A0A096NDB6_PAPAN Loading...

Vesicle-trafficking protein SEC22a

May be involved in vesicle transport between the ER and the Golgi complex.

AlphaFold DB , UniProt , Accession A0A096NDB6, Species PAPAN (Papio anubis, Olive baboon), Gene SEC22A, Length 307 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
1M69.4Low90.4Very high204 Ų20436 Ų36100%1.00520%0.195SC*.  0137.70-79.9171135.200108.3M3M1-M3 HydrophobicContact CB-CE 4.29Å; M1-M3 PolarHBondContact O-N 3.27Å
2S84.3Confident90.7Very high53 Ų5334.9 Ų34.937%0.37119%0.19SC..  trans-71114.61791570000110.3T75 Y78S2-T75 WeakPolarHBondContact CA-OG1 3.24Å; S2-Y78 WeakPolarHBondContact OG-CA 3.22Å; S2-Y78 WeakPolarHBondContact OG-CD2 3.44Å
3M90.9Very high90.7Very high69 Ų6943.7 Ų43.734%0.3422%0.219SC..  trans-151.6154.717965.3-178119.600113.6M1 L5 C74 T75M1-M3 HydrophobicContact CB-CE 4.29Å; M1-M3 PolarHBondContact O-N 3.27Å; M3-L5 HydrophobicContact CG-CD2 3.87Å; M3-L5 HydrophobicContact CG-CG 4.49Å; M3-L5 HydrophobicContact SD-CD2 3.94Å; M3-C74 WeakPolarHBondContact O-CA 3.35Å; M3-C74 WeakPolarHBondContact O-CB 3.47Å; M3-T75 HydrophobicContact CG-CG2 4.04Å; M3-T75 PolarHBondContact N-OG1 2.97Å; M3-T75 PolarHBondContact O-N 2.79Å; M3-T75 PolarHBondContact O-OG1 3.23Å
4I91.8Very high90.6Very high2 Ų245.9 Ų45.91%0.0123%0.232CC..EExtended strand (participates in β ladder)trans-79.6126.9163.3-51.4-178.1000108M72 Y78 F86 K123 Y126 N127I4-M72 HydrophobicContact CB-CE 4.37Å; I4-M72 HydrophobicContact CD1-CE 3.79Å; I4-M72 HydrophobicContact CG1-CE 3.64Å; I4-M72 HydrophobicContact CG2-CE 4.08Å; I4-Y78 HydrophobicContact CD1-CE1 4.11Å; I4-Y78 HydrophobicContact CD1-CE2 4.47Å; I4-Y78 HydrophobicContact CG1-CD1 4.45Å; I4-Y78 HydrophobicContact CG1-CD2 4.3Å; I4-Y78 HydrophobicContact CG1-CE1 3.86Å; I4-Y78 HydrophobicContact CG1-CE2 3.73Å; I4-Y78 VanDerWaalsContact CG1-CZ 3.49Å; I4-F86 HydrophobicContact CD1-CB 4.08Å; I4-F86 HydrophobicContact CD1-CD1 4.04Å; I4-F86 HydrophobicContact CD1-CD2 3.69Å; I4-F86 HydrophobicContact CD1-CE1 4.4Å; I4-F86 HydrophobicContact CD1-CE2 4.1Å; I4-F86 HydrophobicContact CD1-CG 3.65Å; I4-F86 HydrophobicContact CD1-CZ 4.42Å; I4-F86 HydrophobicContact CG2-CE1 4.49Å; I4-F86 HydrophobicContact CG2-CZ 4.5Å; I4-K123 HydrophobicContact CB-CD 4.38Å; I4-K123 HydrophobicContact CB-CG 3.87Å; I4-K123 HydrophobicContact CG2-CD 4.01Å; I4-K123 HydrophobicContact CG2-CG 3.8Å; I4-Y126 HydrophobicContact CD1-CG 4.44Å; I4-N127 WeakPolarHBondContact CB-OD1 3.29Å; I4-N127 PolarHBondContact N-OD1 3.45Å; I4-N127 PolarHBondContact O-ND2 3.49Å
5L90.4Very high90.6Very high13 Ų1343.5 Ų43.57%0.06822%0.223CC..EExtended strand (participates in β ladder)trans-94.5-52-176.9-62.8168.7000110.6M3 Y58 L73 K123M3-L5 HydrophobicContact CG-CD2 3.87Å; M3-L5 HydrophobicContact CG-CG 4.49Å; M3-L5 HydrophobicContact SD-CD2 3.94Å; L5-Y58 HydrophobicContact CD1-CD1 3.33Å; L5-Y58 HydrophobicContact CD1-CE1 3.3Å; L5-Y58 HydrophobicContact CD1-CG 4.44Å; L5-L73 HydrophobicContact CB-CB 4.42Å; L5-L73 HydrophobicContact CB-CD2 4.18Å; L5-L73 HydrophobicContact CB-CG 4.17Å; L5-L73 HydrophobicContact CD1-CD2 4.19Å; L5-L73 HydrophobicContact CD1-CG 4.1Å; L5-L73 PolarHBondContact N-O 2.94Å; L5-K123 PolarHBondContact O-NZ 2.99Å
6S91.8Very high90.8Very high25 Ų2542.3 Ų42.318%0.17522%0.217CC..EExtended strand (participates in β ladder)trans-149.7163.5-179.864.40000112.1S21 M72 L73S6-S21 VanDerWaalsContact CA-OG 3.29Å; S6-S21 WeakPolarHBondContact CA-OG 3.28Å; S6-S21 WeakPolarHBondContact CB-OG 3.4Å; S6-M72 WeakPolarHBondContact O-CA 3.45Å; S6-L73 PolarHBondContact N-O 3.26Å; S6-L73 PolarHBondContact O-N 2.77Å; S6-L73 WeakPolarHBondContact OG-CB 3.31Å
7A94.6Very high91Very high2 Ų241.6 Ų41.62%0.01722%0.216CC..EExtended strand (participates in β ladder)trans-144154.2173.100000111.5A20 S21 M71 M72 F86 L90 I119A7-A20 CarbonylContact O-C 3.57Å; A7-A20 WeakPolarHBondContact O-CA 3.49Å; A7-S21 PolarHBondContact N-OG 3.43Å; A7-S21 VanDerWaalsContact N-OG 3.1Å; A7-S21 PolarHBondContact O-N 3.1Å; A7-M71 CarbonylContact C-O 3.37Å; A7-M71 VanDerWaalsContact CA-O 3.24Å; A7-M71 WeakPolarHBondContact CA-O 3.36Å; A7-M71 WeakPolarHBondContact CB-O 3.43Å; A7-M72 HydrophobicContact CB-CB 4.39Å; A7-F86 HydrophobicContact CB-CE1 3.76Å; A7-F86 HydrophobicContact CB-CZ 3.84Å; A7-L90 HydrophobicContact CB-CD1 4.12Å; A7-I119 HydrophobicContact CB-CG2 3.8Å
8S94.9Very high91.2Very high12 Ų1239.3 Ų39.38%0.08420%0.204CC..EExtended strand (participates in β ladder)trans-146.3144.6-179.964.30000112I10 S19 F37 M71S8-I10 WeakPolarHBondContact OG-CD1 3.46Å; S8-S19 CarbonylContact C-O 3.56Å; S8-S19 WeakPolarHBondContact CA-O 3.42Å; S8-F37 WeakPolarHBondContact OG-CE1 3.07Å; S8-M71 PolarHBondContact N-O 3.29Å; S8-M71 PolarHBondContact O-N 3.08Å
9V96.3Very high91.5Very high0 Ų037.3 Ų37.30%019%0.193CC..EExtended strand (participates in β ladder)trans-107.2123.7172.2-171.50000107.7L18 S19 V68 S69 Y70 F94 F115 I119V9-L18 HydrophobicContact CB-CB 4.36Å; V9-L18 HydrophobicContact CG1-CB 4.23Å; V9-L18 HydrophobicContact CG1-CD1 4.15Å; V9-L18 WeakPolarHBondContact O-CA 3.32Å; V9-L18 WeakPolarHBondContact O-CB 3.44Å; V9-L18 PolarHBondContact O-N 3.22Å; V9-S19 PolarHBondContact N-O 2.72Å; V9-S19 PolarHBondContact O-N 3.37Å; V9-V68 HydrophobicContact CG1-CG1 3.38Å; V9-S69 WeakPolarHBondContact CA-O 3.19Å; V9-Y70 HydrophobicContact CG1-CD1 4.05Å; V9-Y70 HydrophobicContact CG1-CE1 3.83Å; V9-Y70 HydrophobicContact CG2-CD1 3.98Å; V9-Y70 HydrophobicContact CG2-CE1 4.28Å; V9-F94 HydrophobicContact CB-CE2 4.47Å; V9-F94 HydrophobicContact CG1-CD1 4.42Å; V9-F94 HydrophobicContact CG1-CD2 4.02Å; V9-F94 HydrophobicContact CG1-CE1 4.27Å; V9-F94 HydrophobicContact CG1-CE2 3.87Å; V9-F94 HydrophobicContact CG1-CG 4.31Å; V9-F94 HydrophobicContact CG1-CZ 4Å; V9-F94 HydrophobicContact CG2-CD2 4.36Å; V9-F115 HydrophobicContact CG2-CD1 3.94Å; V9-F115 HydrophobicContact CG2-CE1 3.83Å; V9-I119 HydrophobicContact CG2-CD1 4.38Å
10I95.7Very high91.6Very high9 Ų936.5 Ų36.55%0.04619%0.192CC..EExtended strand (participates in β ladder)trans-133.1142.3-171.1-69.2159.5000109.3S8 L16 L44 V68 S69 M71S8-I10 WeakPolarHBondContact OG-CD1 3.46Å; I10-L16 WeakPolarHBondContact CA-O 3.48Å; I10-L44 HydrophobicContact CB-CD1 4.2Å; I10-L44 HydrophobicContact CG2-CD1 3.67Å; I10-V68 CarbonylContact O-C 3.52Å; I10-S69 PolarHBondContact N-O 3.1Å; I10-S69 PolarHBondContact O-N 2.96Å; I10-M71 HydrophobicContact CD1-CG 4.34Å; I10-M71 HydrophobicContact CD1-SD 3.46Å; I10-M71 WeakPolarHBondContact CD1-SD 3.43Å
11R94.8Very high91.5Very high7 Ų735.4 Ų35.43%0.02619%0.188CC..EExtended strand (participates in β ladder)trans-79.2130.5172.8-170.7166.760-159.14.3110.8R13 D14 G15 L16 L18 T103 N104 A106R11-R13 HydrophobicContact CG-CG 4.18Å; R11-R13 VanDerWaalsContact NH1-NH2 3.19Å; R11-R13 PolarHBondContact O-N 3.38Å; R11-D14 IonicContact CZ-OD1 3.69Å; R11-D14 IonicContact CZ-OD2 3.8Å; R11-D14 VanDerWaalsContact CZ-OD2 3.27Å; R11-D14 IonicContact NE-OD1 3.27Å; R11-D14 PolarHBondContact NE-OD1 3.31Å; R11-D14 IonicContact NE-OD2 3.69Å; R11-D14 PolarHBondContact NE-OD2 3.08Å; R11-D14 VanDerWaalsContact NE-OD2 3.12Å; R11-D14 IonicContact NH2-OD1 3.34Å; R11-D14 IonicContact NH2-OD2 3.74Å; R11-D14 PolarHBondContact NH2-OD2 2.98Å; R11-G15 WeakPolarHBondContact O-CA 3.36Å; R11-G15 PolarHBondContact O-N 2.68Å; R11-L16 HydrophobicContact CB-CB 4.26Å; R11-L16 PolarHBondContact N-O 3.34Å; R11-L16 VanDerWaalsContact NH2-CD2 3.3Å; R11-L18 HydrophobicContact CB-CD1 4.2Å; R11-L18 HydrophobicContact CB-CD2 4.27Å; R11-L18 HydrophobicContact CB-CG 4.28Å; R11-T103 PolarHBondContact NH1-O 2.79Å; R11-N104 PolarHBondContact NH1-O 3.34Å; R11-A106 PolarHBondContact NH1-O 3.04Å; R11-A106 PolarHBondContact NH2-O 2.81Å
12V93.8Very high91.9Very high23 Ų2329.4 Ų29.414%0.13916%0.163CC..THydrogen-bonded Turntrans-66.8-39.9-170.7171.30000112.6D14 L44 A45 G67V12-D14 VanDerWaalsContact C-N 3.35Å; V12-D14 PolarHBondContact O-N 2.89Å; V12-L44 HydrophobicContact CB-CB 4.44Å; V12-L44 HydrophobicContact CG1-CB 4.09Å; V12-L44 HydrophobicContact CG2-CB 4.44Å; V12-A45 HydrophobicContact CG1-CB 3.99Å; V12-G67 WeakPolarHBondContact CB-O 3.47Å; V12-G67 WeakPolarHBondContact CG2-O 3.21Å; V12-G67 PolarHBondContact N-O 3.38Å
13R89.9Confident91.2Very high149 Ų14929.5 Ų29.556%0.56216%0.159SC*.THydrogen-bonded Turntrans-65.4-34.1-17078.2-174.3-178.5-165.2-2114.4R11 N104R11-R13 HydrophobicContact CG-CG 4.18Å; R11-R13 VanDerWaalsContact NH1-NH2 3.19Å; R11-R13 PolarHBondContact O-N 3.38Å; R13-N104 PolarHBondContact NH1-O 3.45Å; R13-N104 PolarHBondContact NH2-O 2.93Å
14D89.1Confident89.3Confident75 Ų7536.9 Ų36.940%0.40119%0.185SC..THydrogen-bonded Turntrans-134.2-2.7-169.849.614.8000112.9R11 V12 L16R11-D14 IonicContact CZ-OD1 3.69Å; R11-D14 IonicContact CZ-OD2 3.8Å; R11-D14 VanDerWaalsContact CZ-OD2 3.27Å; R11-D14 IonicContact NE-OD1 3.27Å; R11-D14 PolarHBondContact NE-OD1 3.31Å; R11-D14 IonicContact NE-OD2 3.69Å; R11-D14 PolarHBondContact NE-OD2 3.08Å; R11-D14 VanDerWaalsContact NE-OD2 3.12Å; R11-D14 IonicContact NH2-OD1 3.34Å; R11-D14 IonicContact NH2-OD2 3.74Å; R11-D14 PolarHBondContact NH2-OD2 2.98Å; V12-D14 VanDerWaalsContact C-N 3.35Å; V12-D14 PolarHBondContact O-N 2.89Å; D14-L16 PolarHBondContact O-N 2.65Å; D14-L16 WeakPolarHBondContact OD1-CB 3.49Å; D14-L16 PolarHBondContact OD1-N 3.48Å
15G91.4Very high87.6Confident10 Ų1042.8 Ų42.810%0.10321%0.212CC..  trans68.420.2-17700000113.6R11 P17 S41R11-G15 WeakPolarHBondContact O-CA 3.36Å; R11-G15 PolarHBondContact O-N 2.68Å; G15-P17 WeakPolarHBondContact O-CD 3.46Å; G15-S41 WeakPolarHBondContact CA-O 3.43Å
16L93.6Very high86Confident23 Ų2350.5 Ų50.512%0.1225%0.248CC..  trans-65.6121.7179.1-176.174.5000109.8I10 R11 D14 L18 A106 P109I10-L16 WeakPolarHBondContact CA-O 3.48Å; R11-L16 HydrophobicContact CB-CB 4.26Å; R11-L16 PolarHBondContact N-O 3.34Å; R11-L16 VanDerWaalsContact NH2-CD2 3.3Å; D14-L16 PolarHBondContact O-N 2.65Å; D14-L16 WeakPolarHBondContact OD1-CB 3.49Å; D14-L16 PolarHBondContact OD1-N 3.48Å; L16-L18 HydrophobicContact CD2-CD2 4.33Å; L16-L18 PolarHBondContact O-N 3.29Å; L16-A106 HydrophobicContact CD2-CB 4.42Å; L16-A106 WeakPolarHBondContact CD2-O 3.39Å; L16-P109 HydrophobicContact CD1-CB 4.48Å; L16-P109 HydrophobicContact CD1-CG 4.06Å
17P94Very high84.6Confident32 Ų3251.5 Ų51.521%0.20826%0.255CS..EExtended strand (participates in β ladder)trans-69.712717529.2-34000109.7G15 P109 Y110G15-P17 WeakPolarHBondContact O-CD 3.46Å; P17-P109 HydrophobicContact CG-CB 4.04Å; P17-Y110 HydrophobicContact CB-CD1 4.18Å; P17-Y110 HydrophobicContact CB-CE1 3.69Å; P17-Y110 HydrophobicContact CB-CE2 4.27Å; P17-Y110 HydrophobicContact CG-CD2 4.37Å; P17-Y110 HydrophobicContact CG-CE1 4.26Å; P17-Y110 HydrophobicContact CG-CE2 3.92Å; P17-Y110 PolarHBondContact O-N 2.71Å
18L95.2Very high82.9Confident0 Ų056.9 Ų56.90%029%0.288CS..EExtended strand (participates in β ladder)trans-96.7-42.2-178.9-61.3179.2000111.1V9 R11 L16 V68 F94 T103 Y110 F112V9-L18 HydrophobicContact CB-CB 4.36Å; V9-L18 HydrophobicContact CG1-CB 4.23Å; V9-L18 HydrophobicContact CG1-CD1 4.15Å; V9-L18 WeakPolarHBondContact O-CA 3.32Å; V9-L18 WeakPolarHBondContact O-CB 3.44Å; V9-L18 PolarHBondContact O-N 3.22Å; R11-L18 HydrophobicContact CB-CD1 4.2Å; R11-L18 HydrophobicContact CB-CD2 4.27Å; R11-L18 HydrophobicContact CB-CG 4.28Å; L16-L18 HydrophobicContact CD2-CD2 4.33Å; L16-L18 PolarHBondContact O-N 3.29Å; L18-V68 HydrophobicContact CD1-CG1 4.01Å; L18-V68 HydrophobicContact CD1-CG2 4.18Å; L18-F94 HydrophobicContact CB-CZ 4.45Å; L18-F94 HydrophobicContact CD1-CE1 4.45Å; L18-F94 HydrophobicContact CD1-CZ 4.08Å; L18-T103 HydrophobicContact CD1-CG2 3.51Å; L18-T103 HydrophobicContact CD2-CG2 4.47Å; L18-Y110 CarbonylContact O-C 3.59Å; L18-Y110 VanDerWaalsContact O-CA 3.29Å; L18-Y110 WeakPolarHBondContact O-CA 2.87Å; L18-F112 HydrophobicContact CB-CD2 3.88Å; L18-F112 HydrophobicContact CD2-CD2 4.05Å; L18-F112 HydrophobicContact CD2-CE2 3.95Å; L18-F112 HydrophobicContact CG-CD2 4.44Å; L18-F112 CarbonylContact O-C 3.57Å; L18-F112 WeakPolarHBondContact O-CA 3.44Å; L18-F112 WeakPolarHBondContact O-CB 3.45Å; L18-F112 PolarHBondContact O-N 3.5Å
19S95.8Very high81.4Confident0 Ų057.5 Ų57.50%030%0.296CS..EExtended strand (participates in β ladder)trans-157.4156.7174.4-1630000110.1S8 V9 F112S8-S19 CarbonylContact C-O 3.56Å; S8-S19 WeakPolarHBondContact CA-O 3.42Å; V9-S19 PolarHBondContact N-O 2.72Å; V9-S19 PolarHBondContact O-N 3.37Å; S19-F112 VanDerWaalsContact CB-O 3.22Å; S19-F112 WeakPolarHBondContact CB-O 3.4Å; S19-F112 PolarHBondContact OG-O 3.43Å
20A93.7Very high79.9Confident21 Ų2158.7 Ų58.717%0.17430%0.302CS..EExtended strand (participates in β ladder)trans-157.1156.2174.200000111A7 Y110A7-A20 CarbonylContact O-C 3.57Å; A7-A20 WeakPolarHBondContact O-CA 3.49Å; A20-Y110 HydrophobicContact CB-CD1 4.42Å; A20-Y110 HydrophobicContact CB-CE1 3.77Å
21S91.1Very high78.7Confident15 Ų1563.1 Ų63.111%0.10532%0.323CS..  trans-71.6134.6174.867.90000112.6S6 A7 D23 D116S6-S21 VanDerWaalsContact CA-OG 3.29Å; S6-S21 WeakPolarHBondContact CA-OG 3.28Å; S6-S21 WeakPolarHBondContact CB-OG 3.4Å; A7-S21 PolarHBondContact N-OG 3.43Å; A7-S21 VanDerWaalsContact N-OG 3.1Å; A7-S21 PolarHBondContact O-N 3.1Å; S21-D23 VanDerWaalsContact CB-OD2 3.23Å; S21-D23 WeakPolarHBondContact CB-OD2 3.29Å; S21-D23 PolarHBondContact O-N 3.01Å; S21-D23 PolarHBondContact OG-OD2 2.94Å; S21-D116 VanDerWaalsContact CA-OD1 3.27Å; S21-D116 WeakPolarHBondContact CA-OD1 3.44Å
22T76.3Confident77.5Confident77 Ų7764.1 Ų64.147%0.47233%0.328SS..  trans-88.970.2177.647.20000111.7D116 Q120T22-D116 WeakPolarHBondContact CB-OD2 3.41Å; T22-D116 WeakPolarHBondContact CG2-OD2 3.44Å; T22-D116 PolarHBondContact N-OD2 2.85Å; T22-D116 PolarHBondContact OG1-OD2 2.97Å; T22-Q120 PolarHBondContact OG1-NE2 2.82Å; T22-Q120 VanDerWaalsContact OG1-NE2 3.11Å
23D69.6Low76.5Confident55 Ų5563.1 Ų63.129%0.29432%0.322SS..  trans-99.3119.9178.3-58.7-61.8000111.6S21 E25 K123S21-D23 VanDerWaalsContact CB-OD2 3.23Å; S21-D23 WeakPolarHBondContact CB-OD2 3.29Å; S21-D23 PolarHBondContact O-N 3.01Å; S21-D23 PolarHBondContact OG-OD2 2.94Å; D23-E25 VanDerWaalsContact C-N 3.29Å; D23-E25 PolarHBondContact O-N 2.89Å; D23-K123 IonicContact OD1-NZ 2.66Å; D23-K123 PolarHBondContact OD1-NZ 2.64Å; D23-K123 IonicContact OD2-NZ 2.73Å; D23-K123 PolarHBondContact OD2-NZ 2.71Å
24Y52.7Low75.8Confident225 Ų22565.3 Ų65.388%0.88233%0.33SS*.  trans-88.238.1-177.4-77.5-90.8000113.5
25E55.3Low75.4Confident125 Ų12566.1 Ų66.158%0.58433%0.33SS*.  trans-93.2104.8173.4-75-166.5166.800110.9D23 S27 M30D23-E25 VanDerWaalsContact C-N 3.29Å; D23-E25 PolarHBondContact O-N 2.89Å; E25-S27 PolarHBondContact O-N 3.42Å; E25-M30 HydrophobicContact CB-CE 4.17Å; E25-M30 HydrophobicContact CB-SD 3.71Å; E25-M30 WeakPolarHBondContact O-CE 3.23Å
26Q55.9Low74.9Confident175 Ų17567.2 Ų67.282%0.81833%0.331SS*.  trans-97.653.4-173-152.3168.83400111.6
27S62.2Low74.4Confident46 Ų4667.1 Ų67.132%0.32233%0.33SS..  trans-79146.1172.273.40000111.1E25 G29 M30 Q31E25-S27 PolarHBondContact O-N 3.42Å; S27-G29 PolarHBondContact O-N 3.39Å; S27-G29 VanDerWaalsContact O-N 3.13Å; S27-M30 PolarHBondContact O-N 3.3Å; S27-M30 WeakPolarHBondContact OG-CG 3.48Å; S27-M30 PolarHBondContact OG-N 2.87Å; S27-Q31 PolarHBondContact O-N 3.47Å
28T60.5Low74Confident115 Ų11572.2 Ų72.271%0.70635%0.349SS*.Hα-helixtrans-54.7-33.6178.6-44.40000112.1Q31T28-Q31 PolarHBondContact O-N 3Å
29G62Low73.6Confident25 Ų2575 Ų7526%0.25836%0.362SS..Hα-helixtrans-68.4-33.1175.900000114.3S27 E32 C33S27-G29 PolarHBondContact O-N 3.39Å; S27-G29 VanDerWaalsContact O-N 3.13Å; G29-E32 PolarHBondContact O-N 2.99Å; G29-C33 PolarHBondContact O-N 3.43Å; G29-C33 VanDerWaalsContact O-N 3.15Å; G29-C33 PolarHBondContact O-SG 3.44Å
30M66.1Low73.3Confident25 Ų2575 Ų7512%0.12336%0.362CS..Hα-helixtrans-73-29.2176.5-7617971.700112.4E25 S27 E32 C33 R34 L73E25-M30 HydrophobicContact CB-CE 4.17Å; E25-M30 HydrophobicContact CB-SD 3.71Å; E25-M30 WeakPolarHBondContact O-CE 3.23Å; S27-M30 PolarHBondContact O-N 3.3Å; S27-M30 WeakPolarHBondContact OG-CG 3.48Å; S27-M30 PolarHBondContact OG-N 2.87Å; M30-E32 VanDerWaalsContact C-N 3.32Å; M30-E32 PolarHBondContact O-N 3.19Å; M30-C33 PolarHBondContact O-N 3.29Å; M30-R34 PolarHBondContact O-N 3.07Å; M30-L73 HydrophobicContact CG-CD2 4.45Å
31Q69.6Low73Confident102 Ų10274.5 Ų74.548%0.47736%0.358SS..Hα-helixtrans-62.7-40.9173.3-60.8-171.98.200111.6S27 T28 R34 K35S27-Q31 PolarHBondContact O-N 3.47Å; T28-Q31 PolarHBondContact O-N 3Å; Q31-R34 PolarHBondContact O-N 2.94Å; Q31-K35 PolarHBondContact O-N 2.88Å
32E70.1Confident72.8Confident28 Ų2881.4 Ų81.413%0.13138%0.381CS..Hα-helixtrans-64.7-44.7173.4-69.5-54.4116.600112.2G29 M30 R34 K35 Y36 S179G29-E32 PolarHBondContact O-N 2.99Å; M30-E32 VanDerWaalsContact C-N 3.32Å; M30-E32 PolarHBondContact O-N 3.19Å; E32-R34 PolarHBondContact O-N 3.32Å; E32-K35 WeakPolarHBondContact O-CB 3.45Å; E32-K35 PolarHBondContact O-N 3.48Å; E32-K35 WeakPolarHBondContact OE1-CE 3.46Å; E32-K35 IonicContact OE1-NZ 2.95Å; E32-K35 PolarHBondContact OE1-NZ 3.28Å; E32-Y36 HydrophobicContact CB-CE2 4.21Å; E32-Y36 WeakPolarHBondContact O-CD2 3.5Å; E32-Y36 PolarHBondContact O-N 3.09Å; E32-Y36 VanDerWaalsContact O-N 3.09Å; E32-S179 WeakPolarHBondContact OE1-CB 3.48Å; E32-S179 PolarHBondContact OE1-OG 3.44Å; E32-S179 VanDerWaalsContact OE2-CB 3.27Å; E32-S179 WeakPolarHBondContact OE2-CB 3.19Å; E32-S179 PolarHBondContact OE2-OG 3.13Å
33C72.1Confident73.4Confident2 Ų278.7 Ų78.71%0.01436%0.363CS..Hα-helixtrans-57.6-41.5175.2-64.50000111.2G29 M30 K35 Y36 F37 Y58 L73G29-C33 PolarHBondContact O-N 3.43Å; G29-C33 VanDerWaalsContact O-N 3.15Å; G29-C33 PolarHBondContact O-SG 3.44Å; M30-C33 PolarHBondContact O-N 3.29Å; C33-K35 VanDerWaalsContact C-N 3.29Å; C33-K35 PolarHBondContact O-N 2.99Å; C33-Y36 CarbonylContact O-C 3.58Å; C33-Y36 WeakPolarHBondContact O-CB 3.46Å; C33-Y36 PolarHBondContact O-N 2.91Å; C33-F37 WeakPolarHBondContact O-CD2 3.45Å; C33-F37 PolarHBondContact O-N 2.97Å; C33-Y58 VanDerWaalsContact SG-CD2 3.59Å; C33-L73 HydrophobicContact CB-CD1 3.75Å; C33-L73 HydrophobicContact CB-CD2 3.66Å; C33-L73 HydrophobicContact CB-CG 4.38Å
34R75.8Confident74.3Confident195 Ų19576.2 Ų76.274%0.73635%0.35SS*.Hα-helixtrans-61.7-34.9177-161.2173.1-170-179.84.3113M30 Q31 E32 K38M30-R34 PolarHBondContact O-N 3.07Å; Q31-R34 PolarHBondContact O-N 2.94Å; E32-R34 PolarHBondContact O-N 3.32Å; R34-K38 PolarHBondContact O-N 3.41Å
35K80.5Confident76.1Confident92 Ų9268.9 Ų68.940%0.434%0.336SS..Hα-helixtrans-63.4-47.2171.8-66.8174.2-177.5167.20110.6Q31 E32 C33 F37 K38 M39 S179Q31-K35 PolarHBondContact O-N 2.88Å; E32-K35 WeakPolarHBondContact O-CB 3.45Å; E32-K35 PolarHBondContact O-N 3.48Å; E32-K35 WeakPolarHBondContact OE1-CE 3.46Å; E32-K35 IonicContact OE1-NZ 2.95Å; E32-K35 PolarHBondContact OE1-NZ 3.28Å; C33-K35 VanDerWaalsContact C-N 3.29Å; C33-K35 PolarHBondContact O-N 2.99Å; K35-F37 PolarHBondContact O-N 3.33Å; K35-K38 PolarHBondContact O-N 2.95Å; K35-M39 WeakPolarHBondContact O-CG 3.31Å; K35-M39 PolarHBondContact O-N 3.41Å; K35-S179 PolarHBondContact NZ-OG 2.98Å; K35-S179 VanDerWaalsContact NZ-OG 3.14Å
36Y82Confident77.6Confident33 Ų3370.3 Ų70.313%0.12934%0.342CS..Hα-helixtrans-62.2-41.1177.5-63.1-55.3000112.5E32 C33 K38 M39 L40 L53 T55 M155 L158E32-Y36 HydrophobicContact CB-CE2 4.21Å; E32-Y36 WeakPolarHBondContact O-CD2 3.5Å; E32-Y36 PolarHBondContact O-N 3.09Å; E32-Y36 VanDerWaalsContact O-N 3.09Å; C33-Y36 CarbonylContact O-C 3.58Å; C33-Y36 WeakPolarHBondContact O-CB 3.46Å; C33-Y36 PolarHBondContact O-N 2.91Å; Y36-K38 VanDerWaalsContact C-N 3.33Å; Y36-K38 PolarHBondContact O-N 3.26Å; Y36-M39 HydrophobicContact CD1-SD 4.44Å; Y36-M39 PolarHBondContact O-N 2.91Å; Y36-M39 VanDerWaalsContact O-N 3.16Å; Y36-L40 WeakPolarHBondContact O-CB 3.25Å; Y36-L40 WeakPolarHBondContact O-CG 3.48Å; Y36-L40 PolarHBondContact O-N 2.68Å; Y36-L53 HydrophobicContact CG-CD2 4.43Å; Y36-T55 HydrophobicContact CD2-CG2 3.85Å; Y36-T55 HydrophobicContact CE2-CG2 4.16Å; Y36-T55 HydrophobicContact CG-CG2 4.37Å; Y36-M155 HydrophobicContact CD1-CE 4.15Å; Y36-M155 HydrophobicContact CD1-SD 4.08Å; Y36-M155 HydrophobicContact CD2-CE 4.44Å; Y36-M155 HydrophobicContact CE1-CE 3.45Å; Y36-M155 VanDerWaalsContact CE1-CE 3.45Å; Y36-M155 HydrophobicContact CE1-SD 3.55Å; Y36-M155 VanDerWaalsContact CE1-SD 3.55Å; Y36-M155 HydrophobicContact CE2-CE 3.84Å; Y36-M155 WeakPolarHBondContact OH-CE 3.44Å; Y36-L158 HydrophobicContact CD1-CD2 3.58Å; Y36-L158 HydrophobicContact CE1-CD2 4.4Å; Y36-L158 HydrophobicContact CG-CD2 4.4Å
37F82.9Confident79.2Confident22 Ų2263.5 Ų63.510%0.09631%0.311CS..Hα-helixtrans-54.7-47.4172.5-96.1-94.3000112.3S8 C33 K35 M39 L40 S41 I60 M71 L73S8-F37 WeakPolarHBondContact OG-CE1 3.07Å; C33-F37 WeakPolarHBondContact O-CD2 3.45Å; C33-F37 PolarHBondContact O-N 2.97Å; K35-F37 PolarHBondContact O-N 3.33Å; F37-M39 VanDerWaalsContact C-N 3.32Å; F37-M39 PolarHBondContact O-N 3.12Å; F37-L40 PolarHBondContact O-N 3.37Å; F37-S41 WeakPolarHBondContact O-CB 3.28Å; F37-S41 PolarHBondContact O-N 2.78Å; F37-I60 HydrophobicContact CD2-CD1 3.67Å; F37-I60 HydrophobicContact CD2-CG1 4.24Å; F37-I60 HydrophobicContact CD2-CG2 4.5Å; F37-I60 HydrophobicContact CE1-CG2 4.48Å; F37-I60 HydrophobicContact CE2-CB 4.47Å; F37-I60 HydrophobicContact CE2-CD1 3.73Å; F37-I60 HydrophobicContact CE2-CG1 3.75Å; F37-I60 HydrophobicContact CE2-CG2 3.95Å; F37-I60 HydrophobicContact CZ-CG1 4.5Å; F37-I60 HydrophobicContact CZ-CG2 3.95Å; F37-M71 HydrophobicContact CD1-CB 4.34Å; F37-M71 HydrophobicContact CD1-CE 3.9Å; F37-M71 HydrophobicContact CD1-SD 4.21Å; F37-M71 HydrophobicContact CE1-CB 3.6Å; F37-M71 HydrophobicContact CE1-CE 4.06Å; F37-M71 HydrophobicContact CE1-SD 4.39Å; F37-M71 HydrophobicContact CZ-CB 4.37Å; F37-L73 HydrophobicContact CE2-CB 3.76Å; F37-L73 HydrophobicContact CE2-CD1 4.25Å; F37-L73 HydrophobicContact CE2-CG 4.39Å; F37-L73 HydrophobicContact CZ-CB 3.96Å
