonicContact NZ-OE2 2.72Å; K12-E164 PolarHBondContact NZ-OE2 3.24Å
13H87.9Confident91.3Very high75 Ų7546.9 Ų46.935%0.34721%0.206SC..  trans-136145-166-58.5-51.1000111.6T9 N10 V15T9-H13 CarbonylContact C-O 3.31Å; T9-H13 VanDerWaalsContact CA-O 3.24Å; T9-H13 WeakPolarHBondContact CA-O 3.36Å; N10-H13 PolarHBondContact N-O 3.22Å; N10-H13 PolarHBondContact OD1-N 3.16Å; N10-H13 PolarHBondContact OD1-O 2.84Å; H13-V15 PolarHBondContact O-N 3.32Å
14I93.4Very high91.1Very high3 Ų350.4 Ų50.42%0.01523%0.23CC..EExtended strand (participates in β ladder)trans-72111.9161.1-55.1-179.2000107A7 T9 Y17 E26 V29 K100 D101A7-I14 HydrophobicContact CB-CG2 4.23Å; T9-I14 HydrophobicContact CG2-CB 4.44Å; T9-I14 HydrophobicContact CG2-CG1 4.01Å; I14-Y17 HydrophobicContact CG2-CD1 3.94Å; I14-Y17 HydrophobicContact CG2-CG 4.35Å; I14-E26 HydrophobicContact CD1-CB 4.17Å; I14-E26 HydrophobicContact CD1-CG 3.76Å; I14-V29 HydrophobicContact CD1-CB 4.11Å; I14-V29 HydrophobicContact CD1-CG1 3.76Å; I14-V29 HydrophobicContact CG1-CG1 3.82Å; I14-K100 CarbonylContact O-C 3.59Å; I14-K100 WeakPolarHBondContact O-CA 3.47Å; I14-D101 PolarHBondContact O-N 3.18Å
15V93.2Very high91Very high0 Ų047 Ų470%022%0.217CC..EExtended strand (participates in β ladder)trans-89.7-25.4-178.4-64.60000111.9I8 N10 H13 A95 D101 C102 L103I8-V15 HydrophobicContact CB-CG2 4.2Å; I8-V15 HydrophobicContact CG2-CG2 3.94Å; I8-V15 WeakPolarHBondContact O-CG2 3.28Å; I8-V15 PolarHBondContact O-N 3.48Å; N10-V15 HydrophobicContact CB-CG1 4.37Å; H13-V15 PolarHBondContact O-N 3.32Å; V15-A95 HydrophobicContact CG2-CB 4.18Å; V15-D101 CarbonylContact O-C 3.54Å; V15-D101 VanDerWaalsContact O-C 3.31Å; V15-D101 WeakPolarHBondContact O-CA 3.47Å; V15-C102 PolarHBondContact O-N 2.78Å; V15-L103 HydrophobicContact CB-CD1 4.47Å; V15-L103 HydrophobicContact CG2-CD1 4.25Å; V15-L103 WeakPolarHBondContact O-CB 3.32Å; V15-L103 PolarHBondContact O-N 3.49Å
16W94.7Very high90.7Very high9 Ų949.1 Ų49.13%0.03423%0.227CC..EExtended strand (participates in β ladder)trans-155.2143.3176.4-178.794.1000109.7F6 A7 I8 R18 L103 Y107 L109 L111F6-W16 AromaticContact CD1-CZ3 3.87Å; F6-W16 HydrophobicContact CD1-CZ3 3.87Å; A7-W16 WeakPolarHBondContact CA-O 3.44Å; I8-W16 HydrophobicContact CB-CB 4.33Å; I8-W16 HydrophobicContact CD1-CD2 4.48Å; I8-W16 HydrophobicContact CD1-CE3 3.96Å; I8-W16 HydrophobicContact CG1-CE3 3.95Å; I8-W16 PolarHBondContact N-O 2.88Å; I8-W16 PolarHBondContact O-N 3.28Å; W16-R18 HydrophobicContact CH2-CB 3.72Å; W16-R18 HydrophobicContact CZ2-CB 4.18Å; W16-R18 HydrophobicContact CZ3-CB 4.23Å; W16-L103 HydrophobicContact CB-CB 4.2Å; W16-Y107 AromaticContact CD1-CD1 3.81Å; W16-Y107 AromaticContact CD2-CD1 3.93Å; W16-Y107 HydrophobicContact CD2-CD1 3.93Å; W16-Y107 HydrophobicContact CD2-CE1 4.42Å; W16-Y107 AromaticContact CE2-CD1 3.86Å; W16-Y107 AromaticContact CG-CD1 3.91Å; W16-Y107 HydrophobicContact CG-CD1 3.91Å; W16-Y107 HydrophobicContact CZ2-CD1 4.48Å; W16-Y107 AromaticContact NE1-CD1 3.76Å; W16-Y107 PolarHBondContact NE1-O 2.96Å; W16-L109 HydrophobicContact CH2-CB 4.06Å; W16-L109 HydrophobicContact CH2-CD2 4.06Å; W16-L109 HydrophobicContact CZ2-CB 3.93Å; W16-L109 HydrophobicContact CZ3-CD2 4.38Å; W16-L111 HydrophobicContact CH2-CD1 3.96Å; W16-L111 HydrophobicContact CH2-CG 4.37Å; W16-L111 HydrophobicContact CZ3-CD1 4.42Å
17Y94.7Very high90.2Very high77 Ų7753.3 Ų53.330%0.30225%0.25SS..EExtended strand (participates in β ladder)trans-150.1162.8170.270.7-88.2000113Y5 F6 I14 D101 Q104Y5-Y17 HydrophobicContact CD2-CD2 4.46Å; Y5-Y17 AromaticContact CE2-CD2 3.39Å; Y5-Y17 HydrophobicContact CE2-CD2 3.39Å; Y5-Y17 HydrophobicContact CE2-CE2 4.14Å; Y5-Y17 AromaticContact CE2-CG 3.96Å; Y5-Y17 HydrophobicContact CE2-CG 3.96Å; Y5-Y17 AromaticContact CZ-CD2 3.69Å; Y5-Y17 AromaticContact CZ-CG 3.75Å; Y5-Y17 WeakPolarHBondContact OH-CB 3.35Å; Y5-Y17 WeakPolarHBondContact OH-CD2 3.33Å; F6-Y17 CarbonylContact O-C 3.33Å; F6-Y17 WeakPolarHBondContact O-CA 3.49Å; F6-Y17 WeakPolarHBondContact O-CB 3.35Å; I14-Y17 HydrophobicContact CG2-CD1 3.94Å; I14-Y17 HydrophobicContact CG2-CG 4.35Å; Y17-D101 WeakPolarHBondContact CE1-OD1 3.38Å; Y17-Q104 PolarHBondContact O-NE2 2.93Å; Y17-Q104 PolarHBondContact O-OE1 3.42Å
18R92.7Very high89.7Confident90 Ų9054.7 Ų54.734%0.3426%0.258SS..EExtended strand (participates in β ladder)trans-136.1127.7167.1-172.9155.9171.4173.8-4109.7Y5 F6 W16 F20 L109 L111 E112Y5-R18 WeakPolarHBondContact CA-O 3.34Å; F6-R18 PolarHBondContact N-O 3.43Å; F6-R18 PolarHBondContact O-N 3.28Å; W16-R18 HydrophobicContact CH2-CB 3.72Å; W16-R18 HydrophobicContact CZ2-CB 4.18Å; W16-R18 HydrophobicContact CZ3-CB 4.23Å; R18-F20 HydrophobicContact CB-CE2 4.41Å; R18-F20 HydrophobicContact CG-CE1 4.31Å; R18-F20 HydrophobicContact CG-CE2 4.01Å; R18-F20 HydrophobicContact CG-CZ 3.8Å; R18-L109 PolarHBondContact NH1-O 2.97Å; R18-L111 HydrophobicContact CB-CD1 4.03Å; R18-L111 HydrophobicContact CG-CD1 4.4Å; R18-E112 IonicContact CZ-OE1 2.67Å; R18-E112 IonicContact CZ-OE2 3.15Å; R18-E112 IonicContact NH1-OE2 2.65Å; R18-E112 IonicContact NH2-OE1 2.99Å; R18-E112 PolarHBondContact NH2-OE1 3.18Å; R18-E112 IonicContact NH2-OE2 2.83Å; R18-E112 PolarHBondContact NH2-OE2 2.79Å
19S91.5Very high89.4Confident47 Ų4754.7 Ų54.733%0.32926%0.258SS..EExtended strand (participates in β ladder)trans-104.3135.9174.5-167.40000110.6T21S19-T21 PolarHBondContact OG-N 3.44Å; S19-T21 PolarHBondContact OG-O 3.34Å
20F90.2Very high89Confident54 Ų5456.8 Ų56.824%0.23727%0.269CS..SBendtrans-106.44.7174.2-60.6-83.2000111.8M1 L3 R4 R18 L111 E112M1-F20 HydrophobicContact CE-CD1 3.78Å; M1-F20 HydrophobicContact CE-CE1 3.54Å; M1-F20 HydrophobicContact CE-CE2 4.38Å; M1-F20 HydrophobicContact CE-CG 4.28Å; M1-F20 HydrophobicContact CE-CZ 3.86Å; M1-F20 HydrophobicContact SD-CB 4.37Å; M1-F20 HydrophobicContact SD-CD1 3.51Å; M1-F20 VanDerWaalsContact SD-CD1 3.51Å; M1-F20 HydrophobicContact SD-CE1 3.91Å; M1-F20 HydrophobicContact SD-CG 3.95Å; L3-F20 HydrophobicContact CB-CD2 4.42Å; L3-F20 HydrophobicContact CD2-CD2 4.04Å; L3-F20 HydrophobicContact CD2-CE2 3.44Å; L3-F20 VanDerWaalsContact CD2-CE2 3.44Å; L3-F20 HydrophobicContact CD2-CZ 4.04Å; L3-F20 HydrophobicContact CG-CD2 3.87Å; L3-F20 HydrophobicContact CG-CE2 3.81Å; L3-F20 WeakPolarHBondContact O-CB 3.33Å; R4-F20 PolarHBondContact O-N 3.37Å; R18-F20 HydrophobicContact CB-CE2 4.41Å; R18-F20 HydrophobicContact CG-CE1 4.31Å; R18-F20 HydrophobicContact CG-CE2 4.01Å; R18-F20 HydrophobicContact CG-CZ 3.8Å; F20-L111 HydrophobicContact CE2-CD1 3.77Å; F20-L111 HydrophobicContact CZ-CB 4.13Å; F20-L111 HydrophobicContact CZ-CD1 3.71Å; F20-E112 WeakPolarHBondContact CE1-OE1 3.28Å
21T88.4Confident88.6Confident41 Ų4161.7 Ų61.725%0.25229%0.29SS..SBendtrans-137.4164.6175.477.10000110.9R4 S19 R23 F25R4-T21 HydrophobicContact CB-CG2 4.09Å; R4-T21 HydrophobicContact CG-CG2 4.38Å; S19-T21 PolarHBondContact OG-N 3.44Å; S19-T21 PolarHBondContact OG-O 3.34Å; T21-R23 PolarHBondContact O-N 3.37Å; T21-R23 PolarHBondContact OG1-N 2.93Å; T21-R23 PolarHBondContact OG1-O 2.94Å; T21-F25 WeakPolarHBondContact OG1-CE2 3.27Å
22K84.4Confident88.4Confident224 Ų22458.9 Ų58.997%0.97428%0.277SS*.SBendtrans-73.2-15.7172.2-64.2-176.4179.5179.90113
23R84.7Confident88.2Confident143 Ų14356.5 Ų56.554%0.5427%0.267SS..SBendtrans-74.5133.4179.6-179.4172.7-179.8161.7-1.3109.2T21 F25 F49T21-R23 PolarHBondContact O-N 3.37Å; T21-R23 PolarHBondContact OG1-N 2.93Å; T21-R23 PolarHBondContact OG1-O 2.94Å; R23-F25 HydrophobicContact CB-CE2 4.12Å; R23-F25 HydrophobicContact CB-CZ 4.44Å; R23-F25 HydrophobicContact CG-CE2 4.22Å; R23-F25 HydrophobicContact CG-CZ 4.22Å; R23-F25 WeakPolarHBondContact O-CD2 3.37Å; R23-F49 VanDerWaalsContact NH1-CE2 3.25Å; R23-F49 VanDerWaalsContact NH1-CZ 3.35Å
24S87.7Confident87.7Confident74 Ų7457.3 Ų57.352%0.51727%0.274SS..  trans-74.2138.6171.2-174.60000110.4E26S24-E26 PolarHBondContact OG-N 3.28Å
25F91.3Very high86.9Confident2 Ų262 Ų621%0.00931%0.305CS..  trans-120.19.5170.8-67.6-83.7000111.9R4 Y5 T21 R23 D27 V28 V29 F49 V64R4-F25 HydrophobicContact CB-CE2 3.68Å; R4-F25 HydrophobicContact CB-CZ 3.73Å; R4-F25 HydrophobicContact CG-CZ 4.34Å; Y5-F25 HydrophobicContact CD1-CB 3.71Å; Y5-F25 HydrophobicContact CD2-CB 4.14Å; Y5-F25 HydrophobicContact CD2-CD2 4.28Å; Y5-F25 HydrophobicContact CE1-CB 4.21Å; Y5-F25 HydrophobicContact CG-CB 3.66Å; Y5-F25 HydrophobicContact CG-CD2 4.1Å; Y5-F25 HydrophobicContact CG-CG 4.22Å; T21-F25 WeakPolarHBondContact OG1-CE2 3.27Å; R23-F25 HydrophobicContact CB-CE2 4.12Å; R23-F25 HydrophobicContact CB-CZ 4.44Å; R23-F25 HydrophobicContact CG-CE2 4.22Å; R23-F25 HydrophobicContact CG-CZ 4.22Å; R23-F25 WeakPolarHBondContact O-CD2 3.37Å; F25-D27 VanDerWaalsContact C-N 3.32Å; F25-D27 PolarHBondContact O-N 3.47Å; F25-V28 HydrophobicContact CD1-CG2 4.35Å; F25-V28 PolarHBondContact O-N 3.05Å; F25-V29 PolarHBondContact O-N 3.46Å; F25-V29 VanDerWaalsContact O-N 3.09Å; F25-F49 AromaticContact CE1-CD1 3.87Å; F25-F49 HydrophobicContact CE1-CD1 3.87Å; F25-F49 AromaticContact CE1-CD2 3.91Å; F25-F49 HydrophobicContact CE1-CD2 3.91Å; F25-F49 AromaticContact CE1-CE1 3.88Å; F25-F49 HydrophobicContact CE1-CE1 3.88Å; F25-F49 AromaticContact CE1-CE2 3.93Å; F25-F49 HydrophobicContact CE1-CE2 3.93Å; F25-F49 AromaticContact CE1-CG 3.89Å; F25-F49 HydrophobicContact CE1-CG 3.89Å; F25-F49 AromaticContact CE1-CZ 3.91Å; F25-F49 HydrophobicContact CE1-CZ 3.91Å; F25-F49 HydrophobicContact CZ-CD1 4.04Å; F25-F49 AromaticContact CZ-CE1 3.71Å; F25-F49 HydrophobicContact CZ-CE1 3.71Å; F25-F49 HydrophobicContact CZ-CE2 4.4Å; F25-F49 AromaticContact CZ-CZ 3.91Å; F25-F49 HydrophobicContact CZ-CZ 3.91Å; F25-V64 HydrophobicContact CB-CG2 4.34Å; F25-V64 HydrophobicContact CD1-CB 4.29Å; F25-V64 HydrophobicContact CD1-CG1 3.65Å; F25-V64 HydrophobicContact CD1-CG2 4.39Å; F25-V64 HydrophobicContact CE1-CG1 3.68Å; F25-V64 HydrophobicContact CG-CG1 4.34Å; F25-V64 HydrophobicContact CG-CG2 4.49Å; F25-V64 HydrophobicContact CZ-CG1 4.4Å
26E90Very high85.8Confident51 Ų5166.8 Ų66.824%0.23833%0.331CS..Hα-helixtrans-57.1-45.8177.9175.5165.5-169.700110.9I14 S24 V28 V29 L30 K100I14-E26 HydrophobicContact CD1-CB 4.17Å; I14-E26 HydrophobicContact CD1-CG 3.76Å; S24-E26 PolarHBondContact OG-N 3.28Å; E26-V28 VanDerWaalsContact C-N 3.29Å; E26-V28 PolarHBondContact O-N 3.26Å; E26-V29 PolarHBondContact O-N 3.49Å; E26-V29 VanDerWaalsContact O-N 3.15Å; E26-L30 HydrophobicContact CG-CD1 3.76Å; E26-L30 HydrophobicContact CG-CG 4.11Å; E26-L30 WeakPolarHBondContact O-CB 3.49Å; E26-L30 VanDerWaalsContact O-CG 3.31Å; E26-L30 WeakPolarHBondContact O-CG 3.36Å; E26-L30 PolarHBondContact O-N 2.99Å; E26-K100 VanDerWaalsContact CD-NZ 3.31Å; E26-K100 IonicContact OE1-NZ 2.77Å; E26-K100 PolarHBondContact OE1-NZ 3.04Å; E26-K100 IonicContact OE2-NZ 2.79Å; E26-K100 PolarHBondContact OE2-NZ 3.3Å; E26-K100 VanDerWaalsContact OE2-NZ 3.15Å
27D85Confident84.7Confident89 Ų8967.3 Ų67.348%0.47634%0.336SS..Hα-helixtrans-60.8-38.2-179.5-58.1-15.6000112.7F25 K31 F172F25-D27 VanDerWaalsContact C-N 3.32Å; F25-D27 PolarHBondContact O-N 3.47Å; D27-K31 VanDerWaalsContact O-CB 3.29Å; D27-K31 WeakPolarHBondContact O-CB 3.23Å; D27-K31 PolarHBondContact O-N 3.3Å; D27-F172 HydrophobicContact CB-CE2 4.07Å; D27-F172 HydrophobicContact CB-CZ 4.29Å; D27-F172 WeakPolarHBondContact OD1-CE2 3.44Å
28V85.9Confident83.7Confident28 Ų2867.1 Ų67.117%0.1734%0.343CS..Hα-helixtrans-67.1-43.6178.3-174.60000110F25 E26 K31 Y32 L51F25-V28 HydrophobicContact CD1-CG2 4.35Å; F25-V28 PolarHBondContact O-N 3.05Å; E26-V28 VanDerWaalsContact C-N 3.29Å; E26-V28 PolarHBondContact O-N 3.26Å; V28-K31 PolarHBondContact O-N 2.99Å; V28-Y32 PolarHBondContact O-N 3.01Å; V28-Y32 VanDerWaalsContact O-N 3.13Å; V28-L51 HydrophobicContact CG1-CD1 3.86Å; V28-L51 HydrophobicContact CG1-CD2 3.42Å; V28-L51 VanDerWaalsContact CG1-CD2 3.42Å; V28-L51 HydrophobicContact CG1-CG 4.21Å
29V88.5Confident83.1Confident0 Ų067.3 Ų67.30%035%0.351CS..Hα-helixtrans-66.4-44.3176.9168.20000111.4Y5 A7 T9 I14 F25 E26 K31 Y32 L33 I62Y5-V29 HydrophobicContact CD1-CG2 4.16Å; Y5-V29 HydrophobicContact CE1-CG2 3.88Å; A7-V29 HydrophobicContact CB-CG1 4.18Å; A7-V29 HydrophobicContact CB-CG2 4.11Å; T9-V29 HydrophobicContact CG2-CG1 3.55Å; I14-V29 HydrophobicContact CD1-CB 4.11Å; I14-V29 HydrophobicContact CD1-CG1 3.76Å; I14-V29 HydrophobicContact CG1-CG1 3.82Å; F25-V29 PolarHBondContact O-N 3.46Å; F25-V29 VanDerWaalsContact O-N 3.09Å; E26-V29 PolarHBondContact O-N 3.49Å; E26-V29 VanDerWaalsContact O-N 3.15Å; V29-K31 VanDerWaalsContact C-N 3.32Å; V29-K31 PolarHBondContact O-N 3.48Å; V29-Y32 WeakPolarHBondContact O-CB 3.34Å; V29-Y32 PolarHBondContact O-N 3.29Å; V29-L33 PolarHBondContact O-N 2.86Å; V29-L33 VanDerWaalsContact O-N 3.12Å; V29-I62 HydrophobicContact CB-CD1 4.48Å; V29-I62 HydrophobicContact CG1-CD1 3.78Å; V29-I62 HydrophobicContact CG2-CD1 4.35Å; V29-I62 HydrophobicContact CG2-CG2 4.15Å
30L86.8Confident82.5Confident44 Ų4469.5 Ų69.523%0.2336%0.356CS..Hα-helixtrans-62.7-40.2176.9-69.3177.6000111.1E26 Y32 L33 L34E26-L30 HydrophobicContact CG-CD1 3.76Å; E26-L30 HydrophobicContact CG-CG 4.11Å; E26-L30 WeakPolarHBondContact O-CB 3.49Å; E26-L30 VanDerWaalsContact O-CG 3.31Å; E26-L30 WeakPolarHBondContact O-CG 3.36Å; E26-L30 PolarHBondContact O-N 2.99Å; L30-Y32 VanDerWaalsContact C-N 3.3Å; L30-Y32 PolarHBondContact O-N 2.92Å; L30-L33 HydrophobicContact CD2-CD1 4.32Å; L30-L33 WeakPolarHBondContact O-CB 3.27Å; L30-L33 PolarHBondContact O-N 3.35Å; L30-L33 VanDerWaalsContact O-N 3.08Å; L30-L34 WeakPolarHBondContact O-CG 3.32Å; L30-L34 PolarHBondContact O-N 3.45Å
31K81.5Confident82.1Confident111 Ų11169.4 Ų69.448%0.48336%0.359SS..Hα-helixtrans-58.6-40.5173.9-176.6179.3174.3-174.70112.5D27 V28 V29 L33 L34 E46D27-K31 VanDerWaalsContact O-CB 3.29Å; D27-K31 WeakPolarHBondContact O-CB 3.23Å; D27-K31 PolarHBondContact O-N 3.3Å; V28-K31 PolarHBondContact O-N 2.99Å; V29-K31 VanDerWaalsContact C-N 3.32Å; V29-K31 PolarHBondContact O-N 3.48Å; K31-L33 VanDerWaalsContact C-N 3.35Å; K31-L34 PolarHBondContact O-N 3.5Å; K31-E46 IonicContact NZ-OE1 3.21Å; K31-E46 PolarHBondContact NZ-OE1 3.46Å
