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Vesicle-trafficking protein SEC22c

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

AlphaFold DB , UniProt , Accession Q9BRL7, Species HUMAN (Homo sapiens, Human), Gene SEC22C, Length 303 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
1M69.6Low92.3Very high180 Ų18030.3 Ų30.389%0.88716%0.161SC*.  01430-72.1-178.917300108V3M1-V3 HydrophobicContact CB-CG2 3.85Å; M1-V3 PolarHBondContact O-N 2.89Å
2S84.8Confident92.5Very high49 Ų4929.3 Ų29.334%0.34316%0.157SC..  trans-71.8104.1173.2-51.80000109Q77S2-Q77 PolarHBondContact OG-O 3.38Å
3V91.9Very high92.4Very high39 Ų3936.4 Ų36.424%0.23618%0.18CC..  trans-133.8134-173.8179.30000110M1 F5 C74 S75M1-V3 HydrophobicContact CB-CG2 3.85Å; M1-V3 PolarHBondContact O-N 2.89Å; V3-F5 HydrophobicContact CB-CZ 4.34Å; V3-F5 HydrophobicContact CG1-CD1 4.16Å; V3-F5 HydrophobicContact CG1-CE1 4.03Å; V3-F5 HydrophobicContact CG1-CZ 4.27Å; V3-C74 CarbonylContact O-C 3.59Å; V3-C74 WeakPolarHBondContact O-CA 3.41Å; V3-S75 PolarHBondContact O-N 3.08Å
4I94.1Very high92.4Very high1 Ų135.9 Ų35.91%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-93.4116168.6-55.3173000107.5A72 F86 K123 F126 N127I4-A72 HydrophobicContact CG2-CB 4.3Å; I4-F86 HydrophobicContact CD1-CB 3.74Å; I4-F86 HydrophobicContact CD1-CD1 3.79Å; I4-F86 HydrophobicContact CD1-CD2 3.68Å; I4-F86 HydrophobicContact CD1-CE1 4.28Å; I4-F86 HydrophobicContact CD1-CE2 4.2Å; I4-F86 HydrophobicContact CD1-CG 3.45Å; I4-F86 VanDerWaalsContact CD1-CG 3.45Å; I4-F86 HydrophobicContact CD1-CZ 4.45Å; I4-F86 HydrophobicContact CG2-CD1 4.31Å; I4-F86 HydrophobicContact CG2-CE1 3.86Å; I4-F86 HydrophobicContact CG2-CZ 4.03Å; I4-K123 HydrophobicContact CB-CG 4.11Å; I4-K123 HydrophobicContact CG2-CD 4.38Å; I4-K123 HydrophobicContact CG2-CG 4.07Å; I4-F126 HydrophobicContact CD1-CB 3.92Å; I4-F126 HydrophobicContact CD1-CG 4.45Å; I4-N127 PolarHBondContact N-OD1 3.44Å; I4-N127 PolarHBondContact O-ND2 3.46Å
5F93.9Very high92.6Very high38 Ų3833.9 Ų33.917%0.16717%0.171CC..EExtended strand (participates in β ladder)trans-90.6-38.6-174.6-69.4-74.5000113.2V3 Y25 F30 F58 I73V3-F5 HydrophobicContact CB-CZ 4.34Å; V3-F5 HydrophobicContact CG1-CD1 4.16Å; V3-F5 HydrophobicContact CG1-CE1 4.03Å; V3-F5 HydrophobicContact CG1-CZ 4.27Å; F5-Y25 HydrophobicContact CD1-CD2 4.13Å; F5-Y25 HydrophobicContact CD1-CE2 4.02Å; F5-Y25 HydrophobicContact CE1-CD2 4.36Å; F5-Y25 AromaticContact CE1-CE2 3.79Å; F5-Y25 HydrophobicContact CE1-CE2 3.79Å; F5-Y25 AromaticContact CE1-CZ 3.89Å; F5-F30 HydrophobicContact CB-CE2 3.63Å; F5-F30 HydrophobicContact CB-CZ 4.13Å; F5-F30 HydrophobicContact CG-CE2 4.37Å; F5-F58 AromaticContact CD2-CD1 3.8Å; F5-F58 HydrophobicContact CD2-CD1 3.8Å; F5-F58 AromaticContact CD2-CE1 3.72Å; F5-F58 HydrophobicContact CD2-CE1 3.72Å; F5-F58 AromaticContact CE2-CD1 3.83Å; F5-F58 HydrophobicContact CE2-CD1 3.83Å; F5-F58 AromaticContact CE2-CE1 3.58Å; F5-F58 HydrophobicContact CE2-CE1 3.58Å; F5-F58 HydrophobicContact CG-CE1 4.35Å; F5-F58 HydrophobicContact CZ-CE1 4.14Å; F5-I73 PolarHBondContact N-O 2.96Å
6F95.6Very high92.8Very high8 Ų833.1 Ų33.14%0.03517%0.167CC..EExtended strand (participates in β ladder)trans-148.7146.2-176.2171.8-96.9000110.4C8 A20 S21 F30 L37 A72 I73F6-C8 HydrophobicContact CE1-CB 3.87Å; F6-C8 HydrophobicContact CZ-CB 3.84Å; F6-A20 HydrophobicContact CE2-CB 3.87Å; F6-A20 HydrophobicContact CZ-CB 3.77Å; F6-S21 WeakPolarHBondContact CA-OG 3.3Å; F6-S21 WeakPolarHBondContact CD2-OG 3.39Å; F6-F30 HydrophobicContact CB-CE2 4.36Å; F6-F30 HydrophobicContact CB-CZ 3.77Å; F6-L37 HydrophobicContact CD1-CD1 4.13Å; F6-L37 HydrophobicContact CE1-CD1 4.17Å; F6-L37 HydrophobicContact CE1-CD2 4.23Å; F6-A72 CarbonylContact O-C 3.59Å; F6-A72 WeakPolarHBondContact O-CA 3.33Å; F6-I73 HydrophobicContact CB-CB 4.33Å; F6-I73 HydrophobicContact CB-CD1 4.45Å; F6-I73 HydrophobicContact CD1-CD1 4.09Å; F6-I73 HydrophobicContact CD1-CG1 4.26Å; F6-I73 PolarHBondContact N-O 3.22Å; F6-I73 PolarHBondContact O-N 3.35Å
7A97.2Very high93Very high0 Ų033.1 Ų33.10%017%0.17CC..EExtended strand (participates in β ladder)trans-139.6146.7173.900000110.7A20 S21 M71 F86 L90 I119A7-A20 CarbonylContact O-C 3.55Å; A7-A20 WeakPolarHBondContact O-CA 3.47Å; A7-S21 PolarHBondContact N-OG 3.37Å; A7-S21 PolarHBondContact O-N 3.35Å; A7-S21 PolarHBondContact O-OG 3.18Å; A7-M71 CarbonylContact C-O 3.58Å; A7-M71 VanDerWaalsContact CA-O 3.28Å; A7-M71 WeakPolarHBondContact CA-O 3.32Å; A7-F86 HydrophobicContact CB-CE1 3.6Å; A7-F86 HydrophobicContact CB-CZ 3.6Å; A7-L90 HydrophobicContact CB-CD1 3.89Å; A7-I119 HydrophobicContact CB-CG2 3.79Å
8C97.2Very high93.3Very high6 Ų631.2 Ų31.24%0.04116%0.16CC..EExtended strand (participates in β ladder)trans-145154.2171.666.70000112.2F6 S19 A20 L37 C70 M71F6-C8 HydrophobicContact CE1-CB 3.87Å; F6-C8 HydrophobicContact CZ-CB 3.84Å; C8-S19 CarbonylContact C-O 3.56Å; C8-S19 WeakPolarHBondContact CA-O 3.2Å; C8-S19 WeakPolarHBondContact CB-O 3.48Å; C8-A20 HydrophobicContact CB-CB 3.66Å; C8-L37 VanDerWaalsContact SG-CD2 3.57Å; C8-C70 WeakPolarHBondContact O-CA 2.94Å; C8-M71 PolarHBondContact N-O 3.46Å; C8-M71 PolarHBondContact O-N 3.35Å
9V97.8Very high93.5Very high0 Ų029.6 Ų29.60%015%0.152CC..EExtended strand (participates in β ladder)trans-108130.9172.5-172.20000107.4L18 S19 V68 A69 F94 F115V9-L18 HydrophobicContact CB-CB 4.39Å; V9-L18 HydrophobicContact CG1-CB 4.32Å; V9-L18 HydrophobicContact CG1-CD1 4.26Å; V9-L18 WeakPolarHBondContact O-CB 3.49Å; V9-L18 PolarHBondContact O-N 2.92Å; V9-S19 PolarHBondContact N-O 2.97Å; V9-S19 PolarHBondContact O-N 2.95Å; V9-V68 HydrophobicContact CG1-CG1 3.43Å; V9-V68 VanDerWaalsContact CG1-CG1 3.43Å; V9-A69 CarbonylContact C-O 3.57Å; V9-A69 WeakPolarHBondContact CA-O 2.97Å; V9-F94 HydrophobicContact CB-CD2 4.36Å; V9-F94 HydrophobicContact CB-CE2 4.39Å; V9-F94 HydrophobicContact CG1-CD1 3.83Å; V9-F94 HydrophobicContact CG1-CD2 4.02Å; V9-F94 HydrophobicContact CG1-CE1 3.86Å; V9-F94 HydrophobicContact CG1-CE2 4.07Å; V9-F94 HydrophobicContact CG1-CG 3.91Å; V9-F94 HydrophobicContact CG1-CZ 4Å; V9-F94 HydrophobicContact CG2-CD2 4.16Å; V9-F94 HydrophobicContact CG2-CG 4.42Å; V9-F115 HydrophobicContact CG2-CD1 4.29Å; V9-F115 HydrophobicContact CG2-CE1 4.05Å
10V97.2Very high93.7Very high4 Ų428.7 Ų28.72%0.02415%0.149CC..EExtended strand (participates in β ladder)trans-133.1155.2-177.4-53.70000110.4L16 A41 L44 A69 M71V10-L16 CarbonylContact C-O 3.55Å; V10-L16 VanDerWaalsContact CA-O 3.31Å; V10-L16 WeakPolarHBondContact CA-O 3.41Å; V10-A41 HydrophobicContact CG1-CB 4.26Å; V10-A41 HydrophobicContact CG2-CB 4.44Å; V10-L44 HydrophobicContact CG2-CD1 3.41Å; V10-L44 VanDerWaalsContact CG2-CD1 3.41Å; V10-A69 HydrophobicContact CG2-CB 3.9Å; V10-A69 PolarHBondContact N-O 3.12Å; V10-A69 PolarHBondContact O-N 3.25Å; V10-M71 HydrophobicContact CG1-SD 4.38Å; V10-M71 HydrophobicContact CG2-CG 4.4Å; V10-M71 HydrophobicContact CG2-SD 4.09Å