38K84.5Confident80.6Confident138 Ų13863.8 Ų63.860%0.631%0.313SS*.Hα-helixtrans-69.3-28.5179.5-171.9175.4-178.5178.30113.1R34 K35 Y36 S41 R42R34-K38 PolarHBondContact O-N 3.41Å; K35-K38 PolarHBondContact O-N 2.95Å; Y36-K38 VanDerWaalsContact C-N 3.33Å; Y36-K38 PolarHBondContact O-N 3.26Å; K38-S41 PolarHBondContact O-OG 3.02Å; K38-S41 VanDerWaalsContact O-OG 3.08Å; K38-R42 PolarHBondContact O-NE 2.63Å
39M86.7Confident82Confident58 Ų5861.4 Ų61.429%0.28630%0.295SS..Hα-helixtrans-73.5-46.6173.1-68.617474.400110.7K35 Y36 F37 S41 R42 L158K35-M39 WeakPolarHBondContact O-CG 3.31Å; K35-M39 PolarHBondContact O-N 3.41Å; Y36-M39 HydrophobicContact CD1-SD 4.44Å; Y36-M39 PolarHBondContact O-N 2.91Å; Y36-M39 VanDerWaalsContact O-N 3.16Å; F37-M39 VanDerWaalsContact C-N 3.32Å; F37-M39 PolarHBondContact O-N 3.12Å; M39-S41 VanDerWaalsContact C-N 3.35Å; M39-S41 PolarHBondContact O-N 2.96Å; M39-R42 PolarHBondContact O-N 3.29Å; M39-L158 HydrophobicContact CB-CD1 3.85Å; M39-L158 HydrophobicContact CB-CD2 3.95Å; M39-L158 HydrophobicContact CB-CG 3.7Å; M39-L158 HydrophobicContact CE-CB 4.25Å; M39-L158 HydrophobicContact CE-CD2 4.24Å; M39-L158 HydrophobicContact CE-CG 3.77Å; M39-L158 WeakPolarHBondContact CE-O 3.16Å; M39-L158 HydrophobicContact SD-CD2 4.2Å; M39-L158 HydrophobicContact SD-CG 4.28Å
40L89.1Confident83.5Confident0 Ų061 Ų610%029%0.286CS..Hα-helixtrans-59.4-45.3177.5-77.6171.5000111.2Y36 F37 R42 K43 L44 L47 L53 I60 F62 M71 I153 L158Y36-L40 WeakPolarHBondContact O-CB 3.25Å; Y36-L40 WeakPolarHBondContact O-CG 3.48Å; Y36-L40 PolarHBondContact O-N 2.68Å; F37-L40 PolarHBondContact O-N 3.37Å; L40-R42 PolarHBondContact O-N 2.83Å; L40-K43 CarbonylContact O-C 3.57Å; L40-K43 PolarHBondContact O-N 3.2Å; L40-L44 WeakPolarHBondContact O-CG 3.27Å; L40-L44 PolarHBondContact O-N 3.34Å; L40-L47 HydrophobicContact CD2-CD1 3.96Å; L40-L53 HydrophobicContact CD1-CB 4.48Å; L40-L53 HydrophobicContact CD1-CD2 3.81Å; L40-L53 HydrophobicContact CD2-CD2 4.49Å; L40-L53 HydrophobicContact CG-CD2 4.29Å; L40-I60 HydrophobicContact CD1-CB 4.33Å; L40-I60 HydrophobicContact CD1-CD1 4.27Å; L40-I60 HydrophobicContact CD1-CG2 3.73Å; L40-F62 HydrophobicContact CD2-CE1 4.16Å; L40-M71 HydrophobicContact CB-CE 3.69Å; L40-M71 HydrophobicContact CD1-CE 3.63Å; L40-M71 HydrophobicContact CG-CE 4.31Å; L40-I153 HydrophobicContact CD2-CD1 3.66Å; L40-L158 HydrophobicContact CB-CD1 4.43Å; L40-L158 HydrophobicContact CD2-CD1 3.52Å; L40-L158 HydrophobicContact CG-CD1 3.74Å; L40-L158 HydrophobicContact CG-CD2 4.47Å
41S87.4Confident84.8Confident12 Ų1259.9 Ų59.98%0.08428%0.28CS..Hα-helixtrans-54.6-30.7-178.872.10000113.4G15 F37 K38 M39G15-S41 WeakPolarHBondContact CA-O 3.43Å; F37-S41 WeakPolarHBondContact O-CB 3.28Å; F37-S41 PolarHBondContact O-N 2.78Å; K38-S41 PolarHBondContact O-OG 3.02Å; K38-S41 VanDerWaalsContact O-OG 3.08Å; M39-S41 VanDerWaalsContact C-N 3.35Å; M39-S41 PolarHBondContact O-N 2.96Å
42R87.5Confident85.9Confident159 Ų15955.2 Ų55.260%0.626%0.259SS*.Hα-helixtrans-83.5-17.4177.9-70.6179.1-76.3-166.45.1114.1K38 M39 L40K38-R42 PolarHBondContact O-NE 2.63Å; M39-R42 PolarHBondContact O-N 3.29Å; L40-R42 PolarHBondContact O-N 2.83Å
43K88.1Confident87Confident21 Ų2153.9 Ų53.99%0.09125%0.253CS..Hα-helixtrans-108.6-2-179.4-61-160.5-176.8-169.50113.7L40 A45 Q46 L47 E157 L158 S160L40-K43 CarbonylContact O-C 3.57Å; L40-K43 PolarHBondContact O-N 3.2Å; K43-A45 PolarHBondContact O-N 3.19Å; K43-A45 VanDerWaalsContact O-N 3.09Å; K43-Q46 WeakPolarHBondContact O-CB 3.36Å; K43-Q46 PolarHBondContact O-N 3.18Å; K43-L47 HydrophobicContact CB-CD1 4.24Å; K43-L47 WeakPolarHBondContact O-CG 3.34Å; K43-L47 PolarHBondContact O-N 2.98Å; K43-E157 PolarHBondContact NZ-O 3.3Å; K43-L158 VanDerWaalsContact CE-O 3.26Å; K43-L158 WeakPolarHBondContact CE-O 3.33Å; K43-L158 VanDerWaalsContact NZ-C 3.29Å; K43-L158 PolarHBondContact NZ-O 3.43Å; K43-S160 PolarHBondContact NZ-O 3.14Å
44L90.3Very high87.8Confident2 Ų259.2 Ų59.21%0.0128%0.276CS..G310 helixtrans-50.4-38.6-178.3-76.5172000113.1I10 V12 L40 Q46 L47 F62 S69 M71I10-L44 HydrophobicContact CB-CD1 4.2Å; I10-L44 HydrophobicContact CG2-CD1 3.67Å; V12-L44 HydrophobicContact CB-CB 4.44Å; V12-L44 HydrophobicContact CG1-CB 4.09Å; V12-L44 HydrophobicContact CG2-CB 4.44Å; L40-L44 WeakPolarHBondContact O-CG 3.27Å; L40-L44 PolarHBondContact O-N 3.34Å; L44-Q46 PolarHBondContact O-N 3.47Å; L44-L47 PolarHBondContact O-N 2.93Å; L44-F62 HydrophobicContact CD2-CD2 3.95Å; L44-F62 HydrophobicContact CD2-CE1 4.32Å; L44-F62 HydrophobicContact CD2-CE2 3.72Å; L44-F62 HydrophobicContact CD2-CG 4.37Å; L44-F62 HydrophobicContact CD2-CZ 3.9Å; L44-S69 WeakPolarHBondContact CD2-OG 3.43Å; L44-M71 HydrophobicContact CD1-SD 4.35Å; L44-M71 HydrophobicContact CD2-SD 4.33Å
45A89.2Confident88Confident71 Ų7150 Ų5059%0.58724%0.241SC*.G310 helixtrans-65.9-18.4179.100000114.5V12 K43V12-A45 HydrophobicContact CG1-CB 3.99Å; K43-A45 PolarHBondContact O-N 3.19Å; K43-A45 VanDerWaalsContact O-N 3.09Å
46Q88.1Confident88Confident155 Ų15548 Ų4872%0.72425%0.246SC*.G310 helixtrans-100.2-7.1-179.6-59.7172.5900112.3K43 L44K43-Q46 WeakPolarHBondContact O-CB 3.36Å; K43-Q46 PolarHBondContact O-N 3.18Å; L44-Q46 PolarHBondContact O-N 3.47Å
47L88.9Confident88.1Confident32 Ų3252.7 Ų52.717%0.16827%0.269CS..SBendtrans-103.6154-174.3-66.1168.5000110.6L40 K43 L44 F62 I153L40-L47 HydrophobicContact CD2-CD1 3.96Å; K43-L47 HydrophobicContact CB-CD1 4.24Å; K43-L47 WeakPolarHBondContact O-CG 3.34Å; K43-L47 PolarHBondContact O-N 2.98Å; L44-L47 PolarHBondContact O-N 2.93Å; L47-F62 HydrophobicContact CB-CE2 4.49Å; L47-F62 HydrophobicContact CB-CZ 4.02Å; L47-F62 HydrophobicContact CD1-CE1 4.34Å; L47-F62 HydrophobicContact CD1-CZ 3.8Å; L47-I153 HydrophobicContact CD1-CD1 3.85Å; L47-I153 HydrophobicContact CD2-CD1 4.24Å; L47-I153 HydrophobicContact CD2-CG1 4.25Å
48P90.4Very high88.4Confident53 Ų5353.9 Ų53.934%0.34427%0.274SS..  trans-57.4164.7172.4-25.835.5000113.5R50 C51 Y151P48-R50 PolarHBondContact O-N 3.12Å; P48-C51 PolarHBondContact O-SG 2.87Å; P48-C51 VanDerWaalsContact O-SG 3.42Å; P48-Y151 HydrophobicContact CG-CD1 4.18Å; P48-Y151 HydrophobicContact CG-CD2 4.28Å; P48-Y151 HydrophobicContact CG-CG 3.85Å
49D90.8Very high88.7Confident64 Ų6447.8 Ų47.834%0.34225%0.248SC..SBendtrans-67-13.9176.864.2-22.4000114.7I63 S64 R148D49-I63 CarbonylContact O-C 3.59Å; D49-I63 WeakPolarHBondContact O-CA 3.19Å; D49-S64 WeakPolarHBondContact CB-O 3.26Å; D49-S64 PolarHBondContact O-N 2.95Å; D49-R148 IonicContact OD1-CZ 3.12Å; D49-R148 IonicContact OD1-NE 2.83Å; D49-R148 IonicContact OD1-NH2 3.31Å; D49-R148 PolarHBondContact OD1-NH2 3.21Å; D49-R148 IonicContact OD2-CZ 3.27Å; D49-R148 VanDerWaalsContact OD2-CZ 3.31Å; D49-R148 IonicContact OD2-NH1 3.47Å; D49-R148 IonicContact OD2-NH2 2.68Å; D49-R148 PolarHBondContact OD2-NH2 3.47Å
50R92.8Very high89Confident18 Ų1845 Ų457%0.06823%0.234CC..EExtended strand (participates in β ladder)trans-141.5119.6176.4-178.4-177.6-72160.70.9110.3P48 I63 F84 E144 R148 P150 Y151P48-R50 PolarHBondContact O-N 3.12Å; R50-I63 HydrophobicContact CB-CG2 4.47Å; R50-I63 HydrophobicContact CG-CG2 4.26Å; R50-F84 HydrophobicContact CG-CD1 3.96Å; R50-F84 HydrophobicContact CG-CE1 3.48Å; R50-F84 VanDerWaalsContact CG-CE1 3.48Å; R50-F84 HydrophobicContact CG-CZ 4Å; R50-E144 IonicContact CZ-OE1 3.12Å; R50-E144 IonicContact NH1-OE1 2.63Å; R50-E144 PolarHBondContact NH1-OE1 2.76Å; R50-E144 IonicContact NH2-OE1 2.68Å; R50-E144 PolarHBondContact NH2-OE1 3.18Å; R50-R148 PolarHBondContact NH1-O 2.77Å; R50-P150 HydrophobicContact CG-CB 3.88Å; R50-Y151 PolarHBondContact O-N 3.09Å
51C94.4Very high89.3Confident0 Ų045 Ų450%023%0.234CC..EExtended strand (participates in β ladder)trans-143.8159-177.5-56.70000113.9P48 N61 F62 Y151 I153P48-C51 PolarHBondContact O-SG 2.87Å; P48-C51 VanDerWaalsContact O-SG 3.42Å; C51-N61 WeakPolarHBondContact O-CA 3.48Å; C51-F62 HydrophobicContact CB-CD1 4.05Å; C51-F62 HydrophobicContact CB-CD2 4.38Å; C51-F62 HydrophobicContact CB-CE1 3.48Å; C51-F62 VanDerWaalsContact CB-CE1 3.48Å; C51-F62 HydrophobicContact CB-CE2 3.82Å; C51-F62 HydrophobicContact CB-CG 4.48Å; C51-F62 HydrophobicContact CB-CZ 3.34Å; C51-F62 PolarHBondContact N-O 2.66Å; C51-F62 PolarHBondContact O-N 2.89Å; C51-F62 WeakPolarHBondContact SG-CZ 3.48Å; C51-Y151 CarbonylContact C-O 3.58Å; C51-Y151 WeakPolarHBondContact CA-O 3.09Å; C51-Y151 WeakPolarHBondContact CB-O 3.28Å; C51-I153 HydrophobicContact CB-CD1 3.61Å; C51-I153 HydrophobicContact CB-CG1 3.96Å
52T93.3Very high89.7Confident4 Ų444.5 Ų44.53%0.02523%0.23CC..EExtended strand (participates in β ladder)trans-133.5127.1172.6-65.90000109.5K54 I60 N61 P150 Y151 Q152 I153T52-K54 HydrophobicContact CG2-CG 4.1Å; T52-I60 CarbonylContact C-O 3.6Å; T52-I60 WeakPolarHBondContact CA-O 3.44Å; T52-N61 VanDerWaalsContact CB-OD1 3.26Å; T52-N61 WeakPolarHBondContact CB-OD1 3.15Å; T52-N61 WeakPolarHBondContact CG2-OD1 3.48Å; T52-N61 PolarHBondContact OG1-OD1 2.83Å; T52-P150 WeakPolarHBondContact OG1-CB 3.42Å; T52-Y151 PolarHBondContact N-O 3.07Å; T52-Q152 WeakPolarHBondContact O-CA 3.36Å; T52-I153 PolarHBondContact O-N 3.06Å
53L91.6Very high90.1Very high1 Ų137.2 Ų37.21%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-109.2117.2168.4174.265.6000109Y36 L40 T55 N59 I60 I153 M155 L158Y36-L53 HydrophobicContact CG-CD2 4.43Å; L40-L53 HydrophobicContact CD1-CB 4.48Å; L40-L53 HydrophobicContact CD1-CD2 3.81Å; L40-L53 HydrophobicContact CD2-CD2 4.49Å; L40-L53 HydrophobicContact CG-CD2 4.29Å; L53-T55 HydrophobicContact CD2-CG2 4.02Å; L53-T55 HydrophobicContact CG-CG2 3.83Å; L53-N59 WeakPolarHBondContact O-CA 3.37Å; L53-I60 HydrophobicContact CB-CB 4.28Å; L53-I60 HydrophobicContact CD2-CD1 4.31Å; L53-I60 PolarHBondContact N-O 2.75Å; L53-I60 PolarHBondContact O-N 2.85Å; L53-I153 HydrophobicContact CB-CB 4.25Å; L53-I153 HydrophobicContact CD1-CB 4.14Å; L53-I153 HydrophobicContact CD1-CG2 4.14Å; L53-I153 VanDerWaalsContact CD1-O 3.28Å; L53-I153 WeakPolarHBondContact CD1-O 3.37Å; L53-M155 HydrophobicContact CD1-SD 4.09Å; L53-L158 HydrophobicContact CD2-CD2 3.95Å
54K89.1Confident90.5Very high113 Ų11337.3 Ų37.349%0.49121%0.206SC..EExtended strand (participates in β ladder)trans-89.7125.5176.5-60.9-173.6177.3174.90110.3T52 N59T52-K54 HydrophobicContact CG2-CG 4.1Å; K54-N59 WeakPolarHBondContact CG-OD1 3.48Å
55T80.6Confident90.5Very high3 Ų339 Ų392%0.01822%0.218CC..  trans-122.741.7-174.564.90000112.9Y36 L53 H57 Y58 M155 K177Y36-T55 HydrophobicContact CD2-CG2 3.85Å; Y36-T55 HydrophobicContact CE2-CG2 4.16Å; Y36-T55 HydrophobicContact CG-CG2 4.37Å; L53-T55 HydrophobicContact CD2-CG2 4.02Å; L53-T55 HydrophobicContact CG-CG2 3.83Å; T55-H57 PolarHBondContact O-N 2.9Å; T55-Y58 CarbonylContact C-O 3.36Å; T55-Y58 WeakPolarHBondContact CA-O 3.35Å; T55-Y58 PolarHBondContact N-O 2.82Å; T55-Y58 PolarHBondContact OG1-O 3.44Å; T55-M155 HydrophobicContact CG2-CE 3.81Å; T55-K177 VanDerWaalsContact O-CE 3.28Å; T55-K177 WeakPolarHBondContact O-CE 3.38Å; T55-K177 PolarHBondContact O-NZ 3.24Å
56G81.1Confident90.6Very high49 Ų4940.1 Ų40.151%0.50521%0.214SC..SBendtrans76.3-106.8-17400000109.9Y58 D76G56-Y58 PolarHBondContact O-N 3.49Å; G56-D76 WeakPolarHBondContact O-CB 3.4Å
57H83.8Confident90.8Very high132 Ų13234.4 Ų34.461%0.61120%0.197SC*.SBendtrans-74.7-5.9-177.9-58.1-62.6000115.3T55 D76T55-H57 PolarHBondContact O-N 2.9Å; H57-D76 PolarHBondContact O-N 2.85Å
58Y88.6Confident91.1Very high47 Ų4733.2 Ų33.218%0.18419%0.191CC..EExtended strand (participates in β ladder)trans-135150.1-179-52.5-72000111.3L5 C33 T55 G56 L73 C74L5-Y58 HydrophobicContact CD1-CD1 3.33Å; L5-Y58 HydrophobicContact CD1-CE1 3.3Å; L5-Y58 HydrophobicContact CD1-CG 4.44Å; C33-Y58 VanDerWaalsContact SG-CD2 3.59Å; T55-Y58 CarbonylContact C-O 3.36Å; T55-Y58 WeakPolarHBondContact CA-O 3.35Å; T55-Y58 PolarHBondContact N-O 2.82Å; T55-Y58 PolarHBondContact OG1-O 3.44Å; G56-Y58 PolarHBondContact O-N 3.49Å; Y58-L73 HydrophobicContact CG-CD1 4.45Å; Y58-C74 CarbonylContact C-O 3.5Å; Y58-C74 VanDerWaalsContact CA-O 3.23Å; Y58-C74 WeakPolarHBondContact CA-O 3.29Å; Y58-C74 WeakPolarHBondContact CB-O 3.45Å
59N90.9Very high91.4Very high10 Ų1030.7 Ų30.75%0.05318%0.175CC..EExtended strand (participates in β ladder)trans-117.6138.7172.6-65.4-28000109.5L53 K54 C74 D76L53-N59 WeakPolarHBondContact O-CA 3.37Å; K54-N59 WeakPolarHBondContact CG-OD1 3.48Å; N59-C74 PolarHBondContact N-O 3.27Å; N59-C74 PolarHBondContact O-N 3.45Å; N59-D76 WeakPolarHBondContact ND2-CA 3.5Å; N59-D76 PolarHBondContact ND2-O 3.2Å
60I93.3Very high91.7Very high0 Ų027.8 Ų27.80%016%0.159CC..EExtended strand (participates in β ladder)trans-107.5113.3169.6-58.8173.3000107.2F37 L40 T52 L53 M71 M72 L73F37-I60 HydrophobicContact CD2-CD1 3.67Å; F37-I60 HydrophobicContact CD2-CG1 4.24Å; F37-I60 HydrophobicContact CD2-CG2 4.5Å; F37-I60 HydrophobicContact CE1-CG2 4.48Å; F37-I60 HydrophobicContact CE2-CB 4.47Å; F37-I60 HydrophobicContact CE2-CD1 3.73Å; F37-I60 HydrophobicContact CE2-CG1 3.75Å; F37-I60 HydrophobicContact CE2-CG2 3.95Å; F37-I60 HydrophobicContact CZ-CG1 4.5Å; F37-I60 HydrophobicContact CZ-CG2 3.95Å; L40-I60 HydrophobicContact CD1-CB 4.33Å; L40-I60 HydrophobicContact CD1-CD1 4.27Å; L40-I60 HydrophobicContact CD1-CG2 3.73Å; T52-I60 CarbonylContact C-O 3.6Å; T52-I60 WeakPolarHBondContact CA-O 3.44Å; L53-I60 HydrophobicContact CB-CB 4.28Å; L53-I60 HydrophobicContact CD2-CD1 4.31Å; L53-I60 PolarHBondContact N-O 2.75Å; L53-I60 PolarHBondContact O-N 2.85Å; I60-M71 HydrophobicContact CG2-CE 3.89Å; I60-M72 VanDerWaalsContact CA-O 3.3Å; I60-M72 WeakPolarHBondContact CA-O 3.48Å; I60-L73 HydrophobicContact CG1-CD1 3.77Å
61N95Very high91.8Very high0 Ų026.9 Ų26.90%016%0.155CC..EExtended strand (participates in β ladder)trans-108.9142.3177.1-62.5-47.7000108.9C51 T52 M71 M72 A83 F84 L87C51-N61 WeakPolarHBondContact O-CA 3.48Å; T52-N61 VanDerWaalsContact CB-OD1 3.26Å; T52-N61 WeakPolarHBondContact CB-OD1 3.15Å; T52-N61 WeakPolarHBondContact CG2-OD1 3.48Å; T52-N61 PolarHBondContact OG1-OD1 2.83Å; N61-M71 CarbonylContact O-C 3.5Å; N61-M71 WeakPolarHBondContact O-CA 3.28Å; N61-M72 HydrophobicContact CB-CG 3.85Å; N61-M72 HydrophobicContact CB-SD 4.32Å; N61-M72 PolarHBondContact N-O 3.02Å; N61-M72 PolarHBondContact O-N 3.01Å; N61-A83 HydrophobicContact CB-CB 4.48Å; N61-A83 WeakPolarHBondContact ND2-CB 3.47Å; N61-F84 HydrophobicContact CB-CE1 4.31Å; N61-F84 HydrophobicContact CB-CZ 4.11Å; N61-L87 HydrophobicContact CB-CD1 4.08Å
62F96.4Very high91.8Very high0 Ų026.9 Ų26.90%016%0.155CC..EExtended strand (participates in β ladder)trans-147.2156.1171.769.5-98000113.4L40 L44 L47 C51 Y70 M71 I153L40-F62 HydrophobicContact CD2-CE1 4.16Å; L44-F62 HydrophobicContact CD2-CD2 3.95Å; L44-F62 HydrophobicContact CD2-CE1 4.32Å; L44-F62 HydrophobicContact CD2-CE2 3.72Å; L44-F62 HydrophobicContact CD2-CG 4.37Å; L44-F62 HydrophobicContact CD2-CZ 3.9Å; L47-F62 HydrophobicContact CB-CE2 4.49Å; L47-F62 HydrophobicContact CB-CZ 4.02Å; L47-F62 HydrophobicContact CD1-CE1 4.34Å; L47-F62 HydrophobicContact CD1-CZ 3.8Å; C51-F62 HydrophobicContact CB-CD1 4.05Å; C51-F62 HydrophobicContact CB-CD2 4.38Å; C51-F62 HydrophobicContact CB-CE1 3.48Å; C51-F62 VanDerWaalsContact CB-CE1 3.48Å; C51-F62 HydrophobicContact CB-CE2 3.82Å; C51-F62 HydrophobicContact CB-CG 4.48Å; C51-F62 HydrophobicContact CB-CZ 3.34Å; C51-F62 PolarHBondContact N-O 2.66Å; C51-F62 PolarHBondContact O-N 2.89Å; C51-F62 WeakPolarHBondContact SG-CZ 3.48Å; F62-Y70 CarbonylContact C-O 3.57Å; F62-Y70 WeakPolarHBondContact CA-O 3.22Å; F62-Y70 WeakPolarHBondContact CB-O 3.11Å; F62-M71 HydrophobicContact CB-CB 4.01Å; F62-M71 HydrophobicContact CB-CG 3.58Å; F62-M71 HydrophobicContact CD1-CE 4.17Å; F62-M71 HydrophobicContact CG-CG 4.3Å; F62-I153 HydrophobicContact CE1-CD1 3.42Å; F62-I153 VanDerWaalsContact CE1-CD1 3.42Å; F62-I153 HydrophobicContact CZ-CD1 3.8Å
63I96Very high91.8Very high6 Ų626.9 Ų26.93%0.03116%0.155CC..EExtended strand (participates in β ladder)trans-124.9147.3165.666.7-177000109.9D49 R50 S69 Y70 F84 L87 D88 Q91D49-I63 CarbonylContact O-C 3.59Å; D49-I63 WeakPolarHBondContact O-CA 3.19Å; R50-I63 HydrophobicContact CB-CG2 4.47Å; R50-I63 HydrophobicContact CG-CG2 4.26Å; I63-S69 CarbonylContact O-C 3.37Å; I63-S69 WeakPolarHBondContact O-CA 3.25Å; I63-S69 PolarHBondContact O-OG 2.82Å; I63-Y70 HydrophobicContact CG1-CD2 4.08Å; I63-Y70 PolarHBondContact N-O 3.37Å; I63-Y70 PolarHBondContact O-N 2.71Å; I63-F84 HydrophobicContact CG2-CD1 3.68Å; I63-F84 HydrophobicContact CG2-CE1 4.02Å; I63-L87 HydrophobicContact CD1-CB 3.75Å; I63-L87 HydrophobicContact CG1-CB 3.95Å; I63-L87 HydrophobicContact CG2-CB 4.44Å; I63-L87 HydrophobicContact CG2-CD1 4.21Å; I63-D88 VanDerWaalsContact CD1-OD1 3.27Å; I63-D88 WeakPolarHBondContact CD1-OD1 3.47Å; I63-Q91 HydrophobicContact CD1-CB 4.12Å
64S95.1Very high91.8Very high23 Ų2326.9 Ų26.916%0.16116%0.155CC..EExtended strand (participates in β ladder)trans-124.6129.7178.8-56.40000109.8D49 V68 S69D49-S64 WeakPolarHBondContact CB-O 3.26Å; D49-S64 PolarHBondContact O-N 2.95Å; S64-V68 CarbonylContact C-O 3.53Å; S64-V68 WeakPolarHBondContact CA-O 3.41Å; S64-S69 WeakPolarHBondContact OG-CB 3.4Å; S64-S69 PolarHBondContact OG-OG 3.12Å
65S92Very high91.9Very high37 Ų3722.1 Ų22.126%0.25914%0.136SC..EExtended strand (participates in β ladder)trans-148.5140.6177.7-172.50000109G67 V68S65-G67 PolarHBondContact O-N 3.26Å; S65-G67 VanDerWaalsContact O-N 3.1Å; S65-V68 PolarHBondContact N-O 3.05Å; S65-V68 PolarHBondContact O-N 3.32Å
66L90.9Very high92.3Very high95 Ų9526 Ų2650%0.49716%0.156SC..THydrogen-bonded Turntrans56.233.7171.6-58.7174.9000114.6V68 I95 M100L66-V68 VanDerWaalsContact C-N 3.28Å; L66-V68 PolarHBondContact O-N 3.06Å; L66-I95 HydrophobicContact CD1-CD1 3.76Å; L66-I95 HydrophobicContact CD1-CG1 4.33Å; L66-M100 HydrophobicContact CB-CE 3.31Å; L66-M100 HydrophobicContact CD1-CE 3.27Å; L66-M100 HydrophobicContact CD2-CE 3.48Å; L66-M100 VanDerWaalsContact CD2-CE 3.48Å; L66-M100 HydrophobicContact CG-CE 3.44Å; L66-M100 VanDerWaalsContact CG-CE 3.44Å
67G90.9Very high92.7Very high36 Ų3627 Ų2737%0.37116%0.155SC..THydrogen-bonded Turntrans77.97.2-179.300000114.9V12 S65V12-G67 WeakPolarHBondContact CB-O 3.47Å; V12-G67 WeakPolarHBondContact CG2-O 3.21Å; V12-G67 PolarHBondContact N-O 3.38Å; S65-G67 PolarHBondContact O-N 3.26Å; S65-G67 VanDerWaalsContact O-N 3.1Å
68V95.9Very high93.1Very high7 Ų721 Ų214%0.04213%0.128CC..EExtended strand (participates in β ladder)trans-120.3138.5176.5-177.20000109.5V9 I10 L18 S64 S65 L66 Y70 F94 T103V9-V68 HydrophobicContact CG1-CG1 3.38Å; I10-V68 CarbonylContact O-C 3.52Å; L18-V68 HydrophobicContact CD1-CG1 4.01Å; L18-V68 HydrophobicContact CD1-CG2 4.18Å; S64-V68 CarbonylContact C-O 3.53Å; S64-V68 WeakPolarHBondContact CA-O 3.41Å; S65-V68 PolarHBondContact N-O 3.05Å; S65-V68 PolarHBondContact O-N 3.32Å; L66-V68 VanDerWaalsContact C-N 3.28Å; L66-V68 PolarHBondContact O-N 3.06Å; V68-Y70 HydrophobicContact CB-CE2 4.27Å; V68-Y70 HydrophobicContact CG1-CE1 4.1Å; V68-Y70 HydrophobicContact CG1-CE2 4.01Å; V68-F94 HydrophobicContact CG1-CD1 4.49Å; V68-F94 HydrophobicContact CG1-CE1 4.29Å; V68-F94 HydrophobicContact CG2-CE1 4.4Å; V68-T103 HydrophobicContact CG2-CG2 3.6Å
69S96.7Very high93.2Very high0 Ų021.7 Ų21.70%014%0.137CC..EExtended strand (participates in β ladder)trans-113.2135173.9-163.90000110.8V9 I10 L44 I63 S64V9-S69 WeakPolarHBondContact CA-O 3.19Å; I10-S69 PolarHBondContact N-O 3.1Å; I10-S69 PolarHBondContact O-N 2.96Å; L44-S69 WeakPolarHBondContact CD2-OG 3.43Å; I63-S69 CarbonylContact O-C 3.37Å; I63-S69 WeakPolarHBondContact O-CA 3.25Å; I63-S69 PolarHBondContact O-OG 2.82Å; S64-S69 WeakPolarHBondContact OG-CB 3.4Å; S64-S69 PolarHBondContact OG-OG 3.12Å
70Y97.3Very high93.2Very high2 Ų224.2 Ų24.21%0.00815%0.151CC..EExtended strand (participates in β ladder)trans-108.3112.8177.5-53.6-88.9000106.6V9 F62 I63 V68 L87 L90 Q91 F94V9-Y70 HydrophobicContact CG1-CD1 4.05Å; V9-Y70 HydrophobicContact CG1-CE1 3.83Å; V9-Y70 HydrophobicContact CG2-CD1 3.98Å; V9-Y70 HydrophobicContact CG2-CE1 4.28Å; F62-Y70 CarbonylContact C-O 3.57Å; F62-Y70 WeakPolarHBondContact CA-O 3.22Å; F62-Y70 WeakPolarHBondContact CB-O 3.11Å; I63-Y70 HydrophobicContact CG1-CD2 4.08Å; I63-Y70 PolarHBondContact N-O 3.37Å; I63-Y70 PolarHBondContact O-N 2.71Å; V68-Y70 HydrophobicContact CB-CE2 4.27Å; V68-Y70 HydrophobicContact CG1-CE1 4.1Å; V68-Y70 HydrophobicContact CG1-CE2 4.01Å; Y70-L87 WeakPolarHBondContact O-CD2 3.35Å; Y70-L90 HydrophobicContact CD1-CB 4.12Å; Y70-Q91 HydrophobicContact CD1-CB 4.42Å; Y70-Q91 HydrophobicContact CD2-CB 3.78Å; Y70-Q91 HydrophobicContact CD2-CG 4.09Å; Y70-Q91 HydrophobicContact CE1-CB 4.29Å; Y70-Q91 HydrophobicContact CE2-CB 3.63Å; Y70-Q91 HydrophobicContact CE2-CG 3.54Å; Y70-Q91 HydrophobicContact CG-CB 4.18Å; Y70-F94 HydrophobicContact CE1-CB 3.6Å; Y70-F94 HydrophobicContact CE1-CD1 4.15Å; Y70-F94 AromaticContact CE1-CG 3.89Å; Y70-F94 HydrophobicContact CE1-CG 3.89Å; Y70-F94 WeakPolarHBondContact OH-CD1 3.37Å
71M95.6Very high93.1Very high0 Ų025.9 Ų25.90%016%0.161CC..EExtended strand (participates in β ladder)trans-117.3143.6-174.1-53.6-174.863.200110A7 S8 I10 F37 L40 L44 I60 N61 F62A7-M71 CarbonylContact C-O 3.37Å; A7-M71 VanDerWaalsContact CA-O 3.24Å; A7-M71 WeakPolarHBondContact CA-O 3.36Å; A7-M71 WeakPolarHBondContact CB-O 3.43Å; S8-M71 PolarHBondContact N-O 3.29Å; S8-M71 PolarHBondContact O-N 3.08Å; I10-M71 HydrophobicContact CD1-CG 4.34Å; I10-M71 HydrophobicContact CD1-SD 3.46Å; I10-M71 WeakPolarHBondContact CD1-SD 3.43Å; F37-M71 HydrophobicContact CD1-CB 4.34Å; F37-M71 HydrophobicContact CD1-CE 3.9Å; F37-M71 HydrophobicContact CD1-SD 4.21Å; F37-M71 HydrophobicContact CE1-CB 3.6Å; F37-M71 HydrophobicContact CE1-CE 4.06Å; F37-M71 HydrophobicContact CE1-SD 4.39Å; F37-M71 HydrophobicContact CZ-CB 4.37Å; L40-M71 HydrophobicContact CB-CE 3.69Å; L40-M71 HydrophobicContact CD1-CE 3.63Å; L40-M71 HydrophobicContact CG-CE 4.31Å; L44-M71 HydrophobicContact CD1-SD 4.35Å; L44-M71 HydrophobicContact CD2-SD 4.33Å; I60-M71 HydrophobicContact CG2-CE 3.89Å; N61-M71 CarbonylContact O-C 3.5Å; N61-M71 WeakPolarHBondContact O-CA 3.28Å; F62-M71 HydrophobicContact CB-CB 4.01Å; F62-M71 HydrophobicContact CB-CG 3.58Å; F62-M71 HydrophobicContact CD1-CE 4.17Å; F62-M71 HydrophobicContact CG-CG 4.3Å