32Y79.8Confident81.9Confident9 Ų969.5 Ų69.54%0.03536%0.357CS..Hα-helixtrans-61.3-42.1173.3177.9-101.9000112.1V28 V29 L30 C35 P37 I42 Y44 C53 T55 I62V28-Y32 PolarHBondContact O-N 3.01Å; V28-Y32 VanDerWaalsContact O-N 3.13Å; V29-Y32 WeakPolarHBondContact O-CB 3.34Å; V29-Y32 PolarHBondContact O-N 3.29Å; L30-Y32 VanDerWaalsContact C-N 3.3Å; L30-Y32 PolarHBondContact O-N 2.92Å; Y32-C35 WeakPolarHBondContact O-CB 3.18Å; Y32-C35 PolarHBondContact O-N 3.47Å; Y32-P37 HydrophobicContact CD1-CB 4.45Å; Y32-P37 HydrophobicContact CD1-CG 4.02Å; Y32-P37 HydrophobicContact CE1-CB 3.64Å; Y32-P37 HydrophobicContact CE1-CG 3.43Å; Y32-P37 VanDerWaalsContact CE1-CG 3.43Å; Y32-P37 HydrophobicContact CE2-CB 3.97Å; Y32-P37 VanDerWaalsContact OH-CB 3.22Å; Y32-P37 WeakPolarHBondContact OH-CB 3.36Å; Y32-I42 HydrophobicContact CE2-CB 4.45Å; Y32-I42 HydrophobicContact CE2-CD1 4.15Å; Y32-Y44 AromaticContact CD2-CE1 3.82Å; Y32-Y44 HydrophobicContact CD2-CE1 3.82Å; Y32-Y44 WeakPolarHBondContact CD2-OH 3.38Å; Y32-Y44 HydrophobicContact CE2-CE1 4.19Å; Y32-C53 HydrophobicContact CD2-CB 4.45Å; Y32-C53 HydrophobicContact CE1-CB 3.92Å; Y32-C53 HydrophobicContact CE2-CB 3.65Å; Y32-C53 VanDerWaalsContact CE2-SG 3.55Å; Y32-C53 VanDerWaalsContact OH-CB 3.27Å; Y32-C53 WeakPolarHBondContact OH-CB 3.35Å; Y32-T55 PolarHBondContact OH-OG1 2.94Å; Y32-T55 VanDerWaalsContact OH-OG1 3.05Å; Y32-I62 HydrophobicContact CD1-CD1 3.45Å; Y32-I62 VanDerWaalsContact CD1-CD1 3.45Å; Y32-I62 HydrophobicContact CD1-CG1 4.11Å; Y32-I62 HydrophobicContact CE1-CD1 3.94Å; Y32-I62 HydrophobicContact CE1-CG1 4.19Å; Y32-I62 HydrophobicContact CG-CD1 4.25Å
33L79.2Confident82Confident15 Ų1562.3 Ų62.38%0.07932%0.324CS..Hα-helixtrans-66.3-35.8177.4-63180000113.1T9 V29 L30 K31 C35 N36T9-L33 HydrophobicContact CG2-CD1 4.17Å; V29-L33 PolarHBondContact O-N 2.86Å; V29-L33 VanDerWaalsContact O-N 3.12Å; L30-L33 HydrophobicContact CD2-CD1 4.32Å; L30-L33 WeakPolarHBondContact O-CB 3.27Å; L30-L33 PolarHBondContact O-N 3.35Å; L30-L33 VanDerWaalsContact O-N 3.08Å; K31-L33 VanDerWaalsContact C-N 3.35Å; L33-C35 PolarHBondContact O-N 2.96Å; L33-N36 PolarHBondContact O-N 2.98Å
34L78.2Confident82.1Confident93 Ų9358.6 Ų58.649%0.48731%0.311SS..Hα-helixtrans-60.1-27.9176.4-67.5173.1000112.4L30 K31 N36 L165L30-L34 WeakPolarHBondContact O-CG 3.32Å; L30-L34 PolarHBondContact O-N 3.45Å; K31-L34 PolarHBondContact O-N 3.5Å; L34-N36 PolarHBondContact O-N 2.8Å; L34-L165 HydrophobicContact CD2-CD1 3.33Å
35C76.8Confident81.9Confident100 Ų10057.5 Ų57.568%0.67630%0.303SS*.THydrogen-bonded Turntrans-74.6-1.8175.1-64.10000113.6Y32 L33Y32-C35 WeakPolarHBondContact O-CB 3.18Å; Y32-C35 PolarHBondContact O-N 3.47Å; L33-C35 PolarHBondContact O-N 2.96Å
36N69.5Low81.3Confident102 Ų10260.1 Ų60.155%0.54532%0.315SS..  trans47.168-175.8-171.958.3000111.7L33 L34L33-N36 PolarHBondContact O-N 2.98Å; L34-N36 PolarHBondContact O-N 2.8Å
37P71.6Confident80.9Confident20 Ų2060 Ų6013%0.1333%0.328CS..  trans-62.4132.2-170.427-35.2000110.9Y32 T55Y32-P37 HydrophobicContact CD1-CB 4.45Å; Y32-P37 HydrophobicContact CD1-CG 4.02Å; Y32-P37 HydrophobicContact CE1-CB 3.64Å; Y32-P37 HydrophobicContact CE1-CG 3.43Å; Y32-P37 VanDerWaalsContact CE1-CG 3.43Å; Y32-P37 HydrophobicContact CE2-CB 3.97Å; Y32-P37 VanDerWaalsContact OH-CB 3.22Å; Y32-P37 WeakPolarHBondContact OH-CB 3.36Å; P37-T55 HydrophobicContact CG-CG2 4.39Å
38P74.2Confident81Confident72 Ų7261.5 Ų61.547%0.46834%0.336SS..  trans-68.9160.7173.129.8-34.5000110.7Q40 T55P38-Q40 VanDerWaalsContact C-N 3.31Å; P38-Q40 HydrophobicContact CG-CG 3.99Å; P38-Q40 PolarHBondContact O-N 3.33Å; P38-T55 WeakPolarHBondContact O-CB 3.22Å
39D79.1Confident81.2Confident95 Ų9561.4 Ų61.451%0.50833%0.333SS..SBendtrans-66.584.5176.7-78.6-1.4000111.4T55 S57 G58D39-T55 CarbonylContact C-O 3.59Å; D39-T55 WeakPolarHBondContact CA-O 3.35Å; D39-T55 WeakPolarHBondContact OD1-CG2 3.13Å; D39-S57 PolarHBondContact OD1-N 2.87Å; D39-S57 VanDerWaalsContact OD1-N 3.09Å; D39-S57 WeakPolarHBondContact OD2-CA 3.46Å; D39-S57 PolarHBondContact OD2-N 2.88Å; D39-G58 PolarHBondContact OD1-N 3.36Å
40Q78.7Confident81.3Confident92 Ų9261.4 Ų61.443%0.4333%0.333SS..SBendtrans-159.3170.3-179.971.8-172.317.200111.9P38 I42 T55P38-Q40 VanDerWaalsContact C-N 3.31Å; P38-Q40 HydrophobicContact CG-CG 3.99Å; P38-Q40 PolarHBondContact O-N 3.33Å; Q40-I42 HydrophobicContact CG-CD1 3.98Å; Q40-I42 HydrophobicContact CG-CG1 3.64Å; Q40-T55 PolarHBondContact N-O 3.42Å; Q40-T55 PolarHBondContact O-N 3.39Å; Q40-T55 VanDerWaalsContact O-N 3.07Å
41D82.9Confident81.5Confident53 Ų5359.3 Ų59.328%0.28332%0.322SS..EExtended strand (participates in β ladder)trans-83.3130.3167.179.1-67.2000111.2C53 L54 R75D41-C53 CarbonylContact C-O 3.55Å; D41-C53 WeakPolarHBondContact CA-O 3.3Å; D41-L54 HydrophobicContact CB-CD1 4.18Å; D41-R75 IonicContact OD2-CZ 2.73Å; D41-R75 IonicContact OD2-NE 3.41Å; D41-R75 IonicContact OD2-NH1 3.42Å; D41-R75 PolarHBondContact OD2-NH1 3.01Å
42I84.7Confident82.1Confident42 Ų4254.3 Ų54.322%0.21530%0.3CS..EExtended strand (participates in β ladder)trans-129.1136.8179.2-54.8-176.1000109Y32 Q40 Y44 C53Y32-I42 HydrophobicContact CE2-CB 4.45Å; Y32-I42 HydrophobicContact CE2-CD1 4.15Å; Q40-I42 HydrophobicContact CG-CD1 3.98Å; Q40-I42 HydrophobicContact CG-CG1 3.64Å; I42-Y44 HydrophobicContact CG2-CD1 3.97Å; I42-Y44 HydrophobicContact CG2-CE1 4.42Å; I42-C53 HydrophobicContact CB-CB 4.3Å; I42-C53 PolarHBondContact N-O 3.35Å; I42-C53 PolarHBondContact O-N 2.95Å
43Y86.1Confident82.6Confident73 Ų7354.1 Ų54.129%0.28630%0.3SS..EExtended strand (participates in β ladder)trans-131.9130173.8168.1-97.8000110S50 L51 H52 R71Y43-S50 PolarHBondContact OH-OG 3.49Å; Y43-L51 WeakPolarHBondContact CA-O 3.44Å; Y43-L51 WeakPolarHBondContact CD2-O 3.23Å; Y43-H52 AromaticContact CD2-CE1 3.32Å; Y43-H52 WeakPolarHBondContact CD2-CE1 3.37Å; Y43-H52 AromaticContact CD2-ND1 3.48Å; Y43-H52 WeakPolarHBondContact CD2-ND1 3.39Å; Y43-H52 AromaticContact CD2-NE2 3.97Å; Y43-H52 AromaticContact CE2-CE1 3.28Å; Y43-H52 WeakPolarHBondContact CE2-CE1 3.39Å; Y43-H52 AromaticContact CE2-ND1 3.94Å; Y43-H52 AromaticContact CE2-NE2 3.69Å; Y43-R71 HydrophobicContact CD2-CG 4.14Å; Y43-R71 HydrophobicContact CE2-CG 4.15Å; Y43-R71 HydrophobicContact CG-CG 4.36Å
44Y86.5Confident83.1Confident66 Ų6653.5 Ų53.526%0.25930%0.297SS..EExtended strand (participates in β ladder)trans-153.4162.2174.562.8-81.9000110.7Y32 I42 E46 L51Y32-Y44 AromaticContact CD2-CE1 3.82Å; Y32-Y44 HydrophobicContact CD2-CE1 3.82Å; Y32-Y44 WeakPolarHBondContact CD2-OH 3.38Å; Y32-Y44 HydrophobicContact CE2-CE1 4.19Å; I42-Y44 HydrophobicContact CG2-CD1 3.97Å; I42-Y44 HydrophobicContact CG2-CE1 4.42Å; Y44-E46 HydrophobicContact CE2-CB 4.47Å; Y44-L51 HydrophobicContact CD1-CB 4.26Å; Y44-L51 HydrophobicContact CD2-CB 4.48Å; Y44-L51 HydrophobicContact CE1-CB 3.9Å; Y44-L51 HydrophobicContact CE1-CD2 4.45Å; Y44-L51 HydrophobicContact CE2-CB 4.14Å; Y44-L51 HydrophobicContact CE2-CD1 4.03Å; Y44-L51 HydrophobicContact CE2-CD2 4.17Å; Y44-L51 HydrophobicContact CE2-CG 4.31Å; Y44-L51 PolarHBondContact N-O 3.26Å; Y44-L51 PolarHBondContact O-N 3.37Å; Y44-L51 VanDerWaalsContact OH-CD2 3.3Å; Y44-L51 WeakPolarHBondContact OH-CD2 3.25Å
45S83.8Confident83.5Confident51 Ų5149.2 Ų49.236%0.35728%0.275SS..EExtended strand (participates in β ladder)trans-108.8140.9174.8-57.10000110.6F49 S50S45-F49 CarbonylContact C-O 3.57Å; S45-F49 VanDerWaalsContact CA-O 3.25Å; S45-F49 WeakPolarHBondContact CA-O 3.23Å; S45-F49 WeakPolarHBondContact CB-O 3.49Å; S45-S50 PolarHBondContact OG-OG 3.34Å
46E79Confident83.9Confident57 Ų5744.5 Ų44.527%0.26624%0.243SC..EExtended strand (participates in β ladder)trans-132.9109.8176.7-175.9161.2-165.100109.3K31 Y44 D48 F49 L51K31-E46 IonicContact NZ-OE1 3.21Å; K31-E46 PolarHBondContact NZ-OE1 3.46Å; Y44-E46 HydrophobicContact CE2-CB 4.47Å; E46-D48 PolarHBondContact O-N 3.1Å; E46-F49 PolarHBondContact N-O 2.93Å; E46-F49 PolarHBondContact O-N 3.35Å; E46-F49 VanDerWaalsContact O-N 3.14Å; E46-L51 HydrophobicContact CB-CD1 4.07Å
47G80.6Confident84.6Confident49 Ų4941.3 Ų41.351%0.50523%0.228SC..THydrogen-bonded Turntrans57.3-130-172.300000111.5F49 R67G47-F49 PolarHBondContact O-N 3.33Å; G47-R67 PolarHBondContact O-NE 2.95Å; G47-R67 PolarHBondContact O-NH2 3.11Å
48D86.9Confident85.2Confident119 Ų11940.8 Ų40.864%0.63623%0.227SC*.THydrogen-bonded Turntrans-80.76.7-179.3-56.8-47.3000114.2E46 R67E46-D48 PolarHBondContact O-N 3.1Å; D48-R67 VanDerWaalsContact O-CB 3.31Å; D48-R67 WeakPolarHBondContact O-CB 3.16Å; D48-R67 PolarHBondContact O-N 2.98Å; D48-R67 VanDerWaalsContact O-N 3.08Å
49F90Very high86Confident26 Ų2637.4 Ų37.411%0.11421%0.205CC..EExtended strand (participates in β ladder)trans-119.5157.7-174.2-51.3-73.8000112.6R4 R23 F25 S45 E46 G47 V64 T65R4-F49 HydrophobicContact CG-CD1 4.3Å; R4-F49 HydrophobicContact CG-CE1 4.32Å; R23-F49 VanDerWaalsContact NH1-CE2 3.25Å; R23-F49 VanDerWaalsContact NH1-CZ 3.35Å; F25-F49 AromaticContact CE1-CD1 3.87Å; F25-F49 HydrophobicContact CE1-CD1 3.87Å; F25-F49 AromaticContact CE1-CD2 3.91Å; F25-F49 HydrophobicContact CE1-CD2 3.91Å; F25-F49 AromaticContact CE1-CE1 3.88Å; F25-F49 HydrophobicContact CE1-CE1 3.88Å; F25-F49 AromaticContact CE1-CE2 3.93Å; F25-F49 HydrophobicContact CE1-CE2 3.93Å; F25-F49 AromaticContact CE1-CG 3.89Å; F25-F49 HydrophobicContact CE1-CG 3.89Å; F25-F49 AromaticContact CE1-CZ 3.91Å; F25-F49 HydrophobicContact CE1-CZ 3.91Å; F25-F49 HydrophobicContact CZ-CD1 4.04Å; F25-F49 AromaticContact CZ-CE1 3.71Å; F25-F49 HydrophobicContact CZ-CE1 3.71Å; F25-F49 HydrophobicContact CZ-CE2 4.4Å; F25-F49 AromaticContact CZ-CZ 3.91Å; F25-F49 HydrophobicContact CZ-CZ 3.91Å; S45-F49 CarbonylContact C-O 3.57Å; S45-F49 VanDerWaalsContact CA-O 3.25Å; S45-F49 WeakPolarHBondContact CA-O 3.23Å; S45-F49 WeakPolarHBondContact CB-O 3.49Å; E46-F49 PolarHBondContact N-O 2.93Å; E46-F49 PolarHBondContact O-N 3.35Å; E46-F49 VanDerWaalsContact O-N 3.14Å; G47-F49 PolarHBondContact O-N 3.33Å; F49-V64 HydrophobicContact CB-CG1 3.86Å; F49-V64 HydrophobicContact CD1-CG1 4.43Å; F49-V64 HydrophobicContact CG-CG1 4.22Å; F49-T65 CarbonylContact C-O 3.6Å; F49-T65 VanDerWaalsContact CA-O 3.27Å; F49-T65 WeakPolarHBondContact CA-O 3.07Å; F49-T65 WeakPolarHBondContact CB-O 3.48Å
50S90.5Very high86.6Confident0 Ų033 Ų330%018%0.182CC..EExtended strand (participates in β ladder)trans-115.5138.6170.9-78.30000109.4Y43 S45 V64 T65 R67Y43-S50 PolarHBondContact OH-OG 3.49Å; S45-S50 PolarHBondContact OG-OG 3.34Å; S50-V64 WeakPolarHBondContact O-CA 3.17Å; S50-T65 WeakPolarHBondContact CB-OG1 3.36Å; S50-T65 PolarHBondContact N-O 2.99Å; S50-T65 PolarHBondContact O-N 3.12Å; S50-T65 PolarHBondContact O-OG1 3.38Å; S50-R67 PolarHBondContact OG-O 3.5Å
51L92.8Very high87.4Confident0 Ų028.6 Ų28.60%016%0.161CC..EExtended strand (participates in β ladder)trans-112.2127.8176.9-78.288.9000109.8V28 Y43 Y44 E46 I62 A63 V64V28-L51 HydrophobicContact CG1-CD1 3.86Å; V28-L51 HydrophobicContact CG1-CD2 3.42Å; V28-L51 VanDerWaalsContact CG1-CD2 3.42Å; V28-L51 HydrophobicContact CG1-CG 4.21Å; Y43-L51 WeakPolarHBondContact CA-O 3.44Å; Y43-L51 WeakPolarHBondContact CD2-O 3.23Å; Y44-L51 HydrophobicContact CD1-CB 4.26Å; Y44-L51 HydrophobicContact CD2-CB 4.48Å; Y44-L51 HydrophobicContact CE1-CB 3.9Å; Y44-L51 HydrophobicContact CE1-CD2 4.45Å; Y44-L51 HydrophobicContact CE2-CB 4.14Å; Y44-L51 HydrophobicContact CE2-CD1 4.03Å; Y44-L51 HydrophobicContact CE2-CD2 4.17Å; Y44-L51 HydrophobicContact CE2-CG 4.31Å; Y44-L51 PolarHBondContact N-O 3.26Å; Y44-L51 PolarHBondContact O-N 3.37Å; Y44-L51 VanDerWaalsContact OH-CD2 3.3Å; Y44-L51 WeakPolarHBondContact OH-CD2 3.25Å; E46-L51 HydrophobicContact CB-CD1 4.07Å; L51-I62 HydrophobicContact CD2-CG2 4.14Å; L51-A63 WeakPolarHBondContact CA-O 3.45Å; L51-V64 HydrophobicContact CD2-CG2 4.35Å; L51-V64 HydrophobicContact CG-CG2 4.25Å
52H93.3Very high88Confident6 Ų626.1 Ų26.13%0.02815%0.148CC..EExtended strand (participates in β ladder)trans-113.3107.7173.2-56.8-92.6000107.4Y43 I62 A63 T65 F74 V78Y43-H52 AromaticContact CD2-CE1 3.32Å; Y43-H52 WeakPolarHBondContact CD2-CE1 3.37Å; Y43-H52 AromaticContact CD2-ND1 3.48Å; Y43-H52 WeakPolarHBondContact CD2-ND1 3.39Å; Y43-H52 AromaticContact CD2-NE2 3.97Å; Y43-H52 AromaticContact CE2-CE1 3.28Å; Y43-H52 WeakPolarHBondContact CE2-CE1 3.39Å; Y43-H52 AromaticContact CE2-ND1 3.94Å; Y43-H52 AromaticContact CE2-NE2 3.69Å; H52-I62 CarbonylContact O-C 3.5Å; H52-I62 WeakPolarHBondContact O-CA 3.25Å; H52-A63 HydrophobicContact CB-CB 4.28Å; H52-A63 PolarHBondContact N-O 3.49Å; H52-A63 PolarHBondContact O-N 2.9Å; H52-T65 PolarHBondContact NE2-OG1 2.8Å; H52-F74 HydrophobicContact CB-CB 4.48Å; H52-V78 HydrophobicContact CB-CG2 4.05Å
53C90.4Very high88.5Confident5 Ų524.1 Ų24.13%0.03414%0.138CC..EExtended strand (participates in β ladder)trans-114.9141.2-176.5-52.20000110.1Y32 D41 I42 F61 I62Y32-C53 HydrophobicContact CD2-CB 4.45Å; Y32-C53 HydrophobicContact CE1-CB 3.92Å; Y32-C53 HydrophobicContact CE2-CB 3.65Å; Y32-C53 VanDerWaalsContact CE2-SG 3.55Å; Y32-C53 VanDerWaalsContact OH-CB 3.27Å; Y32-C53 WeakPolarHBondContact OH-CB 3.35Å; D41-C53 CarbonylContact C-O 3.55Å; D41-C53 WeakPolarHBondContact CA-O 3.3Å; I42-C53 HydrophobicContact CB-CB 4.3Å; I42-C53 PolarHBondContact N-O 3.35Å; I42-C53 PolarHBondContact O-N 2.95Å; C53-F61 CarbonylContact C-O 3.53Å; C53-F61 WeakPolarHBondContact CA-O 3.3Å; C53-I62 HydrophobicContact CB-CG1 4.29Å
54L90.2Very high89Confident2 Ų220.6 Ų20.61%0.0112%0.124CC..EExtended strand (participates in β ladder)trans-135.1121.8167174.860.5000107.9D41 V56 S60 F61 V78 V79 S82 V134D41-L54 HydrophobicContact CB-CD1 4.18Å; L54-V56 HydrophobicContact CD1-CG2 4.1Å; L54-V56 HydrophobicContact CD2-CG2 4.4Å; L54-V56 HydrophobicContact CG-CG2 3.98Å; L54-S60 CarbonylContact O-C 3.51Å; L54-S60 WeakPolarHBondContact O-CA 3.5Å; L54-F61 PolarHBondContact N-O 3.36Å; L54-F61 PolarHBondContact O-N 2.88Å; L54-V78 HydrophobicContact CB-CG1 3.33Å; L54-V78 HydrophobicContact CD2-CG1 4.26Å; L54-V78 HydrophobicContact CG-CG1 4.44Å; L54-V79 HydrophobicContact CD2-CG2 4.01Å; L54-S82 WeakPolarHBondContact CD2-OG 3.38Å; L54-V134 HydrophobicContact CD1-CG1 3.88Å; L54-V134 HydrophobicContact CD1-CG2 4.21Å