11R95.7Very high93.7Very high8 Ų827.5 Ų27.53%0.0314%0.143CC..EExtended strand (participates in β ladder)trans-85.1130.7171.3-172.2168.358-160.25.3109.9R13 D14 G15 L16 L18 D67 I103 G104 A106R11-R13 HydrophobicContact CG-CG 4.07Å; R11-R13 VanDerWaalsContact NE-NE 3.15Å; R11-R13 VanDerWaalsContact NH1-NH2 3.11Å; R11-R13 PolarHBondContact O-N 3.36Å; R11-D14 WeakPolarHBondContact CB-OD1 3.25Å; R11-D14 IonicContact CZ-OD1 3.88Å; R11-D14 IonicContact CZ-OD2 3.32Å; R11-D14 VanDerWaalsContact CZ-OD2 3.32Å; R11-D14 IonicContact NE-OD1 3.05Å; R11-D14 PolarHBondContact NE-OD1 2.55Å; R11-D14 IonicContact NE-OD2 3.19Å; R11-D14 PolarHBondContact NE-OD2 3.43Å; R11-D14 IonicContact NH2-OD1 3.86Å; R11-D14 IonicContact NH2-OD2 2.66Å; R11-D14 PolarHBondContact NH2-OD2 3.37Å; R11-G15 WeakPolarHBondContact O-CA 3.33Å; R11-G15 PolarHBondContact O-N 2.89Å; R11-L16 HydrophobicContact CB-CB 4.3Å; R11-L16 PolarHBondContact N-O 3.3Å; R11-L18 HydrophobicContact CB-CD1 4.28Å; R11-L18 HydrophobicContact CB-CD2 4.28Å; R11-L18 HydrophobicContact CB-CG 4.35Å; R11-D67 CarbonylContact C-O 3.51Å; R11-D67 WeakPolarHBondContact CA-O 3.49Å; R11-D67 WeakPolarHBondContact CD-OD2 3.4Å; R11-D67 WeakPolarHBondContact CG-O 3.3Å; R11-I103 PolarHBondContact NH1-O 2.84Å; R11-G104 PolarHBondContact NH1-O 3.42Å; R11-A106 VanDerWaalsContact CZ-O 3.28Å; R11-A106 PolarHBondContact NH1-O 3.5Å; R11-A106 PolarHBondContact NH2-O 3.43Å
12V94.4Very high94.6Very high19 Ų1923 Ų2312%0.11513%0.126CC..THydrogen-bonded Turntrans-66.5-41.3-169173.50000112D14 A45 D67 A69V12-D14 VanDerWaalsContact C-N 3.3Å; V12-D14 PolarHBondContact O-N 2.69Å; V12-A45 HydrophobicContact CG1-CB 4.26Å; V12-D67 PolarHBondContact N-O 2.92Å; V12-A69 HydrophobicContact CG2-CB 3.81Å
13R91.9Very high94.3Very high121 Ų12122.2 Ų22.246%0.45712%0.118SC..THydrogen-bonded Turntrans-63.7-30.2-17276.7-163.3-171.9-171.12.3114.8R11 D67 G104R11-R13 HydrophobicContact CG-CG 4.07Å; R11-R13 VanDerWaalsContact NE-NE 3.15Å; R11-R13 VanDerWaalsContact NH1-NH2 3.11Å; R11-R13 PolarHBondContact O-N 3.36Å; R13-D67 IonicContact NH1-OD2 2.89Å; R13-G104 PolarHBondContact NH2-O 3.32Å
14D92.8Very high93.3Very high29 Ų2928.4 Ų28.416%0.15514%0.142CC..THydrogen-bonded Turntrans-136.9-2.6-170.559.4-0.2000114R11 V12 L16 L42 L173R11-D14 WeakPolarHBondContact CB-OD1 3.25Å; R11-D14 IonicContact CZ-OD1 3.88Å; R11-D14 IonicContact CZ-OD2 3.32Å; R11-D14 VanDerWaalsContact CZ-OD2 3.32Å; R11-D14 IonicContact NE-OD1 3.05Å; R11-D14 PolarHBondContact NE-OD1 2.55Å; R11-D14 IonicContact NE-OD2 3.19Å; R11-D14 PolarHBondContact NE-OD2 3.43Å; R11-D14 IonicContact NH2-OD1 3.86Å; R11-D14 IonicContact NH2-OD2 2.66Å; R11-D14 PolarHBondContact NH2-OD2 3.37Å; V12-D14 VanDerWaalsContact C-N 3.3Å; V12-D14 PolarHBondContact O-N 2.69Å; D14-L16 PolarHBondContact O-N 2.88Å; D14-L16 VanDerWaalsContact OD1-CB 3.3Å; D14-L16 WeakPolarHBondContact OD1-CB 3.32Å; D14-L16 PolarHBondContact OD1-N 3.07Å; D14-L16 VanDerWaalsContact OD1-N 3.12Å; D14-L42 WeakPolarHBondContact O-CD2 3.37Å; D14-L173 HydrophobicContact CB-CD1 3.68Å; D14-L173 HydrophobicContact CB-CD2 4.26Å; D14-L173 HydrophobicContact CB-CG 4.37Å
15G94.5Very high92.5Very high7 Ų732.7 Ų32.77%0.07216%0.159CC..  trans67.316.7-176.100000113.8R11 P17 A41R11-G15 WeakPolarHBondContact O-CA 3.33Å; R11-G15 PolarHBondContact O-N 2.89Å; G15-P17 WeakPolarHBondContact O-CD 3.37Å; G15-A41 VanDerWaalsContact CA-O 3.23Å; G15-A41 WeakPolarHBondContact CA-O 3.34Å
16L95.9Very high91.7Very high21 Ų2137.2 Ų37.211%0.1118%0.18CC..  trans-61.5120.7-179.7-178.374.1000109.4V10 R11 D14 L18 A106 P109V10-L16 CarbonylContact C-O 3.55Å; V10-L16 VanDerWaalsContact CA-O 3.31Å; V10-L16 WeakPolarHBondContact CA-O 3.41Å; R11-L16 HydrophobicContact CB-CB 4.3Å; R11-L16 PolarHBondContact N-O 3.3Å; D14-L16 PolarHBondContact O-N 2.88Å; D14-L16 VanDerWaalsContact OD1-CB 3.3Å; D14-L16 WeakPolarHBondContact OD1-CB 3.32Å; D14-L16 PolarHBondContact OD1-N 3.07Å; D14-L16 VanDerWaalsContact OD1-N 3.12Å; L16-L18 HydrophobicContact CD2-CD2 4.24Å; L16-L18 PolarHBondContact O-N 3.31Å; L16-A106 HydrophobicContact CD2-CB 4.32Å; L16-A106 WeakPolarHBondContact CD2-O 3.33Å; L16-P109 HydrophobicContact CD1-CG 4.14Å
17P96.6Very high91.2Very high32 Ų3239.8 Ų39.821%0.20820%0.197CC..EExtended strand (participates in β ladder)trans-67.8125175.228.2-34.6000109.7G15 P109 Y110G15-P17 WeakPolarHBondContact O-CD 3.37Å; P17-P109 HydrophobicContact CG-CB 3.91Å; P17-Y110 HydrophobicContact CB-CD1 4.13Å; P17-Y110 HydrophobicContact CB-CE1 3.7Å; P17-Y110 HydrophobicContact CB-CE2 4.35Å; P17-Y110 HydrophobicContact CG-CD2 4.47Å; P17-Y110 HydrophobicContact CG-CE1 4.34Å; P17-Y110 HydrophobicContact CG-CE2 4.09Å; P17-Y110 PolarHBondContact O-N 2.93Å
18L97.3Very high90.7Very high0 Ų046.3 Ų46.30%023%0.227CC..EExtended strand (participates in β ladder)trans-94.3-43.7-178.9-63.4-174.5000111V9 R11 L16 V68 F94 I103 A106 Y110 A111 F112V9-L18 HydrophobicContact CB-CB 4.39Å; V9-L18 HydrophobicContact CG1-CB 4.32Å; V9-L18 HydrophobicContact CG1-CD1 4.26Å; V9-L18 WeakPolarHBondContact O-CB 3.49Å; V9-L18 PolarHBondContact O-N 2.92Å; R11-L18 HydrophobicContact CB-CD1 4.28Å; R11-L18 HydrophobicContact CB-CD2 4.28Å; R11-L18 HydrophobicContact CB-CG 4.35Å; L16-L18 HydrophobicContact CD2-CD2 4.24Å; L16-L18 PolarHBondContact O-N 3.31Å; L18-V68 HydrophobicContact CD1-CG2 4.43Å; L18-F94 HydrophobicContact CB-CE2 4.41Å; L18-F94 HydrophobicContact CB-CZ 3.91Å; L18-F94 HydrophobicContact CD1-CE1 3.81Å; L18-F94 HydrophobicContact CD1-CZ 3.73Å; L18-F94 HydrophobicContact CG-CZ 4.46Å; L18-I103 HydrophobicContact CD1-CG2 3.71Å; L18-A106 HydrophobicContact CD2-CB 4.44Å; L18-Y110 CarbonylContact O-C 3.59Å; L18-Y110 VanDerWaalsContact O-CA 3.31Å; L18-Y110 WeakPolarHBondContact O-CA 3.34Å; L18-A111 PolarHBondContact O-N 2.93Å; L18-F112 HydrophobicContact CB-CD2 3.9Å; L18-F112 HydrophobicContact CB-CE2 4.46Å; L18-F112 HydrophobicContact CD2-CD2 4.18Å; L18-F112 HydrophobicContact CD2-CE2 3.95Å; L18-F112 HydrophobicContact CG-CD2 4.49Å; L18-F112 PolarHBondContact O-N 3.19Å
19S97.5Very high90.2Very high0 Ų049.5 Ų49.50%024%0.244CC..EExtended strand (participates in β ladder)trans-156.9162.2173.9-1620000110.7C8 V9 F112C8-S19 CarbonylContact C-O 3.56Å; C8-S19 WeakPolarHBondContact CA-O 3.2Å; C8-S19 WeakPolarHBondContact CB-O 3.48Å; V9-S19 PolarHBondContact N-O 2.97Å; V9-S19 PolarHBondContact O-N 2.95Å; S19-F112 VanDerWaalsContact CB-O 3.24Å; S19-F112 WeakPolarHBondContact CB-O 3.35Å; S19-F112 PolarHBondContact OG-O 3Å
20A97.1Very high89.8Confident12 Ų1249.5 Ų49.510%0.09924%0.244CC..EExtended strand (participates in β ladder)trans-156.4158.3175.600000111.9F6 A7 C8 Y110F6-A20 HydrophobicContact CE2-CB 3.87Å; F6-A20 HydrophobicContact CZ-CB 3.77Å; A7-A20 CarbonylContact O-C 3.55Å; A7-A20 WeakPolarHBondContact O-CA 3.47Å; C8-A20 HydrophobicContact CB-CB 3.66Å; A20-Y110 HydrophobicContact CB-CD1 4.23Å; A20-Y110 HydrophobicContact CB-CE1 3.64Å