72M94.3Very high92.9Very high0 Ų027.5 Ų27.50%017%0.17CC..EExtended strand (participates in β ladder)trans-134.314817567.1177.1-77.600111.4I4 S6 A7 I60 N61 C74 Y78 A83 F86 L87I4-M72 HydrophobicContact CB-CE 4.37Å; I4-M72 HydrophobicContact CD1-CE 3.79Å; I4-M72 HydrophobicContact CG1-CE 3.64Å; I4-M72 HydrophobicContact CG2-CE 4.08Å; S6-M72 WeakPolarHBondContact O-CA 3.45Å; A7-M72 HydrophobicContact CB-CB 4.39Å; I60-M72 VanDerWaalsContact CA-O 3.3Å; I60-M72 WeakPolarHBondContact CA-O 3.48Å; N61-M72 HydrophobicContact CB-CG 3.85Å; N61-M72 HydrophobicContact CB-SD 4.32Å; N61-M72 PolarHBondContact N-O 3.02Å; N61-M72 PolarHBondContact O-N 3.01Å; M72-C74 HydrophobicContact CE-CB 3.73Å; M72-Y78 HydrophobicContact CE-CD1 4.2Å; M72-Y78 HydrophobicContact CE-CE1 4.17Å; M72-A83 HydrophobicContact CE-CB 3.79Å; M72-A83 VanDerWaalsContact SD-CA 3.53Å; M72-A83 HydrophobicContact SD-CB 3.59Å; M72-A83 VanDerWaalsContact SD-CB 3.59Å; M72-F86 HydrophobicContact CB-CD1 4.16Å; M72-F86 HydrophobicContact CB-CE1 3.94Å; M72-F86 HydrophobicContact CE-CD1 4.35Å; M72-F86 HydrophobicContact SD-CD1 3.68Å; M72-F86 HydrophobicContact SD-CE1 4.4Å; M72-F86 HydrophobicContact SD-CG 4.49Å; M72-L87 HydrophobicContact CB-CD2 3.86Å; M72-L87 HydrophobicContact CG-CD1 4.13Å; M72-L87 HydrophobicContact CG-CD2 3.84Å; M72-L87 HydrophobicContact CG-CG 4.05Å; M72-L87 HydrophobicContact SD-CD1 4.18Å; M72-L87 HydrophobicContact SD-CD2 4.14Å; M72-L87 HydrophobicContact SD-CG 3.84Å
73L92.9Very high92.8Very high4 Ų427.5 Ų27.52%0.02117%0.17CC..EExtended strand (participates in β ladder)trans-107.1126.6169.1-176.560.7000108.6L5 S6 M30 C33 F37 Y58 I60L5-L73 HydrophobicContact CB-CB 4.42Å; L5-L73 HydrophobicContact CB-CD2 4.18Å; L5-L73 HydrophobicContact CB-CG 4.17Å; L5-L73 HydrophobicContact CD1-CD2 4.19Å; L5-L73 HydrophobicContact CD1-CG 4.1Å; L5-L73 PolarHBondContact N-O 2.94Å; S6-L73 PolarHBondContact N-O 3.26Å; S6-L73 PolarHBondContact O-N 2.77Å; S6-L73 WeakPolarHBondContact OG-CB 3.31Å; M30-L73 HydrophobicContact CG-CD2 4.45Å; C33-L73 HydrophobicContact CB-CD1 3.75Å; C33-L73 HydrophobicContact CB-CD2 3.66Å; C33-L73 HydrophobicContact CB-CG 4.38Å; F37-L73 HydrophobicContact CE2-CB 3.76Å; F37-L73 HydrophobicContact CE2-CD1 4.25Å; F37-L73 HydrophobicContact CE2-CG 4.39Å; F37-L73 HydrophobicContact CZ-CB 3.96Å; Y58-L73 HydrophobicContact CG-CD1 4.45Å; I60-L73 HydrophobicContact CG1-CD1 3.77Å
74C91.7Very high92.7Very high0 Ų027.2 Ų27.20%017%0.168CC..EExtended strand (participates in β ladder)trans-137.5165.2174.562.60000111.1M3 Y58 N59 M72 Y78M3-C74 WeakPolarHBondContact O-CA 3.35Å; M3-C74 WeakPolarHBondContact O-CB 3.47Å; Y58-C74 CarbonylContact C-O 3.5Å; Y58-C74 VanDerWaalsContact CA-O 3.23Å; Y58-C74 WeakPolarHBondContact CA-O 3.29Å; Y58-C74 WeakPolarHBondContact CB-O 3.45Å; N59-C74 PolarHBondContact N-O 3.27Å; N59-C74 PolarHBondContact O-N 3.45Å; M72-C74 HydrophobicContact CE-CB 3.73Å; C74-Y78 HydrophobicContact CB-CD1 4.21Å; C74-Y78 HydrophobicContact CB-CG 3.92Å
75T91.1Very high92.7Very high14 Ų1426.7 Ų26.79%0.08616%0.164CC..EExtended strand (participates in β ladder)trans-62152.2168.453.80000110.7S2 M3 S77 Y78S2-T75 WeakPolarHBondContact CA-OG1 3.24Å; M3-T75 HydrophobicContact CG-CG2 4.04Å; M3-T75 PolarHBondContact N-OG1 2.97Å; M3-T75 PolarHBondContact O-N 2.79Å; M3-T75 PolarHBondContact O-OG1 3.23Å; T75-S77 PolarHBondContact O-N 3.04Å; T75-Y78 VanDerWaalsContact O-CB 3.28Å; T75-Y78 WeakPolarHBondContact O-CB 3.29Å; T75-Y78 PolarHBondContact O-N 3.13Å
76D89.4Confident92.8Very high83 Ų8324.9 Ų24.944%0.44415%0.152SC..THydrogen-bonded Turntrans-53.2-35.3177.264.7-22.1000114.5G56 H57 N59 Y78G56-D76 WeakPolarHBondContact O-CB 3.4Å; H57-D76 PolarHBondContact O-N 2.85Å; N59-D76 WeakPolarHBondContact ND2-CA 3.5Å; N59-D76 PolarHBondContact ND2-O 3.2Å; D76-Y78 VanDerWaalsContact C-N 3.26Å; D76-Y78 PolarHBondContact O-N 3.09Å
77S89.7Confident93.1Very high70 Ų7020.4 Ų20.449%0.4913%0.128SC..THydrogen-bonded Turntrans-77-1.9178.549.10000114.7T75T75-S77 PolarHBondContact O-N 3.04Å
78Y91.9Very high93.2Very high8 Ų819.9 Ų19.93%0.03112%0.117CC..SBendtrans-73.8128.3-178.4-161.7-94.2000111.7S2 I4 M72 C74 T75 D76 N80 L82 A83 Y126S2-Y78 WeakPolarHBondContact OG-CA 3.22Å; S2-Y78 WeakPolarHBondContact OG-CD2 3.44Å; I4-Y78 HydrophobicContact CD1-CE1 4.11Å; I4-Y78 HydrophobicContact CD1-CE2 4.47Å; I4-Y78 HydrophobicContact CG1-CD1 4.45Å; I4-Y78 HydrophobicContact CG1-CD2 4.3Å; I4-Y78 HydrophobicContact CG1-CE1 3.86Å; I4-Y78 HydrophobicContact CG1-CE2 3.73Å; I4-Y78 VanDerWaalsContact CG1-CZ 3.49Å; M72-Y78 HydrophobicContact CE-CD1 4.2Å; M72-Y78 HydrophobicContact CE-CE1 4.17Å; C74-Y78 HydrophobicContact CB-CD1 4.21Å; C74-Y78 HydrophobicContact CB-CG 3.92Å; T75-Y78 VanDerWaalsContact O-CB 3.28Å; T75-Y78 WeakPolarHBondContact O-CB 3.29Å; T75-Y78 PolarHBondContact O-N 3.13Å; D76-Y78 VanDerWaalsContact C-N 3.26Å; D76-Y78 PolarHBondContact O-N 3.09Å; Y78-N80 PolarHBondContact O-N 3.25Å; Y78-L82 HydrophobicContact CD1-CB 4.46Å; Y78-L82 HydrophobicContact CE1-CB 3.57Å; Y78-A83 HydrophobicContact CD1-CB 4.07Å; Y78-A83 HydrophobicContact CE1-CB 4.26Å; Y78-Y126 PolarHBondContact OH-O 3.04Å
79P91.1Very high93.2Very high60 Ų6021.6 Ų21.639%0.3912%0.124SC..  trans-62.4128.9-176.9-24.434.3000113V81 L82 A83P79-V81 VanDerWaalsContact C-N 3.26Å; P79-V81 PolarHBondContact O-N 3.21Å; P79-L82 HydrophobicContact CB-CB 4.36Å; P79-L82 HydrophobicContact CB-CD1 4.17Å; P79-L82 HydrophobicContact CB-CG 4.14Å; P79-L82 HydrophobicContact CG-CD1 3.94Å; P79-L82 HydrophobicContact CG-CG 4.46Å; P79-L82 PolarHBondContact O-N 3.17Å; P79-A83 PolarHBondContact O-N 3.04Å
80N90.3Very high93.2Very high63 Ų6321.6 Ų21.634%0.33712%0.124SC..Hα-helixtrans-57.3-38179.5-75.9-23.9000113Y78 L82 A83 F84Y78-N80 PolarHBondContact O-N 3.25Å; N80-L82 VanDerWaalsContact C-N 3.3Å; N80-L82 PolarHBondContact O-N 2.99Å; N80-A83 WeakPolarHBondContact O-CB 3.34Å; N80-A83 PolarHBondContact O-N 3.12Å; N80-A83 VanDerWaalsContact O-N 3.15Å; N80-F84 HydrophobicContact CB-CD2 4.44Å; N80-F84 HydrophobicContact CB-CE2 4.44Å; N80-F84 WeakPolarHBondContact O-CD2 3.22Å; N80-F84 PolarHBondContact O-N 3.2Å
81V90.4Very high93.1Very high35 Ų3523.2 Ų23.221%0.21213%0.132CC..Hα-helixtrans-58.8-43.6177.4-176.40000111.1P79 S85 L138 M141 Q142 I145P79-V81 VanDerWaalsContact C-N 3.26Å; P79-V81 PolarHBondContact O-N 3.21Å; V81-S85 WeakPolarHBondContact O-CB 3.17Å; V81-S85 PolarHBondContact O-N 3.31Å; V81-L138 HydrophobicContact CG1-CD2 4.05Å; V81-M141 HydrophobicContact CG1-CB 4.01Å; V81-Q142 HydrophobicContact CG1-CB 4.36Å; V81-Q142 HydrophobicContact CG2-CB 4.3Å; V81-Q142 HydrophobicContact CG2-CG 4.4Å; V81-I145 HydrophobicContact CB-CD1 4.27Å; V81-I145 HydrophobicContact CG2-CD1 4.08Å
82L92.4Very high93.1Very high35 Ų3529.5 Ų29.518%0.18316%0.159CC..Hα-helixtrans-70.4-36.5176.6-64.1-179.2000111.7Y78 P79 N80 F86 L132 L138Y78-L82 HydrophobicContact CD1-CB 4.46Å; Y78-L82 HydrophobicContact CE1-CB 3.57Å; P79-L82 HydrophobicContact CB-CB 4.36Å; P79-L82 HydrophobicContact CB-CD1 4.17Å; P79-L82 HydrophobicContact CB-CG 4.14Å; P79-L82 HydrophobicContact CG-CD1 3.94Å; P79-L82 HydrophobicContact CG-CG 4.46Å; P79-L82 PolarHBondContact O-N 3.17Å; N80-L82 VanDerWaalsContact C-N 3.3Å; N80-L82 PolarHBondContact O-N 2.99Å; L82-F86 VanDerWaalsContact O-CB 3.31Å; L82-F86 WeakPolarHBondContact O-CB 3.43Å; L82-F86 PolarHBondContact O-N 2.9Å; L82-L132 HydrophobicContact CD2-CD2 4Å; L82-L138 HydrophobicContact CD2-CD2 3.58Å
83A94.2Very high93.2Very high0 Ų033 Ų330%018%0.176CC..Hα-helixtrans-61.7-51.417800000111.7N61 M72 Y78 P79 N80 F86 L87N61-A83 HydrophobicContact CB-CB 4.48Å; N61-A83 WeakPolarHBondContact ND2-CB 3.47Å; M72-A83 HydrophobicContact CE-CB 3.79Å; M72-A83 VanDerWaalsContact SD-CA 3.53Å; M72-A83 HydrophobicContact SD-CB 3.59Å; M72-A83 VanDerWaalsContact SD-CB 3.59Å; Y78-A83 HydrophobicContact CD1-CB 4.07Å; Y78-A83 HydrophobicContact CE1-CB 4.26Å; P79-A83 PolarHBondContact O-N 3.04Å; N80-A83 WeakPolarHBondContact O-CB 3.34Å; N80-A83 PolarHBondContact O-N 3.12Å; N80-A83 VanDerWaalsContact O-N 3.15Å; A83-F86 WeakPolarHBondContact O-CB 3.42Å; A83-F86 PolarHBondContact O-N 2.99Å; A83-L87 WeakPolarHBondContact O-CG 3.4Å; A83-L87 PolarHBondContact O-N 3.27Å; A83-L87 VanDerWaalsContact O-N 3.08Å
84F94.2Very high93.3Very high0 Ų033 Ų330%018%0.176CC..Hα-helixtrans-72.4-32.9179.9-69.6-70.3000112.4R50 N61 I63 N80 F86 L87 D88 M141 I145 P150R50-F84 HydrophobicContact CG-CD1 3.96Å; R50-F84 HydrophobicContact CG-CE1 3.48Å; R50-F84 VanDerWaalsContact CG-CE1 3.48Å; R50-F84 HydrophobicContact CG-CZ 4Å; N61-F84 HydrophobicContact CB-CE1 4.31Å; N61-F84 HydrophobicContact CB-CZ 4.11Å; I63-F84 HydrophobicContact CG2-CD1 3.68Å; I63-F84 HydrophobicContact CG2-CE1 4.02Å; N80-F84 HydrophobicContact CB-CD2 4.44Å; N80-F84 HydrophobicContact CB-CE2 4.44Å; N80-F84 WeakPolarHBondContact O-CD2 3.22Å; N80-F84 PolarHBondContact O-N 3.2Å; F84-F86 VanDerWaalsContact C-N 3.33Å; F84-F86 PolarHBondContact O-N 2.92Å; F84-L87 HydrophobicContact CD1-CD1 4.02Å; F84-L87 HydrophobicContact CE1-CD1 4.2Å; F84-L87 PolarHBondContact O-N 3.44Å; F84-D88 WeakPolarHBondContact O-CB 3.49Å; F84-D88 PolarHBondContact O-N 3.23Å; F84-M141 HydrophobicContact CB-SD 4.04Å; F84-I145 HydrophobicContact CB-CD1 4.09Å; F84-I145 HydrophobicContact CD2-CD1 3.92Å; F84-I145 HydrophobicContact CD2-CG1 4.34Å; F84-I145 HydrophobicContact CG-CD1 4.4Å; F84-P150 HydrophobicContact CE1-CB 4.34Å; F84-P150 HydrophobicContact CE2-CB 3.86Å; F84-P150 HydrophobicContact CE2-CG 3.76Å; F84-P150 HydrophobicContact CZ-CB 3.46Å; F84-P150 VanDerWaalsContact CZ-CB 3.46Å; F84-P150 HydrophobicContact CZ-CG 3.9Å
85S93.4Very high93.5Very high11 Ų1136.2 Ų36.28%0.07719%0.192CC..Hα-helixtrans-60-42.1169.9-1780000112.3V81 D88 E89 Y126 I136V81-S85 WeakPolarHBondContact O-CB 3.17Å; V81-S85 PolarHBondContact O-N 3.31Å; S85-D88 PolarHBondContact O-N 2.95Å; S85-E89 PolarHBondContact O-N 2.87Å; S85-E89 VanDerWaalsContact O-N 3.09Å; S85-Y126 PolarHBondContact O-OH 3.2Å; S85-Y126 PolarHBondContact OG-OH 3.33Å; S85-I136 WeakPolarHBondContact OG-CG2 3.42Å
86F94.8Very high93.6Very high0 Ų041.1 Ų41.10%022%0.222CC..Hα-helixtrans-61-47175.4168.8-97000111.4I4 A7 M72 L82 A83 F84 D88 E89 L90 T122 K123 Y126I4-F86 HydrophobicContact CD1-CB 4.08Å; I4-F86 HydrophobicContact CD1-CD1 4.04Å; I4-F86 HydrophobicContact CD1-CD2 3.69Å; I4-F86 HydrophobicContact CD1-CE1 4.4Å; I4-F86 HydrophobicContact CD1-CE2 4.1Å; I4-F86 HydrophobicContact CD1-CG 3.65Å; I4-F86 HydrophobicContact CD1-CZ 4.42Å; I4-F86 HydrophobicContact CG2-CE1 4.49Å; I4-F86 HydrophobicContact CG2-CZ 4.5Å; A7-F86 HydrophobicContact CB-CE1 3.76Å; A7-F86 HydrophobicContact CB-CZ 3.84Å; M72-F86 HydrophobicContact CB-CD1 4.16Å; M72-F86 HydrophobicContact CB-CE1 3.94Å; M72-F86 HydrophobicContact CE-CD1 4.35Å; M72-F86 HydrophobicContact SD-CD1 3.68Å; M72-F86 HydrophobicContact SD-CE1 4.4Å; M72-F86 HydrophobicContact SD-CG 4.49Å; L82-F86 VanDerWaalsContact O-CB 3.31Å; L82-F86 WeakPolarHBondContact O-CB 3.43Å; L82-F86 PolarHBondContact O-N 2.9Å; A83-F86 WeakPolarHBondContact O-CB 3.42Å; A83-F86 PolarHBondContact O-N 2.99Å; F84-F86 VanDerWaalsContact C-N 3.33Å; F84-F86 PolarHBondContact O-N 2.92Å; F86-D88 PolarHBondContact O-N 3.23Å; F86-E89 PolarHBondContact O-N 3.09Å; F86-L90 HydrophobicContact CD1-CD1 4.22Å; F86-L90 HydrophobicContact CD1-CG 4.49Å; F86-L90 HydrophobicContact CE1-CD1 3.46Å; F86-L90 VanDerWaalsContact CE1-CD1 3.46Å; F86-L90 HydrophobicContact CE1-CG 4.06Å; F86-L90 HydrophobicContact CE2-CD1 4.43Å; F86-L90 HydrophobicContact CE2-CD2 4.34Å; F86-L90 HydrophobicContact CE2-CG 4.36Å; F86-L90 HydrophobicContact CZ-CD1 3.59Å; F86-L90 HydrophobicContact CZ-CD2 4.19Å; F86-L90 HydrophobicContact CZ-CG 3.99Å; F86-L90 WeakPolarHBondContact O-CG 3.38Å; F86-L90 PolarHBondContact O-N 3.42Å; F86-T122 HydrophobicContact CD2-CG2 3.77Å; F86-T122 HydrophobicContact CE2-CG2 3.81Å; F86-K123 HydrophobicContact CE2-CB 4.2Å; F86-Y126 HydrophobicContact CB-CD1 3.71Å; F86-Y126 HydrophobicContact CB-CD2 4.43Å; F86-Y126 HydrophobicContact CB-CE1 3.77Å; F86-Y126 HydrophobicContact CB-CE2 4.46Å; F86-Y126 HydrophobicContact CB-CG 4.05Å; F86-Y126 HydrophobicContact CD2-CD1 4.44Å; F86-Y126 AromaticContact CD2-CD2 3.85Å; F86-Y126 HydrophobicContact CD2-CD2 3.85Å; F86-Y126 HydrophobicContact CD2-CE2 4.3Å; F86-Y126 AromaticContact CD2-CG 3.9Å; F86-Y126 HydrophobicContact CD2-CG 3.9Å; F86-Y126 HydrophobicContact CG-CG 4.45Å
87L96.3Very high93.9Very high0 Ų040.4 Ų40.40%022%0.221CC..Hα-helixtrans-63.9-39.3179.2-68176000112.5N61 I63 Y70 M72 A83 F84 E89 L90 Q91N61-L87 HydrophobicContact CB-CD1 4.08Å; I63-L87 HydrophobicContact CD1-CB 3.75Å; I63-L87 HydrophobicContact CG1-CB 3.95Å; I63-L87 HydrophobicContact CG2-CB 4.44Å; I63-L87 HydrophobicContact CG2-CD1 4.21Å; Y70-L87 WeakPolarHBondContact O-CD2 3.35Å; M72-L87 HydrophobicContact CB-CD2 3.86Å; M72-L87 HydrophobicContact CG-CD1 4.13Å; M72-L87 HydrophobicContact CG-CD2 3.84Å; M72-L87 HydrophobicContact CG-CG 4.05Å; M72-L87 HydrophobicContact SD-CD1 4.18Å; M72-L87 HydrophobicContact SD-CD2 4.14Å; M72-L87 HydrophobicContact SD-CG 3.84Å; A83-L87 WeakPolarHBondContact O-CG 3.4Å; A83-L87 PolarHBondContact O-N 3.27Å; A83-L87 VanDerWaalsContact O-N 3.08Å; F84-L87 HydrophobicContact CD1-CD1 4.02Å; F84-L87 HydrophobicContact CE1-CD1 4.2Å; F84-L87 PolarHBondContact O-N 3.44Å; L87-E89 VanDerWaalsContact C-N 3.34Å; L87-L90 PolarHBondContact O-N 3.42Å; L87-Q91 WeakPolarHBondContact O-CB 3.31Å; L87-Q91 PolarHBondContact O-N 2.98Å
88D94.6Very high94Very high25 Ų2539 Ų3913%0.13421%0.205CC..Hα-helixtrans-62-40.9175-91.619.9000112I63 F84 S85 F86 Q91 K92I63-D88 VanDerWaalsContact CD1-OD1 3.27Å; I63-D88 WeakPolarHBondContact CD1-OD1 3.47Å; F84-D88 WeakPolarHBondContact O-CB 3.49Å; F84-D88 PolarHBondContact O-N 3.23Å; S85-D88 PolarHBondContact O-N 2.95Å; F86-D88 PolarHBondContact O-N 3.23Å; D88-Q91 PolarHBondContact O-N 3.24Å; D88-K92 WeakPolarHBondContact O-CB 3.47Å; D88-K92 VanDerWaalsContact O-CG 3.29Å; D88-K92 WeakPolarHBondContact O-CG 3.47Å; D88-K92 PolarHBondContact O-N 3.48Å
89E95Very high93.9Very high43 Ų4343.2 Ų43.220%0.20123%0.228CC..Hα-helixtrans-66-41.6176.3-170.8171.2158.500111.4S85 F86 L87 Q91 E93 F118 T122 R125 Y126S85-E89 PolarHBondContact O-N 2.87Å; S85-E89 VanDerWaalsContact O-N 3.09Å; F86-E89 PolarHBondContact O-N 3.09Å; L87-E89 VanDerWaalsContact C-N 3.34Å; E89-Q91 VanDerWaalsContact C-N 3.33Å; E89-Q91 PolarHBondContact O-N 2.91Å; E89-E93 WeakPolarHBondContact O-CB 3.4Å; E89-E93 PolarHBondContact O-N 2.99Å; E89-E93 VanDerWaalsContact O-N 3.07Å; E89-F118 HydrophobicContact CG-CZ 4.1Å; E89-T122 HydrophobicContact CG-CG2 4.22Å; E89-R125 IonicContact OE1-CZ 3.41Å; E89-R125 VanDerWaalsContact OE1-CZ 3.27Å; E89-R125 IonicContact OE1-NH1 3.62Å; E89-R125 PolarHBondContact OE1-NH1 3.23Å; E89-R125 IonicContact OE1-NH2 2.65Å; E89-R125 PolarHBondContact OE1-NH2 2.64Å; E89-R125 VanDerWaalsContact OE1-NH2 3.12Å; E89-R125 IonicContact OE2-NH1 2.64Å; E89-Y126 WeakPolarHBondContact OE2-CE2 3.27Å; E89-Y126 PolarHBondContact OE2-OH 2.95Å
90L96.5Very high93.7Very high0 Ų044.6 Ų44.60%023%0.231CC..Hα-helixtrans-61.4-41.9172.5-66.1-169.2000112.1A7 Y70 F86 L87 F94 F115 F118 I119 T122A7-L90 HydrophobicContact CB-CD1 4.12Å; Y70-L90 HydrophobicContact CD1-CB 4.12Å; F86-L90 HydrophobicContact CD1-CD1 4.22Å; F86-L90 HydrophobicContact CD1-CG 4.49Å; F86-L90 HydrophobicContact CE1-CD1 3.46Å; F86-L90 VanDerWaalsContact CE1-CD1 3.46Å; F86-L90 HydrophobicContact CE1-CG 4.06Å; F86-L90 HydrophobicContact CE2-CD1 4.43Å; F86-L90 HydrophobicContact CE2-CD2 4.34Å; F86-L90 HydrophobicContact CE2-CG 4.36Å; F86-L90 HydrophobicContact CZ-CD1 3.59Å; F86-L90 HydrophobicContact CZ-CD2 4.19Å; F86-L90 HydrophobicContact CZ-CG 3.99Å; F86-L90 WeakPolarHBondContact O-CG 3.38Å; F86-L90 PolarHBondContact O-N 3.42Å; L87-L90 PolarHBondContact O-N 3.42Å; L90-F94 VanDerWaalsContact O-CB 3.23Å; L90-F94 WeakPolarHBondContact O-CB 3.31Å; L90-F94 PolarHBondContact O-N 3.27Å; L90-F115 HydrophobicContact CD2-CE1 4.39Å; L90-F115 HydrophobicContact CD2-CZ 4.46Å; L90-F118 HydrophobicContact CD2-CD1 3.8Å; L90-F118 HydrophobicContact CD2-CE1 3.77Å; L90-I119 HydrophobicContact CD2-CG1 4.11Å; L90-T122 HydrophobicContact CD2-CG2 4.48Å
91Q95.9Very high93.5Very high37 Ų3748.6 Ų48.617%0.17325%0.249CC..Hα-helixtrans-62.1-52.5179.1175.4-179.6110.900111.5I63 Y70 L87 D88 E89 E93 F94 I95I63-Q91 HydrophobicContact CD1-CB 4.12Å; Y70-Q91 HydrophobicContact CD1-CB 4.42Å; Y70-Q91 HydrophobicContact CD2-CB 3.78Å; Y70-Q91 HydrophobicContact CD2-CG 4.09Å; Y70-Q91 HydrophobicContact CE1-CB 4.29Å; Y70-Q91 HydrophobicContact CE2-CB 3.63Å; Y70-Q91 HydrophobicContact CE2-CG 3.54Å; Y70-Q91 HydrophobicContact CG-CB 4.18Å; L87-Q91 WeakPolarHBondContact O-CB 3.31Å; L87-Q91 PolarHBondContact O-N 2.98Å; D88-Q91 PolarHBondContact O-N 3.24Å; E89-Q91 VanDerWaalsContact C-N 3.33Å; E89-Q91 PolarHBondContact O-N 2.91Å; Q91-E93 VanDerWaalsContact C-N 3.34Å; Q91-E93 PolarHBondContact O-N 2.95Å; Q91-F94 PolarHBondContact O-N 3.35Å; Q91-I95 HydrophobicContact CG-CD1 3.59Å; Q91-I95 HydrophobicContact CG-CG1 4.44Å; Q91-I95 WeakPolarHBondContact O-CB 3.46Å; Q91-I95 VanDerWaalsContact O-CG1 3.28Å; Q91-I95 WeakPolarHBondContact O-CG1 3.2Å; Q91-I95 PolarHBondContact O-N 3.08Å
92K95.1Very high93.4Very high131 Ų13153.9 Ų53.957%0.5727%0.269SS*.Hα-helixtrans-58.6-46.9-179-73167.9-173.51670111.3D88 T96D88-K92 WeakPolarHBondContact O-CB 3.47Å; D88-K92 VanDerWaalsContact O-CG 3.29Å; D88-K92 WeakPolarHBondContact O-CG 3.47Å; D88-K92 PolarHBondContact O-N 3.48Å; K92-T96 WeakPolarHBondContact O-CB 3.48Å; K92-T96 PolarHBondContact O-N 3.15Å; K92-T96 VanDerWaalsContact O-N 3.08Å; K92-T96 PolarHBondContact O-OG1 2.9Å
93E96.3Very high93.2Very high75 Ų7552.4 Ų52.435%0.3526%0.262SS..Hα-helixtrans-63.7-50.2178.3-171.570.9-167.400110.8E89 Q91 I95 T96 T97 F115 F118E89-E93 WeakPolarHBondContact O-CB 3.4Å; E89-E93 PolarHBondContact O-N 2.99Å; E89-E93 VanDerWaalsContact O-N 3.07Å; Q91-E93 VanDerWaalsContact C-N 3.34Å; Q91-E93 PolarHBondContact O-N 2.95Å; E93-I95 VanDerWaalsContact C-N 3.32Å; E93-I95 PolarHBondContact O-N 3.31Å; E93-T96 CarbonylContact O-C 3.54Å; E93-T96 WeakPolarHBondContact O-CA 3.46Å; E93-T96 WeakPolarHBondContact O-CB 3.43Å; E93-T96 PolarHBondContact O-N 2.98Å; E93-T97 PolarHBondContact O-N 3.39Å; E93-T97 PolarHBondContact O-OG1 3.06Å; E93-T97 PolarHBondContact OE1-OG1 3.22Å; E93-F115 HydrophobicContact CB-CE2 4.1Å; E93-F115 HydrophobicContact CB-CZ 4.27Å; E93-F115 HydrophobicContact CG-CE2 3.76Å; E93-F115 HydrophobicContact CG-CZ 4.4Å; E93-F118 HydrophobicContact CB-CD1 3.97Å; E93-F118 HydrophobicContact CB-CD2 4.47Å; E93-F118 HydrophobicContact CB-CE1 3.41Å; E93-F118 VanDerWaalsContact CB-CE1 3.41Å; E93-F118 HydrophobicContact CB-CE2 3.98Å; E93-F118 HydrophobicContact CB-CG 4.46Å; E93-F118 HydrophobicContact CB-CZ 3.42Å; E93-F118 VanDerWaalsContact CB-CZ 3.42Å; E93-F118 HydrophobicContact CG-CD1 3.83Å; E93-F118 HydrophobicContact CG-CD2 3.69Å; E93-F118 HydrophobicContact CG-CE1 3.68Å; E93-F118 HydrophobicContact CG-CE2 3.53Å; E93-F118 HydrophobicContact CG-CG 3.83Å; E93-F118 HydrophobicContact CG-CZ 3.53Å
94F96.1Very high92.9Very high4 Ų455.4 Ų55.42%0.01828%0.278CS..Hα-helixtrans-60.4-40.8-176.6-170.8-89.1000112.8V9 L18 V68 Y70 L90 Q91 T96 Y98 T103 F112 F115V9-F94 HydrophobicContact CB-CE2 4.47Å; V9-F94 HydrophobicContact CG1-CD1 4.42Å; V9-F94 HydrophobicContact CG1-CD2 4.02Å; V9-F94 HydrophobicContact CG1-CE1 4.27Å; V9-F94 HydrophobicContact CG1-CE2 3.87Å; V9-F94 HydrophobicContact CG1-CG 4.31Å; V9-F94 HydrophobicContact CG1-CZ 4Å; V9-F94 HydrophobicContact CG2-CD2 4.36Å; L18-F94 HydrophobicContact CB-CZ 4.45Å; L18-F94 HydrophobicContact CD1-CE1 4.45Å; L18-F94 HydrophobicContact CD1-CZ 4.08Å; V68-F94 HydrophobicContact CG1-CD1 4.49Å; V68-F94 HydrophobicContact CG1-CE1 4.29Å; V68-F94 HydrophobicContact CG2-CE1 4.4Å; Y70-F94 HydrophobicContact CE1-CB 3.6Å; Y70-F94 HydrophobicContact CE1-CD1 4.15Å; Y70-F94 AromaticContact CE1-CG 3.89Å; Y70-F94 HydrophobicContact CE1-CG 3.89Å; Y70-F94 WeakPolarHBondContact OH-CD1 3.37Å; L90-F94 VanDerWaalsContact O-CB 3.23Å; L90-F94 WeakPolarHBondContact O-CB 3.31Å; L90-F94 PolarHBondContact O-N 3.27Å; Q91-F94 PolarHBondContact O-N 3.35Å; F94-T96 VanDerWaalsContact C-N 3.3Å; F94-Y98 HydrophobicContact CD1-CD2 4.46Å; F94-Y98 AromaticContact CD2-CD2 3.51Å; F94-Y98 HydrophobicContact CD2-CD2 3.51Å; F94-Y98 AromaticContact CD2-CE2 3.84Å; F94-Y98 HydrophobicContact CD2-CE2 3.84Å; F94-Y98 HydrophobicContact CE1-CD2 4.43Å; F94-Y98 AromaticContact CE2-CD2 3.47Å; F94-Y98 HydrophobicContact CE2-CD2 3.47Å; F94-Y98 VanDerWaalsContact CE2-CD2 3.47Å; F94-Y98 AromaticContact CE2-CE2 3.83Å; F94-Y98 HydrophobicContact CE2-CE2 3.83Å; F94-Y98 HydrophobicContact CE2-CG 4.35Å; F94-Y98 HydrophobicContact CG-CD2 4.02Å; F94-Y98 AromaticContact CZ-CD2 3.96Å; F94-Y98 HydrophobicContact CZ-CD2 3.96Å; F94-Y98 HydrophobicContact CZ-CG 4.46Å; F94-Y98 PolarHBondContact O-N 3.37Å; F94-T103 HydrophobicContact CE1-CG2 4.15Å; F94-T103 HydrophobicContact CZ-CG2 4.44Å; F94-F112 HydrophobicContact CE2-CB 4.17Å; F94-F112 HydrophobicContact CE2-CG 4.32Å; F94-F112 HydrophobicContact CZ-CD2 4.25Å; F94-F112 HydrophobicContact CZ-CG 4.26Å; F94-F115 HydrophobicContact CB-CE1 4.25Å; F94-F115 HydrophobicContact CB-CE2 4.1Å; F94-F115 HydrophobicContact CB-CZ 3.77Å; F94-F115 AromaticContact CD2-CD1 3.86Å; F94-F115 HydrophobicContact CD2-CD1 3.86Å; F94-F115 HydrophobicContact CD2-CD2 4.17Å; F94-F115 AromaticContact CD2-CE1 3.92Å; F94-F115 HydrophobicContact CD2-CE1 3.92Å; F94-F115 HydrophobicContact CD2-CE2 4.2Å; F94-F115 AromaticContact CD2-CG 4Å; F94-F115 HydrophobicContact CD2-CG 4Å; F94-F115 HydrophobicContact CD2-CZ 4.09Å; F94-F115 HydrophobicContact CG-CZ 4.46Å
95I94.3Very high92.7Very high67 Ų6760.3 Ų60.334%0.34431%0.308SS..Hα-helixtrans-64.9-36.5175.8-68.4169.3000110.9L66 Q91 E93L66-I95 HydrophobicContact CD1-CD1 3.76Å; L66-I95 HydrophobicContact CD1-CG1 4.33Å; Q91-I95 HydrophobicContact CG-CD1 3.59Å; Q91-I95 HydrophobicContact CG-CG1 4.44Å; Q91-I95 WeakPolarHBondContact O-CB 3.46Å; Q91-I95 VanDerWaalsContact O-CG1 3.28Å; Q91-I95 WeakPolarHBondContact O-CG1 3.2Å; Q91-I95 PolarHBondContact O-N 3.08Å; E93-I95 VanDerWaalsContact C-N 3.32Å; E93-I95 PolarHBondContact O-N 3.31Å