55T86.3Confident89.3Confident3 Ų317.5 Ų17.52%0.01811%0.112CC..EExtended strand (participates in β ladder)trans-108.5130.5175.9-56.90000109.1Y32 P37 P38 D39 Q40 L59 S60Y32-T55 PolarHBondContact OH-OG1 2.94Å; Y32-T55 VanDerWaalsContact OH-OG1 3.05Å; P37-T55 HydrophobicContact CG-CG2 4.39Å; P38-T55 WeakPolarHBondContact O-CB 3.22Å; D39-T55 CarbonylContact C-O 3.59Å; D39-T55 WeakPolarHBondContact CA-O 3.35Å; D39-T55 WeakPolarHBondContact OD1-CG2 3.13Å; Q40-T55 PolarHBondContact N-O 3.42Å; Q40-T55 PolarHBondContact O-N 3.39Å; Q40-T55 VanDerWaalsContact O-N 3.07Å; T55-L59 CarbonylContact C-O 3.59Å; T55-L59 VanDerWaalsContact CA-O 3.29Å; T55-L59 WeakPolarHBondContact CA-O 3.33Å; T55-S60 WeakPolarHBondContact CG2-OG 3.28Å; T55-S60 WeakPolarHBondContact OG1-CB 3.34Å; T55-S60 PolarHBondContact OG1-OG 3.28Å
56V85.7Confident89.7Confident2 Ų216.8 Ų16.81%0.01210%0.104CC..EExtended strand (participates in β ladder)trans-141.2121.1178.4-176.10000108.8L54 G58 L59 L86 V137L54-V56 HydrophobicContact CD1-CG2 4.1Å; L54-V56 HydrophobicContact CD2-CG2 4.4Å; L54-V56 HydrophobicContact CG-CG2 3.98Å; V56-G58 PolarHBondContact O-N 3.49Å; V56-L59 PolarHBondContact N-O 3.07Å; V56-L59 PolarHBondContact O-N 2.94Å; V56-L86 HydrophobicContact CB-CD1 4.01Å; V56-L86 HydrophobicContact CG1-CD1 3.93Å; V56-V137 HydrophobicContact CG1-CG1 4.33Å; V56-V137 HydrophobicContact CG2-CG1 3.94Å
57S83.4Confident90.2Very high34 Ų3420.1 Ų20.124%0.23811%0.114CC..THydrogen-bonded Turntrans5337.2179.2-61.40000113.2D39 L59 K96 M141D39-S57 PolarHBondContact OD1-N 2.87Å; D39-S57 VanDerWaalsContact OD1-N 3.09Å; D39-S57 WeakPolarHBondContact OD2-CA 3.46Å; D39-S57 PolarHBondContact OD2-N 2.88Å; S57-L59 VanDerWaalsContact C-N 3.27Å; S57-L59 PolarHBondContact O-N 3.2Å; S57-K96 PolarHBondContact O-NZ 3.28Å; S57-M141 WeakPolarHBondContact CB-SD 3.19Å; S57-M141 WeakPolarHBondContact OG-CE 3.42Å; S57-M141 PolarHBondContact OG-SD 3.07Å
58G84.5Confident90.5Very high10 Ų1025.3 Ų25.310%0.10313%0.13CC..THydrogen-bonded Turntrans63.925.3-176.900000115E11 D39 V56 K96E11-G58 PolarHBondContact N-O 3.43Å; D39-G58 PolarHBondContact OD1-N 3.36Å; V56-G58 PolarHBondContact O-N 3.49Å; G58-K96 VanDerWaalsContact CA-NZ 3.35Å; G58-K96 PolarHBondContact O-NZ 3.37Å
59L90.8Very high90.5Very high0 Ų020 Ų200%010%0.103CC..EExtended strand (participates in β ladder)trans-104.9134.4154.3-62.2-173.5000109.1T9 N10 T55 V56 S57 F61 F85 L86 F92 A95 K96T9-L59 CarbonylContact O-C 3.51Å; T9-L59 WeakPolarHBondContact O-CA 3.33Å; N10-L59 HydrophobicContact CB-CD2 3.74Å; T55-L59 CarbonylContact C-O 3.59Å; T55-L59 VanDerWaalsContact CA-O 3.29Å; T55-L59 WeakPolarHBondContact CA-O 3.33Å; V56-L59 PolarHBondContact N-O 3.07Å; V56-L59 PolarHBondContact O-N 2.94Å; S57-L59 VanDerWaalsContact C-N 3.27Å; S57-L59 PolarHBondContact O-N 3.2Å; L59-F61 HydrophobicContact CB-CE2 4.18Å; L59-F85 HydrophobicContact CD1-CD1 4.24Å; L59-F85 HydrophobicContact CD1-CE1 3.7Å; L59-L86 HydrophobicContact CD1-CD2 3.97Å; L59-F92 HydrophobicContact CD1-CD2 3.57Å; L59-F92 HydrophobicContact CD1-CE2 3.89Å; L59-F92 HydrophobicContact CG-CD2 4.3Å; L59-F92 HydrophobicContact CG-CE2 4.11Å; L59-A95 HydrophobicContact CD1-CB 3.77Å; L59-A95 HydrophobicContact CD2-CB 3.84Å; L59-K96 HydrophobicContact CD2-CD 4.42Å
60S92.1Very high90.4Very high3 Ų322 Ų222%0.02112%0.12CC..EExtended strand (participates in β ladder)trans-113.4131.3175-43.60000111.9I8 T9 L54 T55I8-S60 WeakPolarHBondContact CA-O 3.19Å; T9-S60 PolarHBondContact N-O 3.19Å; T9-S60 PolarHBondContact O-N 3.14Å; T9-S60 WeakPolarHBondContact OG1-CB 3.21Å; T9-S60 PolarHBondContact OG1-N 3.46Å; T9-S60 PolarHBondContact OG1-O 3.26Å; L54-S60 CarbonylContact O-C 3.51Å; L54-S60 WeakPolarHBondContact O-CA 3.5Å; T55-S60 WeakPolarHBondContact CG2-OG 3.28Å; T55-S60 WeakPolarHBondContact OG1-CB 3.34Å; T55-S60 PolarHBondContact OG1-OG 3.28Å
61F95Very high90.3Very high0 Ų028.2 Ų28.20%014%0.144CC..EExtended strand (participates in β ladder)trans-105.1117.6175.5-59.9-92.6000107.9F6 I8 C53 L54 L59 V78 V81 F85 L86F6-F61 HydrophobicContact CZ-CB 4.31Å; I8-F61 HydrophobicContact CB-CD1 4.48Å; I8-F61 HydrophobicContact CB-CE1 4.49Å; I8-F61 HydrophobicContact CD1-CD1 4.12Å; I8-F61 HydrophobicContact CD1-CE1 3.91Å; I8-F61 HydrophobicContact CG1-CD1 3.79Å; I8-F61 HydrophobicContact CG1-CE1 3.97Å; I8-F61 HydrophobicContact CG2-CD1 4.13Å; I8-F61 HydrophobicContact CG2-CE1 3.77Å; I8-F61 HydrophobicContact CG2-CZ 4.27Å; C53-F61 CarbonylContact C-O 3.53Å; C53-F61 WeakPolarHBondContact CA-O 3.3Å; L54-F61 PolarHBondContact N-O 3.36Å; L54-F61 PolarHBondContact O-N 2.88Å; L59-F61 HydrophobicContact CB-CE2 4.18Å; F61-V78 HydrophobicContact CB-CG1 3.8Å; F61-V78 WeakPolarHBondContact O-CG1 3.29Å; F61-V81 HydrophobicContact CD1-CG1 4.06Å; F61-V81 HydrophobicContact CE1-CG1 4.43Å; F61-F85 HydrophobicContact CE1-CB 3.56Å; F61-F85 AromaticContact CE1-CD1 3.95Å; F61-F85 HydrophobicContact CE1-CD1 3.95Å; F61-F85 HydrophobicContact CE1-CD2 4.38Å; F61-F85 AromaticContact CE1-CG 3.71Å; F61-F85 HydrophobicContact CE1-CG 3.71Å; F61-F85 HydrophobicContact CZ-CB 3.87Å; F61-F85 AromaticContact CZ-CD1 3.72Å; F61-F85 HydrophobicContact CZ-CD1 3.72Å; F61-F85 AromaticContact CZ-CG 3.95Å; F61-F85 HydrophobicContact CZ-CG 3.95Å; F61-L86 HydrophobicContact CE2-CD1 4.11Å; F61-L86 HydrophobicContact CE2-CG 4.34Å; F61-L86 HydrophobicContact CZ-CD1 4.31Å; F61-L86 HydrophobicContact CZ-CD2 4.34Å; F61-L86 HydrophobicContact CZ-CG 4.06Å
62I95.2Very high90Very high0 Ų031.9 Ų31.90%016%0.161CC..EExtended strand (participates in β ladder)trans-130.6118.1-167.9-56.3162.5000108.9F6 A7 T9 V29 Y32 L51 H52 C53F6-I62 CarbonylContact C-O 3.59Å; F6-I62 VanDerWaalsContact CA-O 3.31Å; F6-I62 WeakPolarHBondContact CA-O 3.31Å; A7-I62 PolarHBondContact N-O 3.45Å; A7-I62 PolarHBondContact O-N 2.93Å; T9-I62 HydrophobicContact CG2-CD1 4.19Å; V29-I62 HydrophobicContact CB-CD1 4.48Å; V29-I62 HydrophobicContact CG1-CD1 3.78Å; V29-I62 HydrophobicContact CG2-CD1 4.35Å; V29-I62 HydrophobicContact CG2-CG2 4.15Å; Y32-I62 HydrophobicContact CD1-CD1 3.45Å; Y32-I62 VanDerWaalsContact CD1-CD1 3.45Å; Y32-I62 HydrophobicContact CD1-CG1 4.11Å; Y32-I62 HydrophobicContact CE1-CD1 3.94Å; Y32-I62 HydrophobicContact CE1-CG1 4.19Å; Y32-I62 HydrophobicContact CG-CD1 4.25Å; L51-I62 HydrophobicContact CD2-CG2 4.14Å; H52-I62 CarbonylContact O-C 3.5Å; H52-I62 WeakPolarHBondContact O-CA 3.25Å; C53-I62 HydrophobicContact CB-CG1 4.29Å
63A95.5Very high89.8Confident0 Ų035 Ų350%017%0.174CC..EExtended strand (participates in β ladder)trans-104.8127.3169.500000109.9L3 F6 L51 H52 V78L3-A63 HydrophobicContact CD1-CB 3.89Å; F6-A63 HydrophobicContact CD2-CB 3.7Å; F6-A63 HydrophobicContact CE2-CB 3.94Å; L51-A63 WeakPolarHBondContact CA-O 3.45Å; H52-A63 HydrophobicContact CB-CB 4.28Å; H52-A63 PolarHBondContact N-O 3.49Å; H52-A63 PolarHBondContact O-N 2.9Å; A63-V78 HydrophobicContact CB-CG2 3.64Å
64V95.6Very high89.8Confident0 Ų034.8 Ų34.80%017%0.173CC..EExtended strand (participates in β ladder)trans-103.4123.5171.8-169.80000108.7R4 Y5 F25 F49 S50 L51R4-V64 PolarHBondContact N-O 3.44Å; Y5-V64 HydrophobicContact CD1-CG2 4.31Å; Y5-V64 PolarHBondContact N-O 2.87Å; Y5-V64 PolarHBondContact O-N 3.21Å; F25-V64 HydrophobicContact CB-CG2 4.34Å; F25-V64 HydrophobicContact CD1-CB 4.29Å; F25-V64 HydrophobicContact CD1-CG1 3.65Å; F25-V64 HydrophobicContact CD1-CG2 4.39Å; F25-V64 HydrophobicContact CE1-CG1 3.68Å; F25-V64 HydrophobicContact CG-CG1 4.34Å; F25-V64 HydrophobicContact CG-CG2 4.49Å; F25-V64 HydrophobicContact CZ-CG1 4.4Å; F49-V64 HydrophobicContact CB-CG1 3.86Å; F49-V64 HydrophobicContact CD1-CG1 4.43Å; F49-V64 HydrophobicContact CG-CG1 4.22Å; S50-V64 WeakPolarHBondContact O-CA 3.17Å; L51-V64 HydrophobicContact CD2-CG2 4.35Å; L51-V64 HydrophobicContact CG-CG2 4.25Å
65T94.2Very high89.8Confident0 Ų036.2 Ų36.20%018%0.178CC..EExtended strand (participates in β ladder)trans-128.2165.9-174.158.80000111.2D2 L3 F49 S50 H52 F74D2-T65 CarbonylContact O-C 3.6Å; D2-T65 WeakPolarHBondContact O-CA 3.25Å; L3-T65 HydrophobicContact CD1-CG2 4.04Å; F49-T65 CarbonylContact C-O 3.6Å; F49-T65 VanDerWaalsContact CA-O 3.27Å; F49-T65 WeakPolarHBondContact CA-O 3.07Å; F49-T65 WeakPolarHBondContact CB-O 3.48Å; S50-T65 WeakPolarHBondContact CB-OG1 3.36Å; S50-T65 PolarHBondContact N-O 2.99Å; S50-T65 PolarHBondContact O-N 3.12Å; S50-T65 PolarHBondContact O-OG1 3.38Å; H52-T65 PolarHBondContact NE2-OG1 2.8Å; T65-F74 HydrophobicContact CG2-CB 4Å; T65-F74 HydrophobicContact CG2-CD1 3.39Å; T65-F74 HydrophobicContact CG2-CD2 3.52Å; T65-F74 HydrophobicContact CG2-CE1 3.7Å; T65-F74 HydrophobicContact CG2-CE2 3.88Å; T65-F74 HydrophobicContact CG2-CG 3.3Å; T65-F74 HydrophobicContact CG2-CZ 3.93Å
66D92.1Very high89.9Confident37 Ų3736.9 Ų36.920%0.19818%0.181CC..EExtended strand (participates in β ladder)trans-56.9146.5165.1-70.8-42.7000111D2 R4 N68 A69D2-D66 HydrophobicContact CB-CB 4.46Å; D2-D66 PolarHBondContact O-N 3.42Å; R4-D66 IonicContact CZ-OD1 3.51Å; R4-D66 IonicContact CZ-OD2 3.39Å; R4-D66 VanDerWaalsContact CZ-OD2 3.22Å; R4-D66 VanDerWaalsContact NE-CG 3.27Å; R4-D66 IonicContact NE-OD1 3.68Å; R4-D66 PolarHBondContact NE-OD1 2.93Å; R4-D66 IonicContact NE-OD2 3.91Å; R4-D66 PolarHBondContact NE-OD2 2.77Å; R4-D66 IonicContact NH2-OD1 3.54Å; R4-D66 PolarHBondContact NH2-OD1 3.31Å; R4-D66 IonicContact NH2-OD2 2.69Å; R4-D66 PolarHBondContact NH2-OD2 3.49Å; D66-N68 PolarHBondContact O-N 2.89Å; D66-N68 VanDerWaalsContact O-N 3.09Å; D66-A69 HydrophobicContact CB-CB 4.43Å; D66-A69 WeakPolarHBondContact O-CB 3.13Å; D66-A69 PolarHBondContact O-N 2.79Å
67R88.8Confident90.1Very high127 Ų12736.9 Ų36.948%0.47918%0.181SC..THydrogen-bonded Turntrans-52.8-35179.8-180176.1-88.2-120-0113.6G47 D48 S50 A69G47-R67 PolarHBondContact O-NE 2.95Å; G47-R67 PolarHBondContact O-NH2 3.11Å; D48-R67 VanDerWaalsContact O-CB 3.31Å; D48-R67 WeakPolarHBondContact O-CB 3.16Å; D48-R67 PolarHBondContact O-N 2.98Å; D48-R67 VanDerWaalsContact O-N 3.08Å; S50-R67 PolarHBondContact OG-O 3.5Å; R67-A69 VanDerWaalsContact C-N 3.34Å
68N86.2Confident90.6Very high157 Ų15735.4 Ų35.484%0.8417%0.171SC*.THydrogen-bonded Turntrans-91.23.6-175.7-60.4-1.1000113.5D66D66-N68 PolarHBondContact O-N 2.89Å; D66-N68 VanDerWaalsContact O-N 3.09Å
69A88.2Confident90.9Very high9 Ų935.4 Ų35.47%0.07417%0.169CC..SBendtrans-68.5150.3-177.700000111.6D2 D66 R67 R71 F74D2-A69 HydrophobicContact CB-CB 3.64Å; D66-A69 HydrophobicContact CB-CB 4.43Å; D66-A69 WeakPolarHBondContact O-CB 3.13Å; D66-A69 PolarHBondContact O-N 2.79Å; R67-A69 VanDerWaalsContact C-N 3.34Å; A69-R71 PolarHBondContact O-N 2.99Å; A69-F74 HydrophobicContact CB-CD2 3.88Å; A69-F74 HydrophobicContact CB-CE2 3.54Å; A69-F74 HydrophobicContact CB-CZ 4.5Å
70S88.2Confident90.8Very high67 Ų6737.7 Ų37.747%0.46918%0.18SC..  trans-63.3111.3-178.6171.80000111.9Q72 K73 F74S70-Q72 VanDerWaalsContact C-N 3.26Å; S70-Q72 PolarHBondContact O-N 2.81Å; S70-K73 PolarHBondContact O-N 3.38Å; S70-K73 PolarHBondContact OG-N 2.75Å; S70-F74 WeakPolarHBondContact O-CD2 3.5Å; S70-F74 PolarHBondContact O-N 3.1Å
71R87.8Confident90.8Very high130 Ų13037.5 Ų37.549%0.49118%0.179SC..Hα-helixtrans-56.2-41.4-178.1174.5178.1178.1-172.20.8112.9Y43 A69 R75Y43-R71 HydrophobicContact CD2-CG 4.14Å; Y43-R71 HydrophobicContact CE2-CG 4.15Å; Y43-R71 HydrophobicContact CG-CG 4.36Å; A69-R71 PolarHBondContact O-N 2.99Å; R71-R75 VanDerWaalsContact O-CB 3.28Å; R71-R75 WeakPolarHBondContact O-CB 3.38Å; R71-R75 PolarHBondContact O-N 3.08Å
72Q86.4Confident90.6Very high77 Ų7737.5 Ų37.536%0.3618%0.179SC..Hα-helixtrans-68-43.6-178.4-174.6171.212.600111.8S70 F74 R75 N76 G123S70-Q72 VanDerWaalsContact C-N 3.26Å; S70-Q72 PolarHBondContact O-N 2.81Å; Q72-F74 VanDerWaalsContact C-N 3.33Å; Q72-F74 PolarHBondContact O-N 2.81Å; Q72-R75 PolarHBondContact O-N 2.99Å; Q72-N76 WeakPolarHBondContact O-CB 3.13Å; Q72-N76 PolarHBondContact O-N 2.83Å; Q72-G123 PolarHBondContact NE2-O 3.47Å
73K88.3Confident90.3Very high73 Ų7340.4 Ų40.432%0.31719%0.189SC..Hα-helixtrans-55.5-48.1177.5-178178.2-179.3173.60111.5S70 N76 L77S70-K73 PolarHBondContact O-N 3.38Å; S70-K73 PolarHBondContact OG-N 2.75Å; K73-N76 PolarHBondContact O-N 2.9Å; K73-L77 PolarHBondContact O-N 3.5Å
74F91.5Very high89.9Confident0 Ų043.4 Ų43.40%021%0.205CC..Hα-helixtrans-78.9-30.4-177.1-67.8-69.2000113.7D2 L3 H52 T65 A69 S70 Q72 L77 V78 M115D2-F74 HydrophobicContact CB-CE2 4.1Å; D2-F74 HydrophobicContact CB-CZ 3.93Å; L3-F74 HydrophobicContact CB-CE1 3.86Å; L3-F74 HydrophobicContact CB-CZ 4.48Å; L3-F74 HydrophobicContact CD1-CD1 4.23Å; L3-F74 HydrophobicContact CD1-CE1 4.2Å; H52-F74 HydrophobicContact CB-CB 4.48Å; T65-F74 HydrophobicContact CG2-CB 4Å; T65-F74 HydrophobicContact CG2-CD1 3.39Å; T65-F74 HydrophobicContact CG2-CD2 3.52Å; T65-F74 HydrophobicContact CG2-CE1 3.7Å; T65-F74 HydrophobicContact CG2-CE2 3.88Å; T65-F74 HydrophobicContact CG2-CG 3.3Å; T65-F74 HydrophobicContact CG2-CZ 3.93Å; A69-F74 HydrophobicContact CB-CD2 3.88Å; A69-F74 HydrophobicContact CB-CE2 3.54Å; A69-F74 HydrophobicContact CB-CZ 4.5Å; S70-F74 WeakPolarHBondContact O-CD2 3.5Å; S70-F74 PolarHBondContact O-N 3.1Å; Q72-F74 VanDerWaalsContact C-N 3.33Å; Q72-F74 PolarHBondContact O-N 2.81Å; F74-L77 HydrophobicContact CD1-CD2 3.98Å; F74-L77 HydrophobicContact CE1-CD2 4.37Å; F74-L77 PolarHBondContact O-N 3.45Å; F74-V78 VanDerWaalsContact O-CG2 3.3Å; F74-V78 WeakPolarHBondContact O-CG2 3.31Å; F74-V78 PolarHBondContact O-N 2.81Å; F74-M115 HydrophobicContact CE1-CE 3.62Å; F74-M115 HydrophobicContact CE1-SD 4.33Å; F74-M115 HydrophobicContact CZ-CE 3.88Å
75R89.6Confident89.6Confident31 Ų3143.4 Ų43.412%0.11721%0.205CC..Hα-helixtrans-60.9-45.7167.4177.9177.5150.8148.5-5.8111.1D41 R71 Q72 L77 V78 V79D41-R75 IonicContact OD2-CZ 2.73Å; D41-R75 IonicContact OD2-NE 3.41Å; D41-R75 IonicContact OD2-NH1 3.42Å; D41-R75 PolarHBondContact OD2-NH1 3.01Å; R71-R75 VanDerWaalsContact O-CB 3.28Å; R71-R75 WeakPolarHBondContact O-CB 3.38Å; R71-R75 PolarHBondContact O-N 3.08Å; Q72-R75 PolarHBondContact O-N 2.99Å; R75-L77 VanDerWaalsContact C-N 3.35Å; R75-L77 PolarHBondContact O-N 3.48Å; R75-V78 PolarHBondContact O-N 3.48Å; R75-V79 WeakPolarHBondContact O-CG2 3.47Å; R75-V79 PolarHBondContact O-N 3.25Å
76N88.9Confident89.4Confident17 Ų1743.5 Ų43.59%0.09121%0.206CC..Hα-helixtrans-62.5-42.5177.1-70.9-10.8000111.5Q72 K73 V78 V79 E80 S120 L130Q72-N76 WeakPolarHBondContact O-CB 3.13Å; Q72-N76 PolarHBondContact O-N 2.83Å; K73-N76 PolarHBondContact O-N 2.9Å; N76-V78 PolarHBondContact O-N 2.83Å; N76-V79 PolarHBondContact O-N 3.36Å; N76-E80 WeakPolarHBondContact O-CB 3.14Å; N76-E80 PolarHBondContact O-N 2.72Å; N76-S120 PolarHBondContact ND2-O 2.85Å; N76-L130 WeakPolarHBondContact OD1-CD2 3.27Å