21S95.3Very high89.5Confident4 Ų452.5 Ų52.53%0.02826%0.259CS..  trans-69.8131.8174.165.60000111.8F6 A7 D23 D116F6-S21 WeakPolarHBondContact CA-OG 3.3Å; F6-S21 WeakPolarHBondContact CD2-OG 3.39Å; A7-S21 PolarHBondContact N-OG 3.37Å; A7-S21 PolarHBondContact O-N 3.35Å; A7-S21 PolarHBondContact O-OG 3.18Å; S21-D23 WeakPolarHBondContact CB-OD2 3.25Å; S21-D23 PolarHBondContact O-N 3.17Å; S21-D23 PolarHBondContact OG-OD2 3.34Å; S21-D116 VanDerWaalsContact CA-OD1 3.28Å; S21-D116 WeakPolarHBondContact CA-OD1 3.21Å
22T88.2Confident89.3Confident84 Ų8455 Ų5552%0.51527%0.271SS..  trans-83.988.9172.3-51.40000110D116 Q120T22-D116 VanDerWaalsContact CB-OD2 3.23Å; T22-D116 WeakPolarHBondContact CB-OD2 3.35Å; T22-D116 PolarHBondContact N-OD1 3.46Å; T22-D116 PolarHBondContact OG1-OD2 3.27Å; T22-Q120 PolarHBondContact O-NE2 2.86Å
23D78.5Confident89.1Confident34 Ų3455 Ų5518%0.18227%0.269CS..  trans-118.7136.4-179.7-63.7-49.6000113S21 Y25 Q120 K123S21-D23 WeakPolarHBondContact CB-OD2 3.25Å; S21-D23 PolarHBondContact O-N 3.17Å; S21-D23 PolarHBondContact OG-OD2 3.34Å; D23-Y25 PolarHBondContact O-N 2.87Å; D23-Q120 PolarHBondContact OD1-NE2 2.93Å; D23-K123 IonicContact OD1-NZ 2.61Å; D23-K123 PolarHBondContact OD1-NZ 2.7Å; D23-K123 IonicContact OD2-NZ 2.73Å; D23-K123 PolarHBondContact OD2-NZ 3.38Å
24F70.9Confident89.1Confident169 Ų16952.1 Ų52.174%0.74126%0.258SS*.  trans-95.172.1177.9-60.3-81.8000110.3H26F24-H26 AromaticContact CD1-NE2 3.66Å
25Y77.1Confident89.1Confident91 Ų9157.9 Ų57.936%0.35728%0.278SS..  trans-112.8114.3167.9-146.1-92.9000108.2F5 D23 T27 F30 F58F5-Y25 HydrophobicContact CD1-CD2 4.13Å; F5-Y25 HydrophobicContact CD1-CE2 4.02Å; F5-Y25 HydrophobicContact CE1-CD2 4.36Å; F5-Y25 AromaticContact CE1-CE2 3.79Å; F5-Y25 HydrophobicContact CE1-CE2 3.79Å; F5-Y25 AromaticContact CE1-CZ 3.89Å; D23-Y25 PolarHBondContact O-N 2.87Å; Y25-T27 WeakPolarHBondContact CE1-OG1 3.28Å; Y25-F30 HydrophobicContact CD1-CB 3.78Å; Y25-F30 HydrophobicContact CD1-CD1 4.01Å; Y25-F30 HydrophobicContact CD1-CD2 4.06Å; Y25-F30 AromaticContact CD1-CG 3.69Å; Y25-F30 HydrophobicContact CD1-CG 3.69Å; Y25-F30 HydrophobicContact CE1-CB 4.36Å; Y25-F30 HydrophobicContact CG-CD1 4.36Å; Y25-F30 HydrophobicContact CG-CG 4.4Å; Y25-F30 WeakPolarHBondContact O-CD1 3.5Å; Y25-F58 HydrophobicContact CE1-CZ 4.22Å
26H75.9Confident88.9Confident132 Ų13260.9 Ų60.961%0.61129%0.287SS*.  trans-117.812.9-166.4-69.3-68.3000114.2F24 Q28F24-H26 AromaticContact CD1-NE2 3.66Å; H26-Q28 PolarHBondContact O-N 3.19Å
27T85.3Confident88.8Confident63 Ų6360.1 Ų60.139%0.38728%0.283SS..  trans-61.1138.1171.4-46.90000109.8Y25 D29 F30 L31Y25-T27 WeakPolarHBondContact CE1-OG1 3.28Å; T27-D29 VanDerWaalsContact C-N 3.26Å; T27-D29 HydrophobicContact CG2-CB 4.43Å; T27-D29 PolarHBondContact O-N 3.06Å; T27-F30 WeakPolarHBondContact O-CB 3.49Å; T27-F30 PolarHBondContact O-N 3.07Å; T27-L31 PolarHBondContact O-N 3.3Å; T27-L31 VanDerWaalsContact O-N 3.16Å
28Q86.5Confident88.7Confident136 Ų13664 Ų6464%0.63630%0.297SS*.Hα-helixtrans-54.4-44.7-178.8-177.4175.9-32.900111.8H26 F30 L31 E32H26-Q28 PolarHBondContact O-N 3.19Å; Q28-F30 VanDerWaalsContact C-N 3.3Å; Q28-F30 PolarHBondContact O-N 3.21Å; Q28-L31 WeakPolarHBondContact O-CB 3.37Å; Q28-L31 PolarHBondContact O-N 2.92Å; Q28-L31 VanDerWaalsContact O-N 3.07Å; Q28-E32 PolarHBondContact O-N 2.92Å; Q28-E32 VanDerWaalsContact O-N 3.13Å
29D86.8Confident88.4Confident73 Ų7365.9 Ų65.939%0.3931%0.31SS..Hα-helixtrans-56.5-45.7177.5-51.8-31.1000110.9T27 L31 E32 W33 F58T27-D29 VanDerWaalsContact C-N 3.26Å; T27-D29 HydrophobicContact CG2-CB 4.43Å; T27-D29 PolarHBondContact O-N 3.06Å; D29-L31 VanDerWaalsContact C-N 3.3Å; D29-L31 PolarHBondContact O-N 3.44Å; D29-E32 WeakPolarHBondContact O-CB 3.47Å; D29-E32 PolarHBondContact O-N 3.02Å; D29-E32 VanDerWaalsContact O-N 3.08Å; D29-W33 PolarHBondContact O-N 3.17Å; D29-F58 HydrophobicContact CB-CE2 4.2Å
30F90.9Very high88.2Confident0 Ų066.2 Ų66.20%031%0.311CS..Hα-helixtrans-63.3-35.2179-177.7-102.7000112.9F5 F6 Y25 T27 Q28 E32 W33 R34 F58 I73F5-F30 HydrophobicContact CB-CE2 3.63Å; F5-F30 HydrophobicContact CB-CZ 4.13Å; F5-F30 HydrophobicContact CG-CE2 4.37Å; F6-F30 HydrophobicContact CB-CE2 4.36Å; F6-F30 HydrophobicContact CB-CZ 3.77Å; Y25-F30 HydrophobicContact CD1-CB 3.78Å; Y25-F30 HydrophobicContact CD1-CD1 4.01Å; Y25-F30 HydrophobicContact CD1-CD2 4.06Å; Y25-F30 AromaticContact CD1-CG 3.69Å; Y25-F30 HydrophobicContact CD1-CG 3.69Å; Y25-F30 HydrophobicContact CE1-CB 4.36Å; Y25-F30 HydrophobicContact CG-CD1 4.36Å; Y25-F30 HydrophobicContact CG-CG 4.4Å; Y25-F30 WeakPolarHBondContact O-CD1 3.5Å; T27-F30 WeakPolarHBondContact O-CB 3.49Å; T27-F30 PolarHBondContact O-N 3.07Å; Q28-F30 VanDerWaalsContact C-N 3.3Å; Q28-F30 PolarHBondContact O-N 3.21Å; F30-E32 VanDerWaalsContact C-N 3.32Å; F30-E32 PolarHBondContact O-N 3.01Å; F30-W33 PolarHBondContact O-N 3.21Å; F30-R34 HydrophobicContact CD1-CG 4.23Å; F30-R34 VanDerWaalsContact CE1-CD 3.48Å; F30-R34 HydrophobicContact CE1-CG 3.9Å; F30-R34 HydrophobicContact CZ-CG 4.18Å; F30-R34 WeakPolarHBondContact O-CG 3.47Å; F30-R34 PolarHBondContact O-N 3.16Å; F30-F58 HydrophobicContact CB-CE2 4.41Å; F30-F58 HydrophobicContact CB-CZ 4.1Å; F30-F58 HydrophobicContact CD2-CD1 4.29Å; F30-F58 AromaticContact CD2-CE1 3.85Å; F30-F58 HydrophobicContact CD2-CE1 3.85Å; F30-F58 HydrophobicContact CD2-CZ 4.11Å; F30-I73 HydrophobicContact CD2-CG2 4.25Å; F30-I73 HydrophobicContact CE2-CB 4.21Å; F30-I73 HydrophobicContact CE2-CD1 4.11Å; F30-I73 HydrophobicContact CE2-CG2 3.87Å; F30-I73 HydrophobicContact CZ-CD1 4.47Å
31L90.1Very high88.1Confident68 Ų6865.8 Ų65.836%0.35631%0.308SS..Hα-helixtrans-67.6-32.1174.8-66.1174.8000112.3T27 Q28 D29 R35T27-L31 PolarHBondContact O-N 3.3Å; T27-L31 VanDerWaalsContact O-N 3.16Å; Q28-L31 WeakPolarHBondContact O-CB 3.37Å; Q28-L31 PolarHBondContact O-N 2.92Å; Q28-L31 VanDerWaalsContact O-N 3.07Å; D29-L31 VanDerWaalsContact C-N 3.3Å; D29-L31 PolarHBondContact O-N 3.44Å; L31-R35 WeakPolarHBondContact O-CG 3.48Å; L31-R35 PolarHBondContact O-N 3.34Å; L31-R35 VanDerWaalsContact O-N 3.09Å; L31-R35 PolarHBondContact O-NE 3.22Å
32E90.9Very high87.9Confident60 Ų6071 Ų7128%0.2834%0.335SS..Hα-helixtrans-67-44.5171.3-69.3175.7-17000111Q28 D29 F30 R34 R35 R36Q28-E32 PolarHBondContact O-N 2.92Å; Q28-E32 VanDerWaalsContact O-N 3.13Å; D29-E32 WeakPolarHBondContact O-CB 3.47Å; D29-E32 PolarHBondContact O-N 3.02Å; D29-E32 VanDerWaalsContact O-N 3.08Å; F30-E32 VanDerWaalsContact C-N 3.32Å; F30-E32 PolarHBondContact O-N 3.01Å; E32-R34 VanDerWaalsContact C-N 3.33Å; E32-R34 PolarHBondContact O-N 3.49Å; E32-R35 WeakPolarHBondContact O-CA 3.42Å; E32-R35 WeakPolarHBondContact O-CB 2.93Å; E32-R35 PolarHBondContact O-N 3.34Å; E32-R36 WeakPolarHBondContact O-CG 3.4Å; E32-R36 PolarHBondContact O-N 3.16Å