96T94.9Very high92.6Very high116 Ų11660.2 Ų60.271%0.71231%0.308SS*.Hα-helixtrans-74.2-41.5179.9-56.30000111.7K92 E93 F94K92-T96 WeakPolarHBondContact O-CB 3.48Å; K92-T96 PolarHBondContact O-N 3.15Å; K92-T96 VanDerWaalsContact O-N 3.08Å; K92-T96 PolarHBondContact O-OG1 2.9Å; E93-T96 CarbonylContact O-C 3.54Å; E93-T96 WeakPolarHBondContact O-CA 3.46Å; E93-T96 WeakPolarHBondContact O-CB 3.43Å; E93-T96 PolarHBondContact O-N 2.98Å; F94-T96 VanDerWaalsContact C-N 3.3Å
97T94.6Very high92.5Very high69 Ų6966.3 Ų66.342%0.42335%0.345SS..Hα-helixtrans-78-38.4-176.5-45.20000112.7E93E93-T97 PolarHBondContact O-N 3.39Å; E93-T97 PolarHBondContact O-OG1 3.06Å; E93-T97 PolarHBondContact OE1-OG1 3.22Å
98Y92.8Very high92.3Very high40 Ų4075.4 Ų75.416%0.15738%0.379CS..SBendtrans-117.5134.6-170.3-59.4-67.9000113.4F94 M100 F112 F115F94-Y98 HydrophobicContact CD1-CD2 4.46Å; F94-Y98 AromaticContact CD2-CD2 3.51Å; F94-Y98 HydrophobicContact CD2-CD2 3.51Å; F94-Y98 AromaticContact CD2-CE2 3.84Å; F94-Y98 HydrophobicContact CD2-CE2 3.84Å; F94-Y98 HydrophobicContact CE1-CD2 4.43Å; F94-Y98 AromaticContact CE2-CD2 3.47Å; F94-Y98 HydrophobicContact CE2-CD2 3.47Å; F94-Y98 VanDerWaalsContact CE2-CD2 3.47Å; F94-Y98 AromaticContact CE2-CE2 3.83Å; F94-Y98 HydrophobicContact CE2-CE2 3.83Å; F94-Y98 HydrophobicContact CE2-CG 4.35Å; F94-Y98 HydrophobicContact CG-CD2 4.02Å; F94-Y98 AromaticContact CZ-CD2 3.96Å; F94-Y98 HydrophobicContact CZ-CD2 3.96Å; F94-Y98 HydrophobicContact CZ-CG 4.46Å; F94-Y98 PolarHBondContact O-N 3.37Å; Y98-M100 PolarHBondContact O-N 2.85Å; Y98-F112 AromaticContact CD1-CD1 3.39Å; Y98-F112 HydrophobicContact CD1-CD1 3.39Å; Y98-F112 AromaticContact CD1-CE1 3.75Å; Y98-F112 HydrophobicContact CD1-CE1 3.75Å; Y98-F112 HydrophobicContact CD1-CG 4.48Å; Y98-F112 HydrophobicContact CD2-CD1 4.25Å; Y98-F112 HydrophobicContact CE1-CB 4.47Å; Y98-F112 AromaticContact CE1-CD1 3.59Å; Y98-F112 HydrophobicContact CE1-CD1 3.59Å; Y98-F112 HydrophobicContact CE1-CE1 4.35Å; Y98-F112 HydrophobicContact CE1-CG 4.49Å; Y98-F112 HydrophobicContact CE2-CB 4.31Å; Y98-F112 HydrophobicContact CE2-CD1 4.39Å; Y98-F112 AromaticContact CG-CD1 3.74Å; Y98-F112 HydrophobicContact CG-CD1 3.74Å; Y98-F112 HydrophobicContact CG-CE1 4.05Å; Y98-F115 HydrophobicContact CE2-CB 3.81Å; Y98-F115 AromaticContact CE2-CD2 3.63Å; Y98-F115 HydrophobicContact CE2-CD2 3.63Å; Y98-F115 HydrophobicContact CE2-CE2 4.49Å; Y98-F115 AromaticContact CE2-CG 3.93Å; Y98-F115 HydrophobicContact CE2-CG 3.93Å; Y98-F115 PolarHBondContact OH-N 2.84Å
99N89.1Confident92.3Very high97 Ų9777.4 Ų77.452%0.51939%0.393SS..  trans-71128177.1-173.7-49.8000111.5M101 K102 T103N99-M101 VanDerWaalsContact C-N 3.29Å; N99-M101 PolarHBondContact O-N 3.14Å; N99-M101 VanDerWaalsContact OD1-CB 3.29Å; N99-M101 WeakPolarHBondContact OD1-CB 3.26Å; N99-M101 PolarHBondContact OD1-N 3.45Å; N99-K102 HydrophobicContact CB-CG 4.39Å; N99-K102 WeakPolarHBondContact O-CB 3.45Å; N99-K102 PolarHBondContact O-N 3.36Å; N99-T103 PolarHBondContact O-N 2.86Å; N99-T103 VanDerWaalsContact O-N 3.08Å; N99-T103 PolarHBondContact O-OG1 2.79Å
100M86.9Confident92.2Very high89 Ų8980.2 Ų80.244%0.43840%0.403SS..Hα-helixtrans-49.8-42.1175.4-81.1170.4134.200114.9L66 Y98 K102 T103 N104L66-M100 HydrophobicContact CB-CE 3.31Å; L66-M100 HydrophobicContact CD1-CE 3.27Å; L66-M100 HydrophobicContact CD2-CE 3.48Å; L66-M100 VanDerWaalsContact CD2-CE 3.48Å; L66-M100 HydrophobicContact CG-CE 3.44Å; L66-M100 VanDerWaalsContact CG-CE 3.44Å; Y98-M100 PolarHBondContact O-N 2.85Å; M100-K102 VanDerWaalsContact C-N 3.3Å; M100-K102 PolarHBondContact O-N 2.82Å; M100-T103 WeakPolarHBondContact O-CB 3.12Å; M100-T103 PolarHBondContact O-N 2.91Å; M100-N104 WeakPolarHBondContact O-CB 3.07Å; M100-N104 PolarHBondContact O-N 2.78Å; M100-N104 PolarHBondContact O-ND2 3.46Å
101M86Confident92.2Very high146 Ų14683 Ų8372%0.71942%0.422SS*.Hα-helixtrans-59.8-44.2179.2-72.1-101.6-82.100110.5N99 N104 T105N99-M101 VanDerWaalsContact C-N 3.29Å; N99-M101 PolarHBondContact O-N 3.14Å; N99-M101 VanDerWaalsContact OD1-CB 3.29Å; N99-M101 WeakPolarHBondContact OD1-CB 3.26Å; N99-M101 PolarHBondContact OD1-N 3.45Å; M101-N104 PolarHBondContact O-N 2.86Å; M101-T105 WeakPolarHBondContact O-CG2 3.46Å; M101-T105 PolarHBondContact O-N 3.34Å; M101-T105 PolarHBondContact O-OG1 3.18Å
102K87.3Confident92.1Very high146 Ų14682.2 Ų82.264%0.63542%0.418SS*.Hα-helixtrans-65.1-39.8176.5-68.9-172.8175.9-178.30111.5N99 M100 N104 T105 A106 F112N99-K102 HydrophobicContact CB-CG 4.39Å; N99-K102 WeakPolarHBondContact O-CB 3.45Å; N99-K102 PolarHBondContact O-N 3.36Å; M100-K102 VanDerWaalsContact C-N 3.3Å; M100-K102 PolarHBondContact O-N 2.82Å; K102-N104 VanDerWaalsContact C-N 3.33Å; K102-N104 PolarHBondContact O-N 2.8Å; K102-T105 PolarHBondContact O-N 3.24Å; K102-T105 PolarHBondContact O-OG1 3.38Å; K102-A106 PolarHBondContact O-N 2.95Å; K102-F112 HydrophobicContact CB-CZ 4.48Å
103T89.3Confident92.1Very high4 Ų480.9 Ų80.93%0.02542%0.416CS..Hα-helixtrans-63.1-39.6176-56.70000112.2R11 L18 V68 F94 N99 M100R11-T103 PolarHBondContact NH1-O 2.79Å; L18-T103 HydrophobicContact CD1-CG2 3.51Å; L18-T103 HydrophobicContact CD2-CG2 4.47Å; V68-T103 HydrophobicContact CG2-CG2 3.6Å; F94-T103 HydrophobicContact CE1-CG2 4.15Å; F94-T103 HydrophobicContact CZ-CG2 4.44Å; N99-T103 PolarHBondContact O-N 2.86Å; N99-T103 VanDerWaalsContact O-N 3.08Å; N99-T103 PolarHBondContact O-OG1 2.79Å; M100-T103 WeakPolarHBondContact O-CB 3.12Å; M100-T103 PolarHBondContact O-N 2.91Å
104N88.3Confident92Very high64 Ų6484.2 Ų84.234%0.34243%0.431SS..Hα-helixtrans-76.4-24.6179.2-75.1-29.3000113.7R11 R13 M100 M101 K102R11-N104 PolarHBondContact NH1-O 3.34Å; R13-N104 PolarHBondContact NH1-O 3.45Å; R13-N104 PolarHBondContact NH2-O 2.93Å; M100-N104 WeakPolarHBondContact O-CB 3.07Å; M100-N104 PolarHBondContact O-N 2.78Å; M100-N104 PolarHBondContact O-ND2 3.46Å; M101-N104 PolarHBondContact O-N 2.86Å; K102-N104 VanDerWaalsContact C-N 3.33Å; K102-N104 PolarHBondContact O-N 2.8Å
105T90.2Very high92Very high102 Ų10284.2 Ų84.263%0.62643%0.432SS*.Hα-helixtrans-96.6-9.817856.90000113.7M101 K102 V107M101-T105 WeakPolarHBondContact O-CG2 3.46Å; M101-T105 PolarHBondContact O-N 3.34Å; M101-T105 PolarHBondContact O-OG1 3.18Å; K102-T105 PolarHBondContact O-N 3.24Å; K102-T105 PolarHBondContact O-OG1 3.38Å; T105-V107 WeakPolarHBondContact O-CG2 3.43Å; T105-V107 PolarHBondContact O-N 3.19Å
106A90.1Very high92.1Very high10 Ų1081.7 Ų81.78%0.08342%0.419CS..  trans-55.2132.5177.900000112.2R11 L16 K102 C111 F112R11-A106 PolarHBondContact NH1-O 3.04Å; R11-A106 PolarHBondContact NH2-O 2.81Å; L16-A106 HydrophobicContact CD2-CB 4.42Å; L16-A106 WeakPolarHBondContact CD2-O 3.39Å; K102-A106 PolarHBondContact O-N 2.95Å; A106-C111 HydrophobicContact CB-CB 4.19Å; A106-F112 HydrophobicContact CB-CE2 4.14Å
107V92.4Very high92.1Very high127 Ų12780.7 Ų80.777%0.7741%0.409SS*.  trans-113.9-32177.5-175.40000111.1T105T105-V107 WeakPolarHBondContact O-CG2 3.43Å; T105-V107 PolarHBondContact O-N 3.19Å
108R93.4Very high92.2Very high192 Ų19279.4 Ų79.473%0.72540%0.397SS*.SBendtrans-80.2133.6-176.8-177.2-175177.6-173.10.5110.7C111R108-C111 PolarHBondContact O-N 3.02Å; R108-C111 PolarHBondContact O-SG 3.08Å
109P93.3Very high92.3Very high67 Ų6777.5 Ų77.544%0.43539%0.39SS..THydrogen-bonded Turntrans-57139169.3-26.435.8000111.8L16 P17 C111L16-P109 HydrophobicContact CD1-CB 4.48Å; L16-P109 HydrophobicContact CD1-CG 4.06Å; P17-P109 HydrophobicContact CG-CB 4.04Å; P109-C111 VanDerWaalsContact C-N 3.3Å; P109-C111 PolarHBondContact O-N 3.32Å
110Y94.5Very high92.6Very high101 Ų10175.5 Ų75.540%0.39638%0.378SS..THydrogen-bonded Turntrans59.435.3179.5-50.7-80.7000114.1P17 L18 A20 F112 I113P17-Y110 HydrophobicContact CB-CD1 4.18Å; P17-Y110 HydrophobicContact CB-CE1 3.69Å; P17-Y110 HydrophobicContact CB-CE2 4.27Å; P17-Y110 HydrophobicContact CG-CD2 4.37Å; P17-Y110 HydrophobicContact CG-CE1 4.26Å; P17-Y110 HydrophobicContact CG-CE2 3.92Å; P17-Y110 PolarHBondContact O-N 2.71Å; L18-Y110 CarbonylContact O-C 3.59Å; L18-Y110 VanDerWaalsContact O-CA 3.29Å; L18-Y110 WeakPolarHBondContact O-CA 2.87Å; A20-Y110 HydrophobicContact CB-CD1 4.42Å; A20-Y110 HydrophobicContact CB-CE1 3.77Å; Y110-F112 PolarHBondContact O-N 3.42Å; Y110-I113 PolarHBondContact O-N 2.65Å
111C94.8Very high92.9Very high60 Ų6079.7 Ų79.741%0.40539%0.389SS..THydrogen-bonded Turntrans-52.3-25173.9-930000114.1A106 R108 P109A106-C111 HydrophobicContact CB-CB 4.19Å; R108-C111 PolarHBondContact O-N 3.02Å; R108-C111 PolarHBondContact O-SG 3.08Å; P109-C111 VanDerWaalsContact C-N 3.3Å; P109-C111 PolarHBondContact O-N 3.32Å
112F95.1Very high93.3Very high20 Ų2072.8 Ų72.89%0.08835%0.354CS..THydrogen-bonded Turntrans-115.839.4-175.9-53.2-83000111.1L18 S19 F94 Y98 K102 A106 Y110 E114 F115L18-F112 HydrophobicContact CB-CD2 3.88Å; L18-F112 HydrophobicContact CD2-CD2 4.05Å; L18-F112 HydrophobicContact CD2-CE2 3.95Å; L18-F112 HydrophobicContact CG-CD2 4.44Å; L18-F112 CarbonylContact O-C 3.57Å; L18-F112 WeakPolarHBondContact O-CA 3.44Å; L18-F112 WeakPolarHBondContact O-CB 3.45Å; L18-F112 PolarHBondContact O-N 3.5Å; S19-F112 VanDerWaalsContact CB-O 3.22Å; S19-F112 WeakPolarHBondContact CB-O 3.4Å; S19-F112 PolarHBondContact OG-O 3.43Å; F94-F112 HydrophobicContact CE2-CB 4.17Å; F94-F112 HydrophobicContact CE2-CG 4.32Å; F94-F112 HydrophobicContact CZ-CD2 4.25Å; F94-F112 HydrophobicContact CZ-CG 4.26Å; Y98-F112 AromaticContact CD1-CD1 3.39Å; Y98-F112 HydrophobicContact CD1-CD1 3.39Å; Y98-F112 AromaticContact CD1-CE1 3.75Å; Y98-F112 HydrophobicContact CD1-CE1 3.75Å; Y98-F112 HydrophobicContact CD1-CG 4.48Å; Y98-F112 HydrophobicContact CD2-CD1 4.25Å; Y98-F112 HydrophobicContact CE1-CB 4.47Å; Y98-F112 AromaticContact CE1-CD1 3.59Å; Y98-F112 HydrophobicContact CE1-CD1 3.59Å; Y98-F112 HydrophobicContact CE1-CE1 4.35Å; Y98-F112 HydrophobicContact CE1-CG 4.49Å; Y98-F112 HydrophobicContact CE2-CB 4.31Å; Y98-F112 HydrophobicContact CE2-CD1 4.39Å; Y98-F112 AromaticContact CG-CD1 3.74Å; Y98-F112 HydrophobicContact CG-CD1 3.74Å; Y98-F112 HydrophobicContact CG-CE1 4.05Å; K102-F112 HydrophobicContact CB-CZ 4.48Å; A106-F112 HydrophobicContact CB-CE2 4.14Å; Y110-F112 PolarHBondContact O-N 3.42Å; F112-E114 PolarHBondContact O-N 2.89Å; F112-E114 VanDerWaalsContact O-N 3.17Å; F112-F115 VanDerWaalsContact O-CB 3.28Å; F112-F115 WeakPolarHBondContact O-CB 3.28Å; F112-F115 PolarHBondContact O-N 3.11Å; F112-F115 VanDerWaalsContact O-N 3.09Å
113I94.4Very high93.6Very high102 Ų10266.8 Ų66.852%0.52333%0.329SS..G310 helixtrans-57.2-29.5-177.4-167.4165.1000113.3Y110 F115 D116Y110-I113 PolarHBondContact O-N 2.65Å; I113-F115 PolarHBondContact O-N 2.57Å; I113-F115 VanDerWaalsContact O-N 3.13Å; I113-D116 WeakPolarHBondContact O-CB 3.3Å; I113-D116 PolarHBondContact O-N 3.1Å
114E94.9Very high93.7Very high145 Ų14572.3 Ų72.368%0.67835%0.354SS*.G310 helixtrans-60.1-25.7178.2-65178.6171.600113.3F112 D116 N117F112-E114 PolarHBondContact O-N 2.89Å; F112-E114 VanDerWaalsContact O-N 3.17Å; E114-D116 PolarHBondContact O-N 2.83Å; E114-N117 PolarHBondContact O-N 2.9Å; E114-N117 PolarHBondContact O-ND2 2.78Å
115F96.6Very high93.8Very high5 Ų572.4 Ų72.42%0.02235%0.35CS..G310 helixtrans-64.2-18.1175.7-166.1-112.7000113.1V9 L90 E93 F94 Y98 F112 I113 N117 F118 I119V9-F115 HydrophobicContact CG2-CD1 3.94Å; V9-F115 HydrophobicContact CG2-CE1 3.83Å; L90-F115 HydrophobicContact CD2-CE1 4.39Å; L90-F115 HydrophobicContact CD2-CZ 4.46Å; E93-F115 HydrophobicContact CB-CE2 4.1Å; E93-F115 HydrophobicContact CB-CZ 4.27Å; E93-F115 HydrophobicContact CG-CE2 3.76Å; E93-F115 HydrophobicContact CG-CZ 4.4Å; F94-F115 HydrophobicContact CB-CE1 4.25Å; F94-F115 HydrophobicContact CB-CE2 4.1Å; F94-F115 HydrophobicContact CB-CZ 3.77Å; F94-F115 AromaticContact CD2-CD1 3.86Å; F94-F115 HydrophobicContact CD2-CD1 3.86Å; F94-F115 HydrophobicContact CD2-CD2 4.17Å; F94-F115 AromaticContact CD2-CE1 3.92Å; F94-F115 HydrophobicContact CD2-CE1 3.92Å; F94-F115 HydrophobicContact CD2-CE2 4.2Å; F94-F115 AromaticContact CD2-CG 4Å; F94-F115 HydrophobicContact CD2-CG 4Å; F94-F115 HydrophobicContact CD2-CZ 4.09Å; F94-F115 HydrophobicContact CG-CZ 4.46Å; Y98-F115 HydrophobicContact CE2-CB 3.81Å; Y98-F115 AromaticContact CE2-CD2 3.63Å; Y98-F115 HydrophobicContact CE2-CD2 3.63Å; Y98-F115 HydrophobicContact CE2-CE2 4.49Å; Y98-F115 AromaticContact CE2-CG 3.93Å; Y98-F115 HydrophobicContact CE2-CG 3.93Å; Y98-F115 PolarHBondContact OH-N 2.84Å; F112-F115 VanDerWaalsContact O-CB 3.28Å; F112-F115 WeakPolarHBondContact O-CB 3.28Å; F112-F115 PolarHBondContact O-N 3.11Å; F112-F115 VanDerWaalsContact O-N 3.09Å; I113-F115 PolarHBondContact O-N 2.57Å; I113-F115 VanDerWaalsContact O-N 3.13Å; F115-N117 PolarHBondContact O-N 2.78Å; F115-F118 HydrophobicContact CD2-CB 4.09Å; F115-F118 HydrophobicContact CE1-CD1 4.38Å; F115-F118 HydrophobicContact CE2-CB 4.01Å; F115-F118 AromaticContact CE2-CD1 3.75Å; F115-F118 HydrophobicContact CE2-CD1 3.75Å; F115-F118 HydrophobicContact CE2-CG 4.06Å; F115-F118 HydrophobicContact CZ-CB 4.49Å; F115-F118 AromaticContact CZ-CD1 3.6Å; F115-F118 HydrophobicContact CZ-CD1 3.6Å; F115-F118 HydrophobicContact CZ-CE1 4.25Å; F115-F118 HydrophobicContact CZ-CG 4.35Å; F115-F118 WeakPolarHBondContact O-CB 3.42Å; F115-F118 PolarHBondContact O-N 2.96Å; F115-I119 HydrophobicContact CD1-CD1 3.73Å; F115-I119 HydrophobicContact CD1-CG1 3.68Å; F115-I119 HydrophobicContact CE1-CD1 4.12Å; F115-I119 HydrophobicContact CE1-CG1 3.73Å; F115-I119 PolarHBondContact O-N 3.03Å
116D95.3Very high93.9Very high13 Ų1367.8 Ų67.87%0.0732%0.321CS..Hα-helixtrans-52.7-38173.1-174.511.8000111.4S21 T22 I113 E114 F118 I119 Q120S21-D116 VanDerWaalsContact CA-OD1 3.27Å; S21-D116 WeakPolarHBondContact CA-OD1 3.44Å; T22-D116 WeakPolarHBondContact CB-OD2 3.41Å; T22-D116 WeakPolarHBondContact CG2-OD2 3.44Å; T22-D116 PolarHBondContact N-OD2 2.85Å; T22-D116 PolarHBondContact OG1-OD2 2.97Å; I113-D116 WeakPolarHBondContact O-CB 3.3Å; I113-D116 PolarHBondContact O-N 3.1Å; E114-D116 PolarHBondContact O-N 2.83Å; D116-F118 VanDerWaalsContact C-N 3.29Å; D116-F118 PolarHBondContact O-N 2.68Å; D116-I119 PolarHBondContact O-N 3.27Å; D116-I119 VanDerWaalsContact O-N 3.12Å; D116-Q120 VanDerWaalsContact CG-NE2 3.26Å; D116-Q120 WeakPolarHBondContact O-CG 3.37Å; D116-Q120 PolarHBondContact O-N 3.29Å; D116-Q120 VanDerWaalsContact OD1-CG 3.31Å; D116-Q120 WeakPolarHBondContact OD1-CG 3.37Å; D116-Q120 PolarHBondContact OD1-NE2 3.41Å; D116-Q120 PolarHBondContact OD2-NE2 2.84Å; D116-Q120 VanDerWaalsContact OD2-NE2 3.1Å
117N95.2Very high93.9Very high96 Ų9669.3 Ų69.351%0.51333%0.328SS..Hα-helixtrans-57.3-41.7176.3-69.1-66.4000112.7E114 F115 R121E114-N117 PolarHBondContact O-N 2.9Å; E114-N117 PolarHBondContact O-ND2 2.78Å; F115-N117 PolarHBondContact O-N 2.78Å; N117-R121 VanDerWaalsContact O-CG 3.25Å; N117-R121 WeakPolarHBondContact O-CG 3.29Å; N117-R121 PolarHBondContact O-N 3Å
118F96.1Very high93.7Very high41 Ų4167.7 Ų67.718%0.1832%0.315CS..Hα-helixtrans-70.1-45.7176.3-176.9-96.7000110.7E89 L90 E93 F115 D116 Q120 R121 T122E89-F118 HydrophobicContact CG-CZ 4.1Å; L90-F118 HydrophobicContact CD2-CD1 3.8Å; L90-F118 HydrophobicContact CD2-CE1 3.77Å; E93-F118 HydrophobicContact CB-CD1 3.97Å; E93-F118 HydrophobicContact CB-CD2 4.47Å; E93-F118 HydrophobicContact CB-CE1 3.41Å; E93-F118 VanDerWaalsContact CB-CE1 3.41Å; E93-F118 HydrophobicContact CB-CE2 3.98Å; E93-F118 HydrophobicContact CB-CG 4.46Å; E93-F118 HydrophobicContact CB-CZ 3.42Å; E93-F118 VanDerWaalsContact CB-CZ 3.42Å; E93-F118 HydrophobicContact CG-CD1 3.83Å; E93-F118 HydrophobicContact CG-CD2 3.69Å; E93-F118 HydrophobicContact CG-CE1 3.68Å; E93-F118 HydrophobicContact CG-CE2 3.53Å; E93-F118 HydrophobicContact CG-CG 3.83Å; E93-F118 HydrophobicContact CG-CZ 3.53Å; F115-F118 HydrophobicContact CD2-CB 4.09Å; F115-F118 HydrophobicContact CE1-CD1 4.38Å; F115-F118 HydrophobicContact CE2-CB 4.01Å; F115-F118 AromaticContact CE2-CD1 3.75Å; F115-F118 HydrophobicContact CE2-CD1 3.75Å; F115-F118 HydrophobicContact CE2-CG 4.06Å; F115-F118 HydrophobicContact CZ-CB 4.49Å; F115-F118 AromaticContact CZ-CD1 3.6Å; F115-F118 HydrophobicContact CZ-CD1 3.6Å; F115-F118 HydrophobicContact CZ-CE1 4.25Å; F115-F118 HydrophobicContact CZ-CG 4.35Å; F115-F118 WeakPolarHBondContact O-CB 3.42Å; F115-F118 PolarHBondContact O-N 2.96Å; D116-F118 VanDerWaalsContact C-N 3.29Å; D116-F118 PolarHBondContact O-N 2.68Å; F118-Q120 VanDerWaalsContact C-N 3.31Å; F118-Q120 PolarHBondContact O-N 3.37Å; F118-R121 PolarHBondContact O-N 2.81Å; F118-T122 WeakPolarHBondContact CE1-OG1 3.32Å; F118-T122 WeakPolarHBondContact CZ-OG1 3.44Å; F118-T122 WeakPolarHBondContact O-CB 3.23Å; F118-T122 PolarHBondContact O-N 3.39Å; F118-T122 PolarHBondContact O-OG1 3Å; F118-T122 VanDerWaalsContact O-OG1 3.05Å
119I96.1Very high92.7Very high0 Ų063.5 Ų63.50%031%0.312CS..Hα-helixtrans-53.7-49177.2-64.6172.7000110.5A7 V9 L90 F115 D116 T122 K123A7-I119 HydrophobicContact CB-CG2 3.8Å; V9-I119 HydrophobicContact CG2-CD1 4.38Å; L90-I119 HydrophobicContact CD2-CG1 4.11Å; F115-I119 HydrophobicContact CD1-CD1 3.73Å; F115-I119 HydrophobicContact CD1-CG1 3.68Å; F115-I119 HydrophobicContact CE1-CD1 4.12Å; F115-I119 HydrophobicContact CE1-CG1 3.73Å; F115-I119 PolarHBondContact O-N 3.03Å; D116-I119 PolarHBondContact O-N 3.27Å; D116-I119 VanDerWaalsContact O-N 3.12Å; I119-T122 PolarHBondContact O-N 3.46Å; I119-K123 WeakPolarHBondContact O-CB 3.31Å; I119-K123 PolarHBondContact O-N 3.35Å
120Q94.3Very high91.7Very high56 Ų5671.9 Ų71.926%0.26234%0.335SS..Hα-helixtrans-64.4-46.8-178.5-70.3179.216.200112.5T22 D116 F118 T122 K123 Q124T22-Q120 PolarHBondContact OG1-NE2 2.82Å; T22-Q120 VanDerWaalsContact OG1-NE2 3.11Å; D116-Q120 VanDerWaalsContact CG-NE2 3.26Å; D116-Q120 WeakPolarHBondContact O-CG 3.37Å; D116-Q120 PolarHBondContact O-N 3.29Å; D116-Q120 VanDerWaalsContact OD1-CG 3.31Å; D116-Q120 WeakPolarHBondContact OD1-CG 3.37Å; D116-Q120 PolarHBondContact OD1-NE2 3.41Å; D116-Q120 PolarHBondContact OD2-NE2 2.84Å; D116-Q120 VanDerWaalsContact OD2-NE2 3.1Å; F118-Q120 VanDerWaalsContact C-N 3.31Å; F118-Q120 PolarHBondContact O-N 3.37Å; Q120-T122 VanDerWaalsContact C-N 3.33Å; Q120-T122 PolarHBondContact O-N 2.8Å; Q120-K123 PolarHBondContact O-N 3.1Å; Q120-Q124 WeakPolarHBondContact O-CB 3.15Å; Q120-Q124 VanDerWaalsContact O-CG 3.31Å; Q120-Q124 WeakPolarHBondContact O-CG 3.41Å; Q120-Q124 PolarHBondContact O-N 2.87Å
121R93.4Very high90.6Very high177 Ų17769.3 Ų69.367%0.66833%0.332SS*.Hα-helixtrans-60.5-43.6177.7-73174.4-175.9-177.32.6111.6N117 F118 R125N117-R121 VanDerWaalsContact O-CG 3.25Å; N117-R121 WeakPolarHBondContact O-CG 3.29Å; N117-R121 PolarHBondContact O-N 3Å; F118-R121 PolarHBondContact O-N 2.81Å; R121-R125 PolarHBondContact O-N 2.9Å
122T93.9Very high89.3Confident0 Ų067.1 Ų67.10%032%0.316CS..Hα-helixtrans-69.3-44.3178.7-57.80000110.3F86 E89 L90 F118 I119 Q120 Q124 R125 Y126F86-T122 HydrophobicContact CD2-CG2 3.77Å; F86-T122 HydrophobicContact CE2-CG2 3.81Å; E89-T122 HydrophobicContact CG-CG2 4.22Å; L90-T122 HydrophobicContact CD2-CG2 4.48Å; F118-T122 WeakPolarHBondContact CE1-OG1 3.32Å; F118-T122 WeakPolarHBondContact CZ-OG1 3.44Å; F118-T122 WeakPolarHBondContact O-CB 3.23Å; F118-T122 PolarHBondContact O-N 3.39Å; F118-T122 PolarHBondContact O-OG1 3Å; F118-T122 VanDerWaalsContact O-OG1 3.05Å; I119-T122 PolarHBondContact O-N 3.46Å; Q120-T122 VanDerWaalsContact C-N 3.33Å; Q120-T122 PolarHBondContact O-N 2.8Å; T122-Q124 PolarHBondContact O-N 2.76Å; T122-R125 WeakPolarHBondContact O-CB 3.48Å; T122-R125 PolarHBondContact O-N 3.4Å; T122-R125 VanDerWaalsContact O-N 3.1Å; T122-Y126 HydrophobicContact CG2-CD2 3.78Å; T122-Y126 HydrophobicContact CG2-CE2 3.69Å; T122-Y126 VanDerWaalsContact O-CD2 3.29Å; T122-Y126 WeakPolarHBondContact O-CD2 3.43Å; T122-Y126 PolarHBondContact O-N 2.99Å
123K93.1Very high87.5Confident21 Ų2171.6 Ų71.69%0.09135%0.35CS..Hα-helixtrans-57-46.7175.8-172.3-177.270.4165.10112.1I4 L5 D23 F86 I119 Q120 R125 Y126 N127I4-K123 HydrophobicContact CB-CD 4.38Å; I4-K123 HydrophobicContact CB-CG 3.87Å; I4-K123 HydrophobicContact CG2-CD 4.01Å; I4-K123 HydrophobicContact CG2-CG 3.8Å; L5-K123 PolarHBondContact O-NZ 2.99Å; D23-K123 IonicContact OD1-NZ 2.66Å; D23-K123 PolarHBondContact OD1-NZ 2.64Å; D23-K123 IonicContact OD2-NZ 2.73Å; D23-K123 PolarHBondContact OD2-NZ 2.71Å; F86-K123 HydrophobicContact CE2-CB 4.2Å; I119-K123 WeakPolarHBondContact O-CB 3.31Å; I119-K123 PolarHBondContact O-N 3.35Å; Q120-K123 PolarHBondContact O-N 3.1Å; K123-R125 VanDerWaalsContact C-N 3.29Å; K123-R125 PolarHBondContact O-N 2.68Å; K123-Y126 PolarHBondContact O-N 3.45Å; K123-N127 WeakPolarHBondContact O-CB 3.28Å; K123-N127 PolarHBondContact O-N 2.77Å
124Q91.4Very high85.6Confident119 Ų11972.6 Ų72.656%0.55636%0.361SS*.Hα-helixtrans-58.7-41.4176.7-75.2176.46.100111.8Q120 T122 N127 N128Q120-Q124 WeakPolarHBondContact O-CB 3.15Å; Q120-Q124 VanDerWaalsContact O-CG 3.31Å; Q120-Q124 WeakPolarHBondContact O-CG 3.41Å; Q120-Q124 PolarHBondContact O-N 2.87Å; T122-Q124 PolarHBondContact O-N 2.76Å; Q124-N127 PolarHBondContact O-N 3.24Å; Q124-N128 WeakPolarHBondContact O-CB 3.26Å; Q124-N128 PolarHBondContact O-N 2.67Å; Q124-N128 PolarHBondContact O-ND2 3.04Å
125R91.7Very high83.9Confident67 Ų6773.7 Ų73.725%0.25336%0.363SS..Hα-helixtrans-62.4-48.1175.9-160.4-170.1-41.9154.715.9111.6E89 R121 T122 K123 N127 N128 S131 L132E89-R125 IonicContact OE1-CZ 3.41Å; E89-R125 VanDerWaalsContact OE1-CZ 3.27Å; E89-R125 IonicContact OE1-NH1 3.62Å; E89-R125 PolarHBondContact OE1-NH1 3.23Å; E89-R125 IonicContact OE1-NH2 2.65Å; E89-R125 PolarHBondContact OE1-NH2 2.64Å; E89-R125 VanDerWaalsContact OE1-NH2 3.12Å; E89-R125 IonicContact OE2-NH1 2.64Å; R121-R125 PolarHBondContact O-N 2.9Å; T122-R125 WeakPolarHBondContact O-CB 3.48Å; T122-R125 PolarHBondContact O-N 3.4Å; T122-R125 VanDerWaalsContact O-N 3.1Å; K123-R125 VanDerWaalsContact C-N 3.29Å; K123-R125 PolarHBondContact O-N 2.68Å; R125-N127 VanDerWaalsContact C-N 3.27Å; R125-N127 PolarHBondContact O-N 3.24Å; R125-N128 PolarHBondContact O-N 3.31Å; R125-N128 VanDerWaalsContact O-N 3.08Å; R125-S131 WeakPolarHBondContact CA-OG 3.45Å; R125-S131 WeakPolarHBondContact CG-OG 3.49Å; R125-S131 PolarHBondContact O-OG 3.23Å; R125-L132 WeakPolarHBondContact O-CD1 3.35Å