77L90.6Very high89Confident2 Ų244.1 Ų44.11%0.0121%0.213CC..Hα-helixtrans-56-50.2174.4-179.667.1000111.5L3 F6 K73 F74 R75 V79 E80 V81 L111 L114 M115L3-L77 HydrophobicContact CD1-CD2 4.5Å; L3-L77 HydrophobicContact CD2-CD2 4.01Å; F6-L77 HydrophobicContact CD2-CD2 4.32Å; F6-L77 HydrophobicContact CE2-CD2 4.37Å; F6-L77 HydrophobicContact CE2-CG 4.32Å; K73-L77 PolarHBondContact O-N 3.5Å; F74-L77 HydrophobicContact CD1-CD2 3.98Å; F74-L77 HydrophobicContact CE1-CD2 4.37Å; F74-L77 PolarHBondContact O-N 3.45Å; R75-L77 VanDerWaalsContact C-N 3.35Å; R75-L77 PolarHBondContact O-N 3.48Å; L77-V79 VanDerWaalsContact C-N 3.33Å; L77-V79 PolarHBondContact O-N 2.71Å; L77-E80 PolarHBondContact O-N 2.68Å; L77-V81 HydrophobicContact CD1-CG2 4.2Å; L77-V81 HydrophobicContact CG-CG2 4.41Å; L77-V81 WeakPolarHBondContact O-CB 3.24Å; L77-V81 VanDerWaalsContact O-CG2 3.26Å; L77-V81 WeakPolarHBondContact O-CG2 3.35Å; L77-V81 PolarHBondContact O-N 3.41Å; L77-L111 HydrophobicContact CD1-CD2 4.35Å; L77-L114 HydrophobicContact CD1-CB 3.79Å; L77-M115 HydrophobicContact CD1-CG 3.67Å; L77-M115 HydrophobicContact CD2-CG 3.72Å; L77-M115 HydrophobicContact CD2-SD 4.12Å; L77-M115 HydrophobicContact CG-CG 4.26Å
78V93.2Very high88.8Confident3 Ų340.6 Ų40.62%0.01820%0.204CC..Hα-helixtrans-60.2-43.3-179.71690000111.4F6 H52 L54 F61 A63 F74 R75 N76 S82F6-V78 HydrophobicContact CE2-CG2 3.86Å; F6-V78 HydrophobicContact CZ-CG2 4.32Å; H52-V78 HydrophobicContact CB-CG2 4.05Å; L54-V78 HydrophobicContact CB-CG1 3.33Å; L54-V78 HydrophobicContact CD2-CG1 4.26Å; L54-V78 HydrophobicContact CG-CG1 4.44Å; F61-V78 HydrophobicContact CB-CG1 3.8Å; F61-V78 WeakPolarHBondContact O-CG1 3.29Å; A63-V78 HydrophobicContact CB-CG2 3.64Å; F74-V78 VanDerWaalsContact O-CG2 3.3Å; F74-V78 WeakPolarHBondContact O-CG2 3.31Å; F74-V78 PolarHBondContact O-N 2.81Å; R75-V78 PolarHBondContact O-N 3.48Å; N76-V78 PolarHBondContact O-N 2.83Å; V78-S82 WeakPolarHBondContact O-CB 3.31Å; V78-S82 PolarHBondContact O-N 2.87Å; V78-S82 PolarHBondContact O-OG 2.84Å
79V90.3Very high88.6Confident10 Ų1033.8 Ų33.86%0.06117%0.171CC..Hα-helixtrans-62.2-47.2176.1171.30000111.2L54 R75 N76 L77 S82 R83 N133 V134 V137L54-V79 HydrophobicContact CD2-CG2 4.01Å; R75-V79 WeakPolarHBondContact O-CG2 3.47Å; R75-V79 PolarHBondContact O-N 3.25Å; N76-V79 PolarHBondContact O-N 3.36Å; L77-V79 VanDerWaalsContact C-N 3.33Å; L77-V79 PolarHBondContact O-N 2.71Å; V79-S82 WeakPolarHBondContact CA-OG 2.88Å; V79-S82 PolarHBondContact O-N 3.34Å; V79-S82 PolarHBondContact O-OG 3.28Å; V79-R83 PolarHBondContact O-N 2.76Å; V79-N133 HydrophobicContact CG1-CB 4.12Å; V79-V134 HydrophobicContact CG2-CG2 4.32Å; V79-V137 HydrophobicContact CG1-CG2 4.05Å
80E88.9Confident88.4Confident48 Ų4838 Ų3822%0.22420%0.196CC..Hα-helixtrans-65.3-42.9-178.2-167.161.8-152.200111.8N76 L77 S82 R83 N84 L114N76-E80 WeakPolarHBondContact O-CB 3.14Å; N76-E80 PolarHBondContact O-N 2.72Å; L77-E80 PolarHBondContact O-N 2.68Å; E80-S82 VanDerWaalsContact C-N 3.33Å; E80-S82 PolarHBondContact O-N 3.41Å; E80-R83 PolarHBondContact O-N 3Å; E80-R83 IonicContact OE2-NH1 3.18Å; E80-R83 PolarHBondContact OE2-NH1 3.21Å; E80-N84 WeakPolarHBondContact O-CB 3.38Å; E80-N84 PolarHBondContact O-N 2.71Å; E80-L114 HydrophobicContact CG-CD2 3.88Å
81V92Very high88.3Confident0 Ų037.2 Ų37.20%018%0.183CC..Hα-helixtrans-61.4-44.11741750000110.7F6 I8 F61 L77 R83 N84 F85 L109 L111 L114F6-V81 HydrophobicContact CE1-CB 4.28Å; F6-V81 HydrophobicContact CE1-CG1 3.66Å; F6-V81 HydrophobicContact CE2-CB 4.44Å; F6-V81 HydrophobicContact CE2-CG2 4.19Å; F6-V81 HydrophobicContact CZ-CB 3.71Å; F6-V81 HydrophobicContact CZ-CG1 3.63Å; F6-V81 HydrophobicContact CZ-CG2 3.9Å; I8-V81 HydrophobicContact CD1-CG1 4.22Å; F61-V81 HydrophobicContact CD1-CG1 4.06Å; F61-V81 HydrophobicContact CE1-CG1 4.43Å; L77-V81 HydrophobicContact CD1-CG2 4.2Å; L77-V81 HydrophobicContact CG-CG2 4.41Å; L77-V81 WeakPolarHBondContact O-CB 3.24Å; L77-V81 VanDerWaalsContact O-CG2 3.26Å; L77-V81 WeakPolarHBondContact O-CG2 3.35Å; L77-V81 PolarHBondContact O-N 3.41Å; V81-R83 VanDerWaalsContact C-N 3.35Å; V81-R83 PolarHBondContact O-N 3.48Å; V81-N84 PolarHBondContact O-N 3.4Å; V81-F85 WeakPolarHBondContact O-CB 3.47Å; V81-F85 PolarHBondContact O-N 3.28Å; V81-L109 HydrophobicContact CB-CD2 4.34Å; V81-L109 HydrophobicContact CG1-CD2 3.57Å; V81-L109 HydrophobicContact CG2-CD2 3.82Å; V81-L111 HydrophobicContact CG2-CD2 3.85Å; V81-L114 HydrophobicContact CG2-CD1 3.67Å
82S91.7Very high88.2Confident0 Ų032 Ų320%016%0.164CC..Hα-helixtrans-61.5-42.9178.673.30000112.1L54 V78 V79 E80 F85 L86 V137L54-S82 WeakPolarHBondContact CD2-OG 3.38Å; V78-S82 WeakPolarHBondContact O-CB 3.31Å; V78-S82 PolarHBondContact O-N 2.87Å; V78-S82 PolarHBondContact O-OG 2.84Å; V79-S82 WeakPolarHBondContact CA-OG 2.88Å; V79-S82 PolarHBondContact O-N 3.34Å; V79-S82 PolarHBondContact O-OG 3.28Å; E80-S82 VanDerWaalsContact C-N 3.33Å; E80-S82 PolarHBondContact O-N 3.41Å; S82-F85 PolarHBondContact O-N 3.43Å; S82-L86 VanDerWaalsContact O-CB 3.22Å; S82-L86 WeakPolarHBondContact O-CB 3.36Å; S82-L86 WeakPolarHBondContact O-CD1 3.42Å; S82-L86 WeakPolarHBondContact O-CG 3.3Å; S82-L86 PolarHBondContact O-N 3.31Å; S82-V137 WeakPolarHBondContact OG-CG1 3.38Å; S82-V137 WeakPolarHBondContact OG-CG2 3.46Å
83R87.6Confident88.1Confident60 Ų6032 Ų3223%0.22616%0.163CC..Hα-helixtrans-61.9-50.5176.2-174.7-173.9-68.4147.8-7.4111.5V79 E80 V81 F85 L86 S87 V137 V140V79-R83 PolarHBondContact O-N 2.76Å; E80-R83 PolarHBondContact O-N 3Å; E80-R83 IonicContact OE2-NH1 3.18Å; E80-R83 PolarHBondContact OE2-NH1 3.21Å; V81-R83 VanDerWaalsContact C-N 3.35Å; V81-R83 PolarHBondContact O-N 3.48Å; R83-F85 PolarHBondContact O-N 3.44Å; R83-L86 PolarHBondContact O-N 2.91Å; R83-S87 WeakPolarHBondContact O-CB 3.48Å; R83-S87 PolarHBondContact O-N 3.08Å; R83-S87 PolarHBondContact O-OG 3.49Å; R83-V137 HydrophobicContact CB-CG2 4.36Å; R83-V140 HydrophobicContact CG-CG2 4.23Å
84N87.5Confident88Confident63 Ų6334.3 Ų34.334%0.33717%0.17SC..Hα-helixtrans-62.9-32.1178.3177.254000112.5E80 V81 S87 R91 Y107 L109E80-N84 WeakPolarHBondContact O-CB 3.38Å; E80-N84 PolarHBondContact O-N 2.71Å; V81-N84 PolarHBondContact O-N 3.4Å; N84-S87 PolarHBondContact O-OG 3.38Å; N84-R91 PolarHBondContact O-NH1 3.15Å; N84-Y107 PolarHBondContact ND2-OH 2.9Å; N84-L109 WeakPolarHBondContact ND2-CD1 3.15Å
85F90.4Very high87.8Confident0 Ų034.3 Ų34.30%017%0.17CC..Hα-helixtrans-74.6-46178.1-170.2-87.1000112.1I8 L59 F61 V81 S82 R83 R91 A95 L103 Y107I8-F85 HydrophobicContact CD1-CD2 3.41Å; I8-F85 VanDerWaalsContact CD1-CD2 3.41Å; I8-F85 HydrophobicContact CD1-CE2 3.61Å; I8-F85 HydrophobicContact CD1-CG 4.14Å; I8-F85 HydrophobicContact CD1-CZ 4.49Å; I8-F85 HydrophobicContact CG2-CD2 4.48Å; I8-F85 HydrophobicContact CG2-CE1 4.23Å; I8-F85 HydrophobicContact CG2-CE2 4.08Å; I8-F85 HydrophobicContact CG2-CZ 3.92Å; L59-F85 HydrophobicContact CD1-CD1 4.24Å; L59-F85 HydrophobicContact CD1-CE1 3.7Å; F61-F85 HydrophobicContact CE1-CB 3.56Å; F61-F85 AromaticContact CE1-CD1 3.95Å; F61-F85 HydrophobicContact CE1-CD1 3.95Å; F61-F85 HydrophobicContact CE1-CD2 4.38Å; F61-F85 AromaticContact CE1-CG 3.71Å; F61-F85 HydrophobicContact CE1-CG 3.71Å; F61-F85 HydrophobicContact CZ-CB 3.87Å; F61-F85 AromaticContact CZ-CD1 3.72Å; F61-F85 HydrophobicContact CZ-CD1 3.72Å; F61-F85 AromaticContact CZ-CG 3.95Å; F61-F85 HydrophobicContact CZ-CG 3.95Å; V81-F85 WeakPolarHBondContact O-CB 3.47Å; V81-F85 PolarHBondContact O-N 3.28Å; S82-F85 PolarHBondContact O-N 3.43Å; R83-F85 PolarHBondContact O-N 3.44Å; F85-R91 VanDerWaalsContact CD2-CD 3.4Å; F85-R91 HydrophobicContact CD2-CG 4.15Å; F85-R91 HydrophobicContact CE1-CG 4.09Å; F85-R91 HydrophobicContact CE2-CG 3.67Å; F85-R91 HydrophobicContact CZ-CG 3.65Å; F85-A95 HydrophobicContact CE1-CB 3.78Å; F85-A95 HydrophobicContact CZ-CB 3.71Å; F85-L103 HydrophobicContact CE2-CD1 3.88Å; F85-L103 HydrophobicContact CZ-CD1 3.49Å; F85-L103 VanDerWaalsContact CZ-CD1 3.49Å; F85-Y107 HydrophobicContact CD2-CD1 4.08Å; F85-Y107 HydrophobicContact CD2-CD2 4.45Å; F85-Y107 AromaticContact CD2-CE1 3.65Å; F85-Y107 HydrophobicContact CD2-CE1 3.65Å; F85-Y107 HydrophobicContact CD2-CE2 4.08Å; F85-Y107 HydrophobicContact CD2-CG 4.45Å; F85-Y107 AromaticContact CD2-CZ 3.64Å; F85-Y107 HydrophobicContact CE2-CD1 4.01Å; F85-Y107 HydrophobicContact CE2-CE1 4.06Å; F85-Y107 HydrophobicContact CE2-CG 4.27Å
86L88.1Confident87.7Confident2 Ų236.1 Ų36.11%0.0118%0.179CC..Hα-helixtrans-82-13.1-173.9-64.5171.5000113.6V56 L59 F61 S82 R83 D88 F92 V137V56-L86 HydrophobicContact CB-CD1 4.01Å; V56-L86 HydrophobicContact CG1-CD1 3.93Å; L59-L86 HydrophobicContact CD1-CD2 3.97Å; F61-L86 HydrophobicContact CE2-CD1 4.11Å; F61-L86 HydrophobicContact CE2-CG 4.34Å; F61-L86 HydrophobicContact CZ-CD1 4.31Å; F61-L86 HydrophobicContact CZ-CD2 4.34Å; F61-L86 HydrophobicContact CZ-CG 4.06Å; S82-L86 VanDerWaalsContact O-CB 3.22Å; S82-L86 WeakPolarHBondContact O-CB 3.36Å; S82-L86 WeakPolarHBondContact O-CD1 3.42Å; S82-L86 WeakPolarHBondContact O-CG 3.3Å; S82-L86 PolarHBondContact O-N 3.31Å; R83-L86 PolarHBondContact O-N 2.91Å; L86-D88 PolarHBondContact O-N 2.71Å; L86-F92 HydrophobicContact CD2-CD2 3.44Å; L86-F92 VanDerWaalsContact CD2-CD2 3.44Å; L86-F92 HydrophobicContact CD2-CE2 4.1Å; L86-F92 HydrophobicContact CD2-CG 4.38Å; L86-V137 HydrophobicContact CD1-CG1 3.42Å; L86-V137 VanDerWaalsContact CD1-CG1 3.42Å
87S85.7Confident87.5Confident51 Ų5139.7 Ų39.736%0.35721%0.205SC..THydrogen-bonded Turntrans-65.1-18170.662.30000113.2R83 N84 N144R83-S87 WeakPolarHBondContact O-CB 3.48Å; R83-S87 PolarHBondContact O-N 3.08Å; R83-S87 PolarHBondContact O-OG 3.49Å; N84-S87 PolarHBondContact O-OG 3.38Å; S87-N144 PolarHBondContact O-ND2 2.8Å; S87-N144 VanDerWaalsContact O-ND2 3.08Å
88D83.9Confident87.1Confident52 Ų5240.3 Ų40.328%0.27821%0.212SC..  trans-104.6102175.8-179.7-15.2000110.2L86 T90 R91 F92L86-D88 PolarHBondContact O-N 2.71Å; D88-T90 VanDerWaalsContact C-N 3.26Å; D88-T90 PolarHBondContact O-N 3.3Å; D88-T90 WeakPolarHBondContact OD1-CB 3.43Å; D88-T90 PolarHBondContact OD1-N 3.25Å; D88-R91 HydrophobicContact CB-CB 3.81Å; D88-R91 WeakPolarHBondContact O-CB 3.43Å; D88-R91 PolarHBondContact O-N 3.41Å; D88-R91 VanDerWaalsContact O-N 3.16Å; D88-R91 PolarHBondContact OD1-N 2.8Å; D88-R91 IonicContact OD2-CZ 3.22Å; D88-R91 IonicContact OD2-NE 2.68Å; D88-R91 PolarHBondContact OD2-NE 3.15Å; D88-R91 IonicContact OD2-NH2 2.8Å; D88-R91 PolarHBondContact OD2-NH2 2.67Å; D88-F92 PolarHBondContact O-N 3.14Å
89G82.2Confident86.8Confident15 Ų1541.8 Ų41.816%0.15523%0.228CC..Hα-helixtrans-61-30.6179.900000114Q93G89-Q93 PolarHBondContact O-N 3.32Å; G89-Q93 VanDerWaalsContact O-N 3.07Å
90T82.5Confident86.8Confident97 Ų9746.4 Ų46.460%0.59525%0.247SC*.Hα-helixtrans-69.5-42.8176.6-59.30000110.2D88 Q93 R94D88-T90 VanDerWaalsContact C-N 3.26Å; D88-T90 PolarHBondContact O-N 3.3Å; D88-T90 WeakPolarHBondContact OD1-CB 3.43Å; D88-T90 PolarHBondContact OD1-N 3.25Å; T90-Q93 PolarHBondContact O-N 2.68Å; T90-R94 WeakPolarHBondContact O-CB 3.17Å; T90-R94 WeakPolarHBondContact O-CG 3.25Å; T90-R94 PolarHBondContact O-N 3.08Å
91R86Confident86.8Confident50 Ų5046.7 Ų46.719%0.18925%0.25CS..Hα-helixtrans-64.6-43.6176.5-168.1-174.4-51.6146.511.1111.8N84 F85 D88 Q93 R94 A95 L103 Y107N84-R91 PolarHBondContact O-NH1 3.15Å; F85-R91 VanDerWaalsContact CD2-CD 3.4Å; F85-R91 HydrophobicContact CD2-CG 4.15Å; F85-R91 HydrophobicContact CE1-CG 4.09Å; F85-R91 HydrophobicContact CE2-CG 3.67Å; F85-R91 HydrophobicContact CZ-CG 3.65Å; D88-R91 HydrophobicContact CB-CB 3.81Å; D88-R91 WeakPolarHBondContact O-CB 3.43Å; D88-R91 PolarHBondContact O-N 3.41Å; D88-R91 VanDerWaalsContact O-N 3.16Å; D88-R91 PolarHBondContact OD1-N 2.8Å; D88-R91 IonicContact OD2-CZ 3.22Å; D88-R91 IonicContact OD2-NE 2.68Å; D88-R91 PolarHBondContact OD2-NE 3.15Å; D88-R91 IonicContact OD2-NH2 2.8Å; D88-R91 PolarHBondContact OD2-NH2 2.67Å; R91-Q93 VanDerWaalsContact C-N 3.34Å; R91-Q93 PolarHBondContact O-N 2.95Å; R91-R94 PolarHBondContact O-N 3.4Å; R91-A95 WeakPolarHBondContact O-CB 3.1Å; R91-A95 PolarHBondContact O-N 3.24Å; R91-L103 HydrophobicContact CG-CD1 4.19Å; R91-Y107 VanDerWaalsContact NH1-CE2 3.31Å
92F86Confident86.5Confident22 Ų2248.8 Ų48.810%0.09627%0.265CS..Hα-helixtrans-54.2-51.1173.8171.5-99.3000111.3L59 L86 D88 R94 A95 K96 M141L59-F92 HydrophobicContact CD1-CD2 3.57Å; L59-F92 HydrophobicContact CD1-CE2 3.89Å; L59-F92 HydrophobicContact CG-CD2 4.3Å; L59-F92 HydrophobicContact CG-CE2 4.11Å; L86-F92 HydrophobicContact CD2-CD2 3.44Å; L86-F92 VanDerWaalsContact CD2-CD2 3.44Å; L86-F92 HydrophobicContact CD2-CE2 4.1Å; L86-F92 HydrophobicContact CD2-CG 4.38Å; D88-F92 PolarHBondContact O-N 3.14Å; F92-R94 PolarHBondContact O-N 3.36Å; F92-A95 WeakPolarHBondContact O-CB 3.37Å; F92-A95 PolarHBondContact O-N 2.87Å; F92-K96 WeakPolarHBondContact O-CB 3.45Å; F92-K96 PolarHBondContact O-N 2.92Å; F92-M141 HydrophobicContact CD1-CE 4.41Å; F92-M141 HydrophobicContact CD2-SD 4.42Å; F92-M141 HydrophobicContact CE1-CE 3.59Å; F92-M141 HydrophobicContact CE2-CE 3.79Å; F92-M141 HydrophobicContact CE2-SD 3.85Å; F92-M141 HydrophobicContact CZ-CE 3.22Å; F92-M141 HydrophobicContact CZ-SD 3.94Å
93Q84.1Confident86.4Confident75 Ų7548.9 Ų48.935%0.3527%0.265SS..Hα-helixtrans-65.4-40.9-177.7-17162.64.900112.3G89 T90 R91 A95 K96 S97G89-Q93 PolarHBondContact O-N 3.32Å; G89-Q93 VanDerWaalsContact O-N 3.07Å; T90-Q93 PolarHBondContact O-N 2.68Å; R91-Q93 VanDerWaalsContact C-N 3.34Å; R91-Q93 PolarHBondContact O-N 2.95Å; Q93-A95 VanDerWaalsContact C-N 3.3Å; Q93-A95 PolarHBondContact O-N 3.26Å; Q93-K96 PolarHBondContact O-N 3.21Å; Q93-S97 WeakPolarHBondContact O-CB 3.27Å; Q93-S97 PolarHBondContact O-N 2.95Å; Q93-S97 PolarHBondContact O-OG 2.91Å
94R86.7Confident86.5Confident122 Ų12249.3 Ų49.346%0.4627%0.27SS..Hα-helixtrans-63.2-35.1174.4-73.7-17967179.9-2.4112.7T90 R91 F92 G98 L103 S106T90-R94 WeakPolarHBondContact O-CB 3.17Å; T90-R94 WeakPolarHBondContact O-CG 3.25Å; T90-R94 PolarHBondContact O-N 3.08Å; R91-R94 PolarHBondContact O-N 3.4Å; F92-R94 PolarHBondContact O-N 3.36Å; R94-G98 WeakPolarHBondContact O-CA 3.44Å; R94-G98 PolarHBondContact O-N 3.03Å; R94-L103 HydrophobicContact CB-CD2 3.99Å; R94-S106 PolarHBondContact NH2-OG 3.45Å