33W91.4Very high88Confident19 Ų1970.6 Ų70.67%0.07232%0.324CS..Hα-helixtrans-61.1-38.9174.2-80.494.6000112.9D29 F30 R35 R36 L37 F58 I60 I73 L155D29-W33 PolarHBondContact O-N 3.17Å; F30-W33 PolarHBondContact O-N 3.21Å; W33-R35 VanDerWaalsContact C-N 3.34Å; W33-R35 PolarHBondContact O-N 3.19Å; W33-R36 PolarHBondContact O-N 2.93Å; W33-L37 WeakPolarHBondContact O-CB 3.4Å; W33-L37 PolarHBondContact O-N 3.41Å; W33-F58 AromaticContact CD1-CD2 3.45Å; W33-F58 VanDerWaalsContact CD1-CD2 3.45Å; W33-F58 HydrophobicContact CD2-CB 3.71Å; W33-F58 HydrophobicContact CD2-CG 4.49Å; W33-F58 HydrophobicContact CE3-CB 4.13Å; W33-F58 HydrophobicContact CG-CB 3.96Å; W33-F58 HydrophobicContact CG-CD2 4.05Å; W33-F58 HydrophobicContact CG-CG 4.24Å; W33-F58 WeakPolarHBondContact CH2-O 3.49Å; W33-F58 HydrophobicContact CZ2-CB 4.2Å; W33-F58 WeakPolarHBondContact CZ2-O 3.45Å; W33-F58 AromaticContact NE1-CD2 3.66Å; W33-I60 HydrophobicContact CE3-CD1 3.54Å; W33-I60 HydrophobicContact CE3-CG1 3.63Å; W33-I60 HydrophobicContact CZ3-CB 4.5Å; W33-I60 HydrophobicContact CZ3-CD1 3.82Å; W33-I60 HydrophobicContact CZ3-CG1 3.81Å; W33-I73 HydrophobicContact CB-CD1 4.23Å; W33-L155 HydrophobicContact CE3-CD1 4.28Å; W33-L155 HydrophobicContact CH2-CD1 3.26Å; W33-L155 HydrophobicContact CZ2-CD1 4.17Å; W33-L155 HydrophobicContact CZ3-CD1 3.34Å
34R92.1Very high88.6Confident60 Ų6069 Ų6923%0.22632%0.316CS..Hα-helixtrans-64-36.4171.6-73.9-17475.9173.47.5112.8F30 E32 K38 I73F30-R34 HydrophobicContact CD1-CG 4.23Å; F30-R34 VanDerWaalsContact CE1-CD 3.48Å; F30-R34 HydrophobicContact CE1-CG 3.9Å; F30-R34 HydrophobicContact CZ-CG 4.18Å; F30-R34 WeakPolarHBondContact O-CG 3.47Å; F30-R34 PolarHBondContact O-N 3.16Å; E32-R34 VanDerWaalsContact C-N 3.33Å; E32-R34 PolarHBondContact O-N 3.49Å; R34-K38 WeakPolarHBondContact O-CG 3.37Å; R34-K38 PolarHBondContact O-N 3.49Å; R34-K38 VanDerWaalsContact O-N 3.15Å; R34-I73 HydrophobicContact CB-CD1 4.45Å; R34-I73 HydrophobicContact CG-CD1 3.72Å
35R92Very high89.5Confident151 Ų15164.2 Ų64.257%0.5731%0.307SS*.Hα-helixtrans-66.4-45.3174.5-79.3179.5-90.2150.7-10111.1L31 E32 W33 L37 K38 S39L31-R35 WeakPolarHBondContact O-CG 3.48Å; L31-R35 PolarHBondContact O-N 3.34Å; L31-R35 VanDerWaalsContact O-N 3.09Å; L31-R35 PolarHBondContact O-NE 3.22Å; E32-R35 WeakPolarHBondContact O-CA 3.42Å; E32-R35 WeakPolarHBondContact O-CB 2.93Å; E32-R35 PolarHBondContact O-N 3.34Å; W33-R35 VanDerWaalsContact C-N 3.34Å; W33-R35 PolarHBondContact O-N 3.19Å; R35-L37 PolarHBondContact O-N 3.26Å; R35-K38 PolarHBondContact O-N 2.91Å; R35-S39 PolarHBondContact O-N 3.25Å
36R91.1Very high89.9Confident70 Ų7067 Ų6726%0.26432%0.324SS..Hα-helixtrans-59.3-45.2175.1-70175.9-176.9178.20.9111.8E32 W33 K38 S39 L40 I60 L155E32-R36 WeakPolarHBondContact O-CG 3.4Å; E32-R36 PolarHBondContact O-N 3.16Å; W33-R36 PolarHBondContact O-N 2.93Å; R36-K38 VanDerWaalsContact C-N 3.32Å; R36-K38 PolarHBondContact O-N 2.87Å; R36-S39 PolarHBondContact O-N 2.93Å; R36-L40 WeakPolarHBondContact O-CB 3.24Å; R36-L40 PolarHBondContact O-N 3.46Å; R36-I60 HydrophobicContact CB-CD1 4.22Å; R36-L155 HydrophobicContact CB-CD2 4.46Å
37L93.9Very high90.3Very high4 Ų463.6 Ų63.62%0.02131%0.306CS..Hα-helixtrans-57.6-44.1175.7-175.5153000111.7F6 C8 W33 R35 L40 A41 I60 M71 I73F6-L37 HydrophobicContact CD1-CD1 4.13Å; F6-L37 HydrophobicContact CE1-CD1 4.17Å; F6-L37 HydrophobicContact CE1-CD2 4.23Å; C8-L37 VanDerWaalsContact SG-CD2 3.57Å; W33-L37 WeakPolarHBondContact O-CB 3.4Å; W33-L37 PolarHBondContact O-N 3.41Å; R35-L37 PolarHBondContact O-N 3.26Å; L37-L40 PolarHBondContact O-N 3.02Å; L37-A41 PolarHBondContact O-N 2.81Å; L37-I60 HydrophobicContact CB-CD1 3.99Å; L37-I60 HydrophobicContact CB-CG1 4.46Å; L37-I60 HydrophobicContact CD1-CG2 4.4Å; L37-M71 HydrophobicContact CD1-CB 4.09Å; L37-M71 HydrophobicContact CD2-CB 4.42Å; L37-M71 HydrophobicContact CD2-CE 4.29Å; L37-M71 HydrophobicContact CD2-SD 3.96Å; L37-M71 HydrophobicContact CG-CB 4.34Å; L37-M71 HydrophobicContact CG-CE 3.91Å; L37-M71 HydrophobicContact CG-SD 4.21Å; L37-I73 HydrophobicContact CB-CD1 4.44Å; L37-I73 HydrophobicContact CD1-CD1 3.98Å; L37-I73 HydrophobicContact CD1-CG1 3.53Å
38K93.1Very high90.1Very high115 Ų11563.9 Ų63.950%0.531%0.309SS..Hα-helixtrans-64.1-41.7176.8-72.6175.2-179.3-178.80112.6R34 R35 R36 L40 A41 L42R34-K38 WeakPolarHBondContact O-CG 3.37Å; R34-K38 PolarHBondContact O-N 3.49Å; R34-K38 VanDerWaalsContact O-N 3.15Å; R35-K38 PolarHBondContact O-N 2.91Å; R36-K38 VanDerWaalsContact C-N 3.32Å; R36-K38 PolarHBondContact O-N 2.87Å; K38-L40 VanDerWaalsContact C-N 3.31Å; K38-A41 WeakPolarHBondContact O-CB 3.25Å; K38-A41 PolarHBondContact O-N 2.82Å; K38-L42 PolarHBondContact O-N 3.06Å
39S92.3Very high90Very high39 Ų3959 Ų5927%0.27329%0.294SS..Hα-helixtrans-62.9-39.8174.9177.20000111.6R35 R36 L42R35-S39 PolarHBondContact O-N 3.25Å; R36-S39 PolarHBondContact O-N 2.93Å; S39-L42 PolarHBondContact O-N 2.7Å
40L93Very high90.3Very high6 Ų657.1 Ų57.13%0.03128%0.282CS..Hα-helixtrans-64.5-41.6175-178.559.9000111.8R36 L37 K38 L42 R43 L44 Y47 I60 F62 M71 L153R36-L40 WeakPolarHBondContact O-CB 3.24Å; R36-L40 PolarHBondContact O-N 3.46Å; L37-L40 PolarHBondContact O-N 3.02Å; K38-L40 VanDerWaalsContact C-N 3.31Å; L40-L42 VanDerWaalsContact C-N 3.26Å; L40-L42 PolarHBondContact O-N 3.38Å; L40-R43 CarbonylContact O-C 3.49Å; L40-R43 PolarHBondContact O-N 3.15Å; L40-L44 HydrophobicContact CG-CD2 4.47Å; L40-L44 PolarHBondContact O-N 3.39Å; L40-Y47 HydrophobicContact CD1-CD2 3.91Å; L40-Y47 HydrophobicContact CD1-CE2 3.49Å; L40-Y47 VanDerWaalsContact CD1-CE2 3.49Å; L40-I60 HydrophobicContact CD2-CG2 3.93Å; L40-F62 HydrophobicContact CD2-CD1 3.85Å; L40-F62 HydrophobicContact CD2-CE1 4.1Å; L40-M71 HydrophobicContact CB-CE 4Å; L40-M71 HydrophobicContact CD2-CE 3.72Å; L40-M71 HydrophobicContact CG-CE 3.75Å; L40-L153 HydrophobicContact CD1-CD1 3.47Å; L40-L153 VanDerWaalsContact CD1-CD1 3.47Å; L40-L153 HydrophobicContact CD2-CD1 4.02Å; L40-L153 HydrophobicContact CG-CD1 4.4Å
41A93.9Very high90.4Very high4 Ų457.1 Ų57.13%0.03328%0.282CS..Hα-helixtrans-54.5-40.7178.400000112.7V10 G15 L37 K38 R43 L44 M71V10-A41 HydrophobicContact CG1-CB 4.26Å; V10-A41 HydrophobicContact CG2-CB 4.44Å; G15-A41 VanDerWaalsContact CA-O 3.23Å; G15-A41 WeakPolarHBondContact CA-O 3.34Å; L37-A41 PolarHBondContact O-N 2.81Å; K38-A41 WeakPolarHBondContact O-CB 3.25Å; K38-A41 PolarHBondContact O-N 2.82Å; A41-R43 PolarHBondContact O-N 3.15Å; A41-L44 PolarHBondContact O-N 3.24Å; A41-M71 HydrophobicContact CB-CE 4.48Å; A41-M71 HydrophobicContact CB-SD 3.77Å
42L92.9Very high90.5Very high112 Ų11254.1 Ų54.159%0.58627%0.267SS*.THydrogen-bonded Turntrans-66.5-19.6178.3-65.8173000113.8D14 K38 S39 L40D14-L42 WeakPolarHBondContact O-CD2 3.37Å; K38-L42 PolarHBondContact O-N 3.06Å; S39-L42 PolarHBondContact O-N 2.7Å; L40-L42 VanDerWaalsContact C-N 3.26Å; L40-L42 PolarHBondContact O-N 3.38Å