126Y91.8Very high82.4Confident5 Ų575.1 Ų75.12%0.0237%0.371CS..Hα-helixtrans-70.9-19.9-178.3-85-100.4000114.3I4 Y78 S85 F86 E89 T122 K123 L132 I136I4-Y126 HydrophobicContact CD1-CG 4.44Å; Y78-Y126 PolarHBondContact OH-O 3.04Å; S85-Y126 PolarHBondContact O-OH 3.2Å; S85-Y126 PolarHBondContact OG-OH 3.33Å; F86-Y126 HydrophobicContact CB-CD1 3.71Å; F86-Y126 HydrophobicContact CB-CD2 4.43Å; F86-Y126 HydrophobicContact CB-CE1 3.77Å; F86-Y126 HydrophobicContact CB-CE2 4.46Å; F86-Y126 HydrophobicContact CB-CG 4.05Å; F86-Y126 HydrophobicContact CD2-CD1 4.44Å; F86-Y126 AromaticContact CD2-CD2 3.85Å; F86-Y126 HydrophobicContact CD2-CD2 3.85Å; F86-Y126 HydrophobicContact CD2-CE2 4.3Å; F86-Y126 AromaticContact CD2-CG 3.9Å; F86-Y126 HydrophobicContact CD2-CG 3.9Å; F86-Y126 HydrophobicContact CG-CG 4.45Å; E89-Y126 WeakPolarHBondContact OE2-CE2 3.27Å; E89-Y126 PolarHBondContact OE2-OH 2.95Å; T122-Y126 HydrophobicContact CG2-CD2 3.78Å; T122-Y126 HydrophobicContact CG2-CE2 3.69Å; T122-Y126 VanDerWaalsContact O-CD2 3.29Å; T122-Y126 WeakPolarHBondContact O-CD2 3.43Å; T122-Y126 PolarHBondContact O-N 2.99Å; K123-Y126 PolarHBondContact O-N 3.45Å; Y126-L132 HydrophobicContact CD1-CD2 3.5Å; Y126-L132 HydrophobicContact CD2-CD2 4.33Å; Y126-L132 HydrophobicContact CE1-CD2 3.81Å; Y126-L132 HydrophobicContact CG-CD2 3.81Å; Y126-I136 HydrophobicContact CE1-CD1 3.86Å; Y126-I136 HydrophobicContact CE2-CD1 4.18Å
127N91.3Very high81.2Confident42 Ų4278.8 Ų78.823%0.22539%0.391CS..Hα-helixtrans-85.5-9.9171.8-75.4-11.2000113.5I4 K123 Q124 R125 P129I4-N127 WeakPolarHBondContact CB-OD1 3.29Å; I4-N127 PolarHBondContact N-OD1 3.45Å; I4-N127 PolarHBondContact O-ND2 3.49Å; K123-N127 WeakPolarHBondContact O-CB 3.28Å; K123-N127 PolarHBondContact O-N 2.77Å; Q124-N127 PolarHBondContact O-N 3.24Å; R125-N127 VanDerWaalsContact C-N 3.27Å; R125-N127 PolarHBondContact O-N 3.24Å; N127-P129 WeakPolarHBondContact O-CD 3.38Å
128N87.6Confident80.4Confident93 Ų9377.6 Ų77.650%0.49738%0.384SS..  trans-115.792.8-177.9-77.1-59.4000110.9Q124 R125 R130 S131 L132Q124-N128 WeakPolarHBondContact O-CB 3.26Å; Q124-N128 PolarHBondContact O-N 2.67Å; Q124-N128 PolarHBondContact O-ND2 3.04Å; R125-N128 PolarHBondContact O-N 3.31Å; R125-N128 VanDerWaalsContact O-N 3.08Å; N128-R130 PolarHBondContact O-N 3.03Å; N128-S131 PolarHBondContact O-N 3.31Å; N128-S131 PolarHBondContact O-OG 3.48Å; N128-L132 WeakPolarHBondContact O-CD1 3.23Å
129P71.1Confident79.6Confident104 Ų10479 Ų7968%0.67540%0.398SS*.Hα-helixtrans-49.5-37.1-174.6-29.834.9000114.9N127 S131 L132N127-P129 WeakPolarHBondContact O-CD 3.38Å; P129-S131 PolarHBondContact O-N 3.22Å; P129-L132 PolarHBondContact O-N 2.94Å
130R74.1Confident78.9Confident242 Ų24283.5 Ų83.591%0.91342%0.423SS*.Hα-helixtrans-63.3-26.6179.1-63.3-177.2-168.9150.62.5113.4N128N128-R130 PolarHBondContact O-N 3.03Å
131S70.3Confident78.5Confident47 Ų4781.4 Ų81.433%0.32941%0.413SS..Hα-helixtrans-90.1-14.5-178.573.80000114.2R125 N128 P129R125-S131 WeakPolarHBondContact CA-OG 3.45Å; R125-S131 WeakPolarHBondContact CG-OG 3.49Å; R125-S131 PolarHBondContact O-OG 3.23Å; N128-S131 PolarHBondContact O-N 3.31Å; N128-S131 PolarHBondContact O-OG 3.48Å; P129-S131 PolarHBondContact O-N 3.22Å
132L67.7Low78Confident15 Ų1577.3 Ų77.38%0.07940%0.401CS..Hα-helixtrans-83.2-30.3179.2-72.3115.7000113.3L82 R125 Y126 N128 P129 T134 K135 I136L82-L132 HydrophobicContact CD2-CD2 4Å; R125-L132 WeakPolarHBondContact O-CD1 3.35Å; Y126-L132 HydrophobicContact CD1-CD2 3.5Å; Y126-L132 HydrophobicContact CD2-CD2 4.33Å; Y126-L132 HydrophobicContact CE1-CD2 3.81Å; Y126-L132 HydrophobicContact CG-CD2 3.81Å; N128-L132 WeakPolarHBondContact O-CD1 3.23Å; P129-L132 PolarHBondContact O-N 2.94Å; L132-T134 PolarHBondContact O-N 2.91Å; L132-K135 PolarHBondContact O-N 2.83Å; L132-I136 HydrophobicContact CB-CD1 4.01Å; L132-I136 HydrophobicContact CD2-CD1 3.2Å; L132-I136 HydrophobicContact CG-CD1 3.95Å
133S57.4Low77.5Confident113 Ų11380.9 Ų80.979%0.7942%0.423SS*.THydrogen-bonded Turntrans-56.2-22.6-169.2-166.40000114.7
134T54.3Low77Confident123 Ų12383.5 Ų83.576%0.75544%0.436SS*.THydrogen-bonded Turntrans-95.9-7.2-172.5-3.50000115L132L132-T134 PolarHBondContact O-N 2.91Å
135K58.9Low76.6Confident169 Ų16978.9 Ų78.974%0.73542%0.415SS*.THydrogen-bonded Turntrans-139.6-6.8-166.4-70.6-166.9177.6-172.10118.1L132L132-K135 PolarHBondContact O-N 2.83Å
136I66.4Low76.1Confident34 Ų3482.8 Ų82.817%0.17443%0.434CS..  trans-116.1121.2-170-58.7168.3000111.1S85 Y126 L132 L138S85-I136 WeakPolarHBondContact OG-CG2 3.42Å; Y126-I136 HydrophobicContact CE1-CD1 3.86Å; Y126-I136 HydrophobicContact CE2-CD1 4.18Å; L132-I136 HydrophobicContact CB-CD1 4.01Å; L132-I136 HydrophobicContact CD2-CD1 3.2Å; L132-I136 HydrophobicContact CG-CD1 3.95Å; I136-L138 VanDerWaalsContact C-N 3.3Å; I136-L138 HydrophobicContact CB-CD2 4.38Å; I136-L138 HydrophobicContact CB-CG 4.32Å; I136-L138 HydrophobicContact CG2-CD2 3.52Å; I136-L138 HydrophobicContact CG2-CG 3.81Å; I136-L138 PolarHBondContact O-N 2.99Å
137N68.4Low75.6Confident91 Ų9189.8 Ų89.849%0.48747%0.47SS..  trans-77.482.9170-168.4-32.4000109.2S139 D140N137-S139 VanDerWaalsContact C-N 3.28Å; N137-S139 PolarHBondContact O-N 3.38Å; N137-S139 PolarHBondContact OD1-OG 3.45Å; N137-D140 PolarHBondContact ND2-OD2 3.08Å; N137-D140 VanDerWaalsContact OD1-CG 3.27Å; N137-D140 PolarHBondContact OD1-N 3.01Å; N137-D140 PolarHBondContact OD1-OD2 3.39Å
138L79Confident75.3Confident70 Ų7094 Ų9437%0.36648%0.483SS..Hα-helixtrans-71.3-24.3-178.2-67.4169.7000112.6V81 L82 I136 Q142V81-L138 HydrophobicContact CG1-CD2 4.05Å; L82-L138 HydrophobicContact CD2-CD2 3.58Å; I136-L138 VanDerWaalsContact C-N 3.3Å; I136-L138 HydrophobicContact CB-CD2 4.38Å; I136-L138 HydrophobicContact CB-CG 4.32Å; I136-L138 HydrophobicContact CG2-CD2 3.52Å; I136-L138 HydrophobicContact CG2-CG 3.81Å; I136-L138 PolarHBondContact O-N 2.99Å; L138-Q142 VanDerWaalsContact O-CB 3.25Å; L138-Q142 WeakPolarHBondContact O-CB 3.48Å; L138-Q142 PolarHBondContact O-N 2.81Å
139S79.3Confident75.2Confident70 Ų7093.9 Ų93.949%0.4949%0.487SS..Hα-helixtrans-61.9-48.9179.9250000111.8N137 M141 Q142 T143N137-S139 VanDerWaalsContact C-N 3.28Å; N137-S139 PolarHBondContact O-N 3.38Å; N137-S139 PolarHBondContact OD1-OG 3.45Å; S139-M141 PolarHBondContact O-N 2.94Å; S139-Q142 PolarHBondContact O-N 2.83Å; S139-T143 WeakPolarHBondContact O-CG2 3.33Å; S139-T143 PolarHBondContact O-N 2.73Å
140D82.4Confident76.1Confident96 Ų9689.8 Ų89.851%0.51346%0.461SS..Hα-helixtrans-62.8-47.5-178.9-62.2-17.2000110.1N137 Q142 T143 E144N137-D140 PolarHBondContact ND2-OD2 3.08Å; N137-D140 VanDerWaalsContact OD1-CG 3.27Å; N137-D140 PolarHBondContact OD1-N 3.01Å; N137-D140 PolarHBondContact OD1-OD2 3.39Å; D140-Q142 VanDerWaalsContact C-N 3.31Å; D140-Q142 PolarHBondContact O-N 3.16Å; D140-T143 PolarHBondContact O-N 3.39Å; D140-T143 VanDerWaalsContact O-N 3.12Å; D140-T143 PolarHBondContact O-OG1 3.01Å; D140-E144 PolarHBondContact O-N 3.2Å
141M85.5Confident76.9Confident11 Ų1182.9 Ų82.95%0.05444%0.436CS..Hα-helixtrans-59.9-39.8176-103-66.6101.300113.1V81 F84 S139 E144 I145V81-M141 HydrophobicContact CG1-CB 4.01Å; F84-M141 HydrophobicContact CB-SD 4.04Å; S139-M141 PolarHBondContact O-N 2.94Å; M141-E144 HydrophobicContact CE-CB 3.91Å; M141-E144 HydrophobicContact CE-CG 4.26Å; M141-E144 WeakPolarHBondContact CE-OE2 3.4Å; M141-E144 PolarHBondContact O-N 3.24Å; M141-I145 WeakPolarHBondContact O-CB 3.48Å; M141-I145 VanDerWaalsContact O-CG1 3.31Å; M141-I145 WeakPolarHBondContact O-CG1 3.34Å; M141-I145 PolarHBondContact O-N 2.85Å; M141-I145 HydrophobicContact SD-CD1 4.36Å
142Q83.4Confident77.8Confident91 Ų9186.6 Ų86.643%0.42545%0.448SS..Hα-helixtrans-65.8-39.9176.4-175.1177.2-3.100111.8V81 L138 S139 D140 K146V81-Q142 HydrophobicContact CG1-CB 4.36Å; V81-Q142 HydrophobicContact CG2-CB 4.3Å; V81-Q142 HydrophobicContact CG2-CG 4.4Å; L138-Q142 VanDerWaalsContact O-CB 3.25Å; L138-Q142 WeakPolarHBondContact O-CB 3.48Å; L138-Q142 PolarHBondContact O-N 2.81Å; S139-Q142 PolarHBondContact O-N 2.83Å; D140-Q142 VanDerWaalsContact C-N 3.31Å; D140-Q142 PolarHBondContact O-N 3.16Å; Q142-K146 VanDerWaalsContact O-CG 3.28Å; Q142-K146 WeakPolarHBondContact O-CG 3.45Å; Q142-K146 PolarHBondContact O-N 3.26Å
143T83.4Confident78.7Confident75 Ų7586.3 Ų86.346%0.4645%0.446SS..Hα-helixtrans-65.4-42.7174.6600000111.5S139 D140 I145 K146 L147S139-T143 WeakPolarHBondContact O-CG2 3.33Å; S139-T143 PolarHBondContact O-N 2.73Å; D140-T143 PolarHBondContact O-N 3.39Å; D140-T143 VanDerWaalsContact O-N 3.12Å; D140-T143 PolarHBondContact O-OG1 3.01Å; T143-I145 PolarHBondContact O-N 3.32Å; T143-K146 WeakPolarHBondContact O-CB 3.45Å; T143-K146 PolarHBondContact O-N 3.43Å; T143-L147 VanDerWaalsContact O-CG 3.32Å; T143-L147 WeakPolarHBondContact O-CG 3.19Å; T143-L147 PolarHBondContact O-N 3.09Å
144E82Confident79.8Confident77 Ų7783.4 Ų83.436%0.3643%0.426SS..Hα-helixtrans-65.7-41.7-178.6-165-175.615100112.2R50 D140 M141 K146 L147 R148R50-E144 IonicContact CZ-OE1 3.12Å; R50-E144 IonicContact NH1-OE1 2.63Å; R50-E144 PolarHBondContact NH1-OE1 2.76Å; R50-E144 IonicContact NH2-OE1 2.68Å; R50-E144 PolarHBondContact NH2-OE1 3.18Å; D140-E144 PolarHBondContact O-N 3.2Å; M141-E144 HydrophobicContact CE-CB 3.91Å; M141-E144 HydrophobicContact CE-CG 4.26Å; M141-E144 WeakPolarHBondContact CE-OE2 3.4Å; M141-E144 PolarHBondContact O-N 3.24Å; E144-K146 VanDerWaalsContact C-N 3.29Å; E144-K146 PolarHBondContact O-N 2.99Å; E144-L147 PolarHBondContact O-N 3.24Å; E144-R148 PolarHBondContact O-N 2.99Å
145I83.3Confident80.5Confident22 Ų2281 Ų8111%0.11341%0.407CS..Hα-helixtrans-66.1-33.8176.2-69.4166.6000111.4V81 F84 M141 T143 R148 P149V81-I145 HydrophobicContact CB-CD1 4.27Å; V81-I145 HydrophobicContact CG2-CD1 4.08Å; F84-I145 HydrophobicContact CB-CD1 4.09Å; F84-I145 HydrophobicContact CD2-CD1 3.92Å; F84-I145 HydrophobicContact CD2-CG1 4.34Å; F84-I145 HydrophobicContact CG-CD1 4.4Å; M141-I145 WeakPolarHBondContact O-CB 3.48Å; M141-I145 VanDerWaalsContact O-CG1 3.31Å; M141-I145 WeakPolarHBondContact O-CG1 3.34Å; M141-I145 PolarHBondContact O-N 2.85Å; M141-I145 HydrophobicContact SD-CD1 4.36Å; T143-I145 PolarHBondContact O-N 3.32Å; I145-R148 CarbonylContact O-C 3.57Å; I145-P149 VanDerWaalsContact O-CA 3.26Å; I145-P149 WeakPolarHBondContact O-CA 3.41Å; I145-P149 VanDerWaalsContact O-N 3.16Å
146K80.4Confident80.5Confident149 Ų14978 Ų7865%0.64841%0.406SS*.Hα-helixtrans-67.5-41.8174.5-76.7174.6179.3-179.60111.7Q142 T143 E144Q142-K146 VanDerWaalsContact O-CG 3.28Å; Q142-K146 WeakPolarHBondContact O-CG 3.45Å; Q142-K146 PolarHBondContact O-N 3.26Å; T143-K146 WeakPolarHBondContact O-CB 3.45Å; T143-K146 PolarHBondContact O-N 3.43Å; E144-K146 VanDerWaalsContact C-N 3.29Å; E144-K146 PolarHBondContact O-N 2.99Å
147L82Confident80.3Confident151 Ų15179.8 Ų79.879%0.79141%0.414SS*.Hα-helixtrans-73.9-38.9179.9-67.5172000112.1T143 E144T143-L147 VanDerWaalsContact O-CG 3.32Å; T143-L147 WeakPolarHBondContact O-CG 3.19Å; T143-L147 PolarHBondContact O-N 3.09Å; E144-L147 PolarHBondContact O-N 3.24Å
148R83.6Confident80Confident131 Ų13175.7 Ų75.749%0.49439%0.391SS..SBendtrans-132.783.3-179.1-171.3-179.8179.6151.7-0.8110.1D49 R50 E144 I145D49-R148 IonicContact OD1-CZ 3.12Å; D49-R148 IonicContact OD1-NE 2.83Å; D49-R148 IonicContact OD1-NH2 3.31Å; D49-R148 PolarHBondContact OD1-NH2 3.21Å; D49-R148 IonicContact OD2-CZ 3.27Å; D49-R148 VanDerWaalsContact OD2-CZ 3.31Å; D49-R148 IonicContact OD2-NH1 3.47Å; D49-R148 IonicContact OD2-NH2 2.68Å; D49-R148 PolarHBondContact OD2-NH2 3.47Å; R50-R148 PolarHBondContact NH1-O 2.77Å; E144-R148 PolarHBondContact O-N 2.99Å; I145-R148 CarbonylContact O-C 3.57Å
149P86.9Confident78.7Confident90 Ų9074.9 Ų74.958%0.58440%0.401SS*.PPolyproline II helixtrans-63.8150.7177.426.7-34.2000110.9I145I145-P149 VanDerWaalsContact O-CA 3.26Å; I145-P149 WeakPolarHBondContact O-CA 3.41Å; I145-P149 VanDerWaalsContact O-N 3.16Å
150P89.1Confident77Confident18 Ų1876 Ų7612%0.11741%0.409CS..PPolyproline II helixtrans-63.9139176.328.7-36.4000111R50 T52 F84 Q152R50-P150 HydrophobicContact CG-CB 3.88Å; T52-P150 WeakPolarHBondContact OG1-CB 3.42Å; F84-P150 HydrophobicContact CE1-CB 4.34Å; F84-P150 HydrophobicContact CE2-CB 3.86Å; F84-P150 HydrophobicContact CE2-CG 3.76Å; F84-P150 HydrophobicContact CZ-CB 3.46Å; F84-P150 VanDerWaalsContact CZ-CB 3.46Å; F84-P150 HydrophobicContact CZ-CG 3.9Å; P150-Q152 PolarHBondContact O-N 2.86Å
151Y90.2Very high74.9Confident98 Ų9875.4 Ų75.438%0.38442%0.416SS..EExtended strand (participates in β ladder)trans-62.7124.4172.7-176.8-101.3000110P48 R50 C51 T52 I153 E157P48-Y151 HydrophobicContact CG-CD1 4.18Å; P48-Y151 HydrophobicContact CG-CD2 4.28Å; P48-Y151 HydrophobicContact CG-CG 3.85Å; R50-Y151 PolarHBondContact O-N 3.09Å; C51-Y151 CarbonylContact C-O 3.58Å; C51-Y151 WeakPolarHBondContact CA-O 3.09Å; C51-Y151 WeakPolarHBondContact CB-O 3.28Å; T52-Y151 PolarHBondContact N-O 3.07Å; Y151-I153 HydrophobicContact CD1-CG1 3.98Å; Y151-I153 HydrophobicContact CE1-CG1 4.32Å; Y151-I153 PolarHBondContact O-N 3.29Å; Y151-E157 PolarHBondContact OH-OE1 3.31Å
152Q89.8Confident72.6Confident124 Ų12482.2 Ų82.258%0.57945%0.453SS*.EExtended strand (participates in β ladder)trans-84.7111.8177.9-69.9-16725.100109.8T52 P150 S154T52-Q152 WeakPolarHBondContact O-CA 3.36Å; P150-Q152 PolarHBondContact O-N 2.86Å; Q152-S154 PolarHBondContact O-N 3.2Å
153I87.3Confident70.3Confident10 Ų1081.6 Ų81.65%0.05147%0.472CS..  trans-77.2126.7178.9-60.1169.4000108.3L40 L47 C51 T52 L53 F62 Y151 E157L40-I153 HydrophobicContact CD2-CD1 3.66Å; L47-I153 HydrophobicContact CD1-CD1 3.85Å; L47-I153 HydrophobicContact CD2-CD1 4.24Å; L47-I153 HydrophobicContact CD2-CG1 4.25Å; C51-I153 HydrophobicContact CB-CD1 3.61Å; C51-I153 HydrophobicContact CB-CG1 3.96Å; T52-I153 PolarHBondContact O-N 3.06Å; L53-I153 HydrophobicContact CB-CB 4.25Å; L53-I153 HydrophobicContact CD1-CB 4.14Å; L53-I153 HydrophobicContact CD1-CG2 4.14Å; L53-I153 VanDerWaalsContact CD1-O 3.28Å; L53-I153 WeakPolarHBondContact CD1-O 3.37Å; F62-I153 HydrophobicContact CE1-CD1 3.42Å; F62-I153 VanDerWaalsContact CE1-CD1 3.42Å; F62-I153 HydrophobicContact CZ-CD1 3.8Å; Y151-I153 HydrophobicContact CD1-CG1 3.98Å; Y151-I153 HydrophobicContact CE1-CG1 4.32Å; Y151-I153 PolarHBondContact O-N 3.29Å; I153-E157 HydrophobicContact CG2-CB 4.46Å
154S80.1Confident67.8Low52 Ų5284.8 Ų84.836%0.36449%0.49SS..  trans-82.7149.9172.170.20000110.6Q152 C156 E157 L158Q152-S154 PolarHBondContact O-N 3.2Å; S154-C156 PolarHBondContact O-N 3.3Å; S154-E157 PolarHBondContact N-OE2 3.44Å; S154-E157 PolarHBondContact O-N 3.33Å; S154-E157 VanDerWaalsContact OG-CG 3.31Å; S154-E157 WeakPolarHBondContact OG-CG 3.27Å; S154-E157 PolarHBondContact OG-N 2.9Å; S154-E157 PolarHBondContact OG-OE2 3.48Å; S154-L158 PolarHBondContact O-N 3.32Å
155M69.6Low65.7Low73 Ų7387.5 Ų87.536%0.3651%0.513SS..Hα-helixtrans-60.9-27.9174.1-73.5-65.1-155.600112.5Y36 L53 T55 L158 G159Y36-M155 HydrophobicContact CD1-CE 4.15Å; Y36-M155 HydrophobicContact CD1-SD 4.08Å; Y36-M155 HydrophobicContact CD2-CE 4.44Å; Y36-M155 HydrophobicContact CE1-CE 3.45Å; Y36-M155 VanDerWaalsContact CE1-CE 3.45Å; Y36-M155 HydrophobicContact CE1-SD 3.55Å; Y36-M155 VanDerWaalsContact CE1-SD 3.55Å; Y36-M155 HydrophobicContact CE2-CE 3.84Å; Y36-M155 WeakPolarHBondContact OH-CE 3.44Å; L53-M155 HydrophobicContact CD1-SD 4.09Å; T55-M155 HydrophobicContact CG2-CE 3.81Å; M155-L158 PolarHBondContact O-N 2.96Å; M155-G159 PolarHBondContact O-N 3.24Å
156C58.6Low63.3Low105 Ų10592 Ų9271%0.70955%0.546SS*.Hα-helixtrans-62.4-44.5175.6-68.70000112.2S154 L158 G159 S160S154-C156 PolarHBondContact O-N 3.3Å; C156-L158 PolarHBondContact O-N 3.43Å; C156-G159 PolarHBondContact O-N 3.15Å; C156-G159 VanDerWaalsContact O-N 3.09Å; C156-S160 PolarHBondContact O-N 3.33Å
157E62.1Low61.1Low72 Ų7289.3 Ų89.334%0.33655%0.552SS.*Hα-helixtrans-62.8-27.3177-73.8169.4146.600112.3K43 Y151 I153 S154K43-E157 PolarHBondContact NZ-O 3.3Å; Y151-E157 PolarHBondContact OH-OE1 3.31Å; I153-E157 HydrophobicContact CG2-CB 4.46Å; S154-E157 PolarHBondContact N-OE2 3.44Å; S154-E157 PolarHBondContact O-N 3.33Å; S154-E157 VanDerWaalsContact OG-CG 3.31Å; S154-E157 WeakPolarHBondContact OG-CG 3.27Å; S154-E157 PolarHBondContact OG-N 2.9Å; S154-E157 PolarHBondContact OG-OE2 3.48Å
158L63Low58.6Low4 Ų491 Ų912%0.02155%0.553CS.*Hα-helixtrans-77.6-29.4177.3-153.263.9000112Y36 M39 L40 K43 L53 S154 M155 C156Y36-L158 HydrophobicContact CD1-CD2 3.58Å; Y36-L158 HydrophobicContact CE1-CD2 4.4Å; Y36-L158 HydrophobicContact CG-CD2 4.4Å; M39-L158 HydrophobicContact CB-CD1 3.85Å; M39-L158 HydrophobicContact CB-CD2 3.95Å; M39-L158 HydrophobicContact CB-CG 3.7Å; M39-L158 HydrophobicContact CE-CB 4.25Å; M39-L158 HydrophobicContact CE-CD2 4.24Å; M39-L158 HydrophobicContact CE-CG 3.77Å; M39-L158 WeakPolarHBondContact CE-O 3.16Å; M39-L158 HydrophobicContact SD-CD2 4.2Å; M39-L158 HydrophobicContact SD-CG 4.28Å; L40-L158 HydrophobicContact CB-CD1 4.43Å; L40-L158 HydrophobicContact CD2-CD1 3.52Å; L40-L158 HydrophobicContact CG-CD1 3.74Å; L40-L158 HydrophobicContact CG-CD2 4.47Å; K43-L158 VanDerWaalsContact CE-O 3.26Å; K43-L158 WeakPolarHBondContact CE-O 3.33Å; K43-L158 VanDerWaalsContact NZ-C 3.29Å; K43-L158 PolarHBondContact NZ-O 3.43Å; L53-L158 HydrophobicContact CD2-CD2 3.95Å; S154-L158 PolarHBondContact O-N 3.32Å; M155-L158 PolarHBondContact O-N 2.96Å; C156-L158 PolarHBondContact O-N 3.43Å
159G49.7Very low56.3Low54 Ų5489.7 Ų89.756%0.55756%0.564SS**Hα-helixtrans-80.8-28.4-175.300000116.8M155 C156 A161M155-G159 PolarHBondContact O-N 3.24Å; C156-G159 PolarHBondContact O-N 3.15Å; C156-G159 VanDerWaalsContact O-N 3.09Å; G159-A161 PolarHBondContact O-N 3.39Å
160S43.9Very low53.7Low94 Ų9491.6 Ų91.666%0.65757%0.573SS**  trans-80.883.5178.2-81.20000111.6K43 C156K43-S160 PolarHBondContact NZ-O 3.14Å; C156-S160 PolarHBondContact O-N 3.33Å
161A38.8Very low51Low82 Ų8297.7 Ų97.768%0.67861%0.605SS**  trans-10453.1162.800000109.5G159G159-A161 PolarHBondContact O-N 3.39Å
162N36.5Very low48.1Very low154 Ų15499.1 Ų99.182%0.82463%0.628SS**SBendtrans-139.4115.5160.6-81.9-23.3000105.6
163G36.4Very low45.2Very low79 Ų79103 Ų10381%0.81464%0.643SS**  trans-64.1138.5-170.300000113.2
164V30.1Very low42.3Very low141 Ų141106 Ų10686%0.85568%0.677SS**  175.3139.2124.6158.20000106.4
165T39.4Very low40Very low135 Ų135108.8 Ų108.883%0.82870%0.703SS**  trans-57.5138.8-178.844.30000114.1
166S31.7Very low38Very low115 Ų115108.3 Ų108.380%0.80472%0.716SS**  trans-171.4128.3131.5-176.50000110.5
167A35.6Very low36.9Very low94 Ų94108 Ų10878%0.77770%0.703SS**  trans-63.1126.4164.200000110.3
168F28.7Very low35.6Very low185 Ų185110.9 Ų110.981%0.81172%0.719SS**  trans-167.1124.1137.9-150.1-105.8000108.6V170F168-V170 HydrophobicContact CD1-CG2 4.32Å; F168-V170 PolarHBondContact O-N 2.51Å
169S35.4Very low34.1Very low104 Ų104112.6 Ų112.673%0.72773%0.732SS**  trans-61123.5170.747.50000110.7
170V31.2Very low33.3Very low130 Ų130114.3 Ų114.379%0.78874%0.736SS**  trans-136.3123.6153.4179.70000108.6F168F168-V170 HydrophobicContact CD1-CG2 4.32Å; F168-V170 PolarHBondContact O-N 2.51Å
171D33.8Very low32.6Very low146 Ų146113.8 Ų113.878%0.78174%0.737SS**  trans-50135176.1-141-10000111.9
172C29Very low32.5Very low129 Ų129118.9 Ų118.987%0.87275%0.746SS**  trans-159.196.4159.5-104.30000110.5
173K27.4Very low32.6Very low204 Ų204116.6 Ų116.689%0.88773%0.73SS**  trans-49.5144.9154.1-86.4171.4168.6172.80110.7
174G27Very low32.9Very low74 Ų74122.8 Ų122.876%0.76373%0.729SS**  trans13287.9155.700000115.2
175A32.6Very low33.7Very low111 Ų111116.9 Ų116.992%0.91769%0.693SS**  trans30.3135.3141.300000122
176G27.7Very low34.2Very low62 Ų62114.4 Ų114.464%0.63967%0.672SS**  trans12299.3131.100000116
177K34.8Very low35.3Very low98 Ų98113.8 Ų113.843%0.42667%0.665SS.*  trans-39.7157.8160.6-77.9173.8173.2171.80112.4T55T55-K177 VanDerWaalsContact O-CE 3.28Å; T55-K177 WeakPolarHBondContact O-CE 3.38Å; T55-K177 PolarHBondContact O-NZ 3.24Å
178I35.1Very low36.2Very low133 Ų133111.5 Ų111.568%0.68265%0.646SS**  -157.2136114.2-84134.7000110.4K301I178-K301 HydrophobicContact CD1-CD 4.32Å
179S31.3Very low37.9Very low40 Ų40106.2 Ų106.228%0.2863%0.629SS.*  trans-79.8136.5159-174.60000110.8E32 K35 A181E32-S179 WeakPolarHBondContact OE1-CB 3.48Å; E32-S179 PolarHBondContact OE1-OG 3.44Å; E32-S179 VanDerWaalsContact OE2-CB 3.27Å; E32-S179 WeakPolarHBondContact OE2-CB 3.19Å; E32-S179 PolarHBondContact OE2-OG 3.13Å; K35-S179 PolarHBondContact NZ-OG 2.98Å; K35-S179 VanDerWaalsContact NZ-OG 3.14Å; S179-A181 PolarHBondContact O-N 2.73Å
180S32.4Very low39.8Very low91 Ų91108.2 Ų108.264%0.63663%0.631SS**  trans-12.393.4161560000116.9
181A30.3Very low42Very low83 Ų83104.3 Ų104.369%0.68661%0.609SS**SBendtrans-137.8105.8147.800000105.8S179S179-A181 PolarHBondContact O-N 2.73Å
182H35.3Very low44.1Very low188 Ų18897.7 Ų97.787%0.8758%0.575SS**  trans38.378.7-179.7-86.9-93.4000114.5R184H182-R184 PolarHBondContact O-N 3.37Å
183Q39.1Very low46.6Very low106 Ų10695.5 Ų95.550%0.49555%0.554SS.*  trans-66.789.6169.2-152161.14.600108
184R42.5Very low49.4Very low210 Ų21090 Ų9079%0.79254%0.537SS*.PPolyproline II helixtrans-70130.4175.9-123.4179.7170.1-168.9-3.5107.1H182H182-R184 PolarHBondContact O-N 3.37Å
185L48.1Very low52.2Low17 Ų1786.4 Ų86.49%0.08950%0.501CS..PPolyproline II helixtrans-60.3148.2169.9-66.8163.4000108.4L245 V246L185-L245 WeakPolarHBondContact CD1-O 3.46Å; L185-V246 WeakPolarHBondContact CD1-O 3.47Å
186E50.2Low54.8Low83 Ų8384.6 Ų84.639%0.38847%0.472SS..PPolyproline II helixtrans-47148.8172-84.1-160.1138.200110.8A188 R296 Q299E186-A188 PolarHBondContact O-N 3.48Å; E186-R296 PolarHBondContact O-NH2 3.47Å; E186-Q299 HydrophobicContact CB-CB 4.44Å; E186-Q299 HydrophobicContact CG-CB 3.47Å; E186-Q299 VanDerWaalsContact CG-CB 3.47Å; E186-Q299 HydrophobicContact CG-CG 3.47Å; E186-Q299 VanDerWaalsContact CG-CG 3.47Å