95A88.3Confident86.3Confident0 Ų055.8 Ų55.80%030%0.298CS..Hα-helixtrans-68.8-48173.800000111.2N10 V15 L59 F85 R91 F92 Q93 S97 G98 L103N10-A95 WeakPolarHBondContact CB-O 3.4Å; N10-A95 PolarHBondContact ND2-O 2.77Å; V15-A95 HydrophobicContact CG2-CB 4.18Å; L59-A95 HydrophobicContact CD1-CB 3.77Å; L59-A95 HydrophobicContact CD2-CB 3.84Å; F85-A95 HydrophobicContact CE1-CB 3.78Å; F85-A95 HydrophobicContact CZ-CB 3.71Å; R91-A95 WeakPolarHBondContact O-CB 3.1Å; R91-A95 PolarHBondContact O-N 3.24Å; F92-A95 WeakPolarHBondContact O-CB 3.37Å; F92-A95 PolarHBondContact O-N 2.87Å; Q93-A95 VanDerWaalsContact C-N 3.3Å; Q93-A95 PolarHBondContact O-N 3.26Å; A95-S97 VanDerWaalsContact C-N 3.35Å; A95-S97 PolarHBondContact O-N 2.65Å; A95-G98 PolarHBondContact O-N 2.68Å; A95-L103 HydrophobicContact CB-CD1 3.81Å
96K87.1Confident85.9Confident70 Ų7058.8 Ų58.830%0.30432%0.319SS..Hα-helixtrans-63.5-40.3-176-168.770.4-176.7-178.40112.3E11 S57 G58 L59 F92 Q93E11-K96 IonicContact OE1-NZ 3.21Å; E11-K96 PolarHBondContact OE1-NZ 3.4Å; S57-K96 PolarHBondContact O-NZ 3.28Å; G58-K96 VanDerWaalsContact CA-NZ 3.35Å; G58-K96 PolarHBondContact O-NZ 3.37Å; L59-K96 HydrophobicContact CD2-CD 4.42Å; F92-K96 WeakPolarHBondContact O-CB 3.45Å; F92-K96 PolarHBondContact O-N 2.92Å; Q93-K96 PolarHBondContact O-N 3.21Å
97S84.8Confident85.8Confident91 Ų9159.2 Ų59.264%0.63632%0.32SS*.Hα-helixtrans-93.4-6.6-179.960.80000114.3Q93 A95Q93-S97 WeakPolarHBondContact O-CB 3.27Å; Q93-S97 PolarHBondContact O-N 2.95Å; Q93-S97 PolarHBondContact O-OG 2.91Å; A95-S97 VanDerWaalsContact C-N 3.35Å; A95-S97 PolarHBondContact O-N 2.65Å
98G81.8Confident85.6Confident15 Ų1562.2 Ų62.216%0.15534%0.341CS..  trans-80.3161.3-171.200000114.8N10 R94 A95N10-G98 PolarHBondContact ND2-O 3.3Å; R94-G98 WeakPolarHBondContact O-CA 3.44Å; R94-G98 PolarHBondContact O-N 3.03Å; A95-G98 PolarHBondContact O-N 2.68Å
99G86.6Confident85.7Confident34 Ų3460.2 Ų60.235%0.35133%0.331SS..  trans-91.7-170.1170.100000113.1D101 C102G99-D101 PolarHBondContact O-N 3.12Å; G99-C102 WeakPolarHBondContact O-CB 3.21Å; G99-C102 PolarHBondContact O-N 3.31Å; G99-C102 PolarHBondContact O-SG 3.13Å; G99-C102 VanDerWaalsContact O-SG 3.39Å
100K90.8Very high85.7Confident107 Ų10763.1 Ų63.147%0.46534%0.343SS..THydrogen-bonded Turntrans-54132.5173.2178167.7179.51640111I14 E26 C102I14-K100 CarbonylContact O-C 3.59Å; I14-K100 WeakPolarHBondContact O-CA 3.47Å; E26-K100 VanDerWaalsContact CD-NZ 3.31Å; E26-K100 IonicContact OE1-NZ 2.77Å; E26-K100 PolarHBondContact OE1-NZ 3.04Å; E26-K100 IonicContact OE2-NZ 2.79Å; E26-K100 PolarHBondContact OE2-NZ 3.3Å; E26-K100 VanDerWaalsContact OE2-NZ 3.15Å; K100-C102 PolarHBondContact O-N 2.86Å
101D88.4Confident85.8Confident54 Ų5458.5 Ų58.529%0.28931%0.314SS..THydrogen-bonded Turntrans59.115.8174-51.7-30.9000115.3I14 V15 Y17 G99 L103 Q104I14-D101 PolarHBondContact O-N 3.18Å; V15-D101 CarbonylContact O-C 3.54Å; V15-D101 VanDerWaalsContact O-C 3.31Å; V15-D101 WeakPolarHBondContact O-CA 3.47Å; Y17-D101 WeakPolarHBondContact CE1-OD1 3.38Å; G99-D101 PolarHBondContact O-N 3.12Å; D101-L103 PolarHBondContact O-N 3.09Å; D101-Q104 HydrophobicContact CB-CB 4.04Å; D101-Q104 VanDerWaalsContact O-CB 3.23Å; D101-Q104 WeakPolarHBondContact O-CB 3.16Å; D101-Q104 PolarHBondContact O-N 3.29Å
102C86.9Confident85.4Confident45 Ų4558.8 Ų58.830%0.30432%0.318SS..THydrogen-bonded Turntrans-62.9-19-173.169.20000114.7V15 G99 K100V15-C102 PolarHBondContact O-N 2.78Å; G99-C102 WeakPolarHBondContact O-CB 3.21Å; G99-C102 PolarHBondContact O-N 3.31Å; G99-C102 PolarHBondContact O-SG 3.13Å; G99-C102 VanDerWaalsContact O-SG 3.39Å; K100-C102 PolarHBondContact O-N 2.86Å
103L89.7Confident85.1Confident2 Ų263.7 Ų63.71%0.0134%0.341CS..THydrogen-bonded Turntrans-109.4-0.8177.5-66178.4000112.9V15 W16 F85 R91 R94 A95 D101 Q105 S106 Y107V15-L103 HydrophobicContact CB-CD1 4.47Å; V15-L103 HydrophobicContact CG2-CD1 4.25Å; V15-L103 WeakPolarHBondContact O-CB 3.32Å; V15-L103 PolarHBondContact O-N 3.49Å; W16-L103 HydrophobicContact CB-CB 4.2Å; F85-L103 HydrophobicContact CE2-CD1 3.88Å; F85-L103 HydrophobicContact CZ-CD1 3.49Å; F85-L103 VanDerWaalsContact CZ-CD1 3.49Å; R91-L103 HydrophobicContact CG-CD1 4.19Å; R94-L103 HydrophobicContact CB-CD2 3.99Å; A95-L103 HydrophobicContact CB-CD1 3.81Å; D101-L103 PolarHBondContact O-N 3.09Å; L103-Q105 PolarHBondContact O-N 3.46Å; L103-Q105 VanDerWaalsContact O-N 3.12Å; L103-S106 WeakPolarHBondContact CD2-OG 3.27Å; L103-S106 PolarHBondContact O-N 3.01Å; L103-Y107 WeakPolarHBondContact O-CB 3.22Å; L103-Y107 PolarHBondContact O-N 3.09Å
104Q88.3Confident84.9Confident69 Ų6961.6 Ų61.632%0.32233%0.332SS..THydrogen-bonded Turntrans-55.9-35.9-173.4-167.362.323.900113.2Y17 D101Y17-Q104 PolarHBondContact O-NE2 2.93Å; Y17-Q104 PolarHBondContact O-OE1 3.42Å; D101-Q104 HydrophobicContact CB-CB 4.04Å; D101-Q104 VanDerWaalsContact O-CB 3.23Å; D101-Q104 WeakPolarHBondContact O-CB 3.16Å; D101-Q104 PolarHBondContact O-N 3.29Å
105Q83.5Confident84.4Confident199 Ų19956.7 Ų56.793%0.9331%0.314SS*.THydrogen-bonded Turntrans-94.4-29.2179.7-66.2-179.8-26.500113.6L103L103-Q105 PolarHBondContact O-N 3.46Å; L103-Q105 VanDerWaalsContact O-N 3.12Å
106S83.5Confident83.8Confident63 Ų6364.5 Ų64.544%0.44135%0.351SS..THydrogen-bonded Turntrans-92.4-22.4-173.560.20000113.9R94 L103R94-S106 PolarHBondContact NH2-OG 3.45Å; L103-S106 WeakPolarHBondContact CD2-OG 3.27Å; L103-S106 PolarHBondContact O-N 3.01Å
107Y85.6Confident82.8Confident10 Ų1062.6 Ų62.64%0.03935%0.347CS..  trans-103107.5177.4-176.2-123.7000109.9I8 W16 N84 F85 R91 L103 L109I8-Y107 HydrophobicContact CD1-CD1 4.15Å; I8-Y107 HydrophobicContact CD1-CE1 3.61Å; W16-Y107 AromaticContact CD1-CD1 3.81Å; W16-Y107 AromaticContact CD2-CD1 3.93Å; W16-Y107 HydrophobicContact CD2-CD1 3.93Å; W16-Y107 HydrophobicContact CD2-CE1 4.42Å; W16-Y107 AromaticContact CE2-CD1 3.86Å; W16-Y107 AromaticContact CG-CD1 3.91Å; W16-Y107 HydrophobicContact CG-CD1 3.91Å; W16-Y107 HydrophobicContact CZ2-CD1 4.48Å; W16-Y107 AromaticContact NE1-CD1 3.76Å; W16-Y107 PolarHBondContact NE1-O 2.96Å; N84-Y107 PolarHBondContact ND2-OH 2.9Å; F85-Y107 HydrophobicContact CD2-CD1 4.08Å; F85-Y107 HydrophobicContact CD2-CD2 4.45Å; F85-Y107 AromaticContact CD2-CE1 3.65Å; F85-Y107 HydrophobicContact CD2-CE1 3.65Å; F85-Y107 HydrophobicContact CD2-CE2 4.08Å; F85-Y107 HydrophobicContact CD2-CG 4.45Å; F85-Y107 AromaticContact CD2-CZ 3.64Å; F85-Y107 HydrophobicContact CE2-CD1 4.01Å; F85-Y107 HydrophobicContact CE2-CE1 4.06Å; F85-Y107 HydrophobicContact CE2-CG 4.27Å; R91-Y107 VanDerWaalsContact NH1-CE2 3.31Å; L103-Y107 WeakPolarHBondContact O-CB 3.22Å; L103-Y107 PolarHBondContact O-N 3.09Å; Y107-L109 HydrophobicContact CD1-CB 4.36Å; Y107-L109 HydrophobicContact CE1-CB 3.7Å; Y107-L109 HydrophobicContact CE1-CD2 3.93Å; Y107-L109 HydrophobicContact CE1-CG 4.28Å; Y107-L109 VanDerWaalsContact OH-CD1 3.3Å; Y107-L109 WeakPolarHBondContact OH-CD1 3.24Å
108S81.9Confident81.3Confident114 Ų11462 Ų6280%0.79734%0.341SS*.  trans-96.1122.7169.550.90000109.1
109L84.9Confident80.1Confident11 Ų1165.8 Ų65.86%0.05836%0.357CS..  trans-129.5125.5175.1-174.865.3000108.8W16 R18 V81 N84 Y107 L111 L114W16-L109 HydrophobicContact CH2-CB 4.06Å; W16-L109 HydrophobicContact CH2-CD2 4.06Å; W16-L109 HydrophobicContact CZ2-CB 3.93Å; W16-L109 HydrophobicContact CZ3-CD2 4.38Å; R18-L109 PolarHBondContact NH1-O 2.97Å; V81-L109 HydrophobicContact CB-CD2 4.34Å; V81-L109 HydrophobicContact CG1-CD2 3.57Å; V81-L109 HydrophobicContact CG2-CD2 3.82Å; N84-L109 WeakPolarHBondContact ND2-CD1 3.15Å; Y107-L109 HydrophobicContact CD1-CB 4.36Å; Y107-L109 HydrophobicContact CE1-CB 3.7Å; Y107-L109 HydrophobicContact CE1-CD2 3.93Å; Y107-L109 HydrophobicContact CE1-CG 4.28Å; Y107-L109 VanDerWaalsContact OH-CD1 3.3Å; Y107-L109 WeakPolarHBondContact OH-CD1 3.24Å; L109-L111 HydrophobicContact CD2-CD2 3.59Å; L109-L111 HydrophobicContact CD2-CG 4.01Å; L109-L111 HydrophobicContact CG-CD2 4.25Å; L109-L111 HydrophobicContact CG-CG 4.29Å; L109-L111 PolarHBondContact O-N 3.36Å; L109-L114 HydrophobicContact CD1-CD1 3.46Å; L109-L114 VanDerWaalsContact CD1-CD1 3.46Å; L109-L114 HydrophobicContact CD2-CD1 4.4Å; L109-L114 HydrophobicContact CG-CD1 4.11Å
110N82Confident78.4Confident75 Ų7564.7 Ų64.740%0.40134%0.344SS..  trans-89.789.2172.1-162.97.3000108.7E112 E113 L114N110-E112 PolarHBondContact O-N 3.26Å; N110-E112 PolarHBondContact OD1-OE2 2.77Å; N110-E113 HydrophobicContact CB-CB 3.98Å; N110-E113 WeakPolarHBondContact ND2-CB 3.46Å; N110-E113 PolarHBondContact ND2-OE2 2.71Å; N110-E113 PolarHBondContact O-N 2.89Å; N110-L114 PolarHBondContact O-N 2.72Å
111L84.2Confident76.3Confident0 Ų064.4 Ų64.40%036%0.356CS..Hα-helixtrans-65.2-33.9-177.9-78.1170.3000111.1L3 F6 W16 R18 F20 L77 V81 L109 L114 M115L3-L111 HydrophobicContact CD2-CD1 4.25Å; F6-L111 HydrophobicContact CB-CD1 3.69Å; F6-L111 HydrophobicContact CD2-CD2 4.07Å; F6-L111 HydrophobicContact CE2-CD2 4.43Å; F6-L111 HydrophobicContact CG-CD1 4.14Å; F6-L111 HydrophobicContact CG-CD2 4.14Å; W16-L111 HydrophobicContact CH2-CD1 3.96Å; W16-L111 HydrophobicContact CH2-CG 4.37Å; W16-L111 HydrophobicContact CZ3-CD1 4.42Å; R18-L111 HydrophobicContact CB-CD1 4.03Å; R18-L111 HydrophobicContact CG-CD1 4.4Å; F20-L111 HydrophobicContact CE2-CD1 3.77Å; F20-L111 HydrophobicContact CZ-CB 4.13Å; F20-L111 HydrophobicContact CZ-CD1 3.71Å; L77-L111 HydrophobicContact CD1-CD2 4.35Å; V81-L111 HydrophobicContact CG2-CD2 3.85Å; L109-L111 HydrophobicContact CD2-CD2 3.59Å; L109-L111 HydrophobicContact CD2-CG 4.01Å; L109-L111 HydrophobicContact CG-CD2 4.25Å; L109-L111 HydrophobicContact CG-CG 4.29Å; L109-L111 PolarHBondContact O-N 3.36Å; L111-L114 PolarHBondContact O-N 2.75Å; L111-M115 WeakPolarHBondContact O-CB 3.35Å; L111-M115 WeakPolarHBondContact O-CG 3.37Å; L111-M115 PolarHBondContact O-N 2.8Å
112E79.1Confident74.3Confident57 Ų5769.4 Ų69.427%0.26638%0.375SS..Hα-helixtrans-59.8-47.1177.4-64.985.9163.200111.1M1 R18 F20 N110 L114 M115 E116M1-E112 HydrophobicContact CE-CG 4.2Å; R18-E112 IonicContact CZ-OE1 2.67Å; R18-E112 IonicContact CZ-OE2 3.15Å; R18-E112 IonicContact NH1-OE2 2.65Å; R18-E112 IonicContact NH2-OE1 2.99Å; R18-E112 PolarHBondContact NH2-OE1 3.18Å; R18-E112 IonicContact NH2-OE2 2.83Å; R18-E112 PolarHBondContact NH2-OE2 2.79Å; F20-E112 WeakPolarHBondContact CE1-OE1 3.28Å; N110-E112 PolarHBondContact O-N 3.26Å; N110-E112 PolarHBondContact OD1-OE2 2.77Å; E112-L114 PolarHBondContact O-N 3.44Å; E112-M115 WeakPolarHBondContact O-CB 3.45Å; E112-M115 PolarHBondContact O-N 3.39Å; E112-E116 WeakPolarHBondContact O-CG 3.33Å; E112-E116 PolarHBondContact O-N 2.92Å
113E78.9Confident72.3Confident125 Ų12568.3 Ų68.358%0.58437%0.371SS*.Hα-helixtrans-64-40.4176.7179.6175.4-17800112.6N110 M115 E116 S117N110-E113 HydrophobicContact CB-CB 3.98Å; N110-E113 WeakPolarHBondContact ND2-CB 3.46Å; N110-E113 PolarHBondContact ND2-OE2 2.71Å; N110-E113 PolarHBondContact O-N 2.89Å; E113-M115 VanDerWaalsContact C-N 3.31Å; E113-M115 PolarHBondContact O-N 2.76Å; E113-E116 PolarHBondContact O-N 2.89Å; E113-S117 PolarHBondContact O-N 2.82Å
114L79.5Confident70.3Confident30 Ų3076.4 Ų76.416%0.15742%0.415CS..Hα-helixtrans-68.2-31.4175.5-70.3177.7000112.8L77 E80 V81 L109 N110 L111 E112 E116L77-L114 HydrophobicContact CD1-CB 3.79Å; E80-L114 HydrophobicContact CG-CD2 3.88Å; V81-L114 HydrophobicContact CG2-CD1 3.67Å; L109-L114 HydrophobicContact CD1-CD1 3.46Å; L109-L114 VanDerWaalsContact CD1-CD1 3.46Å; L109-L114 HydrophobicContact CD2-CD1 4.4Å; L109-L114 HydrophobicContact CG-CD1 4.11Å; N110-L114 PolarHBondContact O-N 2.72Å; L111-L114 PolarHBondContact O-N 2.75Å; E112-L114 PolarHBondContact O-N 3.44Å; L114-E116 VanDerWaalsContact C-N 3.33Å
115M77.6Confident68.3Low19 Ų1973.9 Ų73.99%0.09441%0.407CS..Hα-helixtrans-73.1-24.6174.8-75.7-179.765.500113.3M1 L3 F74 L77 L111 E112 E113 S120M1-M115 HydrophobicContact CE-CE 4.38Å; M1-M115 HydrophobicContact CE-SD 3.74Å; L3-M115 HydrophobicContact CB-CE 4.31Å; L3-M115 HydrophobicContact CB-SD 4.15Å; L3-M115 HydrophobicContact CD2-SD 3.72Å; F74-M115 HydrophobicContact CE1-CE 3.62Å; F74-M115 HydrophobicContact CE1-SD 4.33Å; F74-M115 HydrophobicContact CZ-CE 3.88Å; L77-M115 HydrophobicContact CD1-CG 3.67Å; L77-M115 HydrophobicContact CD2-CG 3.72Å; L77-M115 HydrophobicContact CD2-SD 4.12Å; L77-M115 HydrophobicContact CG-CG 4.26Å; L111-M115 WeakPolarHBondContact O-CB 3.35Å; L111-M115 WeakPolarHBondContact O-CG 3.37Å; L111-M115 PolarHBondContact O-N 2.8Å; E112-M115 WeakPolarHBondContact O-CB 3.45Å; E112-M115 PolarHBondContact O-N 3.39Å; E113-M115 VanDerWaalsContact C-N 3.31Å; E113-M115 PolarHBondContact O-N 2.76Å; M115-S120 PolarHBondContact O-OG 2.86Å
116E74Confident66.8Low164 Ų16467.8 Ų67.877%0.76639%0.386SS*.Hα-helixtrans-93.3-14.6176.5-69.9-176.5-17700113E112 E113 L114E112-E116 WeakPolarHBondContact O-CG 3.33Å; E112-E116 PolarHBondContact O-N 2.92Å; E113-E116 PolarHBondContact O-N 2.89Å; L114-E116 VanDerWaalsContact C-N 3.33Å
117S66.2Low65.1Low31 Ų3169.2 Ų69.222%0.21739%0.389CS..SBendtrans-53.3134.1178.2178.60000111.2E113 N119 S120E113-S117 PolarHBondContact O-N 2.82Å; S117-N119 PolarHBondContact O-N 3.05Å; S117-S120 WeakPolarHBondContact O-CB 3.45Å; S117-S120 PolarHBondContact O-N 3.46Å; S117-S120 PolarHBondContact O-OG 3.3Å
118P54.3Low63.6Low79 Ų7973.6 Ų73.651%0.51341%0.413SS..Hα-helixtrans-59-21.5-178.521.3-31.8000112.9S120 S121 K122P118-S120 VanDerWaalsContact C-N 3.29Å; P118-S120 PolarHBondContact O-N 2.91Å; P118-S121 PolarHBondContact O-N 2.93Å; P118-K122 HydrophobicContact CB-CD 4.48Å; P118-K122 WeakPolarHBondContact O-CB 3.49Å; P118-K122 VanDerWaalsContact O-CG 3.25Å; P118-K122 WeakPolarHBondContact O-CG 3.48Å; P118-K122 PolarHBondContact O-N 2.94Å
119N57.2Low62.3Low94 Ų9474 Ų7450%0.50340%0.402SS..Hα-helixtrans-71.7-20.2175.4-66.5-17.5000113.4S117 S121S117-N119 PolarHBondContact O-N 3.05Å; N119-S121 VanDerWaalsContact C-N 3.27Å
120S50.5Low60.7Low10 Ų1074.7 Ų74.77%0.0741%0.405CS..Hα-helixtrans-69.4-29.6173.170.50000112N76 M115 S117 P118N76-S120 PolarHBondContact ND2-O 2.85Å; M115-S120 PolarHBondContact O-OG 2.86Å; S117-S120 WeakPolarHBondContact O-CB 3.45Å; S117-S120 PolarHBondContact O-N 3.46Å; S117-S120 PolarHBondContact O-OG 3.3Å; P118-S120 VanDerWaalsContact C-N 3.29Å; P118-S120 PolarHBondContact O-N 2.91Å