43R90Very high90.5Very high76 Ų7651.3 Ų51.329%0.28725%0.254SS..THydrogen-bonded Turntrans-111.36.2-177.1-64-175.2-67.3173.71.4113.1L40 A41 A45 Q46 Y47L40-R43 CarbonylContact O-C 3.49Å; L40-R43 PolarHBondContact O-N 3.15Å; A41-R43 PolarHBondContact O-N 3.15Å; R43-A45 PolarHBondContact O-N 2.86Å; R43-A45 VanDerWaalsContact O-N 3.15Å; R43-Q46 WeakPolarHBondContact O-CB 3.41Å; R43-Q46 PolarHBondContact O-N 2.94Å; R43-Y47 HydrophobicContact CB-CE2 3.91Å; R43-Y47 VanDerWaalsContact O-CD2 3.27Å; R43-Y47 WeakPolarHBondContact O-CD2 3.46Å
44L90.3Very high90.5Very high1 Ų157.4 Ų57.41%0.00528%0.283CS..G310 helixtrans-56.6-34.2-174.9-78.8173.9000113.9V10 L40 A41 Q46 Y47 F62 A69 M71V10-L44 HydrophobicContact CG2-CD1 3.41Å; V10-L44 VanDerWaalsContact CG2-CD1 3.41Å; L40-L44 HydrophobicContact CG-CD2 4.47Å; L40-L44 PolarHBondContact O-N 3.39Å; A41-L44 PolarHBondContact O-N 3.24Å; L44-Q46 PolarHBondContact O-N 3.23Å; L44-Q46 VanDerWaalsContact O-N 3.09Å; L44-Y47 PolarHBondContact O-N 3.41Å; L44-F62 HydrophobicContact CD2-CB 4.22Å; L44-F62 HydrophobicContact CD2-CD1 4.23Å; L44-F62 HydrophobicContact CD2-CD2 3.42Å; L44-F62 VanDerWaalsContact CD2-CD2 3.42Å; L44-F62 HydrophobicContact CD2-CE1 4.48Å; L44-F62 HydrophobicContact CD2-CE2 3.73Å; L44-F62 HydrophobicContact CD2-CG 3.69Å; L44-F62 HydrophobicContact CD2-CZ 4.25Å; L44-A69 HydrophobicContact CD1-CB 3.71Å; L44-M71 HydrophobicContact CD1-CE 4.48Å; L44-M71 HydrophobicContact CD1-CG 4.43Å; L44-M71 HydrophobicContact CD1-SD 3.89Å; L44-M71 HydrophobicContact CD2-CE 4.31Å
45A89.2Confident90.2Very high68 Ų6856.1 Ų56.156%0.56229%0.289SS*.G310 helixtrans-60.1-17.9176.800000114V12 R43V12-A45 HydrophobicContact CG1-CB 4.26Å; R43-A45 PolarHBondContact O-N 2.86Å; R43-A45 VanDerWaalsContact O-N 3.15Å
46Q86.9Confident89.9Confident151 Ų15154.4 Ų54.471%0.70630%0.298SS*.G310 helixtrans-89.4-14.4179-57.9174.6-7.600113R43 L44R43-Q46 WeakPolarHBondContact O-CB 3.41Å; R43-Q46 PolarHBondContact O-N 2.94Å; L44-Q46 PolarHBondContact O-N 3.23Å; L44-Q46 VanDerWaalsContact O-N 3.09Å
47Y84.7Confident89.8Confident59 Ų5955.6 Ų55.623%0.23131%0.31CS..SBendtrans-104.5156.1-175-64.4-66.8000111.4L40 R43 L44 F62 L153L40-Y47 HydrophobicContact CD1-CD2 3.91Å; L40-Y47 HydrophobicContact CD1-CE2 3.49Å; L40-Y47 VanDerWaalsContact CD1-CE2 3.49Å; R43-Y47 HydrophobicContact CB-CE2 3.91Å; R43-Y47 VanDerWaalsContact O-CD2 3.27Å; R43-Y47 WeakPolarHBondContact O-CD2 3.46Å; L44-Y47 PolarHBondContact O-N 3.41Å; Y47-F62 HydrophobicContact CG-CZ 4.25Å; Y47-L153 HydrophobicContact CD1-CD1 4.41Å; Y47-L153 HydrophobicContact CD1-CD2 3.59Å; Y47-L153 HydrophobicContact CE1-CD1 4.21Å; Y47-L153 HydrophobicContact CE1-CD2 3.29Å; Y47-L153 HydrophobicContact CE1-CG 4.41Å; Y47-L153 HydrophobicContact CE2-CD1 4.42Å; Y47-L153 HydrophobicContact CG-CD2 4.49Å
48P80Confident89.7Confident70 Ų7056 Ų5646%0.45531%0.311SS..  trans-66.2170175.128.7-35000111.8R50 F62 A151P48-R50 PolarHBondContact O-N 2.89Å; P48-F62 WeakPolarHBondContact O-CE2 3.31Å; P48-A151 HydrophobicContact CG-CB 3.5Å
49G85.2Confident89.8Confident32 Ų3250.8 Ų50.833%0.3329%0.289SS..SBendtrans-49.1-24.5-176.800000116.5S63 S64G49-S63 CarbonylContact O-C 3.49Å; G49-S63 VanDerWaalsContact O-CA 3.28Å; G49-S63 WeakPolarHBondContact O-CA 3.36Å; G49-S64 VanDerWaalsContact CA-OG 3.28Å; G49-S64 WeakPolarHBondContact CA-OG 3.33Å; G49-S64 PolarHBondContact O-N 2.88Å; G49-S64 PolarHBondContact O-OG 3.39Å
50R92.1Very high89.9Confident34 Ų3448.9 Ų48.913%0.12828%0.276CS..EExtended strand (participates in β ladder)trans-138.6140.5178.7-71.8179179163.7-0.6110P48 F62 S63 F84 E144 P150 A151P48-R50 PolarHBondContact O-N 2.89Å; R50-F62 WeakPolarHBondContact CA-O 3.46Å; R50-S63 WeakPolarHBondContact CG-OG 3.35Å; R50-F84 HydrophobicContact CB-CD1 4.43Å; R50-F84 HydrophobicContact CB-CE1 3.72Å; R50-F84 HydrophobicContact CB-CZ 4.25Å; R50-F84 HydrophobicContact CG-CD1 4.07Å; R50-F84 HydrophobicContact CG-CE1 3.84Å; R50-E144 IonicContact CZ-OE2 3.86Å; R50-E144 IonicContact NH1-OE2 2.9Å; R50-E144 PolarHBondContact NH1-OE2 3.48Å; R50-E144 IonicContact NH2-OE2 3.4Å; R50-E144 PolarHBondContact NH2-OE2 3.35Å; R50-P150 HydrophobicContact CB-CB 4.25Å; R50-A151 PolarHBondContact O-N 3Å
51G92.2Very high90.1Very high0 Ų048.8 Ų48.80%028%0.276CS..EExtended strand (participates in β ladder)trans-155.8163.6173.700000113.6F62 A151G51-F62 PolarHBondContact N-O 3.46Å; G51-F62 PolarHBondContact O-N 3.26Å; G51-A151 CarbonylContact C-O 3.6Å; G51-A151 WeakPolarHBondContact CA-O 3.32Å
52S93Very high90.2Very high6 Ų648.6 Ų48.64%0.04227%0.274CS..EExtended strand (participates in β ladder)trans-145142-176.8-62.20000110.6I60 H61 F84 A151 V152 L153S52-I60 CarbonylContact C-O 3.57Å; S52-I60 VanDerWaalsContact CA-O 3.25Å; S52-I60 WeakPolarHBondContact CA-O 3.4Å; S52-H61 WeakPolarHBondContact CB-ND1 3.37Å; S52-H61 PolarHBondContact OG-ND1 3.3Å; S52-F84 VanDerWaalsContact OG-CZ 3.31Å; S52-F84 WeakPolarHBondContact OG-CZ 3.32Å; S52-A151 PolarHBondContact N-O 3.12Å; S52-V152 WeakPolarHBondContact O-CA 3.48Å; S52-L153 PolarHBondContact O-N 3.43Å
53A92.1Very high90.3Very high1 Ų143.3 Ų43.31%0.00825%0.246CC..EExtended strand (participates in β ladder)trans-132112.7179.600000107.9S59 I60 L153 L155A53-S59 CarbonylContact O-C 3.57Å; A53-S59 WeakPolarHBondContact O-CA 3.34Å; A53-I60 HydrophobicContact CB-CB 4.26Å; A53-I60 PolarHBondContact N-O 2.92Å; A53-I60 PolarHBondContact O-N 2.89Å; A53-L153 HydrophobicContact CB-CB 4.04Å; A53-L155 HydrophobicContact CB-CD1 3.75Å; A53-L155 HydrophobicContact CB-CD2 3.78Å; A53-L155 HydrophobicContact CB-CG 3.7Å
54E89.9Confident90.4Very high147 Ų14740.6 Ų40.669%0.68724%0.239SC*.EExtended strand (participates in β ladder)trans-99.4152.1-173-65.1-177.3177.900111.3
55G87.2Confident90.5Very high33 Ų3343.5 Ų43.534%0.3425%0.252SS..  trans-155-166.5167.700000110.8F58G55-F58 CarbonylContact C-O 3.6Å; G55-F58 PolarHBondContact N-O 2.94Å
56C84.6Confident90.4Very high114 Ų11443.8 Ų43.877%0.7726%0.262SS*.SBendtrans-63.3-55.5-167.9-600000113.4C76C56-C76 PolarHBondContact O-SG 2.92Å
57D88.9Confident90.6Very high96 Ų9639.1 Ų39.151%0.51324%0.242SC..SBendtrans-104.6-25.5-174.7-61.9-46.1000113.3C76D57-C76 PolarHBondContact O-N 2.95Å; D57-C76 VanDerWaalsContact O-N 3.08Å
58F93Very high91.2Very high11 Ų1136.8 Ų36.85%0.04823%0.233CC..EExtended strand (participates in β ladder)trans-129.2154.3-173.3-56-78.3000111.7F5 Y25 D29 F30 W33 G55 I73 C74F5-F58 AromaticContact CD2-CD1 3.8Å; F5-F58 HydrophobicContact CD2-CD1 3.8Å; F5-F58 AromaticContact CD2-CE1 3.72Å; F5-F58 HydrophobicContact CD2-CE1 3.72Å; F5-F58 AromaticContact CE2-CD1 3.83Å; F5-F58 HydrophobicContact CE2-CD1 3.83Å; F5-F58 AromaticContact CE2-CE1 3.58Å; F5-F58 HydrophobicContact CE2-CE1 3.58Å; F5-F58 HydrophobicContact CG-CE1 4.35Å; F5-F58 HydrophobicContact CZ-CE1 4.14Å; Y25-F58 HydrophobicContact CE1-CZ 4.22Å; D29-F58 HydrophobicContact CB-CE2 4.2Å; F30-F58 HydrophobicContact CB-CE2 4.41Å; F30-F58 HydrophobicContact CB-CZ 4.1Å; F30-F58 HydrophobicContact CD2-CD1 4.29Å; F30-F58 AromaticContact CD2-CE1 3.85Å; F30-F58 HydrophobicContact CD2-CE1 3.85Å; F30-F58 HydrophobicContact CD2-CZ 4.11Å; W33-F58 AromaticContact CD1-CD2 3.45Å; W33-F58 VanDerWaalsContact CD1-CD2 3.45Å; W33-F58 HydrophobicContact CD2-CB 3.71Å; W33-F58 HydrophobicContact CD2-CG 4.49Å; W33-F58 HydrophobicContact CE3-CB 4.13Å; W33-F58 HydrophobicContact CG-CB 3.96Å; W33-F58 HydrophobicContact CG-CD2 4.05Å; W33-F58 HydrophobicContact CG-CG 4.24Å; W33-F58 WeakPolarHBondContact CH2-O 3.49Å; W33-F58 HydrophobicContact CZ2-CB 4.2Å; W33-F58 WeakPolarHBondContact CZ2-O 3.45Å; W33-F58 AromaticContact NE1-CD2 3.66Å; G55-F58 CarbonylContact C-O 3.6Å; G55-F58 PolarHBondContact N-O 2.94Å; F58-I73 HydrophobicContact CB-CG2 4.06Å; F58-I73 HydrophobicContact CD1-CG2 3.96Å; F58-I73 HydrophobicContact CG-CG2 4.27Å; F58-C74 CarbonylContact C-O 3.6Å; F58-C74 WeakPolarHBondContact CA-O 3.29Å