187P53.5Low57.7Low101 Ų10186.4 Ų86.466%0.65647%0.466SS*.  trans-43132.2171.7-24.431.8000110T189P187-T189 PolarHBondContact O-N 3.45Å
188A55Low60.3Low46 Ų4684 Ų8438%0.3846%0.458SS..  trans-56.9118.7-17600000109E186 I193 R296E186-A188 PolarHBondContact O-N 3.48Å; A188-I193 HydrophobicContact CB-CD1 4.3Å; A188-I193 HydrophobicContact CB-CG1 3.64Å; A188-R296 VanDerWaalsContact CA-NH2 3.33Å
189T65.3Low62.9Low74 Ų7477.8 Ų77.845%0.45443%0.426SS..  trans-56.2150169.454.10000108.3P187 S191 G192 I193P187-T189 PolarHBondContact O-N 3.45Å; T189-S191 PolarHBondContact O-N 3.47Å; T189-G192 WeakPolarHBondContact O-CA 3.19Å; T189-G192 PolarHBondContact O-N 3.01Å; T189-G192 PolarHBondContact OG1-N 3.15Å; T189-I193 PolarHBondContact O-N 3.24Å; T189-I193 VanDerWaalsContact O-N 3.07Å
190L74.9Confident65.7Low147 Ų14779.8 Ų79.877%0.7743%0.433SS*.Hα-helixtrans-49.4-36.6177.8-69.6172.2000111.6I193 V194L190-I193 PolarHBondContact O-N 3.03Å; L190-V194 VanDerWaalsContact O-CG2 3.31Å; L190-V194 WeakPolarHBondContact O-CG2 3.48Å; L190-V194 PolarHBondContact O-N 2.81Å
191S76.9Confident68.5Low48 Ų4879.6 Ų79.634%0.33642%0.424SS..Hα-helixtrans-63-38.8173.9-163.50000114.2T189 G195 F288 Q292T189-S191 PolarHBondContact O-N 3.47Å; S191-G195 PolarHBondContact O-N 3.34Å; S191-F288 WeakPolarHBondContact OG-CZ 3.33Å; S191-Q292 PolarHBondContact OG-NE2 2.94Å
192G78.7Confident71.2Confident6 Ų675.8 Ų75.86%0.06239%0.393CS..Hα-helixtrans-70.3-34.9174.900000113.2T189 G195 F196T189-G192 WeakPolarHBondContact O-CA 3.19Å; T189-G192 PolarHBondContact O-N 3.01Å; T189-G192 PolarHBondContact OG1-N 3.15Å; G192-G195 PolarHBondContact O-N 2.78Å; G192-F196 WeakPolarHBondContact O-CB 3.38Å; G192-F196 PolarHBondContact O-N 3.13Å
193I81.2Confident73.7Confident83 Ų8367 Ų6743%0.42635%0.354SS..Hα-helixtrans-66-45.4174.1-60.4173.7000109.9A188 T189 L190 G195 F196 I197A188-I193 HydrophobicContact CB-CD1 4.3Å; A188-I193 HydrophobicContact CB-CG1 3.64Å; T189-I193 PolarHBondContact O-N 3.24Å; T189-I193 VanDerWaalsContact O-N 3.07Å; L190-I193 PolarHBondContact O-N 3.03Å; I193-G195 VanDerWaalsContact C-N 3.34Å; I193-G195 PolarHBondContact O-N 2.7Å; I193-F196 WeakPolarHBondContact O-CB 3.32Å; I193-F196 PolarHBondContact O-N 3.19Å; I193-I197 WeakPolarHBondContact O-CG1 3.46Å; I193-I197 PolarHBondContact O-N 3.14Å
194V86.3Confident76.2Confident88 Ų8864 Ų6453%0.53335%0.347SS..Hα-helixtrans-58.8-46.1174.91720000110.7L190 F196 I197 L198L190-V194 VanDerWaalsContact O-CG2 3.31Å; L190-V194 WeakPolarHBondContact O-CG2 3.48Å; L190-V194 PolarHBondContact O-N 2.81Å; V194-F196 VanDerWaalsContact C-N 3.33Å; V194-F196 PolarHBondContact O-N 3.44Å; V194-I197 PolarHBondContact O-N 3.22Å; V194-L198 VanDerWaalsContact O-CB 3.24Å; V194-L198 WeakPolarHBondContact O-CB 3.21Å; V194-L198 PolarHBondContact O-N 2.9Å
195G85.4Confident78.3Confident0 Ų057 Ų570%033%0.325CS..Hα-helixtrans-60.3-39.5176.300000113.4S191 G192 I193 L198 S199 V289S191-G195 PolarHBondContact O-N 3.34Å; G192-G195 PolarHBondContact O-N 2.78Å; I193-G195 VanDerWaalsContact C-N 3.34Å; I193-G195 PolarHBondContact O-N 2.7Å; G195-L198 PolarHBondContact O-N 3.49Å; G195-S199 WeakPolarHBondContact O-CB 3.46Å; G195-S199 PolarHBondContact O-N 3.35Å; G195-V289 WeakPolarHBondContact O-CG2 3.29Å
196F86.1Confident80.2Confident72 Ų7256.3 Ų56.332%0.31632%0.321SS..Hα-helixtrans-63.8-48.8176.6178.5-94.5000112.4G192 I193 V194 L198 S199 L200 C242 L245 V246G192-F196 WeakPolarHBondContact O-CB 3.38Å; G192-F196 PolarHBondContact O-N 3.13Å; I193-F196 WeakPolarHBondContact O-CB 3.32Å; I193-F196 PolarHBondContact O-N 3.19Å; V194-F196 VanDerWaalsContact C-N 3.33Å; V194-F196 PolarHBondContact O-N 3.44Å; F196-L198 VanDerWaalsContact C-N 3.3Å; F196-L198 PolarHBondContact O-N 3.25Å; F196-S199 PolarHBondContact O-N 3.28Å; F196-L200 WeakPolarHBondContact O-CB 3.47Å; F196-L200 PolarHBondContact O-N 3.35Å; F196-C242 HydrophobicContact CD2-CB 4.08Å; F196-C242 HydrophobicContact CE2-CB 3.85Å; F196-L245 HydrophobicContact CB-CD1 4.34Å; F196-V246 HydrophobicContact CD2-CG2 4.23Å; F196-V246 HydrophobicContact CE2-CG2 3.93Å
197I89.8Confident82.1Confident101 Ų10155.6 Ų55.652%0.51832%0.32SS..Hα-helixtrans-62.1-41.7178.4-64.1-63.1000110.7I193 V194 L200 L201I193-I197 WeakPolarHBondContact O-CG1 3.46Å; I193-I197 PolarHBondContact O-N 3.14Å; V194-I197 PolarHBondContact O-N 3.22Å; I197-L200 PolarHBondContact O-N 3.32Å; I197-L201 PolarHBondContact O-N 3.49Å
198L89.2Confident83.7Confident48 Ų4856 Ų5625%0.25132%0.315SS..Hα-helixtrans-69.2-37.2-178.1-160.160.2000112.3V194 G195 F196 L201 C202 F281 V285V194-L198 VanDerWaalsContact O-CB 3.24Å; V194-L198 WeakPolarHBondContact O-CB 3.21Å; V194-L198 PolarHBondContact O-N 2.9Å; G195-L198 PolarHBondContact O-N 3.49Å; F196-L198 VanDerWaalsContact C-N 3.3Å; F196-L198 PolarHBondContact O-N 3.25Å; L198-L201 HydrophobicContact CD1-CD2 4.45Å; L198-L201 PolarHBondContact O-N 3.03Å; L198-C202 VanDerWaalsContact O-CB 3.3Å; L198-C202 WeakPolarHBondContact O-CB 3.25Å; L198-C202 PolarHBondContact O-N 2.96Å; L198-F281 HydrophobicContact CD1-CE2 3.84Å; L198-F281 HydrophobicContact CD1-CZ 3.57Å; L198-F281 HydrophobicContact CG-CZ 4.29Å; L198-V285 HydrophobicContact CB-CG1 4.1Å; L198-V285 HydrophobicContact CD1-CG2 4.29Å; L198-V285 HydrophobicContact CD2-CB 4.37Å; L198-V285 HydrophobicContact CD2-CG1 4.19Å; L198-V285 HydrophobicContact CD2-CG2 3.48Å; L198-V285 VanDerWaalsContact CD2-CG2 3.48Å; L198-V285 HydrophobicContact CG-CB 4.28Å; L198-V285 HydrophobicContact CG-CG1 3.78Å; L198-V285 HydrophobicContact CG-CG2 3.47Å; L198-V285 VanDerWaalsContact CG-CG2 3.47Å
199S88.6Confident85.1Confident1 Ų157.1 Ų57.11%0.00731%0.31CS..Hα-helixtrans-65.8-39.4172-171.10000112.3G195 F196 C202 G203 C238 C242G195-S199 WeakPolarHBondContact O-CB 3.46Å; G195-S199 PolarHBondContact O-N 3.35Å; F196-S199 PolarHBondContact O-N 3.28Å; S199-C202 WeakPolarHBondContact O-CB 3.32Å; S199-C202 PolarHBondContact O-N 2.91Å; S199-G203 PolarHBondContact O-N 3.14Å; S199-C238 PolarHBondContact OG-O 3.34Å; S199-C242 WeakPolarHBondContact CB-SG 3.36Å; S199-C242 PolarHBondContact OG-SG 2.97Å
200L90.1Very high86.1Confident83 Ų8353.6 Ų53.644%0.43529%0.288SS..Hα-helixtrans-64.8-43.4175.8-170.869.4000111.5F196 I197 C202 G203 A204 L239F196-L200 WeakPolarHBondContact O-CB 3.47Å; F196-L200 PolarHBondContact O-N 3.35Å; I197-L200 PolarHBondContact O-N 3.32Å; L200-C202 VanDerWaalsContact C-N 3.33Å; L200-C202 PolarHBondContact O-N 3.39Å; L200-G203 PolarHBondContact O-N 2.87Å; L200-A204 PolarHBondContact O-N 2.77Å; L200-L239 HydrophobicContact CD1-CD2 4.34Å
201L91.8Very high86.6Confident86 Ų8652 Ų5245%0.4528%0.275SS..Hα-helixtrans-60.6-43.5174.6-176.967.4000111.4I197 L198 G203 A204 L205 F281I197-L201 PolarHBondContact O-N 3.49Å; L198-L201 HydrophobicContact CD1-CD2 4.45Å; L198-L201 PolarHBondContact O-N 3.03Å; L201-G203 VanDerWaalsContact C-N 3.35Å; L201-G203 PolarHBondContact O-N 2.96Å; L201-A204 PolarHBondContact O-N 3.21Å; L201-L205 HydrophobicContact CG-CD1 4.29Å; L201-L205 WeakPolarHBondContact O-CG 3.37Å; L201-L205 PolarHBondContact O-N 3.48Å; L201-F281 HydrophobicContact CD2-CZ 4.34Å
202C88.1Confident86.9Confident3 Ų356.1 Ų56.12%0.0229%0.289CS..Hα-helixtrans-59.1-43.3175.1168.70000112.2L198 S199 L200 N206 C238 H282 V285L198-C202 VanDerWaalsContact O-CB 3.3Å; L198-C202 WeakPolarHBondContact O-CB 3.25Å; L198-C202 PolarHBondContact O-N 2.96Å; S199-C202 WeakPolarHBondContact O-CB 3.32Å; S199-C202 PolarHBondContact O-N 2.91Å; L200-C202 VanDerWaalsContact C-N 3.33Å; L200-C202 PolarHBondContact O-N 3.39Å; C202-N206 PolarHBondContact O-N 3.22Å; C202-N206 VanDerWaalsContact O-N 3.12Å; C202-N206 PolarHBondContact O-ND2 3.26Å; C202-C238 PolarHBondContact SG-SG 2.87Å; C202-H282 PolarHBondContact SG-ND1 3.12Å; C202-V285 HydrophobicContact CB-CG1 4.4Å
203G87.8Confident87.1Confident5 Ų556.7 Ų56.75%0.05229%0.293CS..Hα-helixtrans-62.8-43.9172.700000113S199 L200 L201 N206 L207S199-G203 PolarHBondContact O-N 3.14Å; L200-G203 PolarHBondContact O-N 2.87Å; L201-G203 VanDerWaalsContact C-N 3.35Å; L201-G203 PolarHBondContact O-N 2.96Å; G203-N206 PolarHBondContact O-N 2.76Å; G203-L207 WeakPolarHBondContact O-CB 3.43Å; G203-L207 PolarHBondContact O-N 2.96Å
204A90.1Very high87.2Confident43 Ų4355.2 Ų55.236%0.35529%0.285SS..Hα-helixtrans-63.3-42.5178.400000112.4L200 L201 L207 I208L200-A204 PolarHBondContact O-N 2.77Å; L201-A204 PolarHBondContact O-N 3.21Å; A204-L207 PolarHBondContact O-N 3.49Å; A204-I208 VanDerWaalsContact O-CG1 3.29Å; A204-I208 WeakPolarHBondContact O-CG1 3.49Å; A204-I208 PolarHBondContact O-N 3.05Å
205L87.9Confident86.9Confident63 Ų6356.5 Ų56.533%0.3329%0.285SS..Hα-helixtrans-64.9-39176.6-69.1172.9000112.3L201 L207 R209 F281L201-L205 HydrophobicContact CG-CD1 4.29Å; L201-L205 WeakPolarHBondContact O-CG 3.37Å; L201-L205 PolarHBondContact O-N 3.48Å; L205-L207 VanDerWaalsContact C-N 3.32Å; L205-R209 WeakPolarHBondContact O-CG 3.1Å; L205-R209 PolarHBondContact O-N 3.3Å; L205-F281 HydrophobicContact CD1-CE1 4.42Å
206N87.8Confident86.4Confident1 Ų158.8 Ų58.81%0.00530%0.302CS..Hα-helixtrans-63.4-40.4173.6-70.3-16000111.3C202 G203 G210 T235 R274 H282C202-N206 PolarHBondContact O-N 3.22Å; C202-N206 VanDerWaalsContact O-N 3.12Å; C202-N206 PolarHBondContact O-ND2 3.26Å; G203-N206 PolarHBondContact O-N 2.76Å; N206-G210 PolarHBondContact O-N 2.84Å; N206-T235 WeakPolarHBondContact CB-OG1 3.36Å; N206-R274 PolarHBondContact OD1-NH1 3.23Å; N206-R274 PolarHBondContact OD1-NH2 3Å; N206-H282 PolarHBondContact OD1-CE1 3.33Å
207L88.8Confident85.9Confident68 Ų6857.6 Ų57.636%0.35630%0.298SS..Hα-helixtrans-69.2-46.2-179.6-173.1138.4000111.9G203 A204 L205 R209 G210 F211 T235G203-L207 WeakPolarHBondContact O-CB 3.43Å; G203-L207 PolarHBondContact O-N 2.96Å; A204-L207 PolarHBondContact O-N 3.49Å; L205-L207 VanDerWaalsContact C-N 3.32Å; L207-R209 VanDerWaalsContact C-N 3.27Å; L207-R209 PolarHBondContact O-N 3.28Å; L207-G210 PolarHBondContact O-N 3.49Å; L207-G210 VanDerWaalsContact O-N 3.14Å; L207-F211 HydrophobicContact CD1-CE2 4.34Å; L207-F211 HydrophobicContact CD2-CD2 3.59Å; L207-F211 HydrophobicContact CD2-CE2 3.59Å; L207-F211 HydrophobicContact CG-CD2 3.86Å; L207-F211 HydrophobicContact CG-CE2 3.78Å; L207-F211 VanDerWaalsContact O-CD2 3.3Å; L207-F211 WeakPolarHBondContact O-CD2 3.25Å; L207-F211 PolarHBondContact O-N 3.23Å; L207-T235 HydrophobicContact CB-CG2 4.29Å; L207-T235 HydrophobicContact CD1-CG2 4.22Å
208I87.9Confident85.2Confident110 Ų11059.9 Ų59.956%0.56431%0.31SS*.Hα-helixtrans-56.5-43.9176-68.8164.1000110.6A204 F211 H212A204-I208 VanDerWaalsContact O-CG1 3.29Å; A204-I208 WeakPolarHBondContact O-CG1 3.49Å; A204-I208 PolarHBondContact O-N 3.05Å; I208-F211 PolarHBondContact O-N 3.48Å; I208-H212 PolarHBondContact O-N 3.49Å
209R85.1Confident84.4Confident69 Ų6965.2 Ų65.226%0.2633%0.334SS..Hα-helixtrans-70.6-36.9176.8-72.4-172177.4148.53.9113.6L205 L207 F211 H212 A213 F231L205-R209 WeakPolarHBondContact O-CG 3.1Å; L205-R209 PolarHBondContact O-N 3.3Å; L207-R209 VanDerWaalsContact C-N 3.27Å; L207-R209 PolarHBondContact O-N 3.28Å; R209-F211 VanDerWaalsContact C-N 3.31Å; R209-H212 PolarHBondContact O-N 2.93Å; R209-A213 VanDerWaalsContact O-CB 3.3Å; R209-A213 WeakPolarHBondContact O-CB 3.49Å; R209-A213 PolarHBondContact O-N 3.38Å; R209-F231 HydrophobicContact CB-CD1 3.85Å; R209-F231 HydrophobicContact CB-CE1 3.54Å; R209-F231 HydrophobicContact CB-CG 4.47Å; R209-F231 HydrophobicContact CB-CZ 3.93Å; R209-F231 HydrophobicContact CG-CE1 4.39Å
210G85.2Confident83.2Confident0 Ų068 Ų680%035%0.353CS..Hα-helixtrans-59.8-43.3172.900000111.6N206 L207 A213 I214N206-G210 PolarHBondContact O-N 2.84Å; L207-G210 PolarHBondContact O-N 3.49Å; L207-G210 VanDerWaalsContact O-N 3.14Å; G210-A213 PolarHBondContact O-N 2.97Å; G210-I214 VanDerWaalsContact O-CG1 3.3Å; G210-I214 WeakPolarHBondContact O-CG1 3.5Å; G210-I214 PolarHBondContact O-N 2.87Å
211F86.3Confident81.7Confident115 Ų11572 Ų7250%0.50438%0.376SS..Hα-helixtrans-66.6-42.4175.4-87.4-75.9000112.8L207 I208 R209 A213 I214 E215 F232L207-F211 HydrophobicContact CD1-CE2 4.34Å; L207-F211 HydrophobicContact CD2-CD2 3.59Å; L207-F211 HydrophobicContact CD2-CE2 3.59Å; L207-F211 HydrophobicContact CG-CD2 3.86Å; L207-F211 HydrophobicContact CG-CE2 3.78Å; L207-F211 VanDerWaalsContact O-CD2 3.3Å; L207-F211 WeakPolarHBondContact O-CD2 3.25Å; L207-F211 PolarHBondContact O-N 3.23Å; I208-F211 PolarHBondContact O-N 3.48Å; R209-F211 VanDerWaalsContact C-N 3.31Å; F211-A213 VanDerWaalsContact C-N 3.3Å; F211-A213 PolarHBondContact O-N 3.47Å; F211-I214 HydrophobicContact CD1-CD1 4.43Å; F211-I214 WeakPolarHBondContact O-CB 3.43Å; F211-I214 PolarHBondContact O-N 3.31Å; F211-E215 PolarHBondContact O-N 2.95Å; F211-F232 HydrophobicContact CE2-CZ 4.41Å
212H83.8Confident80.1Confident134 Ų13470.5 Ų70.562%0.6238%0.38SS*.Hα-helixtrans-64.5-35.3175.1-168.8-90.7000112.2I208 R209 E215 S216I208-H212 PolarHBondContact O-N 3.49Å; R209-H212 PolarHBondContact O-N 2.93Å; H212-E215 PolarHBondContact O-N 2.86Å; H212-S216 WeakPolarHBondContact O-CB 3.48Å; H212-S216 PolarHBondContact O-N 3.35Å
213A81.9Confident78.8Confident17 Ų1777 Ų7714%0.1442%0.415CS..Hα-helixtrans-68.8-35.6173.400000112.1R209 G210 F211 S216 L217 I228 F231R209-A213 VanDerWaalsContact O-CB 3.3Å; R209-A213 WeakPolarHBondContact O-CB 3.49Å; R209-A213 PolarHBondContact O-N 3.38Å; G210-A213 PolarHBondContact O-N 2.97Å; F211-A213 VanDerWaalsContact C-N 3.3Å; F211-A213 PolarHBondContact O-N 3.47Å; A213-S216 PolarHBondContact O-N 2.84Å; A213-L217 WeakPolarHBondContact O-CB 3.46Å; A213-L217 PolarHBondContact O-N 3.34Å; A213-I228 HydrophobicContact CB-CG1 3.71Å; A213-F231 HydrophobicContact CB-CD2 4.38Å; A213-F231 HydrophobicContact CB-CE2 4.37Å
214I82.8Confident77.9Confident52 Ų5278.7 Ų78.727%0.26742%0.423SS..Hα-helixtrans-63.2-44171.5-70.5162.3000110.9G210 F211 S216 L217 L218 I228 F232G210-I214 VanDerWaalsContact O-CG1 3.3Å; G210-I214 WeakPolarHBondContact O-CG1 3.5Å; G210-I214 PolarHBondContact O-N 2.87Å; F211-I214 HydrophobicContact CD1-CD1 4.43Å; F211-I214 WeakPolarHBondContact O-CB 3.43Å; F211-I214 PolarHBondContact O-N 3.31Å; I214-S216 VanDerWaalsContact C-N 3.3Å; I214-S216 PolarHBondContact O-N 3.28Å; I214-L217 PolarHBondContact O-N 2.95Å; I214-L218 HydrophobicContact CG2-CD1 4.13Å; I214-L218 PolarHBondContact O-N 3.11Å; I214-I228 HydrophobicContact CB-CD1 4.49Å; I214-I228 HydrophobicContact CD1-CG2 4.15Å; I214-I228 HydrophobicContact CG1-CD1 3.95Å; I214-I228 HydrophobicContact CG1-CG1 4.13Å; I214-I228 HydrophobicContact CG1-CG2 3.66Å; I214-F232 HydrophobicContact CD1-CE2 3.44Å; I214-F232 VanDerWaalsContact CD1-CE2 3.44Å; I214-F232 HydrophobicContact CD1-CZ 3.59Å; I214-F232 HydrophobicContact CG1-CE2 4.31Å
215E81.6Confident77.3Confident115 Ų11582.3 Ų82.354%0.53743%0.431SS..Hα-helixtrans-62.8-38.6177.1-170.9172.7-170.600111.6F211 H212 L218F211-E215 PolarHBondContact O-N 2.95Å; H212-E215 PolarHBondContact O-N 2.86Å; E215-L218 PolarHBondContact O-N 2.97Å
216S74.2Confident77.1Confident49 Ų4983.7 Ų83.734%0.34344%0.438SS..Hα-helixtrans-65.3-41.7172.1-172.50000112.8H212 A213 I214 L218 Q219 S220H212-S216 WeakPolarHBondContact O-CB 3.48Å; H212-S216 PolarHBondContact O-N 3.35Å; A213-S216 PolarHBondContact O-N 2.84Å; I214-S216 VanDerWaalsContact C-N 3.3Å; I214-S216 PolarHBondContact O-N 3.28Å; S216-L218 VanDerWaalsContact C-N 3.31Å; S216-L218 PolarHBondContact O-N 2.64Å; S216-Q219 CarbonylContact O-C 3.53Å; S216-Q219 WeakPolarHBondContact O-CA 3.38Å; S216-Q219 PolarHBondContact O-N 3.26Å; S216-S220 VanDerWaalsContact O-CB 3.28Å; S216-S220 WeakPolarHBondContact O-CB 3.18Å; S216-S220 PolarHBondContact O-N 3.29Å; S216-S220 VanDerWaalsContact O-N 3.08Å
217L76.1Confident76.8Confident47 Ų4786.4 Ų86.425%0.24645%0.449CS..Hα-helixtrans-64.2-34.9176.3-179.974.3000111.9A213 I214 Q219 S220 D224 F225 I228A213-L217 WeakPolarHBondContact O-CB 3.46Å; A213-L217 PolarHBondContact O-N 3.34Å; I214-L217 PolarHBondContact O-N 2.95Å; L217-Q219 PolarHBondContact O-N 2.96Å; L217-S220 PolarHBondContact O-N 2.98Å; L217-D224 HydrophobicContact CB-CB 4.41Å; L217-D224 HydrophobicContact CD1-CB 4.04Å; L217-F225 HydrophobicContact CD2-CD2 4.05Å; L217-I228 HydrophobicContact CB-CD1 3.72Å; L217-I228 HydrophobicContact CD2-CD1 3.52Å; L217-I228 HydrophobicContact CG-CD1 4.16Å
218L74.4Confident76.6Confident148 Ų14883.7 Ų83.778%0.77544%0.435SS*.THydrogen-bonded Turntrans-65.2-17.6173.6-82.3155.1000112.8I214 E215 S216I214-L218 HydrophobicContact CG2-CD1 4.13Å; I214-L218 PolarHBondContact O-N 3.11Å; E215-L218 PolarHBondContact O-N 2.97Å; S216-L218 VanDerWaalsContact C-N 3.31Å; S216-L218 PolarHBondContact O-N 2.64Å
219Q72.3Confident76.5Confident161 Ų16182.2 Ų82.275%0.75243%0.427SS*.THydrogen-bonded Turntrans-104.1-8.5178.8-64.9176.73.500113.4S216 L217S216-Q219 CarbonylContact O-C 3.53Å; S216-Q219 WeakPolarHBondContact O-CA 3.38Å; S216-Q219 PolarHBondContact O-N 3.26Å; L217-Q219 PolarHBondContact O-N 2.96Å
220S63.4Low76.6Confident58 Ų5879.2 Ų79.241%0.40642%0.417SS..SBendtrans-137.5133.2-167.3173.50000112.2S216 L217 G222S216-S220 VanDerWaalsContact O-CB 3.28Å; S216-S220 WeakPolarHBondContact O-CB 3.18Å; S216-S220 PolarHBondContact O-N 3.29Å; S216-S220 VanDerWaalsContact O-N 3.08Å; L217-S220 PolarHBondContact O-N 2.98Å; S220-G222 PolarHBondContact O-N 3.25Å
221D59.4Low76.7Confident169 Ų16979.6 Ų79.690%0.90442%0.419SS*.  trans-71.893.6179.5-91.1-28.5000112.3D223D221-D223 PolarHBondContact O-N 2.9Å
222G58.2Low76.8Confident53 Ų5377.7 Ų77.755%0.54641%0.41SS..SBendtrans101.5-26.4134.900000120.3S220S220-G222 PolarHBondContact O-N 3.25Å
223D60.3Low77.1Confident141 Ų14174.8 Ų74.875%0.75440%0.399SS*.SBendtrans-93.2-10-169.5-75.4-23.4000115.3D221D221-D223 PolarHBondContact O-N 2.9Å
224D67.7Low77.3Confident40 Ų4074.1 Ų74.121%0.21439%0.393CS..SBendtrans-87.9-5.1-172.3-69.5-36.4000115.3L217 N226 Y227 I228L217-D224 HydrophobicContact CB-CB 4.41Å; L217-D224 HydrophobicContact CD1-CB 4.04Å; D224-N226 VanDerWaalsContact C-N 3.34Å; D224-N226 PolarHBondContact O-N 3.38Å; D224-Y227 PolarHBondContact O-N 3.29Å; D224-I228 WeakPolarHBondContact O-CG1 3.2Å; D224-I228 PolarHBondContact O-N 2.84Å; D224-I228 VanDerWaalsContact O-N 3.14Å
225F78.6Confident77.6Confident119 Ų11972.1 Ų72.152%0.52238%0.384SS..Hα-helixtrans-64-36.4-173.1-170.1-107.3000113.4L217 Y227 I228 I229L217-F225 HydrophobicContact CD2-CD2 4.05Å; F225-Y227 VanDerWaalsContact C-N 3.33Å; F225-Y227 PolarHBondContact O-N 3.1Å; F225-I228 WeakPolarHBondContact O-CB 3.48Å; F225-I228 PolarHBondContact O-N 2.71Å; F225-I229 HydrophobicContact CD1-CD1 3.62Å; F225-I229 HydrophobicContact CD1-CG1 4.36Å; F225-I229 HydrophobicContact CE1-CD1 3.34Å; F225-I229 HydrophobicContact CE1-CG1 4.09Å; F225-I229 HydrophobicContact CZ-CD1 4.07Å; F225-I229 HydrophobicContact CZ-CG1 4.4Å; F225-I229 WeakPolarHBondContact O-CG1 3.17Å; F225-I229 PolarHBondContact O-N 2.77Å
226N83.1Confident77.9Confident91 Ų9169.2 Ų69.249%0.48738%0.379SS..Hα-helixtrans-67.4-35.7178.5-67.2-34.1000112D224 I229 A230 Y269D224-N226 VanDerWaalsContact C-N 3.34Å; D224-N226 PolarHBondContact O-N 3.38Å; N226-I229 PolarHBondContact O-N 3.27Å; N226-A230 PolarHBondContact O-N 2.93Å; N226-Y269 HydrophobicContact CB-CE1 4.1Å; N226-Y269 VanDerWaalsContact CB-OH 3.27Å; N226-Y269 WeakPolarHBondContact CB-OH 3.46Å
227Y82.5Confident78.6Confident59 Ų5967 Ų6723%0.23136%0.364CS..Hα-helixtrans-68-39.8175.7-60.8-58.8000111.4D224 F225 I229 A230 F231 Y269 L270 L273D224-Y227 PolarHBondContact O-N 3.29Å; F225-Y227 VanDerWaalsContact C-N 3.33Å; F225-Y227 PolarHBondContact O-N 3.1Å; Y227-I229 PolarHBondContact O-N 3.32Å; Y227-A230 WeakPolarHBondContact O-CB 3.43Å; Y227-A230 PolarHBondContact O-N 3.02Å; Y227-F231 WeakPolarHBondContact O-CD2 3.42Å; Y227-F231 PolarHBondContact O-N 3.33Å; Y227-Y269 HydrophobicContact CD1-CD1 4.25Å; Y227-Y269 AromaticContact CD1-CE1 3.87Å; Y227-Y269 HydrophobicContact CD1-CE1 3.87Å; Y227-Y269 HydrophobicContact CE1-CE1 4.06Å; Y227-L270 HydrophobicContact CD1-CD2 3.96Å; Y227-L273 HydrophobicContact CD1-CD1 3.42Å; Y227-L273 VanDerWaalsContact CD1-CD1 3.42Å; Y227-L273 HydrophobicContact CD2-CD1 4Å; Y227-L273 HydrophobicContact CE1-CD1 3.87Å; Y227-L273 HydrophobicContact CE2-CD1 4.42Å; Y227-L273 HydrophobicContact CG-CD1 3.49Å; Y227-L273 VanDerWaalsContact CG-CD1 3.49Å
228I84.4Confident79.2Confident10 Ų1064.9 Ų64.95%0.05135%0.353CS..Hα-helixtrans-57.3-51.3173.6-68.3163.4000110.1A213 I214 L217 D224 F225 A230 F231 F232A213-I228 HydrophobicContact CB-CG1 3.71Å; I214-I228 HydrophobicContact CB-CD1 4.49Å; I214-I228 HydrophobicContact CD1-CG2 4.15Å; I214-I228 HydrophobicContact CG1-CD1 3.95Å; I214-I228 HydrophobicContact CG1-CG1 4.13Å; I214-I228 HydrophobicContact CG1-CG2 3.66Å; L217-I228 HydrophobicContact CB-CD1 3.72Å; L217-I228 HydrophobicContact CD2-CD1 3.52Å; L217-I228 HydrophobicContact CG-CD1 4.16Å; D224-I228 WeakPolarHBondContact O-CG1 3.2Å; D224-I228 PolarHBondContact O-N 2.84Å; D224-I228 VanDerWaalsContact O-N 3.14Å; F225-I228 WeakPolarHBondContact O-CB 3.48Å; F225-I228 PolarHBondContact O-N 2.71Å; I228-A230 VanDerWaalsContact C-N 3.27Å; I228-A230 PolarHBondContact O-N 3.26Å; I228-F231 PolarHBondContact O-N 3.43Å; I228-F231 VanDerWaalsContact O-N 3.11Å; I228-F232 HydrophobicContact CG2-CD2 3.76Å; I228-F232 HydrophobicContact CG2-CE2 3.7Å; I228-F232 VanDerWaalsContact O-CD2 3.25Å; I228-F232 WeakPolarHBondContact O-CD2 3.35Å; I228-F232 PolarHBondContact O-N 3.09Å; I228-F232 VanDerWaalsContact O-N 3.08Å
229I85.9Confident79.8Confident80 Ų8062.1 Ų62.141%0.4134%0.339SS..Hα-helixtrans-56.3-44.1177.2-68.5167.3000110.9F225 N226 Y227 F231 F232 L233F225-I229 HydrophobicContact CD1-CD1 3.62Å; F225-I229 HydrophobicContact CD1-CG1 4.36Å; F225-I229 HydrophobicContact CE1-CD1 3.34Å; F225-I229 HydrophobicContact CE1-CG1 4.09Å; F225-I229 HydrophobicContact CZ-CD1 4.07Å; F225-I229 HydrophobicContact CZ-CG1 4.4Å; F225-I229 WeakPolarHBondContact O-CG1 3.17Å; F225-I229 PolarHBondContact O-N 2.77Å; N226-I229 PolarHBondContact O-N 3.27Å; Y227-I229 PolarHBondContact O-N 3.32Å; I229-F231 VanDerWaalsContact C-N 3.33Å; I229-F231 PolarHBondContact O-N 3.33Å; I229-F232 PolarHBondContact O-N 3.34Å; I229-L233 VanDerWaalsContact O-CB 3.23Å; I229-L233 WeakPolarHBondContact O-CB 3.27Å; I229-L233 PolarHBondContact O-N 3.43Å