121S46.7Very low59.5Low101 Ų10178.1 Ų78.171%0.70641%0.413SS*.Hα-helixtrans-103.6-27.9-177.5-48.40000113.5P118 N119 G123P118-S121 PolarHBondContact O-N 2.93Å; N119-S121 VanDerWaalsContact C-N 3.27Å; S121-G123 PolarHBondContact O-N 3.05Å
122K45Very low58.3Low160 Ų16081.2 Ų81.270%0.69643%0.434SS*.  trans-75.691177.9-80.1-177.9179-177.50109.7P118P118-K122 HydrophobicContact CB-CD 4.48Å; P118-K122 WeakPolarHBondContact O-CB 3.49Å; P118-K122 VanDerWaalsContact O-CG 3.25Å; P118-K122 WeakPolarHBondContact O-CG 3.48Å; P118-K122 PolarHBondContact O-N 2.94Å
123G45.7Very low57.4Low22 Ų2281 Ų8123%0.22744%0.435CS..  trans16486.3156.400000113.9Q72 S121 G125Q72-G123 PolarHBondContact NE2-O 3.47Å; S121-G123 PolarHBondContact O-N 3.05Å; G123-G125 PolarHBondContact O-N 3.4Å
124N47.8Very low56.5Low172 Ų17275.9 Ų75.992%0.9241%0.412SS*.  trans-61.216.9141.1-76.8-12000112.3S126N124-S126 PolarHBondContact O-N 3.34Å
125G46.8Very low55.8Low16 Ų1679.8 Ų79.817%0.16543%0.433CS..  trans-63.4120173.800000108.6G123G123-G125 PolarHBondContact O-N 3.4Å
126S51Low55.2Low71 Ų7181.3 Ų81.350%0.49744%0.444SS..  trans-39.3151.5174.9-170.20000111.2N124 D128 Q129N124-S126 PolarHBondContact O-N 3.34Å; S126-D128 PolarHBondContact O-N 3.2Å; S126-D128 PolarHBondContact OG-OD2 2.82Å; S126-Q129 PolarHBondContact O-N 2.88Å
127L48.2Very low54.9Low93 Ų9373.5 Ų73.549%0.48741%0.407SS..Hα-helixtrans-40.4-29173.9-163.5115.5000113L130 R131L127-L130 PolarHBondContact O-N 3.39Å; L127-R131 HydrophobicContact CD2-CG 4.46Å; L127-R131 WeakPolarHBondContact O-CG 3.32Å; L127-R131 PolarHBondContact O-N 3.4Å
128D53.7Low54.9Low101 Ų10174.7 Ų74.754%0.5441%0.413SS..Hα-helixtrans-63.4-47.1175.3-50.9-51.3000115S126 L130 R131 S132S126-D128 PolarHBondContact O-N 3.2Å; S126-D128 PolarHBondContact OG-OD2 2.82Å; D128-L130 PolarHBondContact O-N 2.89Å; D128-R131 PolarHBondContact O-N 3.04Å; D128-S132 PolarHBondContact O-N 2.85Å
129Q55.6Low55.5Low124 Ų12473.1 Ų73.158%0.57941%0.407SS*.Hα-helixtrans-62.6-35.5175.2-78.2-175.5-9.100110.5S126 S132 N133S126-Q129 PolarHBondContact O-N 2.88Å; Q129-S132 WeakPolarHBondContact O-CB 3.23Å; Q129-S132 PolarHBondContact O-N 2.9Å; Q129-N133 PolarHBondContact O-N 2.83Å; Q129-N133 PolarHBondContact O-OD1 3.22Å
130L51.6Low55.8Low24 Ų2470 Ų7013%0.12639%0.391CS..Hα-helixtrans-76.9-32.3178.7-62171.9000112.7N76 L127 D128 S132 N133 V134N76-L130 WeakPolarHBondContact OD1-CD2 3.27Å; L127-L130 PolarHBondContact O-N 3.39Å; D128-L130 PolarHBondContact O-N 2.89Å; L130-S132 VanDerWaalsContact C-N 3.32Å; L130-N133 WeakPolarHBondContact O-CB 3.28Å; L130-N133 PolarHBondContact O-N 2.97Å; L130-V134 PolarHBondContact O-N 2.98Å
131R55.5Low56.3Low148 Ų14870.8 Ų70.856%0.55839%0.394SS*.Hα-helixtrans-63.9-40.3168-79.2-177.1174.5-169.60.9110.7L127 D128 N133 V134 N135L127-R131 HydrophobicContact CD2-CG 4.46Å; L127-R131 WeakPolarHBondContact O-CG 3.32Å; L127-R131 PolarHBondContact O-N 3.4Å; D128-R131 PolarHBondContact O-N 3.04Å; R131-N133 VanDerWaalsContact C-N 3.28Å; R131-N133 PolarHBondContact O-N 2.87Å; R131-V134 PolarHBondContact O-N 2.81Å; R131-N135 PolarHBondContact O-N 2.86Å; R131-N135 VanDerWaalsContact O-N 3.07Å
132S59.6Low56.9Low64 Ų6472.5 Ų72.545%0.44839%0.391SS..Hα-helixtrans-59.2-39.4171.6-171.90000111.7D128 Q129 L130 V134 N135 T136D128-S132 PolarHBondContact O-N 2.85Å; Q129-S132 WeakPolarHBondContact O-CB 3.23Å; Q129-S132 PolarHBondContact O-N 2.9Å; L130-S132 VanDerWaalsContact C-N 3.32Å; S132-V134 PolarHBondContact O-N 2.84Å; S132-N135 WeakPolarHBondContact O-CB 3.31Å; S132-N135 PolarHBondContact O-N 3.27Å; S132-T136 WeakPolarHBondContact O-CB 3.48Å; S132-T136 PolarHBondContact O-N 3.21Å; S132-T136 PolarHBondContact O-OG1 3.25Å
133N60.1Low57.5Low53 Ų5372.6 Ų72.628%0.28339%0.394SS..Hα-helixtrans-63.4-40.2176.5-71.5-17.3000112.7V79 Q129 L130 R131 T136 V137V79-N133 HydrophobicContact CG1-CB 4.12Å; Q129-N133 PolarHBondContact O-N 2.83Å; Q129-N133 PolarHBondContact O-OD1 3.22Å; L130-N133 WeakPolarHBondContact O-CB 3.28Å; L130-N133 PolarHBondContact O-N 2.97Å; R131-N133 VanDerWaalsContact C-N 3.28Å; R131-N133 PolarHBondContact O-N 2.87Å; N133-T136 WeakPolarHBondContact O-CA 3.42Å; N133-T136 VanDerWaalsContact O-CB 3.28Å; N133-T136 WeakPolarHBondContact O-CB 3.19Å; N133-T136 PolarHBondContact O-N 3.41Å; N133-T136 VanDerWaalsContact O-N 3.14Å; N133-V137 WeakPolarHBondContact O-CG2 3.34Å; N133-V137 PolarHBondContact O-N 3.09Å
134V59.9Low58Low17 Ų1774.5 Ų74.510%0.10340%0.399CS..Hα-helixtrans-63.2-44.8174.4174.30000110.6L54 V79 L130 R131 S132 T136 V137 T138L54-V134 HydrophobicContact CD1-CG1 3.88Å; L54-V134 HydrophobicContact CD1-CG2 4.21Å; V79-V134 HydrophobicContact CG2-CG2 4.32Å; L130-V134 PolarHBondContact O-N 2.98Å; R131-V134 PolarHBondContact O-N 2.81Å; S132-V134 PolarHBondContact O-N 2.84Å; V134-T136 PolarHBondContact O-N 2.81Å; V134-V137 WeakPolarHBondContact O-CB 3.47Å; V134-V137 PolarHBondContact O-N 2.85Å; V134-T138 PolarHBondContact O-N 3.04Å
135N64.2Low58.1Low112 Ų11268.5 Ų68.560%0.59937%0.368SS*.Hα-helixtrans-59.8-33.9173.3-65.5-16.7000112R131 S132 T138 A139R131-N135 PolarHBondContact O-N 2.86Å; R131-N135 VanDerWaalsContact O-N 3.07Å; S132-N135 WeakPolarHBondContact O-CB 3.31Å; S132-N135 PolarHBondContact O-N 3.27Å; N135-T138 WeakPolarHBondContact O-CB 3.37Å; N135-T138 PolarHBondContact O-N 2.8Å; N135-A139 PolarHBondContact O-N 3.19Å; N135-A139 VanDerWaalsContact O-N 3.07Å
136T64.9Low58.3Low51 Ų5178 Ų7831%0.31340%0.399SS..Hα-helixtrans-67.5-36.3176.3-52.50000111.3S132 N133 V134 T138 A139 V140S132-T136 WeakPolarHBondContact O-CB 3.48Å; S132-T136 PolarHBondContact O-N 3.21Å; S132-T136 PolarHBondContact O-OG1 3.25Å; N133-T136 WeakPolarHBondContact O-CA 3.42Å; N133-T136 VanDerWaalsContact O-CB 3.28Å; N133-T136 WeakPolarHBondContact O-CB 3.19Å; N133-T136 PolarHBondContact O-N 3.41Å; N133-T136 VanDerWaalsContact O-N 3.14Å; V134-T136 PolarHBondContact O-N 2.81Å; T136-T138 VanDerWaalsContact C-N 3.29Å; T136-T138 PolarHBondContact O-N 2.87Å; T136-A139 WeakPolarHBondContact O-CB 3.18Å; T136-A139 PolarHBondContact O-N 2.88Å; T136-A139 VanDerWaalsContact O-N 3.12Å; T136-V140 HydrophobicContact CG2-CG2 4.45Å; T136-V140 WeakPolarHBondContact O-CG2 3.43Å; T136-V140 PolarHBondContact O-N 2.83Å
137V67.8Low58Low0 Ų082.3 Ų82.30%042%0.416CS..Hα-helixtrans-61.2-42.4175178.40000110.4V56 V79 S82 R83 L86 N133 V134 A139 V140 M141V56-V137 HydrophobicContact CG1-CG1 4.33Å; V56-V137 HydrophobicContact CG2-CG1 3.94Å; V79-V137 HydrophobicContact CG1-CG2 4.05Å; S82-V137 WeakPolarHBondContact OG-CG1 3.38Å; S82-V137 WeakPolarHBondContact OG-CG2 3.46Å; R83-V137 HydrophobicContact CB-CG2 4.36Å; L86-V137 HydrophobicContact CD1-CG1 3.42Å; L86-V137 VanDerWaalsContact CD1-CG1 3.42Å; N133-V137 WeakPolarHBondContact O-CG2 3.34Å; N133-V137 PolarHBondContact O-N 3.09Å; V134-V137 WeakPolarHBondContact O-CB 3.47Å; V134-V137 PolarHBondContact O-N 2.85Å; V137-A139 VanDerWaalsContact C-N 3.31Å; V137-A139 PolarHBondContact O-N 3.34Å; V137-V140 PolarHBondContact O-N 3.24Å; V137-M141 PolarHBondContact O-N 3.45Å
138T67.3Low57.9Low56 Ų5679.6 Ų79.634%0.34441%0.407SS..Hα-helixtrans-62.4-37.6173.9-49.70000111.9V134 N135 T136 M141 Q142V134-T138 PolarHBondContact O-N 3.04Å; N135-T138 WeakPolarHBondContact O-CB 3.37Å; N135-T138 PolarHBondContact O-N 2.8Å; T136-T138 VanDerWaalsContact C-N 3.29Å; T136-T138 PolarHBondContact O-N 2.87Å; T138-M141 PolarHBondContact O-N 3.37Å; T138-Q142 PolarHBondContact O-N 2.98Å
139A66.9Low57.4Low47 Ų4782.1 Ų82.139%0.38842%0.42SS..Hα-helixtrans-68.4-40.5176.800000113.3N135 T136 V137 M141 Q142 E143N135-A139 PolarHBondContact O-N 3.19Å; N135-A139 VanDerWaalsContact O-N 3.07Å; T136-A139 WeakPolarHBondContact O-CB 3.18Å; T136-A139 PolarHBondContact O-N 2.88Å; T136-A139 VanDerWaalsContact O-N 3.12Å; V137-A139 VanDerWaalsContact C-N 3.31Å; V137-A139 PolarHBondContact O-N 3.34Å; A139-M141 PolarHBondContact O-N 3.32Å; A139-Q142 WeakPolarHBondContact O-CB 3.49Å; A139-Q142 PolarHBondContact O-N 3.19Å; A139-E143 PolarHBondContact O-N 3.41Å; A139-E143 VanDerWaalsContact O-N 3.16Å
140V62.4Low56.7Low27 Ų2785 Ų8516%0.16443%0.433CS..Hα-helixtrans-58.7-32.2176.2168.50000111.5R83 T136 V137 N144R83-V140 HydrophobicContact CG-CG2 4.23Å; T136-V140 HydrophobicContact CG2-CG2 4.45Å; T136-V140 WeakPolarHBondContact O-CG2 3.43Å; T136-V140 PolarHBondContact O-N 2.83Å; V137-V140 PolarHBondContact O-N 3.24Å; V140-N144 PolarHBondContact O-ND2 2.98Å
141M62.7Low56.1Low28 Ų2894.8 Ų94.814%0.13847%0.469CS..Hα-helixtrans-71-41.2172.6-177.9179160.900112.2S57 F92 V137 T138 A139 E143 N144 T145S57-M141 WeakPolarHBondContact CB-SD 3.19Å; S57-M141 WeakPolarHBondContact OG-CE 3.42Å; S57-M141 PolarHBondContact OG-SD 3.07Å; F92-M141 HydrophobicContact CD1-CE 4.41Å; F92-M141 HydrophobicContact CD2-SD 4.42Å; F92-M141 HydrophobicContact CE1-CE 3.59Å; F92-M141 HydrophobicContact CE2-CE 3.79Å; F92-M141 HydrophobicContact CE2-SD 3.85Å; F92-M141 HydrophobicContact CZ-CE 3.22Å; F92-M141 HydrophobicContact CZ-SD 3.94Å; V137-M141 PolarHBondContact O-N 3.45Å; T138-M141 PolarHBondContact O-N 3.37Å; A139-M141 PolarHBondContact O-N 3.32Å; M141-E143 VanDerWaalsContact C-N 3.28Å; M141-E143 PolarHBondContact O-N 2.68Å; M141-N144 PolarHBondContact O-N 2.99Å; M141-T145 HydrophobicContact CE-CG2 3.85Å; M141-T145 HydrophobicContact CG-CG2 3.81Å; M141-T145 WeakPolarHBondContact O-CG2 3.4Å; M141-T145 PolarHBondContact O-N 3.45Å; M141-T145 PolarHBondContact O-OG1 3.46Å; M141-T145 VanDerWaalsContact O-OG1 3.13Å
142Q58.1Low55.3Low136 Ų13691.2 Ų91.264%0.63648%0.478SS*.Hα-helixtrans-60.9-37.3179.9-70.9179.4-7.400112.2T138 A139 N144 T145T138-Q142 PolarHBondContact O-N 2.98Å; A139-Q142 WeakPolarHBondContact O-CB 3.49Å; A139-Q142 PolarHBondContact O-N 3.19Å; Q142-N144 PolarHBondContact O-N 2.85Å; Q142-T145 PolarHBondContact O-OG1 2.69Å
143E58.6Low54.2Low163 Ų16395.7 Ų95.776%0.76250%0.496SS*.Hα-helixtrans-66.9-36.4178.9-168.5170.1-16600112.6A139 M141A139-E143 PolarHBondContact O-N 3.41Å; A139-E143 VanDerWaalsContact O-N 3.16Å; M141-E143 VanDerWaalsContact C-N 3.28Å; M141-E143 PolarHBondContact O-N 2.68Å
144N54.7Low53.3Low61 Ų61105.2 Ų105.233%0.32653%0.528SS..Hα-helixtrans-90.8-10.9-176.8-69.1-56.8000114.8S87 V140 M141 Q142S87-N144 PolarHBondContact O-ND2 2.8Å; S87-N144 VanDerWaalsContact O-ND2 3.08Å; V140-N144 PolarHBondContact O-ND2 2.98Å; M141-N144 PolarHBondContact O-N 2.99Å; Q142-N144 PolarHBondContact O-N 2.85Å
145T51.5Low52.5Low46 Ų46111.6 Ų111.628%0.28256%0.561SS.*Hα-helixtrans-77.5-18.1-177.144.30000114.5M141 Q142 L147M141-T145 HydrophobicContact CE-CG2 3.85Å; M141-T145 HydrophobicContact CG-CG2 3.81Å; M141-T145 WeakPolarHBondContact O-CG2 3.4Å; M141-T145 PolarHBondContact O-N 3.45Å; M141-T145 PolarHBondContact O-OG1 3.46Å; M141-T145 VanDerWaalsContact O-OG1 3.13Å; Q142-T145 PolarHBondContact O-OG1 2.69Å; T145-L147 PolarHBondContact O-N 2.89Å
146R49.5Very low51.4Low216 Ų216113.1 Ų113.182%0.81557%0.569SS**THydrogen-bonded Turntrans-68.2-20.4-178.2-156.8173.176.6106.9-1.3113.9
147L45.5Very low50.3Low161 Ų161114.2 Ų114.284%0.84357%0.573SS**THydrogen-bonded Turntrans-107.7-9.6-176.8-67.6173.7000114.7T145T145-L147 PolarHBondContact O-N 2.89Å
148A46.4Very low49.4Very low36 Ų36121.8 Ų121.830%0.29861%0.613SS.*THydrogen-bonded Turntrans-98-8.4178.900000114.3Q150A148-Q150 PolarHBondContact O-N 2.83Å
149L43.1Very low48.6Very low154 Ų154124.6 Ų124.681%0.80663%0.63SS**THydrogen-bonded Turntrans-69.44.3-178-86.1166.7000115.6
150Q41.5Very low47.9Very low186 Ų186124.8 Ų124.887%0.86963%0.628SS**THydrogen-bonded Turntrans-10720.5-177.1-140.5179.99.700115.7A148A148-Q150 PolarHBondContact O-N 2.83Å
151R37.1Very low47.2Very low229 Ų229127 Ų12786%0.86464%0.636SS**SBendtrans-131.388.4167-75.4-173178.1159.70.6112.6
152G40Very low46.9Very low73 Ų73130.2 Ų130.275%0.75366%0.657SS**  trans87.5101.2145.300000117.4
153D36.6Very low47Very low157 Ų157129.1 Ų129.184%0.8466%0.656SS**  trans-44.5140.1162.3-72.7-55000114.7
154R40.6Very low46.9Very low253 Ų253124.4 Ų124.496%0.95563%0.634SS**  trans-144.895.1134.7-71.6-160.6177.8157.70.2111.4
155L42.4Very low47.1Very low151 Ų151125.7 Ų125.779%0.79164%0.64SS**  trans-58.2145.9153.9-158.579.1000109.4
156N41.4Very low47.7Very low144 Ų144126.3 Ų126.377%0.7765%0.65SS**  trans100.283.8176-54.6-18.7000115.3
157N43.1Very low48.4Very low75 Ų75118.8 Ų118.840%0.40163%0.634SS.*  trans-140.524.3175.1-133.61.6000115.4
158L47.7Very low49.1Very low159 Ų159113.4 Ų113.483%0.83261%0.61SS**SBendtrans-102.4-15.5178.2-137.470.7000115.3
159V50.2Low49.9Very low115 Ų115114.1 Ų114.170%0.69762%0.616SS**SBendtrans-102.3-25174.7179.60000112.4K161 T162V159-K161 VanDerWaalsContact C-N 3.28Å; V159-K161 PolarHBondContact O-N 2.87Å; V159-T162 PolarHBondContact O-OG1 2.97Å
160S53.2Low51Low51 Ų51111.4 Ų111.436%0.35760%0.602SS.*Hα-helixtrans-67.8-23.1176.3-63.50000114.1T162 D163 E164S160-T162 PolarHBondContact O-N 3.18Å; S160-D163 PolarHBondContact O-N 3Å; S160-E164 WeakPolarHBondContact O-CB 3.36Å; S160-E164 WeakPolarHBondContact O-CG 3.5Å; S160-E164 PolarHBondContact O-N 2.88Å
161K47.1Very low52.2Low72 Ų72108.5 Ų108.531%0.31359%0.589SS.*Hα-helixtrans-68.4-32.1-172.1-79179.8178.4-87.70113.8E11 V159 L165E11-K161 IonicContact OE2-NZ 2.71Å; E11-K161 PolarHBondContact OE2-NZ 3.12Å; V159-K161 VanDerWaalsContact C-N 3.28Å; V159-K161 PolarHBondContact O-N 2.87Å; K161-L165 VanDerWaalsContact O-CB 3.27Å; K161-L165 WeakPolarHBondContact O-CB 3.29Å; K161-L165 PolarHBondContact O-N 3.38Å
162T56.6Low53.7Low97 Ų97102.2 Ų102.260%0.59557%0.568SS**Hα-helixtrans-78.1-42.4176.5400000112.2V159 S160 E164 L165 A166V159-T162 PolarHBondContact O-OG1 2.97Å; S160-T162 PolarHBondContact O-N 3.18Å; T162-E164 VanDerWaalsContact C-N 3.31Å; T162-E164 PolarHBondContact O-N 3.36Å; T162-L165 PolarHBondContact O-N 3.2Å; T162-A166 PolarHBondContact O-N 3.29Å
163D60.5Low55Low112 Ų112104.7 Ų104.760%0.59956%0.56SS**Hα-helixtrans-67.3-35.8177-69.2-21.3000111.1S160 A166 A167S160-D163 PolarHBondContact O-N 3Å; D163-A166 PolarHBondContact O-N 3.21Å; D163-A167 VanDerWaalsContact O-CB 3.28Å; D163-A167 WeakPolarHBondContact O-CB 3.39Å; D163-A167 PolarHBondContact O-N 3.18Å