59S93.7Very high91.9Very high6 Ų633.4 Ų33.44%0.04221%0.212CC..EExtended strand (participates in β ladder)trans-129.5146.1168.9600000110.1A53 H61 I73 C74A53-S59 CarbonylContact O-C 3.57Å; A53-S59 WeakPolarHBondContact O-CA 3.34Å; S59-H61 PolarHBondContact OG-NE2 3.3Å; S59-I73 CarbonylContact O-C 3.54Å; S59-I73 WeakPolarHBondContact O-CA 3.49Å; S59-C74 PolarHBondContact N-O 3.42Å; S59-C74 PolarHBondContact O-N 3.16Å
60I95.4Very high92.5Very high0 Ų031.9 Ų31.90%020%0.196CC..EExtended strand (participates in β ladder)trans-103.2131.3168.3-67.1160.6000108.1W33 R36 L37 L40 S52 A53 M71 A72 I73W33-I60 HydrophobicContact CE3-CD1 3.54Å; W33-I60 HydrophobicContact CE3-CG1 3.63Å; W33-I60 HydrophobicContact CZ3-CB 4.5Å; W33-I60 HydrophobicContact CZ3-CD1 3.82Å; W33-I60 HydrophobicContact CZ3-CG1 3.81Å; R36-I60 HydrophobicContact CB-CD1 4.22Å; L37-I60 HydrophobicContact CB-CD1 3.99Å; L37-I60 HydrophobicContact CB-CG1 4.46Å; L37-I60 HydrophobicContact CD1-CG2 4.4Å; L40-I60 HydrophobicContact CD2-CG2 3.93Å; S52-I60 CarbonylContact C-O 3.57Å; S52-I60 VanDerWaalsContact CA-O 3.25Å; S52-I60 WeakPolarHBondContact CA-O 3.4Å; A53-I60 HydrophobicContact CB-CB 4.26Å; A53-I60 PolarHBondContact N-O 2.92Å; A53-I60 PolarHBondContact O-N 2.89Å; I60-M71 HydrophobicContact CG2-CE 4.44Å; I60-A72 WeakPolarHBondContact CA-O 3.45Å; I60-I73 HydrophobicContact CG1-CG1 4.19Å
61H95.9Very high92.8Very high3 Ų330.3 Ų30.31%0.01419%0.19CC..EExtended strand (participates in β ladder)trans-121.7141.9169.4-56.5-80.7000108.9S52 S59 M71 A72 A83 F84 L87S52-H61 WeakPolarHBondContact CB-ND1 3.37Å; S52-H61 PolarHBondContact OG-ND1 3.3Å; S59-H61 PolarHBondContact OG-NE2 3.3Å; H61-M71 CarbonylContact O-C 3.54Å; H61-M71 VanDerWaalsContact O-CA 3.31Å; H61-M71 WeakPolarHBondContact O-CA 3.21Å; H61-A72 PolarHBondContact N-O 3.47Å; H61-A72 PolarHBondContact O-N 3.2Å; H61-A83 HydrophobicContact CB-CB 4.1Å; H61-A83 VanDerWaalsContact CD2-CB 3.47Å; H61-A83 WeakPolarHBondContact CD2-CB 3.26Å; H61-F84 HydrophobicContact CB-CZ 4.48Å; H61-L87 HydrophobicContact CB-CD1 3.95Å
62F96.3Very high93Very high0 Ų030.3 Ų30.30%019%0.19CC..EExtended strand (participates in β ladder)trans-137.1147.5172.669.6-90.2000111.6L40 L44 Y47 P48 R50 G51 C70 M71 F84 L153L40-F62 HydrophobicContact CD2-CD1 3.85Å; L40-F62 HydrophobicContact CD2-CE1 4.1Å; L44-F62 HydrophobicContact CD2-CB 4.22Å; L44-F62 HydrophobicContact CD2-CD1 4.23Å; L44-F62 HydrophobicContact CD2-CD2 3.42Å; L44-F62 VanDerWaalsContact CD2-CD2 3.42Å; L44-F62 HydrophobicContact CD2-CE1 4.48Å; L44-F62 HydrophobicContact CD2-CE2 3.73Å; L44-F62 HydrophobicContact CD2-CG 3.69Å; L44-F62 HydrophobicContact CD2-CZ 4.25Å; Y47-F62 HydrophobicContact CG-CZ 4.25Å; P48-F62 WeakPolarHBondContact O-CE2 3.31Å; R50-F62 WeakPolarHBondContact CA-O 3.46Å; G51-F62 PolarHBondContact N-O 3.46Å; G51-F62 PolarHBondContact O-N 3.26Å; F62-C70 CarbonylContact C-O 3.54Å; F62-C70 VanDerWaalsContact CA-O 3.27Å; F62-C70 WeakPolarHBondContact CA-O 3.22Å; F62-M71 HydrophobicContact CB-CB 4.34Å; F62-M71 HydrophobicContact CB-CE 4.2Å; F62-M71 HydrophobicContact CB-CG 3.83Å; F62-F84 WeakPolarHBondContact O-CE1 3.27Å; F62-L153 HydrophobicContact CE1-CD1 3.68Å; F62-L153 HydrophobicContact CZ-CD1 4.32Å
63S95.3Very high93.1Very high1 Ų130 Ų301%0.00719%0.188CC..EExtended strand (participates in β ladder)trans-136.5121.3173.1-161.60000109G49 R50 F65 A69 C70G49-S63 CarbonylContact O-C 3.49Å; G49-S63 VanDerWaalsContact O-CA 3.28Å; G49-S63 WeakPolarHBondContact O-CA 3.36Å; R50-S63 WeakPolarHBondContact CG-OG 3.35Å; S63-F65 WeakPolarHBondContact OG-CE2 3.45Å; S63-F65 WeakPolarHBondContact OG-CZ 3.45Å; S63-A69 CarbonylContact O-C 3.46Å; S63-A69 VanDerWaalsContact O-CA 3.31Å; S63-A69 WeakPolarHBondContact O-CA 3.39Å; S63-C70 PolarHBondContact N-O 2.93Å; S63-C70 PolarHBondContact O-N 3.28Å
64S93.5Very high93.3Very high19 Ų1930 Ų3013%0.13319%0.188CC..EExtended strand (participates in β ladder)trans-105.8132.8175.853.40000110.8G49G49-S64 VanDerWaalsContact CA-OG 3.28Å; G49-S64 WeakPolarHBondContact CA-OG 3.33Å; G49-S64 PolarHBondContact O-N 2.88Å; G49-S64 PolarHBondContact O-OG 3.39Å
65F90.7Very high93.4Very high62 Ų6223.6 Ų23.627%0.27216%0.159SC..EExtended strand (participates in β ladder)trans-137.2112.2173.2-57.5-89.8000108.1S63 V68 W91S63-F65 WeakPolarHBondContact OG-CE2 3.45Å; S63-F65 WeakPolarHBondContact OG-CZ 3.45Å; F65-V68 PolarHBondContact N-O 3.21Å; F65-V68 PolarHBondContact O-N 3.2Å; F65-V68 VanDerWaalsContact O-O 3.13Å; F65-W91 HydrophobicContact CB-CD2 4.08Å; F65-W91 VanDerWaalsContact CB-CE2 3.46Å; F65-W91 HydrophobicContact CB-CG 4.45Å; F65-W91 HydrophobicContact CB-CH2 4.39Å; F65-W91 HydrophobicContact CB-CZ2 3.64Å; F65-W91 HydrophobicContact CD2-CB 4.36Å; F65-W91 AromaticContact CD2-CD1 3.93Å; F65-W91 HydrophobicContact CD2-CD2 4.02Å; F65-W91 AromaticContact CD2-CG 3.84Å; F65-W91 HydrophobicContact CD2-CG 3.84Å; F65-W91 HydrophobicContact CG-CD2 4.3Å; F65-W91 PolarHBondContact O-NE1 3.33Å
66G88.5Confident93.6Very high75 Ų7525 Ų2577%0.77316%0.163SC*.THydrogen-bonded Turntrans65.8-133.6-17200000112V68G66-V68 VanDerWaalsContact C-N 3.31Å
67D91.4Very high93.8Very high53 Ų5325.4 Ų25.428%0.28315%0.154SC..THydrogen-bonded Turntrans-86.51.8-178.9-162.929.5000113.3R11 V12 R13R11-D67 CarbonylContact C-O 3.51Å; R11-D67 WeakPolarHBondContact CA-O 3.49Å; R11-D67 WeakPolarHBondContact CD-OD2 3.4Å; R11-D67 WeakPolarHBondContact CG-O 3.3Å; V12-D67 PolarHBondContact N-O 2.92Å; R13-D67 IonicContact NH1-OD2 2.89Å
68V95.5Very high93.9Very high9 Ų921.3 Ų21.36%0.05513%0.132CC..EExtended strand (participates in β ladder)trans-119.6134.6-177.1-1790000110.6V9 L18 F65 G66 F94 I103V9-V68 HydrophobicContact CG1-CG1 3.43Å; V9-V68 VanDerWaalsContact CG1-CG1 3.43Å; L18-V68 HydrophobicContact CD1-CG2 4.43Å; F65-V68 PolarHBondContact N-O 3.21Å; F65-V68 PolarHBondContact O-N 3.2Å; F65-V68 VanDerWaalsContact O-O 3.13Å; G66-V68 VanDerWaalsContact C-N 3.31Å; V68-F94 HydrophobicContact CG1-CD1 3.91Å; V68-F94 HydrophobicContact CG1-CE1 4.08Å; V68-F94 HydrophobicContact CG2-CD1 4.49Å; V68-F94 HydrophobicContact CG2-CE1 4.23Å; V68-I103 HydrophobicContact CG2-CD1 4.19Å; V68-I103 HydrophobicContact CG2-CG2 3.89Å