230A86.7Confident80.5Confident6 Ų658.8 Ų58.85%0.0532%0.32CS..Hα-helixtrans-62.2-37179.100000113N226 Y227 I228 G234 Y269 L270N226-A230 PolarHBondContact O-N 2.93Å; Y227-A230 WeakPolarHBondContact O-CB 3.43Å; Y227-A230 PolarHBondContact O-N 3.02Å; I228-A230 VanDerWaalsContact C-N 3.27Å; I228-A230 PolarHBondContact O-N 3.26Å; A230-G234 PolarHBondContact O-N 2.92Å; A230-Y269 HydrophobicContact CB-CD1 3.69Å; A230-Y269 HydrophobicContact CB-CE1 4.33Å; A230-L270 HydrophobicContact CB-CD1 4.03Å; A230-L270 HydrophobicContact CB-CD2 4.07Å; A230-L270 HydrophobicContact CB-CG 3.93Å
231F87.1Confident81.5Confident8 Ų856.1 Ų56.14%0.03530%0.301CS..Hα-helixtrans-66.7-43.1174.2-76.1-67000112.8R209 A213 Y227 I228 I229 G234 T235 L270R209-F231 HydrophobicContact CB-CD1 3.85Å; R209-F231 HydrophobicContact CB-CE1 3.54Å; R209-F231 HydrophobicContact CB-CG 4.47Å; R209-F231 HydrophobicContact CB-CZ 3.93Å; R209-F231 HydrophobicContact CG-CE1 4.39Å; A213-F231 HydrophobicContact CB-CD2 4.38Å; A213-F231 HydrophobicContact CB-CE2 4.37Å; Y227-F231 WeakPolarHBondContact O-CD2 3.42Å; Y227-F231 PolarHBondContact O-N 3.33Å; I228-F231 PolarHBondContact O-N 3.43Å; I228-F231 VanDerWaalsContact O-N 3.11Å; I229-F231 VanDerWaalsContact C-N 3.33Å; I229-F231 PolarHBondContact O-N 3.33Å; F231-G234 PolarHBondContact O-N 3.43Å; F231-T235 PolarHBondContact O-N 3.38Å; F231-T235 PolarHBondContact O-OG1 3.32Å; F231-L270 HydrophobicContact CD1-CD1 3.7Å; F231-L270 HydrophobicContact CD2-CD1 4.45Å; F231-L270 HydrophobicContact CD2-CD2 4.02Å; F231-L270 HydrophobicContact CE1-CD1 3.73Å; F231-L270 HydrophobicContact CE1-CD2 4.19Å; F231-L270 HydrophobicContact CE2-CD1 4.46Å; F231-L270 HydrophobicContact CE2-CD2 3.6Å; F231-L270 HydrophobicContact CG-CD1 4.06Å; F231-L270 HydrophobicContact CG-CD2 4.45Å; F231-L270 HydrophobicContact CZ-CD1 4.11Å; F231-L270 HydrophobicContact CZ-CD2 3.69Å; F231-L270 HydrophobicContact CZ-CG 4.45Å
232F88.2Confident82.7Confident75 Ų7548.5 Ų48.533%0.32926%0.261SS..Hα-helixtrans-69.2-39.8177.1-79.2-78.2000112.2F211 I214 I228 I229 T235 A236F211-F232 HydrophobicContact CE2-CZ 4.41Å; I214-F232 HydrophobicContact CD1-CE2 3.44Å; I214-F232 VanDerWaalsContact CD1-CE2 3.44Å; I214-F232 HydrophobicContact CD1-CZ 3.59Å; I214-F232 HydrophobicContact CG1-CE2 4.31Å; I228-F232 HydrophobicContact CG2-CD2 3.76Å; I228-F232 HydrophobicContact CG2-CE2 3.7Å; I228-F232 VanDerWaalsContact O-CD2 3.25Å; I228-F232 WeakPolarHBondContact O-CD2 3.35Å; I228-F232 PolarHBondContact O-N 3.09Å; I228-F232 VanDerWaalsContact O-N 3.08Å; I229-F232 PolarHBondContact O-N 3.34Å; F232-T235 WeakPolarHBondContact O-CB 3.37Å; F232-T235 PolarHBondContact O-N 3.02Å; F232-A236 PolarHBondContact O-N 2.85Å
233L90.3Very high83.9Confident73 Ų7351 Ų5138%0.38226%0.255SS..Hα-helixtrans-64.6-40.8176.2-170.160.6000111.4I229 A236 A237 L262I229-L233 VanDerWaalsContact O-CB 3.23Å; I229-L233 WeakPolarHBondContact O-CB 3.27Å; I229-L233 PolarHBondContact O-N 3.43Å; L233-A236 PolarHBondContact O-N 3.41Å; L233-A237 WeakPolarHBondContact O-CB 3.35Å; L233-A237 PolarHBondContact O-N 3.39Å; L233-L262 HydrophobicContact CD1-CD2 4.2Å; L233-L262 HydrophobicContact CD2-CD1 4.01Å; L233-L262 HydrophobicContact CG-CD1 4.22Å; L233-L262 HydrophobicContact CG-CD2 4.36Å; L233-L262 HydrophobicContact CG-CG 4.46Å
234G86.9Confident85Confident2 Ų244.2 Ų44.22%0.02122%0.219CC..Hα-helixtrans-61-41.3171.100000112.9A230 F231 A237 C238A230-G234 PolarHBondContact O-N 2.92Å; F231-G234 PolarHBondContact O-N 3.43Å; G234-A237 PolarHBondContact O-N 2.91Å; G234-C238 PolarHBondContact O-N 2.93Å; G234-C238 VanDerWaalsContact O-N 3.15Å; G234-C238 PolarHBondContact O-SG 2.79Å
235T88.1Confident85.5Confident10 Ų1042.6 Ų42.66%0.06121%0.21CC..Hα-helixtrans-62.4-48.9175.2-55.90000111.8N206 L207 F231 F232 A237 C238 L239N206-T235 WeakPolarHBondContact CB-OG1 3.36Å; L207-T235 HydrophobicContact CB-CG2 4.29Å; L207-T235 HydrophobicContact CD1-CG2 4.22Å; F231-T235 PolarHBondContact O-N 3.38Å; F231-T235 PolarHBondContact O-OG1 3.32Å; F232-T235 WeakPolarHBondContact O-CB 3.37Å; F232-T235 PolarHBondContact O-N 3.02Å; T235-A237 VanDerWaalsContact C-N 3.31Å; T235-A237 PolarHBondContact O-N 3.4Å; T235-C238 PolarHBondContact O-N 3.34Å; T235-L239 HydrophobicContact CG2-CD1 4.35Å; T235-L239 WeakPolarHBondContact O-CG 3.23Å; T235-L239 PolarHBondContact O-N 3.47Å
236A89.1Confident85.3Confident54 Ų5440.6 Ų40.645%0.44621%0.207SC..Hα-helixtrans-60.4-40.417900000112F232 L233 L239 Y240F232-A236 PolarHBondContact O-N 2.85Å; L233-A236 PolarHBondContact O-N 3.41Å; A236-L239 PolarHBondContact O-N 2.68Å; A236-Y240 WeakPolarHBondContact O-CB 3.2Å; A236-Y240 PolarHBondContact O-N 2.78Å
237A88.8Confident84.6Confident3 Ų342.5 Ų42.53%0.02521%0.208CC..Hα-helixtrans-63.5-40.2176.400000112.5L233 G234 T235 Y240 Q241 T259 L262 I263L233-A237 WeakPolarHBondContact O-CB 3.35Å; L233-A237 PolarHBondContact O-N 3.39Å; G234-A237 PolarHBondContact O-N 2.91Å; T235-A237 VanDerWaalsContact C-N 3.31Å; T235-A237 PolarHBondContact O-N 3.4Å; A237-Y240 PolarHBondContact O-N 3.15Å; A237-Q241 PolarHBondContact O-N 2.66Å; A237-T259 HydrophobicContact CB-CG2 3.82Å; A237-T259 WeakPolarHBondContact O-CG2 3.4Å; A237-L262 HydrophobicContact CB-CD2 4.07Å; A237-L262 HydrophobicContact CB-CG 4.37Å; A237-I263 HydrophobicContact CB-CD1 4.26Å; A237-I263 HydrophobicContact CB-CG1 3.61Å
238C87.6Confident83.8Confident2 Ų245.4 Ų45.41%0.01422%0.22CC..Hα-helixtrans-65.9-42.7176.8-62.10000112S199 C202 G234 T235 Y240 Q241 C242S199-C238 PolarHBondContact OG-O 3.34Å; C202-C238 PolarHBondContact SG-SG 2.87Å; G234-C238 PolarHBondContact O-N 2.93Å; G234-C238 VanDerWaalsContact O-N 3.15Å; G234-C238 PolarHBondContact O-SG 2.79Å; T235-C238 PolarHBondContact O-N 3.34Å; C238-Y240 VanDerWaalsContact C-N 3.31Å; C238-Y240 PolarHBondContact O-N 3.5Å; C238-Q241 PolarHBondContact O-N 3.24Å; C238-C242 PolarHBondContact O-N 2.99Å; C238-C242 PolarHBondContact O-SG 3.09Å; C238-C242 VanDerWaalsContact O-SG 3.37Å
239L86.9Confident83Confident91 Ų9146.1 Ų46.148%0.47623%0.225SC..Hα-helixtrans-65-36.5175.5-67.2177.4000111.9L200 T235 A236 C242 Y243L200-L239 HydrophobicContact CD1-CD2 4.34Å; T235-L239 HydrophobicContact CG2-CD1 4.35Å; T235-L239 WeakPolarHBondContact O-CG 3.23Å; T235-L239 PolarHBondContact O-N 3.47Å; A236-L239 PolarHBondContact O-N 2.68Å; L239-C242 WeakPolarHBondContact O-CB 3.32Å; L239-C242 PolarHBondContact O-N 3.19Å; L239-Y243 PolarHBondContact O-N 3Å
240Y86.7Confident81.6Confident91 Ų9144.4 Ų44.436%0.35723%0.226SC..Hα-helixtrans-68.2-36.7175.5-168.6-105.3000112.3A236 A237 C238 Y243 L244 K255 T259A236-Y240 WeakPolarHBondContact O-CB 3.2Å; A236-Y240 PolarHBondContact O-N 2.78Å; A237-Y240 PolarHBondContact O-N 3.15Å; C238-Y240 VanDerWaalsContact C-N 3.31Å; C238-Y240 PolarHBondContact O-N 3.5Å; Y240-Y243 HydrophobicContact CD2-CD1 4.46Å; Y240-Y243 HydrophobicContact CE2-CD1 4.32Å; Y240-Y243 WeakPolarHBondContact O-CB 3.38Å; Y240-Y243 PolarHBondContact O-N 3.24Å; Y240-L244 HydrophobicContact CD1-CD1 3.87Å; Y240-L244 HydrophobicContact CD1-CG 4.21Å; Y240-L244 HydrophobicContact CE1-CD1 3.63Å; Y240-L244 HydrophobicContact CE1-CD2 4.28Å; Y240-L244 HydrophobicContact CE1-CG 3.98Å; Y240-L244 WeakPolarHBondContact O-CG 3.35Å; Y240-L244 PolarHBondContact O-N 3.21Å; Y240-K255 HydrophobicContact CE1-CB 4.43Å; Y240-T259 HydrophobicContact CD1-CG2 4.01Å; Y240-T259 WeakPolarHBondContact CD1-OG1 3.3Å
241Q85.8Confident80.6Confident1 Ų153.6 Ų53.61%0.00526%0.26CS..Hα-helixtrans-63.4-40.5170.1-74.7-170.6-32.200112.2A237 C238 Y243 L244 L245 T259 I263 G286 V289 T290A237-Q241 PolarHBondContact O-N 2.66Å; C238-Q241 PolarHBondContact O-N 3.24Å; Q241-Y243 VanDerWaalsContact C-N 3.31Å; Q241-Y243 PolarHBondContact O-N 2.94Å; Q241-L244 PolarHBondContact O-N 3.5Å; Q241-L245 PolarHBondContact O-N 3.41Å; Q241-T259 HydrophobicContact CG-CG2 3.64Å; Q241-I263 HydrophobicContact CG-CD1 4.16Å; Q241-G286 PolarHBondContact NE2-O 3.47Å; Q241-V289 HydrophobicContact CB-CG1 3.87Å; Q241-V289 HydrophobicContact CG-CG1 4.48Å; Q241-T290 PolarHBondContact NE2-OG1 2.85Å
242C84.2Confident80Confident10 Ų1054.5 Ų54.57%0.06826%0.263CS..Hα-helixtrans-60.6-41.5172.1-68.50000111.8F196 S199 C238 L239 L245 V246F196-C242 HydrophobicContact CD2-CB 4.08Å; F196-C242 HydrophobicContact CE2-CB 3.85Å; S199-C242 WeakPolarHBondContact CB-SG 3.36Å; S199-C242 PolarHBondContact OG-SG 2.97Å; C238-C242 PolarHBondContact O-N 2.99Å; C238-C242 PolarHBondContact O-SG 3.09Å; C238-C242 VanDerWaalsContact O-SG 3.37Å; L239-C242 WeakPolarHBondContact O-CB 3.32Å; L239-C242 PolarHBondContact O-N 3.19Å; C242-L245 WeakPolarHBondContact O-CB 3.27Å; C242-L245 PolarHBondContact O-N 3.07Å; C242-V246 WeakPolarHBondContact O-CG2 3.24Å; C242-V246 PolarHBondContact O-N 3.38Å; C242-V246 VanDerWaalsContact O-N 3.14Å
243Y83.8Confident79.3Confident104 Ų10453.9 Ų53.941%0.40826%0.263SS..Hα-helixtrans-62.1-45.1175.5176.1-95.3000111.8L239 Y240 Q241 L245 V246 Y247L239-Y243 PolarHBondContact O-N 3Å; Y240-Y243 HydrophobicContact CD2-CD1 4.46Å; Y240-Y243 HydrophobicContact CE2-CD1 4.32Å; Y240-Y243 WeakPolarHBondContact O-CB 3.38Å; Y240-Y243 PolarHBondContact O-N 3.24Å; Q241-Y243 VanDerWaalsContact C-N 3.31Å; Q241-Y243 PolarHBondContact O-N 2.94Å; Y243-L245 VanDerWaalsContact C-N 3.27Å; Y243-L245 PolarHBondContact O-N 3.19Å; Y243-V246 PolarHBondContact O-N 3.15Å; Y243-V246 VanDerWaalsContact O-N 3.1Å; Y243-Y247 AromaticContact CD2-CD2 3.48Å; Y243-Y247 HydrophobicContact CD2-CD2 3.48Å; Y243-Y247 VanDerWaalsContact CD2-CD2 3.48Å; Y243-Y247 HydrophobicContact CD2-CE2 4.05Å; Y243-Y247 HydrophobicContact CD2-CG 4.25Å; Y243-Y247 AromaticContact CE2-CD2 3.39Å; Y243-Y247 HydrophobicContact CE2-CD2 3.39Å; Y243-Y247 AromaticContact CE2-CE2 3.97Å; Y243-Y247 HydrophobicContact CE2-CE2 3.97Å; Y243-Y247 AromaticContact CE2-CG 3.78Å; Y243-Y247 HydrophobicContact CE2-CG 3.78Å; Y243-Y247 HydrophobicContact CG-CD2 4.31Å; Y243-Y247 PolarHBondContact O-N 3.48Å
244L82.6Confident78.9Confident0 Ų054.8 Ų54.80%027%0.272CS..Hα-helixtrans-66.6-26.3176.4-68.9177.5000113.4Y240 Q241 R252 K255 I293Y240-L244 HydrophobicContact CD1-CD1 3.87Å; Y240-L244 HydrophobicContact CD1-CG 4.21Å; Y240-L244 HydrophobicContact CE1-CD1 3.63Å; Y240-L244 HydrophobicContact CE1-CD2 4.28Å; Y240-L244 HydrophobicContact CE1-CG 3.98Å; Y240-L244 WeakPolarHBondContact O-CG 3.35Å; Y240-L244 PolarHBondContact O-N 3.21Å; Q241-L244 PolarHBondContact O-N 3.5Å; L244-R252 HydrophobicContact CD2-CG 4.46Å; L244-K255 HydrophobicContact CD1-CB 3.95Å; L244-K255 HydrophobicContact CD2-CB 4.31Å; L244-I293 HydrophobicContact CB-CD1 4.07Å
245L77.5Confident78.8Confident6 Ų658.1 Ų58.13%0.03129%0.285CS..Hα-helixtrans-69.2-36.7170.2-84.3172.1000111.7L185 F196 Q241 C242 Y243 V289 Q292 I293 R296L185-L245 WeakPolarHBondContact CD1-O 3.46Å; F196-L245 HydrophobicContact CB-CD1 4.34Å; Q241-L245 PolarHBondContact O-N 3.41Å; C242-L245 WeakPolarHBondContact O-CB 3.27Å; C242-L245 PolarHBondContact O-N 3.07Å; Y243-L245 VanDerWaalsContact C-N 3.27Å; Y243-L245 PolarHBondContact O-N 3.19Å; L245-V289 HydrophobicContact CD1-CG1 3.64Å; L245-V289 HydrophobicContact CD1-CG2 4.49Å; L245-V289 HydrophobicContact CG-CG1 4.01Å; L245-Q292 HydrophobicContact CD2-CB 4.22Å; L245-I293 HydrophobicContact CD2-CD1 4.32Å; L245-I293 HydrophobicContact CD2-CG1 3.51Å; L245-I293 HydrophobicContact CG-CD1 4.04Å; L245-I293 HydrophobicContact CG-CG1 3.75Å; L245-R296 PolarHBondContact O-NH1 3.33Å
246V74.9Confident78.7Confident76 Ų7657.7 Ų57.746%0.46128%0.283SS..Hα-helixtrans-92.6-34.2-172.81770000112.6L185 F196 C242 Y243L185-V246 WeakPolarHBondContact CD1-O 3.47Å; F196-V246 HydrophobicContact CD2-CG2 4.23Å; F196-V246 HydrophobicContact CE2-CG2 3.93Å; C242-V246 WeakPolarHBondContact O-CG2 3.24Å; C242-V246 PolarHBondContact O-N 3.38Å; C242-V246 VanDerWaalsContact O-N 3.14Å; Y243-V246 PolarHBondContact O-N 3.15Å; Y243-V246 VanDerWaalsContact O-N 3.1Å
247Y69.4Low78.5Confident132 Ų13260.6 Ų60.652%0.51829%0.286SS..SBendtrans-113.2137-172.3-71.1-83.1000112.8Y243Y243-Y247 AromaticContact CD2-CD2 3.48Å; Y243-Y247 HydrophobicContact CD2-CD2 3.48Å; Y243-Y247 VanDerWaalsContact CD2-CD2 3.48Å; Y243-Y247 HydrophobicContact CD2-CE2 4.05Å; Y243-Y247 HydrophobicContact CD2-CG 4.25Å; Y243-Y247 AromaticContact CE2-CD2 3.39Å; Y243-Y247 HydrophobicContact CE2-CD2 3.39Å; Y243-Y247 AromaticContact CE2-CE2 3.97Å; Y243-Y247 HydrophobicContact CE2-CE2 3.97Å; Y243-Y247 AromaticContact CE2-CG 3.78Å; Y243-Y247 HydrophobicContact CE2-CG 3.78Å; Y243-Y247 HydrophobicContact CG-CD2 4.31Å; Y243-Y247 PolarHBondContact O-N 3.48Å
248Y65.1Low78.5Confident119 Ų11966.9 Ų66.947%0.46732%0.318SS..  trans-73.5131.5172.5179.9-99.6000110.7
249T68.5Low78.6Confident26 Ų2667.3 Ų67.316%0.1632%0.321CS..  trans-140.6136.1176.8-95.80000109.2W251 R252 K255T249-W251 PolarHBondContact O-N 3.01Å; T249-R252 WeakPolarHBondContact O-CB 3.4Å; T249-R252 PolarHBondContact O-N 3.37Å; T249-R252 VanDerWaalsContact O-N 3.13Å; T249-K255 HydrophobicContact CG2-CD 3.56Å
250G55.7Low78.7Confident43 Ų4365.1 Ų65.144%0.44331%0.307SS..THydrogen-bonded Turntrans-57126.6167.800000109
251W65.9Low78.8Confident200 Ų20062.6 Ų62.676%0.75831%0.309SS*.THydrogen-bonded Turntrans78.824.2-177-51.744.2000115.5T249 N253 V254 K255T249-W251 PolarHBondContact O-N 3.01Å; W251-N253 VanDerWaalsContact C-N 3.26Å; W251-N253 PolarHBondContact O-N 3.29Å; W251-N253 VanDerWaalsContact O-N 3.14Å; W251-V254 HydrophobicContact CE3-CG2 4.44Å; W251-V254 PolarHBondContact O-N 3.02Å; W251-V254 VanDerWaalsContact O-N 3.15Å; W251-K255 WeakPolarHBondContact O-CG 3.32Å; W251-K255 PolarHBondContact O-N 2.88Å
252R73.8Confident79.1Confident27 Ų2765.5 Ų65.510%0.10233%0.325CS..Hα-helixtrans-45.6-44.6179.4-169.4-173.265.6-170.9-3114.1L244 T249 K255 S256 I293 R296L244-R252 HydrophobicContact CD2-CG 4.46Å; T249-R252 WeakPolarHBondContact O-CB 3.4Å; T249-R252 PolarHBondContact O-N 3.37Å; T249-R252 VanDerWaalsContact O-N 3.13Å; R252-K255 PolarHBondContact O-N 3.14Å; R252-S256 WeakPolarHBondContact O-CB 3.37Å; R252-S256 PolarHBondContact O-N 3.47Å; R252-I293 HydrophobicContact CG-CG2 3.61Å; R252-I293 PolarHBondContact NE-O 3.31Å; R252-I293 PolarHBondContact NH2-O 3.08Å; R252-R296 PolarHBondContact NH1-O 3.25Å; R252-R296 PolarHBondContact NH2-O 2.88Å
253N73.8Confident79.3Confident62 Ų6265.1 Ų65.133%0.33232%0.322SS..Hα-helixtrans-67-47-177.3-62.8-13.4000111.6W251 K255 S256 F257W251-N253 VanDerWaalsContact C-N 3.26Å; W251-N253 PolarHBondContact O-N 3.29Å; W251-N253 VanDerWaalsContact O-N 3.14Å; N253-K255 VanDerWaalsContact C-N 3.34Å; N253-K255 PolarHBondContact O-N 3.2Å; N253-S256 PolarHBondContact O-N 3.04Å; N253-F257 WeakPolarHBondContact O-CD2 3.25Å; N253-F257 PolarHBondContact O-N 3.28Å
254V82.3Confident79.5Confident91 Ų9161.7 Ų61.755%0.55231%0.313SS*.Hα-helixtrans-61.8-44.1177.7179.70000110.6W251 S256 F257 L258W251-V254 HydrophobicContact CE3-CG2 4.44Å; W251-V254 PolarHBondContact O-N 3.02Å; W251-V254 VanDerWaalsContact O-N 3.15Å; V254-S256 VanDerWaalsContact C-N 3.35Å; V254-S256 PolarHBondContact O-N 3.46Å; V254-F257 PolarHBondContact O-N 3.47Å; V254-L258 WeakPolarHBondContact O-CB 3.29Å; V254-L258 PolarHBondContact O-N 2.92Å
255K83.9Confident79.8Confident72 Ų7267.2 Ų67.231%0.31334%0.341SS..Hα-helixtrans-62.5-41.9176.8-67.8178.5-179.5-174.20111.5Y240 L244 T249 W251 R252 N253 L258 T259Y240-K255 HydrophobicContact CE1-CB 4.43Å; L244-K255 HydrophobicContact CD1-CB 3.95Å; L244-K255 HydrophobicContact CD2-CB 4.31Å; T249-K255 HydrophobicContact CG2-CD 3.56Å; W251-K255 WeakPolarHBondContact O-CG 3.32Å; W251-K255 PolarHBondContact O-N 2.88Å; R252-K255 PolarHBondContact O-N 3.14Å; N253-K255 VanDerWaalsContact C-N 3.34Å; N253-K255 PolarHBondContact O-N 3.2Å; K255-L258 PolarHBondContact O-N 3.11Å; K255-T259 PolarHBondContact O-N 3Å; K255-T259 PolarHBondContact O-OG1 3.3Å
256S85.7Confident80.2Confident1 Ų167.1 Ų67.11%0.00734%0.341CS..Hα-helixtrans-63.1-43.3176.9-168.80000112.8R252 N253 V254 T259 F260 I293R252-S256 WeakPolarHBondContact O-CB 3.37Å; R252-S256 PolarHBondContact O-N 3.47Å; N253-S256 PolarHBondContact O-N 3.04Å; V254-S256 VanDerWaalsContact C-N 3.35Å; V254-S256 PolarHBondContact O-N 3.46Å; S256-T259 PolarHBondContact O-N 3.43Å; S256-F260 WeakPolarHBondContact O-CB 3.32Å; S256-F260 PolarHBondContact O-N 3.33Å; S256-I293 WeakPolarHBondContact OG-CD1 3.28Å
257F86.3Confident80.7Confident116 Ų11663.6 Ų63.651%0.50932%0.32SS..Hα-helixtrans-64.5-41.6176.2-84.3-70000112N253 V254 T259 F260 G261 T290N253-F257 WeakPolarHBondContact O-CD2 3.25Å; N253-F257 PolarHBondContact O-N 3.28Å; V254-F257 PolarHBondContact O-N 3.47Å; F257-T259 VanDerWaalsContact C-N 3.34Å; F257-T259 PolarHBondContact O-N 3.08Å; F257-F260 PolarHBondContact O-N 3.4Å; F257-G261 PolarHBondContact O-N 3.19Å; F257-T290 HydrophobicContact CD1-CG2 4.07Å; F257-T290 HydrophobicContact CE1-CG2 4.08Å; F257-T290 HydrophobicContact CG-CG2 4.37Å; F257-T290 HydrophobicContact CZ-CG2 4.38Å
258L89.1Confident81.5Confident135 Ų13564 Ų6471%0.70733%0.328SS*.Hα-helixtrans-61.7-43.7175.8-174.168.8000111.4V254 K255 G261 L262V254-L258 WeakPolarHBondContact O-CB 3.29Å; V254-L258 PolarHBondContact O-N 2.92Å; K255-L258 PolarHBondContact O-N 3.11Å; L258-G261 PolarHBondContact O-N 2.84Å; L258-L262 PolarHBondContact O-N 3.5Å
259T88.1Confident82.5Confident10 Ų1063.5 Ų63.56%0.06133%0.326CS..Hα-helixtrans-68-36177.8-50.10000112.3A237 Y240 Q241 K255 S256 F257 L262 I263A237-T259 HydrophobicContact CB-CG2 3.82Å; A237-T259 WeakPolarHBondContact O-CG2 3.4Å; Y240-T259 HydrophobicContact CD1-CG2 4.01Å; Y240-T259 WeakPolarHBondContact CD1-OG1 3.3Å; Q241-T259 HydrophobicContact CG-CG2 3.64Å; K255-T259 PolarHBondContact O-N 3Å; K255-T259 PolarHBondContact O-OG1 3.3Å; S256-T259 PolarHBondContact O-N 3.43Å; F257-T259 VanDerWaalsContact C-N 3.34Å; F257-T259 PolarHBondContact O-N 3.08Å; T259-L262 WeakPolarHBondContact O-CB 3.44Å; T259-L262 PolarHBondContact O-N 3.05Å; T259-I263 WeakPolarHBondContact O-CG1 3.39Å; T259-I263 PolarHBondContact O-N 2.9Å
260F90.8Very high83.2Confident45 Ų4562.4 Ų62.420%0.19732%0.319CS..Hα-helixtrans-62.6-44.8172.4177.3-116.2000112S256 F257 L262 I263 C264 V283 A287 T290S256-F260 WeakPolarHBondContact O-CB 3.32Å; S256-F260 PolarHBondContact O-N 3.33Å; F257-F260 PolarHBondContact O-N 3.4Å; F260-L262 VanDerWaalsContact C-N 3.26Å; F260-L262 PolarHBondContact O-N 3.43Å; F260-I263 WeakPolarHBondContact O-CB 3.46Å; F260-I263 PolarHBondContact O-N 3.13Å; F260-I263 VanDerWaalsContact O-N 3.11Å; F260-C264 VanDerWaalsContact CZ-SG 3.56Å; F260-C264 PolarHBondContact O-N 3.44Å; F260-V283 HydrophobicContact CE2-CG1 4.49Å; F260-V283 HydrophobicContact CZ-CG1 4.35Å; F260-A287 HydrophobicContact CE2-CB 3.75Å; F260-A287 HydrophobicContact CZ-CB 3.78Å; F260-T290 HydrophobicContact CB-CG2 4.5Å; F260-T290 WeakPolarHBondContact CB-OG1 3.49Å
261G88.4Confident84.4Confident39 Ų3967.1 Ų67.140%0.40233%0.325SS..Hα-helixtrans-57.3-40.8173.800000112.4F257 L258 C264 L265F257-G261 PolarHBondContact O-N 3.19Å; L258-G261 PolarHBondContact O-N 2.84Å; G261-C264 PolarHBondContact O-N 2.93Å; G261-L265 WeakPolarHBondContact O-CB 3.45Å; G261-L265 PolarHBondContact O-N 3.02Å
262L90.6Very high85Confident62 Ų6263.6 Ų63.633%0.32532%0.317SS..Hα-helixtrans-63.8-41.6174.9-174.162.3000112.4L233 A237 L258 T259 F260 L265 C266L233-L262 HydrophobicContact CD1-CD2 4.2Å; L233-L262 HydrophobicContact CD2-CD1 4.01Å; L233-L262 HydrophobicContact CG-CD1 4.22Å; L233-L262 HydrophobicContact CG-CD2 4.36Å; L233-L262 HydrophobicContact CG-CG 4.46Å; A237-L262 HydrophobicContact CB-CD2 4.07Å; A237-L262 HydrophobicContact CB-CG 4.37Å; L258-L262 PolarHBondContact O-N 3.5Å; T259-L262 WeakPolarHBondContact O-CB 3.44Å; T259-L262 PolarHBondContact O-N 3.05Å; F260-L262 VanDerWaalsContact C-N 3.26Å; F260-L262 PolarHBondContact O-N 3.43Å; L262-L265 PolarHBondContact O-N 3.45Å; L262-C266 PolarHBondContact O-N 3.23Å; L262-C266 PolarHBondContact O-SG 3.03Å
263I88.8Confident85.1Confident1 Ų166.7 Ų66.71%0.00534%0.335CS..Hα-helixtrans-61-45.9174.9-69.1168.9000110.4A237 Q241 T259 F260 L265 C266 N267A237-I263 HydrophobicContact CB-CD1 4.26Å; A237-I263 HydrophobicContact CB-CG1 3.61Å; Q241-I263 HydrophobicContact CG-CD1 4.16Å; T259-I263 WeakPolarHBondContact O-CG1 3.39Å; T259-I263 PolarHBondContact O-N 2.9Å; F260-I263 WeakPolarHBondContact O-CB 3.46Å; F260-I263 PolarHBondContact O-N 3.13Å; F260-I263 VanDerWaalsContact O-N 3.11Å; I263-L265 VanDerWaalsContact C-N 3.34Å; I263-L265 PolarHBondContact O-N 2.99Å; I263-C266 PolarHBondContact O-N 3.32Å; I263-N267 WeakPolarHBondContact CG2-ND2 3.4Å; I263-N267 VanDerWaalsContact O-CB 3.25Å; I263-N267 WeakPolarHBondContact O-CB 3.4Å; I263-N267 PolarHBondContact O-N 2.97Å; I263-N267 PolarHBondContact O-ND2 3.37Å
264C88.4Confident85.3Confident32 Ų3264.5 Ų64.522%0.21632%0.322CS..Hα-helixtrans-60.7-43176.8-70.40000112F260 G261 N267 M268F260-C264 VanDerWaalsContact CZ-SG 3.56Å; F260-C264 PolarHBondContact O-N 3.44Å; G261-C264 PolarHBondContact O-N 2.93Å; C264-N267 PolarHBondContact O-N 3.37Å; C264-M268 WeakPolarHBondContact O-CB 3.41Å; C264-M268 WeakPolarHBondContact O-CG 3.5Å; C264-M268 PolarHBondContact O-N 2.87Å
265L88.9Confident85.4Confident116 Ų11664.5 Ų64.561%0.60732%0.319SS*.Hα-helixtrans-65.8-45.4-179.7-171.1141.5000112.1G261 L262 I263 N267 M268 Y269G261-L265 WeakPolarHBondContact O-CB 3.45Å; G261-L265 PolarHBondContact O-N 3.02Å; L262-L265 PolarHBondContact O-N 3.45Å; I263-L265 VanDerWaalsContact C-N 3.34Å; I263-L265 PolarHBondContact O-N 2.99Å; L265-N267 VanDerWaalsContact C-N 3.27Å; L265-N267 PolarHBondContact O-N 2.99Å; L265-M268 PolarHBondContact O-N 2.86Å; L265-Y269 WeakPolarHBondContact O-CB 3.5Å; L265-Y269 PolarHBondContact O-N 2.9Å
266C86.3Confident85.2Confident4 Ų467.7 Ų67.73%0.02734%0.339CS..Hα-helixtrans-61.4-38.1174.3-65.30000111.9L262 I263 Y269 L270L262-C266 PolarHBondContact O-N 3.23Å; L262-C266 PolarHBondContact O-SG 3.03Å; I263-C266 PolarHBondContact O-N 3.32Å; C266-Y269 PolarHBondContact O-N 3.43Å; C266-L270 WeakPolarHBondContact O-CB 3.47Å; C266-L270 WeakPolarHBondContact O-CD1 3.45Å; C266-L270 VanDerWaalsContact O-CG 3.3Å; C266-L270 WeakPolarHBondContact O-CG 3.5Å; C266-L270 PolarHBondContact O-N 3.01Å; C266-L270 VanDerWaalsContact O-N 3.15Å