164E56.3Low56.5Low64 Ų64100 Ų10030%0.29954%0.537SS..Hα-helixtrans-71.9-35.9173-74.3174.8160.900112.6K12 S160 T162 A166 A167 S168K12-E164 WeakPolarHBondContact CE-OE2 3.41Å; K12-E164 IonicContact NZ-OE1 2.75Å; K12-E164 PolarHBondContact NZ-OE1 3.24Å; K12-E164 IonicContact NZ-OE2 2.72Å; K12-E164 PolarHBondContact NZ-OE2 3.24Å; S160-E164 WeakPolarHBondContact O-CB 3.36Å; S160-E164 WeakPolarHBondContact O-CG 3.5Å; S160-E164 PolarHBondContact O-N 2.88Å; T162-E164 VanDerWaalsContact C-N 3.31Å; T162-E164 PolarHBondContact O-N 3.36Å; E164-A166 VanDerWaalsContact C-N 3.3Å; E164-A166 PolarHBondContact O-N 3.29Å; E164-A167 CarbonylContact O-C 3.56Å; E164-A167 PolarHBondContact O-N 3.45Å; E164-S168 VanDerWaalsContact O-CB 3.24Å; E164-S168 WeakPolarHBondContact O-CB 3.46Å; E164-S168 PolarHBondContact O-N 3.41Å; E164-S168 PolarHBondContact O-OG 2.88Å
165L59.1Low57.7Low88 Ų8891 Ų9146%0.46151%0.51SS..Hα-helixtrans-62-43.3173.1-17465.5000110.5L34 K161 T162 A169L34-L165 HydrophobicContact CD2-CD1 3.33Å; K161-L165 VanDerWaalsContact O-CB 3.27Å; K161-L165 WeakPolarHBondContact O-CB 3.29Å; K161-L165 PolarHBondContact O-N 3.38Å; T162-L165 PolarHBondContact O-N 3.2Å; L165-A169 WeakPolarHBondContact O-CB 3.44Å; L165-A169 PolarHBondContact O-N 3.01Å
166A63.3Low58.8Low60 Ų6085.9 Ų85.950%0.49649%0.49SS..Hα-helixtrans-63.3-43.9173.500000111.4T162 D163 E164 A169 N170T162-A166 PolarHBondContact O-N 3.29Å; D163-A166 PolarHBondContact O-N 3.21Å; E164-A166 VanDerWaalsContact C-N 3.3Å; E164-A166 PolarHBondContact O-N 3.29Å; A166-A169 PolarHBondContact O-N 2.73Å; A166-N170 WeakPolarHBondContact O-CB 3.39Å; A166-N170 PolarHBondContact O-N 2.97Å
167A65.9Low60.4Low57 Ų5782.9 Ų82.947%0.47148%0.477SS..Hα-helixtrans-66.5-41.8178.700000112.6D163 E164 N170 Q171D163-A167 VanDerWaalsContact O-CB 3.28Å; D163-A167 WeakPolarHBondContact O-CB 3.39Å; D163-A167 PolarHBondContact O-N 3.18Å; E164-A167 CarbonylContact O-C 3.56Å; E164-A167 PolarHBondContact O-N 3.45Å; A167-N170 CarbonylContact O-C 3.44Å; A167-N170 PolarHBondContact O-N 3.4Å; A167-Q171 VanDerWaalsContact O-CB 3.25Å; A167-Q171 WeakPolarHBondContact O-CB 3.2Å; A167-Q171 PolarHBondContact O-N 2.66Å
168S59.4Low61.7Low49 Ų4985.9 Ų85.934%0.34349%0.486SS..Hα-helixtrans-69.3-39.6176.4-72.50000111.7E164 N170 Q171 F172E164-S168 VanDerWaalsContact O-CB 3.24Å; E164-S168 WeakPolarHBondContact O-CB 3.46Å; E164-S168 PolarHBondContact O-N 3.41Å; E164-S168 PolarHBondContact O-OG 2.88Å; S168-N170 VanDerWaalsContact C-N 3.32Å; S168-Q171 PolarHBondContact O-N 3.38Å; S168-F172 VanDerWaalsContact O-CB 3.25Å; S168-F172 WeakPolarHBondContact O-CB 3.18Å; S168-F172 PolarHBondContact O-N 3.35Å
169A63.1Low62.7Low51 Ų5182.1 Ų82.142%0.42147%0.469SS..Hα-helixtrans-61.9-41.8171.300000111.1L165 A166 F172 Q173L165-A169 WeakPolarHBondContact O-CB 3.44Å; L165-A169 PolarHBondContact O-N 3.01Å; A166-A169 PolarHBondContact O-N 2.73Å; A169-F172 PolarHBondContact O-N 3.07Å; A169-Q173 WeakPolarHBondContact O-CB 3.49Å; A169-Q173 PolarHBondContact O-N 3.45Å
170N66.4Low63.8Low97 Ų9779.6 Ų79.652%0.51946%0.461SS..Hα-helixtrans-72.1-34177.5-149.6-5.9000111.8A166 A167 S168 Q173 T174A166-N170 WeakPolarHBondContact O-CB 3.39Å; A166-N170 PolarHBondContact O-N 2.97Å; A167-N170 CarbonylContact O-C 3.44Å; A167-N170 PolarHBondContact O-N 3.4Å; S168-N170 VanDerWaalsContact C-N 3.32Å; N170-Q173 PolarHBondContact O-N 2.94Å; N170-T174 WeakPolarHBondContact O-CB 3.45Å; N170-T174 VanDerWaalsContact O-CG2 3.25Å; N170-T174 WeakPolarHBondContact O-CG2 3.28Å; N170-T174 PolarHBondContact O-N 3.04Å; N170-T174 PolarHBondContact O-OG1 3.16Å
171Q66.3Low64.8Low125 Ų12585.2 Ų85.258%0.58447%0.474SS*.Hα-helixtrans-70.1-37.9173.1-170172.72.700111.1A167 S168 T174 T175A167-Q171 VanDerWaalsContact O-CB 3.25Å; A167-Q171 WeakPolarHBondContact O-CB 3.2Å; A167-Q171 PolarHBondContact O-N 2.66Å; S168-Q171 PolarHBondContact O-N 3.38Å; Q171-T174 VanDerWaalsContact CA-OG1 3.31Å; Q171-T174 WeakPolarHBondContact CA-OG1 3.3Å; Q171-T174 PolarHBondContact O-N 3.3Å; Q171-T174 PolarHBondContact O-OG1 2.86Å; Q171-T174 VanDerWaalsContact O-OG1 3.11Å; Q171-T175 WeakPolarHBondContact O-CA 3.42Å; Q171-T175 WeakPolarHBondContact O-CB 3.38Å; Q171-T175 PolarHBondContact O-N 3.47Å; Q171-T175 PolarHBondContact O-OG1 2.95Å
172F69.2Low66Low97 Ų9788.1 Ų88.143%0.42549%0.486SS..Hα-helixtrans-64.8-44.8171.7-173.6-97.8000110.3D27 S168 A169 T174 T175 A176D27-F172 HydrophobicContact CB-CE2 4.07Å; D27-F172 HydrophobicContact CB-CZ 4.29Å; D27-F172 WeakPolarHBondContact OD1-CE2 3.44Å; S168-F172 VanDerWaalsContact O-CB 3.25Å; S168-F172 WeakPolarHBondContact O-CB 3.18Å; S168-F172 PolarHBondContact O-N 3.35Å; A169-F172 PolarHBondContact O-N 3.07Å; F172-T174 PolarHBondContact O-N 2.82Å; F172-T175 PolarHBondContact O-N 3.38Å; F172-A176 HydrophobicContact CE1-CB 4.5Å; F172-A176 WeakPolarHBondContact O-CA 3.4Å; F172-A176 WeakPolarHBondContact O-CB 3.41Å; F172-A176 PolarHBondContact O-N 3.24Å
173Q66.3Low66.9Low125 Ų12586.5 Ų86.558%0.58448%0.477SS*.Hα-helixtrans-62.4-44.3175.5-174.4169.7-3.900112A169 N170 T177A169-Q173 WeakPolarHBondContact O-CB 3.49Å; A169-Q173 PolarHBondContact O-N 3.45Å; N170-Q173 PolarHBondContact O-N 2.94Å; Q173-T177 WeakPolarHBondContact O-CB 3.49Å; Q173-T177 WeakPolarHBondContact O-CG2 3.32Å; Q173-T177 PolarHBondContact O-N 2.93Å; Q173-T177 PolarHBondContact O-OG1 3.5Å
174T68.3Low67.7Low59 Ų5988.9 Ų88.936%0.36248%0.477SS..Hα-helixtrans-71.6-30177.355.70000112.8N170 Q171 F172 T177 K178N170-T174 WeakPolarHBondContact O-CB 3.45Å; N170-T174 VanDerWaalsContact O-CG2 3.25Å; N170-T174 WeakPolarHBondContact O-CG2 3.28Å; N170-T174 PolarHBondContact O-N 3.04Å; N170-T174 PolarHBondContact O-OG1 3.16Å; Q171-T174 VanDerWaalsContact CA-OG1 3.31Å; Q171-T174 WeakPolarHBondContact CA-OG1 3.3Å; Q171-T174 PolarHBondContact O-N 3.3Å; Q171-T174 PolarHBondContact O-OG1 2.86Å; Q171-T174 VanDerWaalsContact O-OG1 3.11Å; F172-T174 PolarHBondContact O-N 2.82Å; T174-T177 VanDerWaalsContact C-OG1 3.28Å; T174-T177 VanDerWaalsContact CA-OG1 3.23Å; T174-T177 WeakPolarHBondContact CA-OG1 3.44Å; T174-T177 PolarHBondContact O-OG1 3.26Å; T174-K178 WeakPolarHBondContact O-CB 3.49Å; T174-K178 WeakPolarHBondContact O-CD 3.18Å; T174-K178 WeakPolarHBondContact O-CG 3.14Å; T174-K178 PolarHBondContact O-N 3.35Å
175T66.6Low68.7Low63 Ų6391.6 Ų91.639%0.38749%0.485SS..Hα-helixtrans-79.3-43.7176.2-55.80000110.9Q171 F172 T177 K178 V179Q171-T175 WeakPolarHBondContact O-CA 3.42Å; Q171-T175 WeakPolarHBondContact O-CB 3.38Å; Q171-T175 PolarHBondContact O-N 3.47Å; Q171-T175 PolarHBondContact O-OG1 2.95Å; F172-T175 PolarHBondContact O-N 3.38Å; T175-T177 VanDerWaalsContact C-N 3.28Å; T175-T177 PolarHBondContact O-N 3.06Å; T175-K178 CarbonylContact O-C 3.55Å; T175-K178 WeakPolarHBondContact O-CB 3.48Å; T175-K178 PolarHBondContact O-N 3.45Å; T175-K178 VanDerWaalsContact O-N 3.1Å; T175-V179 HydrophobicContact CG2-CG2 4.26Å; T175-V179 WeakPolarHBondContact O-CB 3.46Å; T175-V179 VanDerWaalsContact O-CG2 3.3Å; T175-V179 WeakPolarHBondContact O-CG2 3.33Å; T175-V179 PolarHBondContact O-N 3.42Å
176A65.7Low69.7Low44 Ų4491.8 Ų91.836%0.36448%0.484SS..Hα-helixtrans-58.4-41.2172.700000110.9F172 V179 A180F172-A176 HydrophobicContact CE1-CB 4.5Å; F172-A176 WeakPolarHBondContact O-CA 3.4Å; F172-A176 WeakPolarHBondContact O-CB 3.41Å; F172-A176 PolarHBondContact O-N 3.24Å; A176-V179 PolarHBondContact O-N 3.44Å; A176-A180 WeakPolarHBondContact O-CB 3.38Å; A176-A180 PolarHBondContact O-N 2.89Å
177T74.5Confident70.5Confident81 Ų8193.3 Ų93.350%0.49748%0.483SS..Hα-helixtrans-68.5-3917351.60000112.5Q173 T174 T175 R181Q173-T177 WeakPolarHBondContact O-CB 3.49Å; Q173-T177 WeakPolarHBondContact O-CG2 3.32Å; Q173-T177 PolarHBondContact O-N 2.93Å; Q173-T177 PolarHBondContact O-OG1 3.5Å; T174-T177 VanDerWaalsContact C-OG1 3.28Å; T174-T177 VanDerWaalsContact CA-OG1 3.23Å; T174-T177 WeakPolarHBondContact CA-OG1 3.44Å; T174-T177 PolarHBondContact O-OG1 3.26Å; T175-T177 VanDerWaalsContact C-N 3.28Å; T175-T177 PolarHBondContact O-N 3.06Å; T177-R181 WeakPolarHBondContact O-CB 3.26Å; T177-R181 PolarHBondContact O-N 3.31Å
178K70.9Confident71.3Confident138 Ų13894.8 Ų94.860%0.648%0.479SS*.Hα-helixtrans-63.4-41.9173.1-78.6170.3-175.3175.40112.3T174 T175 R181 K182T174-K178 WeakPolarHBondContact O-CB 3.49Å; T174-K178 WeakPolarHBondContact O-CD 3.18Å; T174-K178 WeakPolarHBondContact O-CG 3.14Å; T174-K178 PolarHBondContact O-N 3.35Å; T175-K178 CarbonylContact O-C 3.55Å; T175-K178 WeakPolarHBondContact O-CB 3.48Å; T175-K178 PolarHBondContact O-N 3.45Å; T175-K178 VanDerWaalsContact O-N 3.1Å; K178-R181 PolarHBondContact O-N 2.89Å; K178-K182 WeakPolarHBondContact O-CB 3.35Å; K178-K182 PolarHBondContact O-N 3.41Å
179V68.3Low72.6Confident80 Ų80100.5 Ų100.549%0.48549%0.493SS..Hα-helixtrans-67.8-49.1177.61720000109.9T175 A176 R181 K182 T183T175-V179 HydrophobicContact CG2-CG2 4.26Å; T175-V179 WeakPolarHBondContact O-CB 3.46Å; T175-V179 VanDerWaalsContact O-CG2 3.3Å; T175-V179 WeakPolarHBondContact O-CG2 3.33Å; T175-V179 PolarHBondContact O-N 3.42Å; A176-V179 PolarHBondContact O-N 3.44Å; V179-R181 PolarHBondContact O-N 2.91Å; V179-K182 PolarHBondContact O-N 2.96Å; V179-T183 PolarHBondContact O-N 3.43Å; V179-T183 PolarHBondContact O-OG1 3.31Å; V179-T183 VanDerWaalsContact O-OG1 3.08Å
180A73.2Confident73.5Confident62 Ų62103.6 Ų103.651%0.51250%0.5SS..Hα-helixtrans-55.6-42.7174.800000111.2A176 W184A176-A180 WeakPolarHBondContact O-CB 3.38Å; A176-A180 PolarHBondContact O-N 2.89Å; A180-W184 WeakPolarHBondContact O-CB 3.4Å; A180-W184 PolarHBondContact O-N 3.46Å
181R73.4Confident74.5Confident168 Ų168105.7 Ų105.763%0.63451%0.505SS*.Hα-helixtrans-65.6-46.1175.5-156.9175.586.4-170.88.6111.2T177 K178 V179 T183 W184 W185T177-R181 WeakPolarHBondContact O-CB 3.26Å; T177-R181 PolarHBondContact O-N 3.31Å; K178-R181 PolarHBondContact O-N 2.89Å; V179-R181 PolarHBondContact O-N 2.91Å; R181-T183 PolarHBondContact O-N 2.98Å; R181-W184 WeakPolarHBondContact O-CB 3.47Å; R181-W184 PolarHBondContact O-N 3.23Å; R181-W185 PolarHBondContact O-N 2.65Å
182K73.6Confident75.6Confident133 Ų133104.4 Ų104.458%0.57850%0.502SS*.Hα-helixtrans-59.5-46.9178.2-173.4-179.2175.9-171.60111.4K178 V179 W184 W185 E186K178-K182 WeakPolarHBondContact O-CB 3.35Å; K178-K182 PolarHBondContact O-N 3.41Å; V179-K182 PolarHBondContact O-N 2.96Å; K182-W184 VanDerWaalsContact C-N 3.32Å; K182-W184 PolarHBondContact O-N 3.33Å; K182-W185 PolarHBondContact O-N 3.48Å; K182-E186 WeakPolarHBondContact CE-OE1 3.44Å; K182-E186 WeakPolarHBondContact O-CG 3.5Å; K182-E186 PolarHBondContact O-N 2.89Å
183T75.2Confident76.6Confident63 Ų63104.9 Ų104.939%0.38751%0.507SS..Hα-helixtrans-62.8-38.1175.9-55.60000111.6V179 R181 E186 N187V179-T183 PolarHBondContact O-N 3.43Å; V179-T183 PolarHBondContact O-OG1 3.31Å; V179-T183 VanDerWaalsContact O-OG1 3.08Å; R181-T183 PolarHBondContact O-N 2.98Å; T183-E186 PolarHBondContact O-N 3.35Å; T183-N187 VanDerWaalsContact O-CB 3.3Å; T183-N187 WeakPolarHBondContact O-CB 3.3Å; T183-N187 PolarHBondContact O-N 3.42Å; T183-N187 PolarHBondContact O-ND2 3.21Å
184W76.1Confident77.8Confident162 Ų162103.8 Ų103.861%0.61451%0.505SS*.Hα-helixtrans-63.1-43.8174.3-167.979.7000111.9A180 R181 K182 F188A180-W184 WeakPolarHBondContact O-CB 3.4Å; A180-W184 PolarHBondContact O-N 3.46Å; R181-W184 WeakPolarHBondContact O-CB 3.47Å; R181-W184 PolarHBondContact O-N 3.23Å; K182-W184 VanDerWaalsContact C-N 3.32Å; K182-W184 PolarHBondContact O-N 3.33Å; W184-F188 VanDerWaalsContact O-CB 3.23Å; W184-F188 WeakPolarHBondContact O-CB 3.34Å; W184-F188 PolarHBondContact O-N 2.69Å
185W77.2Confident79Confident121 Ų121105.7 Ų105.746%0.45852%0.516SS..Hα-helixtrans-65.3-41.1175.5-76.5107.6000113.1R181 K182 F188 R189R181-W185 PolarHBondContact O-N 2.65Å; K182-W185 PolarHBondContact O-N 3.48Å; W185-F188 PolarHBondContact O-N 3.27Å; W185-R189 WeakPolarHBondContact O-CB 3.4Å; W185-R189 VanDerWaalsContact O-CG 3.23Å; W185-R189 WeakPolarHBondContact O-CG 3.21Å; W185-R189 PolarHBondContact O-N 3.25Å
186E80.7Confident80.2Confident93 Ų93105 Ų10544%0.43552%0.521SS..Hα-helixtrans-64.9-46.2177-74175.9176.400111.2K182 T183 F188 R189 M190K182-E186 WeakPolarHBondContact CE-OE1 3.44Å; K182-E186 WeakPolarHBondContact O-CG 3.5Å; K182-E186 PolarHBondContact O-N 2.89Å; T183-E186 PolarHBondContact O-N 3.35Å; E186-F188 VanDerWaalsContact C-N 3.32Å; E186-F188 PolarHBondContact O-N 3.06Å; E186-R189 PolarHBondContact O-N 3.46Å; E186-M190 WeakPolarHBondContact O-CG 3.49Å; E186-M190 PolarHBondContact O-N 3.4Å
187N80.5Confident81.6Confident92 Ų92106.9 Ų106.949%0.49253%0.528SS..Hα-helixtrans-62.7-38.8175.1-72.1-18000112T183 K191T183-N187 VanDerWaalsContact O-CB 3.3Å; T183-N187 WeakPolarHBondContact O-CB 3.3Å; T183-N187 PolarHBondContact O-N 3.42Å; T183-N187 PolarHBondContact O-ND2 3.21Å; N187-K191 WeakPolarHBondContact O-CG 3.47Å; N187-K191 PolarHBondContact O-N 3.23Å
188F82.9Confident82.5Confident88 Ų88106.8 Ų106.839%0.38653%0.527SS..Hα-helixtrans-68-42.8177.2-173.3-107000112.3W184 W185 E186 M190 K191 L192W184-F188 VanDerWaalsContact O-CB 3.23Å; W184-F188 WeakPolarHBondContact O-CB 3.34Å; W184-F188 PolarHBondContact O-N 2.69Å; W185-F188 PolarHBondContact O-N 3.27Å; E186-F188 VanDerWaalsContact C-N 3.32Å; E186-F188 PolarHBondContact O-N 3.06Å; F188-M190 VanDerWaalsContact C-N 3.34Å; F188-M190 PolarHBondContact O-N 3.2Å; F188-K191 PolarHBondContact O-N 3.05Å; F188-L192 HydrophobicContact CD1-CD1 3.87Å; F188-L192 HydrophobicContact CD1-CG 4.39Å; F188-L192 HydrophobicContact CE1-CD1 3.44Å; F188-L192 VanDerWaalsContact CE1-CD1 3.44Å; F188-L192 HydrophobicContact CE1-CG 4.03Å; F188-L192 HydrophobicContact CZ-CD1 4.01Å; F188-L192 HydrophobicContact CZ-CD2 4.42Å; F188-L192 HydrophobicContact CZ-CG 4.17Å; F188-L192 PolarHBondContact O-N 3.07Å
189R85.3Confident83.6Confident169 Ų169101.6 Ų101.664%0.63851%0.513SS*.Hα-helixtrans-58.6-45.4173.7-76.2173.5-179.5-165.1-0.2111.5W185 E186 L192 I193W185-R189 WeakPolarHBondContact O-CB 3.4Å; W185-R189 VanDerWaalsContact O-CG 3.23Å; W185-R189 WeakPolarHBondContact O-CG 3.21Å; W185-R189 PolarHBondContact O-N 3.25Å; E186-R189 PolarHBondContact O-N 3.46Å; R189-L192 PolarHBondContact O-N 3.42Å; R189-I193 WeakPolarHBondContact O-CG1 3.4Å; R189-I193 PolarHBondContact O-N 2.94Å; R189-I193 VanDerWaalsContact O-N 3.1Å