69A96.6Very high93.8Very high0 Ų024 Ų240%015%0.151CC..EExtended strand (participates in β ladder)trans-123141.6171.200000111.5V9 V10 V12 L44 S63V9-A69 CarbonylContact C-O 3.57Å; V9-A69 WeakPolarHBondContact CA-O 2.97Å; V10-A69 HydrophobicContact CG2-CB 3.9Å; V10-A69 PolarHBondContact N-O 3.12Å; V10-A69 PolarHBondContact O-N 3.25Å; V12-A69 HydrophobicContact CG2-CB 3.81Å; L44-A69 HydrophobicContact CD1-CB 3.71Å; S63-A69 CarbonylContact O-C 3.46Å; S63-A69 VanDerWaalsContact O-CA 3.31Å; S63-A69 WeakPolarHBondContact O-CA 3.39Å
70C97.7Very high93.7Very high0 Ų025.7 Ų25.70%017%0.165CC..EExtended strand (participates in β ladder)trans-103139167.9-63.30000108.8C8 F62 S63 L87C8-C70 WeakPolarHBondContact O-CA 2.94Å; F62-C70 CarbonylContact C-O 3.54Å; F62-C70 VanDerWaalsContact CA-O 3.27Å; F62-C70 WeakPolarHBondContact CA-O 3.22Å; S63-C70 PolarHBondContact N-O 2.93Å; S63-C70 PolarHBondContact O-N 3.28Å; C70-L87 HydrophobicContact CB-CB 4.16Å; C70-L87 HydrophobicContact CB-CD2 3.73Å
71M97.5Very high93.5Very high0 Ų026.3 Ų26.30%017%0.17CC..EExtended strand (participates in β ladder)trans-130.8147.5177.3-48.8179.477.600110A7 C8 V10 L37 L40 A41 L44 I60 H61 F62A7-M71 CarbonylContact C-O 3.58Å; A7-M71 VanDerWaalsContact CA-O 3.28Å; A7-M71 WeakPolarHBondContact CA-O 3.32Å; C8-M71 PolarHBondContact N-O 3.46Å; C8-M71 PolarHBondContact O-N 3.35Å; V10-M71 HydrophobicContact CG1-SD 4.38Å; V10-M71 HydrophobicContact CG2-CG 4.4Å; V10-M71 HydrophobicContact CG2-SD 4.09Å; L37-M71 HydrophobicContact CD1-CB 4.09Å; L37-M71 HydrophobicContact CD2-CB 4.42Å; L37-M71 HydrophobicContact CD2-CE 4.29Å; L37-M71 HydrophobicContact CD2-SD 3.96Å; L37-M71 HydrophobicContact CG-CB 4.34Å; L37-M71 HydrophobicContact CG-CE 3.91Å; L37-M71 HydrophobicContact CG-SD 4.21Å; L40-M71 HydrophobicContact CB-CE 4Å; L40-M71 HydrophobicContact CD2-CE 3.72Å; L40-M71 HydrophobicContact CG-CE 3.75Å; A41-M71 HydrophobicContact CB-CE 4.48Å; A41-M71 HydrophobicContact CB-SD 3.77Å; L44-M71 HydrophobicContact CD1-CE 4.48Å; L44-M71 HydrophobicContact CD1-CG 4.43Å; L44-M71 HydrophobicContact CD1-SD 3.89Å; L44-M71 HydrophobicContact CD2-CE 4.31Å; I60-M71 HydrophobicContact CG2-CE 4.44Å; H61-M71 CarbonylContact O-C 3.54Å; H61-M71 VanDerWaalsContact O-CA 3.31Å; H61-M71 WeakPolarHBondContact O-CA 3.21Å; F62-M71 HydrophobicContact CB-CB 4.34Å; F62-M71 HydrophobicContact CB-CE 4.2Å; F62-M71 HydrophobicContact CB-CG 3.83Å
72A96.8Very high93.3Very high0 Ų027.4 Ų27.40%018%0.176CC..EExtended strand (participates in β ladder)trans-140.2147.5177.100000112.2I4 F6 I60 H61 F86 L87I4-A72 HydrophobicContact CG2-CB 4.3Å; F6-A72 CarbonylContact O-C 3.59Å; F6-A72 WeakPolarHBondContact O-CA 3.33Å; I60-A72 WeakPolarHBondContact CA-O 3.45Å; H61-A72 PolarHBondContact N-O 3.47Å; H61-A72 PolarHBondContact O-N 3.2Å; A72-F86 HydrophobicContact CB-CD1 4.25Å; A72-F86 HydrophobicContact CB-CE1 4Å; A72-L87 HydrophobicContact CB-CD2 3.81Å
73I95.7Very high93.1Very high0 Ų027.4 Ų27.40%018%0.176CC..EExtended strand (participates in β ladder)trans-103.4120.1165.2-56.6173.7000107.4F5 F6 F30 W33 R34 L37 F58 S59 I60F5-I73 PolarHBondContact N-O 2.96Å; F6-I73 HydrophobicContact CB-CB 4.33Å; F6-I73 HydrophobicContact CB-CD1 4.45Å; F6-I73 HydrophobicContact CD1-CD1 4.09Å; F6-I73 HydrophobicContact CD1-CG1 4.26Å; F6-I73 PolarHBondContact N-O 3.22Å; F6-I73 PolarHBondContact O-N 3.35Å; F30-I73 HydrophobicContact CD2-CG2 4.25Å; F30-I73 HydrophobicContact CE2-CB 4.21Å; F30-I73 HydrophobicContact CE2-CD1 4.11Å; F30-I73 HydrophobicContact CE2-CG2 3.87Å; F30-I73 HydrophobicContact CZ-CD1 4.47Å; W33-I73 HydrophobicContact CB-CD1 4.23Å; R34-I73 HydrophobicContact CB-CD1 4.45Å; R34-I73 HydrophobicContact CG-CD1 3.72Å; L37-I73 HydrophobicContact CB-CD1 4.44Å; L37-I73 HydrophobicContact CD1-CD1 3.98Å; L37-I73 HydrophobicContact CD1-CG1 3.53Å; F58-I73 HydrophobicContact CB-CG2 4.06Å; F58-I73 HydrophobicContact CD1-CG2 3.96Å; F58-I73 HydrophobicContact CG-CG2 4.27Å; S59-I73 CarbonylContact O-C 3.54Å; S59-I73 WeakPolarHBondContact O-CA 3.49Å; I60-I73 HydrophobicContact CG1-CG1 4.19Å
74C94.4Very high93.1Very high0 Ų027.4 Ų27.40%018%0.176CC..EExtended strand (participates in β ladder)trans-118.2163.3-179.1-56.10000110.3V3 F58 S59 C78V3-C74 CarbonylContact O-C 3.59Å; V3-C74 WeakPolarHBondContact O-CA 3.41Å; F58-C74 CarbonylContact C-O 3.6Å; F58-C74 WeakPolarHBondContact CA-O 3.29Å; S59-C74 PolarHBondContact N-O 3.42Å; S59-C74 PolarHBondContact O-N 3.16Å; C74-C78 HydrophobicContact CB-CB 3.69Å
75S93.2Very high93.1Very high14 Ų1426.7 Ų26.710%0.09817%0.171CC..EExtended strand (participates in β ladder)trans-63.6145.4161.6177.10000109.5V3 Q77 C78V3-S75 PolarHBondContact O-N 3.08Å; S75-Q77 PolarHBondContact O-N 3.43Å; S75-Q77 PolarHBondContact OG-N 3.27Å; S75-C78 WeakPolarHBondContact O-CB 3.29Å; S75-C78 PolarHBondContact O-N 2.97Å
76C91Very high93.3Very high61 Ų6123.7 Ų23.741%0.41216%0.158SC..THydrogen-bonded Turntrans-55.5-19.7171.8610000113.9C56 D57 C78C56-C76 PolarHBondContact O-SG 2.92Å; D57-C76 PolarHBondContact O-N 2.95Å; D57-C76 VanDerWaalsContact O-N 3.08Å; C76-C78 VanDerWaalsContact C-N 3.3Å
77Q89.7Confident93.7Very high123 Ų12320.1 Ų20.158%0.57512%0.121SC*.THydrogen-bonded Turntrans-84.3-0.6175.3-59.617710.700113.3S2 S75 P79S2-Q77 PolarHBondContact OG-O 3.38Å; S75-Q77 PolarHBondContact O-N 3.43Å; S75-Q77 PolarHBondContact OG-N 3.27Å; Q77-P79 WeakPolarHBondContact O-CD 3.04Å
78C89.9Confident93.8Very high10 Ų1019.4 Ų19.47%0.06812%0.116CC..SBendtrans-78.6121.3176.8-169.20000109.9C74 S75 C76 A80C74-C78 HydrophobicContact CB-CB 3.69Å; S75-C78 WeakPolarHBondContact O-CB 3.29Å; S75-C78 PolarHBondContact O-N 2.97Å; C76-C78 VanDerWaalsContact C-N 3.3Å; C78-A80 PolarHBondContact O-N 3.3Å
79P91.1Very high93.8Very high69 Ų6921.1 Ų21.145%0.44813%0.126SC..  trans-59.3134175.4-22.933.5000111Q77 A81 M82 A83Q77-P79 WeakPolarHBondContact O-CD 3.04Å; P79-A81 PolarHBondContact O-N 3.47Å; P79-M82 HydrophobicContact CB-CB 4.26Å; P79-M82 WeakPolarHBondContact O-CA 3.36Å; P79-M82 VanDerWaalsContact O-CB 3.31Å; P79-M82 WeakPolarHBondContact O-CB 3.47Å; P79-M82 PolarHBondContact O-N 2.95Å; P79-A83 PolarHBondContact O-N 3Å; P79-A83 VanDerWaalsContact O-N 3.12Å
80A91.2Very high93.7Very high40 Ų4021.1 Ų21.133%0.33113%0.126SC..Hα-helixtrans-54.4-40.2178.800000112.1C78 M82 A83 F84C78-A80 PolarHBondContact O-N 3.3Å; A80-M82 VanDerWaalsContact C-N 3.27Å; A80-M82 PolarHBondContact O-N 2.96Å; A80-A83 PolarHBondContact O-N 3.32Å; A80-A83 VanDerWaalsContact O-N 3.12Å; A80-F84 HydrophobicContact CB-CD2 4.3Å; A80-F84 HydrophobicContact CB-CE2 4.31Å; A80-F84 WeakPolarHBondContact O-CD2 3.36Å; A80-F84 PolarHBondContact O-N 2.77Å
81A90.7Very high93.7Very high13 Ų1323.1 Ų23.111%0.10713%0.134CC..Hα-helixtrans-57.6-39.4176.600000112.8P79 C85 I141 Q142 L145P79-A81 PolarHBondContact O-N 3.47Å; A81-C85 WeakPolarHBondContact O-CB 3.26Å; A81-C85 PolarHBondContact O-N 3.43Å; A81-I141 HydrophobicContact CB-CG2 4.27Å; A81-I141 WeakPolarHBondContact O-CG2 3.49Å; A81-Q142 HydrophobicContact CB-CB 4.15Å; A81-L145 HydrophobicContact CB-CD1 4.11Å