267N85.3Confident85.1Confident3 Ų377.4 Ų77.42%0.01638%0.375CS..Hα-helixtrans-70.9-38.5178.9-90.1-79.6000112.8I263 C264 L265 L270 Y271 R274 L279 H282I263-N267 WeakPolarHBondContact CG2-ND2 3.4Å; I263-N267 VanDerWaalsContact O-CB 3.25Å; I263-N267 WeakPolarHBondContact O-CB 3.4Å; I263-N267 PolarHBondContact O-N 2.97Å; I263-N267 PolarHBondContact O-ND2 3.37Å; C264-N267 PolarHBondContact O-N 3.37Å; L265-N267 VanDerWaalsContact C-N 3.27Å; L265-N267 PolarHBondContact O-N 2.99Å; N267-L270 CarbonylContact O-C 3.55Å; N267-L270 PolarHBondContact O-N 3.45Å; N267-Y271 PolarHBondContact O-N 3.35Å; N267-R274 PolarHBondContact OD1-NH1 3.4Å; N267-L279 HydrophobicContact CB-CD1 3.59Å; N267-L279 VanDerWaalsContact O-CD1 3.32Å; N267-L279 WeakPolarHBondContact O-CD1 3.45Å; N267-H282 WeakPolarHBondContact OD1-CB 3.25Å
268M85.9Confident84.8Confident139 Ų13974.9 Ų74.969%0.68537%0.365SS*.Hα-helixtrans-65.5-38.4172.3-77.8-148.571.500112C264 L265 L270 Y271C264-M268 WeakPolarHBondContact O-CB 3.41Å; C264-M268 WeakPolarHBondContact O-CG 3.5Å; C264-M268 PolarHBondContact O-N 2.87Å; L265-M268 PolarHBondContact O-N 2.86Å; M268-L270 PolarHBondContact O-N 3.01Å; M268-Y271 WeakPolarHBondContact O-CB 3.32Å; M268-Y271 VanDerWaalsContact O-CD1 3.29Å; M268-Y271 WeakPolarHBondContact O-CD1 3.38Å; M268-Y271 PolarHBondContact O-N 3.07Å
269Y85.8Confident84.5Confident110 Ų11070.4 Ų70.443%0.43134%0.341SS..Hα-helixtrans-66-30.2176.3-167.9-102.5000112.4N226 Y227 A230 L265 C266 Y271N226-Y269 HydrophobicContact CB-CE1 4.1Å; N226-Y269 VanDerWaalsContact CB-OH 3.27Å; N226-Y269 WeakPolarHBondContact CB-OH 3.46Å; Y227-Y269 HydrophobicContact CD1-CD1 4.25Å; Y227-Y269 AromaticContact CD1-CE1 3.87Å; Y227-Y269 HydrophobicContact CD1-CE1 3.87Å; Y227-Y269 HydrophobicContact CE1-CE1 4.06Å; A230-Y269 HydrophobicContact CB-CD1 3.69Å; A230-Y269 HydrophobicContact CB-CE1 4.33Å; L265-Y269 WeakPolarHBondContact O-CB 3.5Å; L265-Y269 PolarHBondContact O-N 2.9Å; C266-Y269 PolarHBondContact O-N 3.43Å; Y269-Y271 VanDerWaalsContact C-N 3.35Å
270L82.5Confident84.4Confident2 Ų276.5 Ų76.51%0.0137%0.367CS..THydrogen-bonded Turntrans-93.619.1178.8-67.2168000113.4Y227 A230 F231 C266 N267 M268 E272 L273 R274Y227-L270 HydrophobicContact CD1-CD2 3.96Å; A230-L270 HydrophobicContact CB-CD1 4.03Å; A230-L270 HydrophobicContact CB-CD2 4.07Å; A230-L270 HydrophobicContact CB-CG 3.93Å; F231-L270 HydrophobicContact CD1-CD1 3.7Å; F231-L270 HydrophobicContact CD2-CD1 4.45Å; F231-L270 HydrophobicContact CD2-CD2 4.02Å; F231-L270 HydrophobicContact CE1-CD1 3.73Å; F231-L270 HydrophobicContact CE1-CD2 4.19Å; F231-L270 HydrophobicContact CE2-CD1 4.46Å; F231-L270 HydrophobicContact CE2-CD2 3.6Å; F231-L270 HydrophobicContact CG-CD1 4.06Å; F231-L270 HydrophobicContact CG-CD2 4.45Å; F231-L270 HydrophobicContact CZ-CD1 4.11Å; F231-L270 HydrophobicContact CZ-CD2 3.69Å; F231-L270 HydrophobicContact CZ-CG 4.45Å; C266-L270 WeakPolarHBondContact O-CB 3.47Å; C266-L270 WeakPolarHBondContact O-CD1 3.45Å; C266-L270 VanDerWaalsContact O-CG 3.3Å; C266-L270 WeakPolarHBondContact O-CG 3.5Å; C266-L270 PolarHBondContact O-N 3.01Å; C266-L270 VanDerWaalsContact O-N 3.15Å; N267-L270 CarbonylContact O-C 3.55Å; N267-L270 PolarHBondContact O-N 3.45Å; M268-L270 PolarHBondContact O-N 3.01Å; L270-E272 VanDerWaalsContact C-N 3.3Å; L270-E272 PolarHBondContact O-N 2.96Å; L270-L273 HydrophobicContact CD2-CD1 3.97Å; L270-L273 PolarHBondContact O-N 3.33Å; L270-R274 HydrophobicContact CB-CG 4.34Å; L270-R274 WeakPolarHBondContact O-CB 3.13Å; L270-R274 WeakPolarHBondContact O-CG 3.43Å; L270-R274 PolarHBondContact O-N 3.24Å
271Y81.8Confident84.3Confident142 Ų14277.6 Ų77.656%0.55737%0.372SS*.THydrogen-bonded Turntrans-63.4-33.4-173.185.8-83.2000113.3N267 M268 Y269 L273N267-Y271 PolarHBondContact O-N 3.35Å; M268-Y271 WeakPolarHBondContact O-CB 3.32Å; M268-Y271 VanDerWaalsContact O-CD1 3.29Å; M268-Y271 WeakPolarHBondContact O-CD1 3.38Å; M268-Y271 PolarHBondContact O-N 3.07Å; Y269-Y271 VanDerWaalsContact C-N 3.35Å; Y271-L273 VanDerWaalsContact C-N 3.33Å
272E78.9Confident84.2Confident127 Ų12775.9 Ų75.959%0.59335%0.354SS*.THydrogen-bonded Turntrans-72.6-28.9-179.9-60.1-173176.800112.3L270L270-E272 VanDerWaalsContact C-N 3.3Å; L270-E272 PolarHBondContact O-N 2.96Å
273L75.6Confident84.2Confident91 Ų9175 Ų7548%0.47635%0.351SS..THydrogen-bonded Turntrans-93.4-4.1-176.9-72.3152.2000112.9Y227 L270 Y271Y227-L273 HydrophobicContact CD1-CD1 3.42Å; Y227-L273 VanDerWaalsContact CD1-CD1 3.42Å; Y227-L273 HydrophobicContact CD2-CD1 4Å; Y227-L273 HydrophobicContact CE1-CD1 3.87Å; Y227-L273 HydrophobicContact CE2-CD1 4.42Å; Y227-L273 HydrophobicContact CG-CD1 3.49Å; Y227-L273 VanDerWaalsContact CG-CD1 3.49Å; L270-L273 HydrophobicContact CD2-CD1 3.97Å; L270-L273 PolarHBondContact O-N 3.33Å; Y271-L273 VanDerWaalsContact C-N 3.33Å
274R78.2Confident84.1Confident17 Ų1778 Ų786%0.06437%0.37CS..SBendtrans-122.6137.8-174.3-71.5-179.7179.2-133.8-15.3111.7N206 N267 L270 H282N206-R274 PolarHBondContact OD1-NH1 3.23Å; N206-R274 PolarHBondContact OD1-NH2 3Å; N267-R274 PolarHBondContact OD1-NH1 3.4Å; L270-R274 HydrophobicContact CB-CG 4.34Å; L270-R274 WeakPolarHBondContact O-CB 3.13Å; L270-R274 WeakPolarHBondContact O-CG 3.43Å; L270-R274 PolarHBondContact O-N 3.24Å; R274-H282 PolarHBondContact NH1-CD2 3.45Å; R274-H282 PolarHBondContact NH1-NE2 3.25Å
275N83.3Confident84.1Confident91 Ų9176.8 Ų76.849%0.48736%0.361SS..  trans-65.5142.4167.6-169.4-27.5000109.6W277 Q278 L279N275-W277 PolarHBondContact O-N 3.48Å; N275-W277 VanDerWaalsContact O-N 3.13Å; N275-W277 PolarHBondContact OD1-N 3.35Å; N275-Q278 HydrophobicContact CB-CG 4.2Å; N275-Q278 WeakPolarHBondContact O-CA 3.45Å; N275-Q278 WeakPolarHBondContact O-CB 3.45Å; N275-Q278 PolarHBondContact O-N 3.21Å; N275-L279 PolarHBondContact O-N 3.29Å
276L81.3Confident84Confident139 Ų13971.3 Ų71.373%0.72833%0.333SS*.Hα-helixtrans-49.6-38.8176.1-72.5167.8000112.6Q278 L279 F280L276-Q278 VanDerWaalsContact C-N 3.33Å; L276-Q278 PolarHBondContact O-N 2.95Å; L276-L279 WeakPolarHBondContact O-CB 3.43Å; L276-L279 PolarHBondContact O-N 3.35Å; L276-F280 WeakPolarHBondContact O-CB 3.39Å; L276-F280 PolarHBondContact O-N 2.99Å
277W82.3Confident84.1Confident204 Ų20473 Ų7377%0.77335%0.347SS*.Hα-helixtrans-64.3-35.6176.2-72.4106.8000113.4N275 F281N275-W277 PolarHBondContact O-N 3.48Å; N275-W277 VanDerWaalsContact O-N 3.13Å; N275-W277 PolarHBondContact OD1-N 3.35Å; W277-F281 VanDerWaalsContact O-CB 3.32Å; W277-F281 WeakPolarHBondContact O-CB 3.24Å; W277-F281 PolarHBondContact O-N 3.47Å
278Q81Confident84.3Confident63 Ų6376.1 Ų76.129%0.29436%0.361SS..Hα-helixtrans-74.7-41.2177.5-64.7168.4-1.900110.5N275 L276 F280 F281 H282N275-Q278 HydrophobicContact CB-CG 4.2Å; N275-Q278 WeakPolarHBondContact O-CA 3.45Å; N275-Q278 WeakPolarHBondContact O-CB 3.45Å; N275-Q278 PolarHBondContact O-N 3.21Å; L276-Q278 VanDerWaalsContact C-N 3.33Å; L276-Q278 PolarHBondContact O-N 2.95Å; Q278-F280 VanDerWaalsContact C-N 3.32Å; Q278-F280 PolarHBondContact O-N 3.49Å; Q278-F281 WeakPolarHBondContact O-CB 3.3Å; Q278-F281 PolarHBondContact O-N 3.21Å; Q278-H282 PolarHBondContact O-CD2 3Å; Q278-H282 PolarHBondContact O-N 2.68Å
279L82.9Confident84.2Confident41 Ų4169.5 Ų69.522%0.21533%0.328CS..Hα-helixtrans-55.9-50.1173.6-17671.3000110.7N267 N275 L276 F281 H282 V283N267-L279 HydrophobicContact CB-CD1 3.59Å; N267-L279 VanDerWaalsContact O-CD1 3.32Å; N267-L279 WeakPolarHBondContact O-CD1 3.45Å; N275-L279 PolarHBondContact O-N 3.29Å; L276-L279 WeakPolarHBondContact O-CB 3.43Å; L276-L279 PolarHBondContact O-N 3.35Å; L279-F281 VanDerWaalsContact C-N 3.33Å; L279-F281 PolarHBondContact O-N 3.39Å; L279-H282 PolarHBondContact O-N 2.96Å; L279-V283 WeakPolarHBondContact O-CG2 3.31Å; L279-V283 PolarHBondContact O-N 3.43Å
280F86.4Confident84.2Confident138 Ų13864.5 Ų64.561%0.60531%0.309SS*.Hα-helixtrans-61.7-41.3177.9-169.5-98.1000112L276 Q278 T284L276-F280 WeakPolarHBondContact O-CB 3.39Å; L276-F280 PolarHBondContact O-N 2.99Å; Q278-F280 VanDerWaalsContact C-N 3.32Å; Q278-F280 PolarHBondContact O-N 3.49Å; F280-T284 WeakPolarHBondContact CE1-OG1 3.48Å; F280-T284 WeakPolarHBondContact O-CB 3.46Å; F280-T284 PolarHBondContact O-N 3.01Å; F280-T284 PolarHBondContact O-OG1 3.32Å
281F87.8Confident84.3Confident69 Ų6968.3 Ų68.330%0.30333%0.329SS..Hα-helixtrans-58-54.9174.4178.2-101000111.3L198 L201 L205 W277 Q278 L279 V283 T284 V285L198-F281 HydrophobicContact CD1-CE2 3.84Å; L198-F281 HydrophobicContact CD1-CZ 3.57Å; L198-F281 HydrophobicContact CG-CZ 4.29Å; L201-F281 HydrophobicContact CD2-CZ 4.34Å; L205-F281 HydrophobicContact CD1-CE1 4.42Å; W277-F281 VanDerWaalsContact O-CB 3.32Å; W277-F281 WeakPolarHBondContact O-CB 3.24Å; W277-F281 PolarHBondContact O-N 3.47Å; Q278-F281 WeakPolarHBondContact O-CB 3.3Å; Q278-F281 PolarHBondContact O-N 3.21Å; L279-F281 VanDerWaalsContact C-N 3.33Å; L279-F281 PolarHBondContact O-N 3.39Å; F281-V283 VanDerWaalsContact C-N 3.34Å; F281-V283 PolarHBondContact O-N 2.97Å; F281-T284 PolarHBondContact O-N 3.14Å; F281-V285 HydrophobicContact CD1-CG2 4.44Å; F281-V285 HydrophobicContact CD2-CG2 4.24Å; F281-V285 HydrophobicContact CE1-CG2 4.25Å; F281-V285 HydrophobicContact CE2-CG2 4.05Å; F281-V285 HydrophobicContact CG-CG2 4.44Å; F281-V285 HydrophobicContact CZ-CG2 4.06Å; F281-V285 WeakPolarHBondContact O-CB 3.41Å; F281-V285 WeakPolarHBondContact O-CG2 3.34Å; F281-V285 PolarHBondContact O-N 2.85Å
282H86.8Confident84.4Confident2 Ų262.6 Ų62.61%0.00931%0.307CS..Hα-helixtrans-60.4-40.1-178.5-76.2-77000113.1C202 N206 N267 R274 Q278 L279 G286C202-H282 PolarHBondContact SG-ND1 3.12Å; N206-H282 PolarHBondContact OD1-CE1 3.33Å; N267-H282 WeakPolarHBondContact OD1-CB 3.25Å; R274-H282 PolarHBondContact NH1-CD2 3.45Å; R274-H282 PolarHBondContact NH1-NE2 3.25Å; Q278-H282 PolarHBondContact O-CD2 3Å; Q278-H282 PolarHBondContact O-N 2.68Å; L279-H282 PolarHBondContact O-N 2.96Å; H282-G286 PolarHBondContact O-N 3.39Å; H282-G286 VanDerWaalsContact O-N 3.09Å
283V89.2Confident84.3Confident44 Ų4456.7 Ų56.727%0.26728%0.28SS..Hα-helixtrans-69.9-44.1177.5174.10000111.4F260 L279 F281 V285 G286 A287F260-V283 HydrophobicContact CE2-CG1 4.49Å; F260-V283 HydrophobicContact CZ-CG1 4.35Å; L279-V283 WeakPolarHBondContact O-CG2 3.31Å; L279-V283 PolarHBondContact O-N 3.43Å; F281-V283 VanDerWaalsContact C-N 3.34Å; F281-V283 PolarHBondContact O-N 2.97Å; V283-V285 VanDerWaalsContact C-N 3.32Å; V283-V285 PolarHBondContact O-N 2.96Å; V283-G286 PolarHBondContact O-N 3.47Å; V283-A287 WeakPolarHBondContact O-CB 3.05Å; V283-A287 PolarHBondContact O-N 3.25Å
284T87.6Confident84.5Confident65 Ų6559.1 Ų59.140%0.39928%0.283SS..Hα-helixtrans-63.6-40179.4-58.40000111.2F280 F281 A287 F288F280-T284 WeakPolarHBondContact CE1-OG1 3.48Å; F280-T284 WeakPolarHBondContact O-CB 3.46Å; F280-T284 PolarHBondContact O-N 3.01Å; F280-T284 PolarHBondContact O-OG1 3.32Å; F281-T284 PolarHBondContact O-N 3.14Å; T284-A287 PolarHBondContact O-N 2.94Å; T284-F288 VanDerWaalsContact O-CB 3.24Å; T284-F288 WeakPolarHBondContact O-CB 3.5Å; T284-F288 PolarHBondContact O-N 2.93Å
285V89.1Confident84.1Confident5 Ų562.7 Ų62.73%0.0330%0.303CS..Hα-helixtrans-65.3-46.5176.5175.50000111.2L198 C202 F281 V283 A287 F288 V289L198-V285 HydrophobicContact CB-CG1 4.1Å; L198-V285 HydrophobicContact CD1-CG2 4.29Å; L198-V285 HydrophobicContact CD2-CB 4.37Å; L198-V285 HydrophobicContact CD2-CG1 4.19Å; L198-V285 HydrophobicContact CD2-CG2 3.48Å; L198-V285 VanDerWaalsContact CD2-CG2 3.48Å; L198-V285 HydrophobicContact CG-CB 4.28Å; L198-V285 HydrophobicContact CG-CG1 3.78Å; L198-V285 HydrophobicContact CG-CG2 3.47Å; L198-V285 VanDerWaalsContact CG-CG2 3.47Å; C202-V285 HydrophobicContact CB-CG1 4.4Å; F281-V285 HydrophobicContact CD1-CG2 4.44Å; F281-V285 HydrophobicContact CD2-CG2 4.24Å; F281-V285 HydrophobicContact CE1-CG2 4.25Å; F281-V285 HydrophobicContact CE2-CG2 4.05Å; F281-V285 HydrophobicContact CG-CG2 4.44Å; F281-V285 HydrophobicContact CZ-CG2 4.06Å; F281-V285 WeakPolarHBondContact O-CB 3.41Å; F281-V285 WeakPolarHBondContact O-CG2 3.34Å; F281-V285 PolarHBondContact O-N 2.85Å; V283-V285 VanDerWaalsContact C-N 3.32Å; V283-V285 PolarHBondContact O-N 2.96Å; V285-A287 VanDerWaalsContact C-N 3.31Å; V285-A287 PolarHBondContact O-N 3.33Å; V285-F288 PolarHBondContact O-N 2.9Å; V285-V289 HydrophobicContact CG1-CG2 4.47Å; V285-V289 WeakPolarHBondContact O-CB 3.38Å; V285-V289 VanDerWaalsContact O-CG2 3.27Å; V285-V289 WeakPolarHBondContact O-CG2 3.2Å; V285-V289 PolarHBondContact O-N 2.87Å
286G86.9Confident83.2Confident2 Ų260.3 Ų60.32%0.02129%0.287CS..Hα-helixtrans-62.5-37.2176.900000113Q241 H282 V283 T290Q241-G286 PolarHBondContact NE2-O 3.47Å; H282-G286 PolarHBondContact O-N 3.39Å; H282-G286 VanDerWaalsContact O-N 3.09Å; V283-G286 PolarHBondContact O-N 3.47Å; G286-T290 WeakPolarHBondContact O-CB 3.4Å; G286-T290 PolarHBondContact O-N 3.02Å; G286-T290 PolarHBondContact O-OG1 2.97Å
287A88.7Confident82Confident40 Ų4061.1 Ų61.133%0.33129%0.287SS..Hα-helixtrans-70-45.2176.500000111.1F260 V283 T284 V285 V289 T290 L291F260-A287 HydrophobicContact CE2-CB 3.75Å; F260-A287 HydrophobicContact CZ-CB 3.78Å; V283-A287 WeakPolarHBondContact O-CB 3.05Å; V283-A287 PolarHBondContact O-N 3.25Å; T284-A287 PolarHBondContact O-N 2.94Å; V285-A287 VanDerWaalsContact C-N 3.31Å; V285-A287 PolarHBondContact O-N 3.33Å; A287-V289 PolarHBondContact O-N 3.21Å; A287-T290 PolarHBondContact O-N 2.93Å; A287-L291 WeakPolarHBondContact O-CB 3.3Å; A287-L291 PolarHBondContact O-N 3.4Å
288F88.4Confident80.6Confident67 Ų6753.6 Ų53.629%0.29427%0.268SS..Hα-helixtrans-59.8-46.3176.6-178.7-105.1000111.4S191 T284 V285 T290 L291 Q292S191-F288 WeakPolarHBondContact OG-CZ 3.33Å; T284-F288 VanDerWaalsContact O-CB 3.24Å; T284-F288 WeakPolarHBondContact O-CB 3.5Å; T284-F288 PolarHBondContact O-N 2.93Å; V285-F288 PolarHBondContact O-N 2.9Å; F288-T290 PolarHBondContact O-N 3.43Å; F288-L291 WeakPolarHBondContact O-CB 3.3Å; F288-L291 PolarHBondContact O-N 3.36Å; F288-Q292 HydrophobicContact CD1-CG 4.32Å; F288-Q292 HydrophobicContact CE1-CG 4.07Å; F288-Q292 HydrophobicContact CZ-CG 4.25Å; F288-Q292 VanDerWaalsContact CZ-NE2 3.33Å; F288-Q292 VanDerWaalsContact O-CG 3.32Å; F288-Q292 WeakPolarHBondContact O-CG 3.45Å; F288-Q292 PolarHBondContact O-N 3.44Å
289V84.4Confident78.7Confident0 Ų054.8 Ų54.80%027%0.274CS..Hα-helixtrans-63.6-41.5177169.50000111.7G195 Q241 L245 V285 A287 L291 Q292 I293G195-V289 WeakPolarHBondContact O-CG2 3.29Å; Q241-V289 HydrophobicContact CB-CG1 3.87Å; Q241-V289 HydrophobicContact CG-CG1 4.48Å; L245-V289 HydrophobicContact CD1-CG1 3.64Å; L245-V289 HydrophobicContact CD1-CG2 4.49Å; L245-V289 HydrophobicContact CG-CG1 4.01Å; V285-V289 HydrophobicContact CG1-CG2 4.47Å; V285-V289 WeakPolarHBondContact O-CB 3.38Å; V285-V289 VanDerWaalsContact O-CG2 3.27Å; V285-V289 WeakPolarHBondContact O-CG2 3.2Å; V285-V289 PolarHBondContact O-N 2.87Å; A287-V289 PolarHBondContact O-N 3.21Å; V289-L291 VanDerWaalsContact C-N 3.33Å; V289-L291 PolarHBondContact O-N 2.99Å; V289-Q292 PolarHBondContact O-N 3.23Å; V289-I293 HydrophobicContact CG1-CD1 3.84Å; V289-I293 HydrophobicContact CG1-CG1 4.47Å; V289-I293 VanDerWaalsContact O-CG1 3.25Å; V289-I293 WeakPolarHBondContact O-CG1 3.48Å; V289-I293 PolarHBondContact O-N 3.22Å
290T86.1Confident76.8Confident6 Ų655.6 Ų55.64%0.03729%0.292CS..Hα-helixtrans-64.2-39.3175.9-59.70000111.7Q241 F257 F260 G286 A287 F288 I293 W294Q241-T290 PolarHBondContact NE2-OG1 2.85Å; F257-T290 HydrophobicContact CD1-CG2 4.07Å; F257-T290 HydrophobicContact CE1-CG2 4.08Å; F257-T290 HydrophobicContact CG-CG2 4.37Å; F257-T290 HydrophobicContact CZ-CG2 4.38Å; F260-T290 HydrophobicContact CB-CG2 4.5Å; F260-T290 WeakPolarHBondContact CB-OG1 3.49Å; G286-T290 WeakPolarHBondContact O-CB 3.4Å; G286-T290 PolarHBondContact O-N 3.02Å; G286-T290 PolarHBondContact O-OG1 2.97Å; A287-T290 PolarHBondContact O-N 2.93Å; F288-T290 PolarHBondContact O-N 3.43Å; T290-I293 PolarHBondContact O-N 3.37Å; T290-W294 WeakPolarHBondContact O-CB 3.46Å; T290-W294 PolarHBondContact O-N 3.22Å
291L84.2Confident74.2Confident82 Ų8256.1 Ų56.143%0.42929%0.294SS..Hα-helixtrans-64.7-41.9173.9-174.368.3000111.1A287 F288 V289 I293 W294 L295A287-L291 WeakPolarHBondContact O-CB 3.3Å; A287-L291 PolarHBondContact O-N 3.4Å; F288-L291 WeakPolarHBondContact O-CB 3.3Å; F288-L291 PolarHBondContact O-N 3.36Å; V289-L291 VanDerWaalsContact C-N 3.33Å; V289-L291 PolarHBondContact O-N 2.99Å; L291-I293 VanDerWaalsContact C-N 3.35Å; L291-I293 PolarHBondContact O-N 3.14Å; L291-W294 HydrophobicContact CD1-CE3 3.96Å; L291-W294 HydrophobicContact CD1-CZ3 4.42Å; L291-W294 PolarHBondContact O-N 3.01Å; L291-L295 HydrophobicContact CD1-CD1 4.11Å; L291-L295 HydrophobicContact CD1-CG 4.18Å; L291-L295 HydrophobicContact CD2-CD1 4.31Å; L291-L295 HydrophobicContact CG-CD1 3.77Å; L291-L295 HydrophobicContact CG-CG 4.22Å; L291-L295 WeakPolarHBondContact O-CB 3.48Å; L291-L295 VanDerWaalsContact O-CG 3.25Å; L291-L295 WeakPolarHBondContact O-CG 3.45Å; L291-L295 PolarHBondContact O-N 3.43Å
292Q82.7Confident71.6Confident22 Ų2256.2 Ų56.210%0.10331%0.307CS..Hα-helixtrans-62.6-40.9173.5-66.4-55.3-30.400111.8S191 L245 F288 V289 W294 R296S191-Q292 PolarHBondContact OG-NE2 2.94Å; L245-Q292 HydrophobicContact CD2-CB 4.22Å; F288-Q292 HydrophobicContact CD1-CG 4.32Å; F288-Q292 HydrophobicContact CE1-CG 4.07Å; F288-Q292 HydrophobicContact CZ-CG 4.25Å; F288-Q292 VanDerWaalsContact CZ-NE2 3.33Å; F288-Q292 VanDerWaalsContact O-CG 3.32Å; F288-Q292 WeakPolarHBondContact O-CG 3.45Å; F288-Q292 PolarHBondContact O-N 3.44Å; V289-Q292 PolarHBondContact O-N 3.23Å; Q292-W294 VanDerWaalsContact C-N 3.29Å; Q292-W294 PolarHBondContact O-N 3.43Å; Q292-R296 WeakPolarHBondContact O-CB 3.3Å; Q292-R296 PolarHBondContact O-N 2.89Å
293I78.7Confident69.2Low2 Ų261.6 Ų61.61%0.0134%0.342CS..Hα-helixtrans-64.4-36.2175.9-68.4164.2000111.1L244 L245 R252 S256 V289 T290 L291L244-I293 HydrophobicContact CB-CD1 4.07Å; L245-I293 HydrophobicContact CD2-CD1 4.32Å; L245-I293 HydrophobicContact CD2-CG1 3.51Å; L245-I293 HydrophobicContact CG-CD1 4.04Å; L245-I293 HydrophobicContact CG-CG1 3.75Å; R252-I293 HydrophobicContact CG-CG2 3.61Å; R252-I293 PolarHBondContact NE-O 3.31Å; R252-I293 PolarHBondContact NH2-O 3.08Å; S256-I293 WeakPolarHBondContact OG-CD1 3.28Å; V289-I293 HydrophobicContact CG1-CD1 3.84Å; V289-I293 HydrophobicContact CG1-CG1 4.47Å; V289-I293 VanDerWaalsContact O-CG1 3.25Å; V289-I293 WeakPolarHBondContact O-CG1 3.48Å; V289-I293 PolarHBondContact O-N 3.22Å; T290-I293 PolarHBondContact O-N 3.37Å; L291-I293 VanDerWaalsContact C-N 3.35Å; L291-I293 PolarHBondContact O-N 3.14Å
294W77.8Confident66.8Low142 Ų14266.4 Ų66.454%0.53837%0.367SS..Hα-helixtrans-74-43.7178.2-175.370.2000112.6T290 L291 Q292T290-W294 WeakPolarHBondContact O-CB 3.46Å; T290-W294 PolarHBondContact O-N 3.22Å; L291-W294 HydrophobicContact CD1-CE3 3.96Å; L291-W294 HydrophobicContact CD1-CZ3 4.42Å; L291-W294 PolarHBondContact O-N 3.01Å; Q292-W294 VanDerWaalsContact C-N 3.29Å; Q292-W294 PolarHBondContact O-N 3.43Å
295L71Confident64.5Low93 Ų9373.8 Ų73.849%0.48739%0.389SS..Hα-helixtrans-74.6-25.6-179.6-68.8176.5000113.4L291 Q297L291-L295 HydrophobicContact CD1-CD1 4.11Å; L291-L295 HydrophobicContact CD1-CG 4.18Å; L291-L295 HydrophobicContact CD2-CD1 4.31Å; L291-L295 HydrophobicContact CG-CD1 3.77Å; L291-L295 HydrophobicContact CG-CG 4.22Å; L291-L295 WeakPolarHBondContact O-CB 3.48Å; L291-L295 VanDerWaalsContact O-CG 3.25Å; L291-L295 WeakPolarHBondContact O-CG 3.45Å; L291-L295 PolarHBondContact O-N 3.43Å; L295-Q297 PolarHBondContact O-N 2.99Å
296R65.1Low62Low40 Ų4081.4 Ų81.415%0.15143%0.429CS..  trans-74.791.7-178.5-166.4172.9-169.8-161.84.9111E186 A188 L245 R252 Q292E186-R296 PolarHBondContact O-NH2 3.47Å; A188-R296 VanDerWaalsContact CA-NH2 3.33Å; L245-R296 PolarHBondContact O-NH1 3.33Å; R252-R296 PolarHBondContact NH1-O 3.25Å; R252-R296 PolarHBondContact NH2-O 2.88Å; Q292-R296 WeakPolarHBondContact O-CB 3.3Å; Q292-R296 PolarHBondContact O-N 2.89Å
297Q55.9Low59.6Low157 Ų15791.7 Ų91.773%0.73449%0.491SS*.PPolyproline II helixtrans-61.1150.8175.1-64.2-174.1-3.700111.1L295 Q299L295-Q297 PolarHBondContact O-N 2.99Å; Q297-Q299 PolarHBondContact O-N 3.38Å
298A52.2Low58.2Low45 Ų4594.3 Ų94.337%0.37250%0.499SS..PPolyproline II helixtrans-68.8129.717000000107.9G300A298-G300 PolarHBondContact O-N 2.94Å; A298-G300 VanDerWaalsContact O-N 3.14Å
299Q41.5Very low56.6Low89 Ų8995.7 Ų95.742%0.41651%0.51SS..PPolyproline II helixtrans-49.6119.9-172.4-169.5165.723.100111.8E186 Q297E186-Q299 HydrophobicContact CB-CB 4.44Å; E186-Q299 HydrophobicContact CG-CB 3.47Å; E186-Q299 VanDerWaalsContact CG-CB 3.47Å; E186-Q299 HydrophobicContact CG-CG 3.47Å; E186-Q299 VanDerWaalsContact CG-CG 3.47Å; Q297-Q299 PolarHBondContact O-N 3.38Å
300G42.2Very low55Low57 Ų57101 Ų10159%0.58854%0.538SS*.PPolyproline II helixtrans-73.7140.7162.700000109.2A298A298-G300 PolarHBondContact O-N 2.94Å; A298-G300 VanDerWaalsContact O-N 3.14Å
301K31.6Very low53.2Low149 Ų149106.6 Ų106.665%0.64857%0.568SS**PPolyproline II helixtrans-59.5136.6-176.1-157.6178.4-178.4-169.40110.7I178I178-K301 HydrophobicContact CD1-CD 4.32Å
302A34.3Very low51.3Low72 Ų72108.1 Ų108.160%0.59558%0.576SS**PPolyproline II helixtrans-65.4150.6174.300000111.3D304A302-D304 PolarHBondContact O-N 3.19Å
303P36.3Very low49.2Very low114 Ų114113.9 Ų113.974%0.7461%0.608SS**  trans-71.1111.8175.528.7-31.4000109.2
304D38.6Very low47.1Very low145 Ų145121.9 Ų121.978%0.77565%0.651SS**PPolyproline II helixtrans-74.2126.4169-89.5-32.8000109A302A302-D304 PolarHBondContact O-N 3.19Å
305Y39.3Very low44.7Very low221 Ų221120.3 Ų120.387%0.86766%0.659SS**PPolyproline II helixtrans-70.4137.4173.5-84.7-104.1000110.4
306D35.9Very low42.5Very low165 Ų165122.6 Ų122.688%0.88267%0.674SS**PPolyproline II helixtrans-65.8127.3171.8-75.5-40.5000111.5
307V37.2Very low40.4Very low217 Ų217130.1 Ų130.1100%1.31572%0.721SS**  trans-143.70147.6-171.90000109

Retrieved 307 of 307 residues in 186.6 ms (Link to these results)

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