190M83Confident84.9Confident115 Ų11599.4 Ų99.457%0.56751%0.506SS*.Hα-helixtrans-62.4-42.7176.6-71.5-62.7-6800112.1E186 F188 I193 I194E186-M190 WeakPolarHBondContact O-CG 3.49Å; E186-M190 PolarHBondContact O-N 3.4Å; F188-M190 VanDerWaalsContact C-N 3.34Å; F188-M190 PolarHBondContact O-N 3.2Å; M190-I193 PolarHBondContact O-N 2.99Å; M190-I194 WeakPolarHBondContact O-CG1 3.5Å; M190-I194 PolarHBondContact O-N 3.13Å; M190-I194 VanDerWaalsContact O-N 3.12Å
191K86.5Confident85.9Confident142 Ų142101 Ų10162%0.61751%0.505SS*.Hα-helixtrans-61.8-42.2175.5-76179.2-179.7-172.50112.5N187 F188 I194 V195N187-K191 WeakPolarHBondContact O-CG 3.47Å; N187-K191 PolarHBondContact O-N 3.23Å; F188-K191 PolarHBondContact O-N 3.05Å; K191-I194 PolarHBondContact O-N 3.43Å; K191-V195 WeakPolarHBondContact O-CG2 3.17Å; K191-V195 PolarHBondContact O-N 3.12Å
192L89.6Confident86.9Confident98 Ų9897.9 Ų97.951%0.51350%0.5SS..Hα-helixtrans-62.7-42.1177.1-81.4175.8000112.5F188 R189 I194 V195 G196F188-L192 HydrophobicContact CD1-CD1 3.87Å; F188-L192 HydrophobicContact CD1-CG 4.39Å; F188-L192 HydrophobicContact CE1-CD1 3.44Å; F188-L192 VanDerWaalsContact CE1-CD1 3.44Å; F188-L192 HydrophobicContact CE1-CG 4.03Å; F188-L192 HydrophobicContact CZ-CD1 4.01Å; F188-L192 HydrophobicContact CZ-CD2 4.42Å; F188-L192 HydrophobicContact CZ-CG 4.17Å; F188-L192 PolarHBondContact O-N 3.07Å; R189-L192 PolarHBondContact O-N 3.42Å; L192-I194 VanDerWaalsContact C-N 3.33Å; L192-I194 PolarHBondContact O-N 2.96Å; L192-V195 PolarHBondContact O-N 3.25Å; L192-G196 PolarHBondContact O-N 3.07Å
193I90.5Very high87.8Confident106 Ų10697 Ų9754%0.54450%0.501SS..Hα-helixtrans-60.9-45.6176.5-67.6167.3000110.1R189 M190 V195 G196 V197R189-I193 WeakPolarHBondContact O-CG1 3.4Å; R189-I193 PolarHBondContact O-N 2.94Å; R189-I193 VanDerWaalsContact O-N 3.1Å; M190-I193 PolarHBondContact O-N 2.99Å; I193-V195 PolarHBondContact O-N 3.35Å; I193-G196 PolarHBondContact O-N 3.23Å; I193-V197 HydrophobicContact CG2-CG2 4.46Å; I193-V197 VanDerWaalsContact O-CG2 3.32Å; I193-V197 WeakPolarHBondContact O-CG2 3.39Å; I193-V197 PolarHBondContact O-N 3.29Å
194I91.7Very high88.7Confident103 Ų10398 Ų9853%0.52851%0.507SS..Hα-helixtrans-60.3-48.1178-67.4164.6000111M190 K191 L192 G196 V197 V198M190-I194 WeakPolarHBondContact O-CG1 3.5Å; M190-I194 PolarHBondContact O-N 3.13Å; M190-I194 VanDerWaalsContact O-N 3.12Å; K191-I194 PolarHBondContact O-N 3.43Å; L192-I194 VanDerWaalsContact C-N 3.33Å; L192-I194 PolarHBondContact O-N 2.96Å; I194-G196 VanDerWaalsContact C-N 3.33Å; I194-G196 PolarHBondContact O-N 3.4Å; I194-V197 PolarHBondContact O-N 3.07Å; I194-V198 HydrophobicContact CG2-CG2 4.42Å; I194-V198 WeakPolarHBondContact O-CB 3.5Å; I194-V198 VanDerWaalsContact O-CG2 3.27Å; I194-V198 WeakPolarHBondContact O-CG2 3.41Å; I194-V198 PolarHBondContact O-N 3.14Å
195V93.1Very high89.5Confident98 Ų9894.1 Ų94.159%0.59450%0.498SS*.Hα-helixtrans-62.7-40.4178.2172.30000111.5K191 L192 I193 V198 G199K191-V195 WeakPolarHBondContact O-CG2 3.17Å; K191-V195 PolarHBondContact O-N 3.12Å; L192-V195 PolarHBondContact O-N 3.25Å; I193-V195 PolarHBondContact O-N 3.35Å; V195-V198 PolarHBondContact O-N 3.33Å; V195-G199 PolarHBondContact O-N 3.29Å
196G92.6Very high90.1Very high48 Ų4892 Ų9250%0.49550%0.498SS..Hα-helixtrans-63.6-42.8177.400000112.7L192 I193 I194 G200L192-G196 PolarHBondContact O-N 3.07Å; I193-G196 PolarHBondContact O-N 3.23Å; I194-G196 VanDerWaalsContact C-N 3.33Å; I194-G196 PolarHBondContact O-N 3.4Å; G196-G200 PolarHBondContact O-N 3.49Å
197V94.1Very high90.5Very high85 Ų8591.7 Ų91.752%0.51550%0.498SS..Hα-helixtrans-65.3-47.9176.2172.70000110.8I193 I194 G199 G200 I201I193-V197 HydrophobicContact CG2-CG2 4.46Å; I193-V197 VanDerWaalsContact O-CG2 3.32Å; I193-V197 WeakPolarHBondContact O-CG2 3.39Å; I193-V197 PolarHBondContact O-N 3.29Å; I194-V197 PolarHBondContact O-N 3.07Å; V197-G199 PolarHBondContact O-N 3.29Å; V197-G200 PolarHBondContact O-N 3.27Å; V197-I201 HydrophobicContact CG1-CD1 3.89Å; V197-I201 VanDerWaalsContact O-CG1 3.27Å; V197-I201 WeakPolarHBondContact O-CG1 3.49Å; V197-I201 PolarHBondContact O-N 2.83Å
198V94.6Very high91Very high79 Ų7991.6 Ų91.648%0.47950%0.497SS..Hα-helixtrans-62.8-44.8178.7173.50000111.1I194 V195 I201 L202I194-V198 HydrophobicContact CG2-CG2 4.42Å; I194-V198 WeakPolarHBondContact O-CB 3.5Å; I194-V198 VanDerWaalsContact O-CG2 3.27Å; I194-V198 WeakPolarHBondContact O-CG2 3.41Å; I194-V198 PolarHBondContact O-N 3.14Å; V195-V198 PolarHBondContact O-N 3.33Å; V198-I201 PolarHBondContact O-N 3.45Å; V198-L202 HydrophobicContact CG1-CD1 4.17Å; V198-L202 WeakPolarHBondContact O-CG 3.47Å; V198-L202 PolarHBondContact O-N 2.89Å
199G94.3Very high91.3Very high29 Ų2991.4 Ų91.430%0.29950%0.499SS..Hα-helixtrans-63.8-39.6176.700000112.9V195 V197 L202 L203V195-G199 PolarHBondContact O-N 3.29Å; V197-G199 PolarHBondContact O-N 3.29Å; G199-L202 PolarHBondContact O-N 3.06Å; G199-L203 WeakPolarHBondContact O-CG 3.48Å; G199-L203 PolarHBondContact O-N 2.71Å
200G94.2Very high91.3Very high33 Ų3386.5 Ų86.534%0.3449%0.485SS..Hα-helixtrans-62.9-43.9174.600000112.5G196 V197 L203 V204G196-G200 PolarHBondContact O-N 3.49Å; V197-G200 PolarHBondContact O-N 3.27Å; G200-L203 PolarHBondContact O-N 2.98Å; G200-V204 WeakPolarHBondContact O-CG2 3.38Å; G200-V204 PolarHBondContact O-N 2.85Å
201I94.5Very high91.4Very high95 Ų9590.5 Ų90.549%0.48749%0.494SS..Hα-helixtrans-61.6-45.7175.4-67.6164.7000110.6V197 V198 L203 V204 I205V197-I201 HydrophobicContact CG1-CD1 3.89Å; V197-I201 VanDerWaalsContact O-CG1 3.27Å; V197-I201 WeakPolarHBondContact O-CG1 3.49Å; V197-I201 PolarHBondContact O-N 2.83Å; V198-I201 PolarHBondContact O-N 3.45Å; I201-L203 PolarHBondContact O-N 3.38Å; I201-V204 PolarHBondContact O-N 3.35Å; I201-I205 HydrophobicContact CG2-CD1 3.9Å; I201-I205 WeakPolarHBondContact O-CG1 3.36Å; I201-I205 PolarHBondContact O-N 3Å
202L94.2Very high91.4Very high103 Ų10391.4 Ų91.454%0.53950%0.5SS..Hα-helixtrans-61.6-42.5177.7-72.4171.9000112.1V198 G199 V204 I205 V206V198-L202 HydrophobicContact CG1-CD1 4.17Å; V198-L202 WeakPolarHBondContact O-CG 3.47Å; V198-L202 PolarHBondContact O-N 2.89Å; G199-L202 PolarHBondContact O-N 3.06Å; L202-V204 PolarHBondContact O-N 3.28Å; L202-I205 PolarHBondContact O-N 3.3Å; L202-V206 VanDerWaalsContact O-CG2 3.32Å; L202-V206 WeakPolarHBondContact O-CG2 3.34Å; L202-V206 PolarHBondContact O-N 2.97Å
203L92.8Very high90.9Very high114 Ų11490.9 Ų90.960%0.59750%0.501SS*.Hα-helixtrans-61.2-43.6176.2-82.5171.1000112.2G199 G200 I201 I205 V206 I207G199-L203 WeakPolarHBondContact O-CG 3.48Å; G199-L203 PolarHBondContact O-N 2.71Å; G200-L203 PolarHBondContact O-N 2.98Å; I201-L203 PolarHBondContact O-N 3.38Å; L203-I205 VanDerWaalsContact C-N 3.33Å; L203-I205 PolarHBondContact O-N 2.87Å; L203-V206 PolarHBondContact O-N 2.88Å; L203-I207 VanDerWaalsContact O-CG1 3.28Å; L203-I207 WeakPolarHBondContact O-CG1 3.44Å; L203-I207 PolarHBondContact O-N 2.78Å
204V93.4Very high89.9Confident84 Ų8487.5 Ų87.551%0.50949%0.493SS..Hα-helixtrans-61.4-43.2176.8171.80000110.8G200 I201 L202 V206 I207 I208G200-V204 WeakPolarHBondContact O-CG2 3.38Å; G200-V204 PolarHBondContact O-N 2.85Å; I201-V204 PolarHBondContact O-N 3.35Å; L202-V204 PolarHBondContact O-N 3.28Å; V204-V206 PolarHBondContact O-N 3.4Å; V204-I207 PolarHBondContact O-N 3.21Å; V204-I208 HydrophobicContact CG1-CD1 3.89Å; V204-I208 VanDerWaalsContact O-CG1 3.28Å; V204-I208 WeakPolarHBondContact O-CG1 3.22Å; V204-I208 PolarHBondContact O-N 2.97Å
205I92.9Very high88.8Confident82 Ų8287 Ų8742%0.42149%0.494SS..Hα-helixtrans-60.9-45176.1-67.5166.6000110.9I201 L202 L203 I207 I208 I209I201-I205 HydrophobicContact CG2-CD1 3.9Å; I201-I205 WeakPolarHBondContact O-CG1 3.36Å; I201-I205 PolarHBondContact O-N 3Å; L202-I205 PolarHBondContact O-N 3.3Å; L203-I205 VanDerWaalsContact C-N 3.33Å; L203-I205 PolarHBondContact O-N 2.87Å; I205-I207 PolarHBondContact O-N 3.27Å; I205-I208 PolarHBondContact O-N 3.4Å; I205-I209 HydrophobicContact CG2-CD1 3.9Å; I205-I209 WeakPolarHBondContact O-CG1 3.45Å; I205-I209 PolarHBondContact O-N 3.41Å
206V91Very high87.3Confident76 Ų7690.4 Ų90.446%0.46150%0.501SS..Hα-helixtrans-62.7-42.2178171.80000111.5L202 L203 V204 I208 I209 L210L202-V206 VanDerWaalsContact O-CG2 3.32Å; L202-V206 WeakPolarHBondContact O-CG2 3.34Å; L202-V206 PolarHBondContact O-N 2.97Å; L203-V206 PolarHBondContact O-N 2.88Å; V204-V206 PolarHBondContact O-N 3.4Å; V206-I208 PolarHBondContact O-N 2.9Å; V206-I209 PolarHBondContact O-N 3.27Å; V206-L210 HydrophobicContact CG1-CD1 3.97Å; V206-L210 HydrophobicContact CG1-CG 4.36Å; V206-L210 WeakPolarHBondContact O-CG 3.25Å; V206-L210 PolarHBondContact O-N 3.34Å
207I89.5Confident85.6Confident87 Ų8793.9 Ų93.945%0.44651%0.508SS..Hα-helixtrans-62.3-43.9176.9-68.8165.9000110.5L203 V204 I205 I209 L210 W211L203-I207 VanDerWaalsContact O-CG1 3.28Å; L203-I207 WeakPolarHBondContact O-CG1 3.44Å; L203-I207 PolarHBondContact O-N 2.78Å; V204-I207 PolarHBondContact O-N 3.21Å; I205-I207 PolarHBondContact O-N 3.27Å; I207-I209 VanDerWaalsContact C-N 3.32Å; I207-I209 PolarHBondContact O-N 3.34Å; I207-L210 PolarHBondContact O-N 2.85Å; I207-W211 PolarHBondContact O-N 3.45Å
208I90.2Very high83.6Confident89 Ų8995 Ų9546%0.45652%0.52SS..Hα-helixtrans-59.8-44176.7-67.8164.9000110.7V204 I205 V206 W211 Q212V204-I208 HydrophobicContact CG1-CD1 3.89Å; V204-I208 VanDerWaalsContact O-CG1 3.28Å; V204-I208 WeakPolarHBondContact O-CG1 3.22Å; V204-I208 PolarHBondContact O-N 2.97Å; I205-I208 PolarHBondContact O-N 3.4Å; V206-I208 PolarHBondContact O-N 2.9Å; I208-W211 PolarHBondContact O-N 2.95Å; I208-Q212 WeakPolarHBondContact O-CG 3.4Å; I208-Q212 PolarHBondContact O-N 2.97Å
209I89.7Confident81.1Confident85 Ų8599.4 Ų99.444%0.43653%0.533SS..Hα-helixtrans-63.8-42.7177-66.2165.9000111.1I205 V206 I207 W211 Q212 T213I205-I209 HydrophobicContact CG2-CD1 3.9Å; I205-I209 WeakPolarHBondContact O-CG1 3.45Å; I205-I209 PolarHBondContact O-N 3.41Å; V206-I209 PolarHBondContact O-N 3.27Å; I207-I209 VanDerWaalsContact C-N 3.32Å; I207-I209 PolarHBondContact O-N 3.34Å; I209-W211 VanDerWaalsContact C-N 3.31Å; I209-W211 PolarHBondContact O-N 3.46Å; I209-Q212 PolarHBondContact O-N 2.83Å; I209-T213 HydrophobicContact CG2-CG2 4.12Å; I209-T213 WeakPolarHBondContact O-CB 3.45Å; I209-T213 WeakPolarHBondContact O-CG2 3.28Å; I209-T213 PolarHBondContact O-N 3.26Å; I209-T213 PolarHBondContact O-OG1 2.92Å
210L86Confident78.8Confident66 Ų66103.1 Ų103.135%0.34656%0.555SS.*Hα-helixtrans-65.4-34178.3-73173000112.7V206 I207 T213 G214V206-L210 HydrophobicContact CG1-CD1 3.97Å; V206-L210 HydrophobicContact CG1-CG 4.36Å; V206-L210 WeakPolarHBondContact O-CG 3.25Å; V206-L210 PolarHBondContact O-N 3.34Å; I207-L210 PolarHBondContact O-N 2.85Å; L210-T213 WeakPolarHBondContact CA-OG1 3.41Å; L210-T213 PolarHBondContact O-OG1 3Å; L210-G214 PolarHBondContact O-N 3.46Å
211W85.1Confident76.3Confident199 Ų199110.2 Ų110.275%0.75458%0.579SS**Hα-helixtrans-70.1-41.3173.6-79.349.6000111.5I207 I208 I209 G214I207-W211 PolarHBondContact O-N 3.45Å; I208-W211 PolarHBondContact O-N 2.95Å; I209-W211 VanDerWaalsContact C-N 3.31Å; I209-W211 PolarHBondContact O-N 3.46Å; W211-G214 PolarHBondContact O-N 2.89Å
212Q84.8Confident73.6Confident161 Ų161114.3 Ų114.375%0.75260%0.596SS**Hα-helixtrans-70.9-35.6177.4-74.2-170.9-36.400113.6I208 I209 G214I208-Q212 WeakPolarHBondContact O-CG 3.4Å; I208-Q212 PolarHBondContact O-N 2.97Å; I209-Q212 PolarHBondContact O-N 2.83Å; Q212-G214 PolarHBondContact O-N 3.01Å
213T80.5Confident71.1Confident87 Ų87121.9 Ų121.953%0.53463%0.628SS.*THydrogen-bonded Turntrans-75.4-4.7177.1510000113I209 L210 V215I209-T213 HydrophobicContact CG2-CG2 4.12Å; I209-T213 WeakPolarHBondContact O-CB 3.45Å; I209-T213 WeakPolarHBondContact O-CG2 3.28Å; I209-T213 PolarHBondContact O-N 3.26Å; I209-T213 PolarHBondContact O-OG1 2.92Å; L210-T213 WeakPolarHBondContact CA-OG1 3.41Å; L210-T213 PolarHBondContact O-OG1 3Å; T213-V215 PolarHBondContact O-N 2.99Å; T213-V215 VanDerWaalsContact O-N 3.16Å
214G68.3Low70Confident35 Ų35122.3 Ų122.336%0.36163%0.63SS.*THydrogen-bonded Turntrans66.41817100000114.3L210 W211 Q212 F216 N217L210-G214 PolarHBondContact O-N 3.46Å; W211-G214 PolarHBondContact O-N 2.89Å; Q212-G214 PolarHBondContact O-N 3.01Å; G214-F216 PolarHBondContact O-N 2.95Å; G214-N217 WeakPolarHBondContact O-CB 3.21Å; G214-N217 PolarHBondContact O-N 2.78Å
215V70Confident68.8Low92 Ų92124.3 Ų124.356%0.55864%0.636SS**THydrogen-bonded Turntrans-62.1-30.5179.5176.20000111.4T213 N217T213-V215 PolarHBondContact O-N 2.99Å; T213-V215 VanDerWaalsContact O-N 3.16Å; V215-N217 VanDerWaalsContact C-N 3.26Å; V215-N217 PolarHBondContact O-N 3.31Å
216F60.8Low67.4Low169 Ų169126.7 Ų126.774%0.74165%0.648SS**THydrogen-bonded Turntrans-77.8-4172.6-86.6-79.5000114.5G214 S218G214-F216 PolarHBondContact O-N 2.95Å; F216-S218 PolarHBondContact O-N 3.22Å; F216-S218 VanDerWaalsContact O-N 3.14Å
217N56.2Low66Low121 Ų121129.6 Ų129.665%0.64766%0.659SS**  trans-87.649.8171.4-156.819000111G214 V215 K219G214-N217 WeakPolarHBondContact O-CB 3.21Å; G214-N217 PolarHBondContact O-N 2.78Å; V215-N217 VanDerWaalsContact C-N 3.26Å; V215-N217 PolarHBondContact O-N 3.31Å; N217-K219 PolarHBondContact O-N 3.16Å
218S52.1Low64.6Low109 Ų109132.3 Ų132.376%0.76267%0.672SS**  trans-79.198161.7-74.20000107.7F216 S220F216-S218 PolarHBondContact O-N 3.22Å; F216-S218 VanDerWaalsContact O-N 3.14Å; S218-S220 PolarHBondContact O-N 3.47Å
219K43.3Very low62.8Low171 Ų171135.2 Ų135.274%0.74369%0.687SS**  trans-47.6132.4175.6-70.5178.5177.5178.60111.3N217 Q221N217-K219 PolarHBondContact O-N 3.16Å; K219-Q221 PolarHBondContact O-N 3.06Å
220S45.2Very low60.9Low108 Ų108138.8 Ų138.876%0.75571%0.705SS**  trans-41.8122148.741.20000111.4S218S218-S220 PolarHBondContact O-N 3.47Å
221Q41.2Very low59Low182 Ų182144.4 Ų144.485%0.8573%0.732SS**  trans-127.698146.6-80.4-125.4-19.100107.4K219 Q223K219-Q221 PolarHBondContact O-N 3.06Å; Q221-Q223 PolarHBondContact O-N 3.08Å
222H38.5Very low56.8Low181 Ų181139.8 Ų139.884%0.83873%0.731SS**  trans-52.8121147.1-94.2-80.2000108.5
223Q40.9Very low54.3Low262 Ų262137.9 Ų137.9100%1.22473%0.729SS**  -160.20127.2-115.1-177.9-30.900109.9Q221Q221-Q223 PolarHBondContact O-N 3.08Å

Retrieved 223 of 223 residues in 47.2 ms (Link to these results)

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