82M91.9Very high93.6Very high27 Ų2730.3 Ų30.313%0.13316%0.161CC..Hα-helixtrans-66.7-44.5175.5-177.4-174.7175.300111.3P79 A80 C85 F86 F126 L138P79-M82 HydrophobicContact CB-CB 4.26Å; P79-M82 WeakPolarHBondContact O-CA 3.36Å; P79-M82 VanDerWaalsContact O-CB 3.31Å; P79-M82 WeakPolarHBondContact O-CB 3.47Å; P79-M82 PolarHBondContact O-N 2.95Å; A80-M82 VanDerWaalsContact C-N 3.27Å; A80-M82 PolarHBondContact O-N 2.96Å; M82-C85 PolarHBondContact O-N 3.29Å; M82-F86 WeakPolarHBondContact O-CB 3.46Å; M82-F86 PolarHBondContact O-N 3.04Å; M82-F126 HydrophobicContact CE-CB 3.96Å; M82-F126 HydrophobicContact CE-CD1 4.29Å; M82-F126 WeakPolarHBondContact CE-O 3.29Å; M82-F126 HydrophobicContact CG-CD1 3.98Å; M82-L138 HydrophobicContact CB-CD2 4.16Å
83A93.9Very high93.6Very high0 Ų034.3 Ų34.30%018%0.18CC..Hα-helixtrans-61.8-46.4176.700000111.8H61 P79 A80 F86 L87H61-A83 HydrophobicContact CB-CB 4.1Å; H61-A83 VanDerWaalsContact CD2-CB 3.47Å; H61-A83 WeakPolarHBondContact CD2-CB 3.26Å; P79-A83 PolarHBondContact O-N 3Å; P79-A83 VanDerWaalsContact O-N 3.12Å; A80-A83 PolarHBondContact O-N 3.32Å; A80-A83 VanDerWaalsContact O-N 3.12Å; A83-F86 WeakPolarHBondContact O-CB 3.44Å; A83-F86 PolarHBondContact O-N 3.45Å; A83-L87 VanDerWaalsContact O-CG 3.26Å; A83-L87 WeakPolarHBondContact O-CG 3.49Å; A83-L87 PolarHBondContact O-N 3.28Å
84F94Very high93.7Very high0 Ų034.3 Ų34.30%018%0.18CC..Hα-helixtrans-68.1-37.8179-76.7-69.5000113.1R50 S52 H61 F62 A80 F86 L87 E88 I141 L145 P150R50-F84 HydrophobicContact CB-CD1 4.43Å; R50-F84 HydrophobicContact CB-CE1 3.72Å; R50-F84 HydrophobicContact CB-CZ 4.25Å; R50-F84 HydrophobicContact CG-CD1 4.07Å; R50-F84 HydrophobicContact CG-CE1 3.84Å; S52-F84 VanDerWaalsContact OG-CZ 3.31Å; S52-F84 WeakPolarHBondContact OG-CZ 3.32Å; H61-F84 HydrophobicContact CB-CZ 4.48Å; F62-F84 WeakPolarHBondContact O-CE1 3.27Å; A80-F84 HydrophobicContact CB-CD2 4.3Å; A80-F84 HydrophobicContact CB-CE2 4.31Å; A80-F84 WeakPolarHBondContact O-CD2 3.36Å; A80-F84 PolarHBondContact O-N 2.77Å; F84-F86 VanDerWaalsContact C-N 3.32Å; F84-F86 PolarHBondContact O-N 2.85Å; F84-L87 HydrophobicContact CD1-CD1 4.34Å; F84-L87 PolarHBondContact O-N 2.91Å; F84-E88 WeakPolarHBondContact O-CB 3.37Å; F84-E88 PolarHBondContact O-N 3.33Å; F84-I141 HydrophobicContact CB-CG2 3.8Å; F84-L145 HydrophobicContact CB-CD1 4.5Å; F84-L145 HydrophobicContact CD2-CD1 3.79Å; F84-L145 HydrophobicContact CD2-CD2 3.61Å; F84-L145 HydrophobicContact CD2-CG 4.33Å; F84-L145 HydrophobicContact CE2-CD2 3.87Å; F84-L145 HydrophobicContact CG-CD1 4.47Å; F84-L145 HydrophobicContact CG-CD2 4.12Å; F84-P150 HydrophobicContact CE1-CB 4.47Å; F84-P150 HydrophobicContact CE2-CB 3.96Å; F84-P150 HydrophobicContact CE2-CG 3.87Å; F84-P150 HydrophobicContact CZ-CB 3.53Å; F84-P150 HydrophobicContact CZ-CG 3.99Å
85C93.1Very high93.6Very high4 Ų436.4 Ų36.43%0.02719%0.193CC..Hα-helixtrans-63.1-39.4173.5-173.90000111.6A81 M82 E88 T89 F126 L138 I141A81-C85 WeakPolarHBondContact O-CB 3.26Å; A81-C85 PolarHBondContact O-N 3.43Å; M82-C85 PolarHBondContact O-N 3.29Å; C85-E88 PolarHBondContact O-N 2.97Å; C85-T89 WeakPolarHBondContact O-CB 3.35Å; C85-T89 PolarHBondContact O-N 3.34Å; C85-T89 PolarHBondContact O-OG1 3.21Å; C85-F126 HydrophobicContact CB-CE1 3.99Å; C85-F126 HydrophobicContact CB-CZ 4.32Å; C85-L138 HydrophobicContact CB-CD2 3.91Å; C85-I141 HydrophobicContact CB-CG1 4.17Å
86F95.1Very high93.7Very high0 Ų039.9 Ų39.90%022%0.222CC..Hα-helixtrans-61.1-47.8172.5167.6-101.3000112I4 A7 A72 M82 A83 F84 E88 T89 L90 V122 K123 F126I4-F86 HydrophobicContact CD1-CB 3.74Å; I4-F86 HydrophobicContact CD1-CD1 3.79Å; I4-F86 HydrophobicContact CD1-CD2 3.68Å; I4-F86 HydrophobicContact CD1-CE1 4.28Å; I4-F86 HydrophobicContact CD1-CE2 4.2Å; I4-F86 HydrophobicContact CD1-CG 3.45Å; I4-F86 VanDerWaalsContact CD1-CG 3.45Å; I4-F86 HydrophobicContact CD1-CZ 4.45Å; I4-F86 HydrophobicContact CG2-CD1 4.31Å; I4-F86 HydrophobicContact CG2-CE1 3.86Å; I4-F86 HydrophobicContact CG2-CZ 4.03Å; A7-F86 HydrophobicContact CB-CE1 3.6Å; A7-F86 HydrophobicContact CB-CZ 3.6Å; A72-F86 HydrophobicContact CB-CD1 4.25Å; A72-F86 HydrophobicContact CB-CE1 4Å; M82-F86 WeakPolarHBondContact O-CB 3.46Å; M82-F86 PolarHBondContact O-N 3.04Å; A83-F86 WeakPolarHBondContact O-CB 3.44Å; A83-F86 PolarHBondContact O-N 3.45Å; F84-F86 VanDerWaalsContact C-N 3.32Å; F84-F86 PolarHBondContact O-N 2.85Å; F86-E88 PolarHBondContact O-N 3.44Å; F86-T89 PolarHBondContact O-N 3.44Å; F86-L90 HydrophobicContact CD1-CD1 4.15Å; F86-L90 HydrophobicContact CD2-CG 4.49Å; F86-L90 HydrophobicContact CE1-CD1 3.4Å; F86-L90 VanDerWaalsContact CE1-CD1 3.4Å; F86-L90 HydrophobicContact CE1-CG 4.19Å; F86-L90 HydrophobicContact CE2-CD1 3.99Å; F86-L90 HydrophobicContact CE2-CD2 4.33Å; F86-L90 HydrophobicContact CE2-CG 4.03Å; F86-L90 HydrophobicContact CZ-CD1 3.32Å; F86-L90 HydrophobicContact CZ-CD2 4.36Å; F86-L90 HydrophobicContact CZ-CG 3.89Å; F86-L90 PolarHBondContact O-N 3.34Å; F86-V122 HydrophobicContact CD2-CG1 3.73Å; F86-V122 HydrophobicContact CE2-CB 4.29Å; F86-V122 HydrophobicContact CE2-CG1 3.77Å; F86-K123 HydrophobicContact CE2-CB 3.98Å; F86-K123 HydrophobicContact CE2-CG 4.46Å; F86-K123 HydrophobicContact CZ-CB 4.28Å; F86-F126 VanDerWaalsContact CA-CZ 3.42Å; F86-F126 HydrophobicContact CB-CD1 3.73Å; F86-F126 HydrophobicContact CB-CD2 4.31Å; F86-F126 HydrophobicContact CB-CE1 3.69Å; F86-F126 HydrophobicContact CB-CE2 4.28Å; F86-F126 HydrophobicContact CB-CG 4.04Å; F86-F126 HydrophobicContact CB-CZ 3.99Å; F86-F126 HydrophobicContact CD2-CB 4.31Å; F86-F126 AromaticContact CD2-CD2 3.83Å; F86-F126 HydrophobicContact CD2-CD2 3.83Å; F86-F126 HydrophobicContact CD2-CE2 4.26Å; F86-F126 AromaticContact CD2-CG 3.97Å; F86-F126 HydrophobicContact CD2-CG 3.97Å; F86-F126 HydrophobicContact CG-CG 4.48Å; F86-F126 VanDerWaalsContact N-CE1 3.3Å
87L96.4Very high93.9Very high0 Ų039.6 Ų39.60%022%0.221CC..Hα-helixtrans-63.8-39.1179.8-67177.2000112.5H61 C70 A72 A83 F84 L90 W91H61-L87 HydrophobicContact CB-CD1 3.95Å; C70-L87 HydrophobicContact CB-CB 4.16Å; C70-L87 HydrophobicContact CB-CD2 3.73Å; A72-L87 HydrophobicContact CB-CD2 3.81Å; A83-L87 VanDerWaalsContact O-CG 3.26Å; A83-L87 WeakPolarHBondContact O-CG 3.49Å; A83-L87 PolarHBondContact O-N 3.28Å; F84-L87 HydrophobicContact CD1-CD1 4.34Å; F84-L87 PolarHBondContact O-N 2.91Å; L87-L90 PolarHBondContact O-N 2.98Å; L87-W91 WeakPolarHBondContact O-CB 3.49Å; L87-W91 PolarHBondContact O-N 2.98Å
88E94.2Very high94.1Very high37 Ų3735.8 Ų35.817%0.17320%0.202CC..Hα-helixtrans-65.9-43.4175.3-173.4178-15800111.3F84 C85 F86 L90 W91 W92 I141F84-E88 WeakPolarHBondContact O-CB 3.37Å; F84-E88 PolarHBondContact O-N 3.33Å; C85-E88 PolarHBondContact O-N 2.97Å; F86-E88 PolarHBondContact O-N 3.44Å; E88-L90 VanDerWaalsContact C-N 3.34Å; E88-L90 PolarHBondContact O-N 3.28Å; E88-W91 PolarHBondContact O-N 3.43Å; E88-W91 VanDerWaalsContact O-N 3.16Å; E88-W92 PolarHBondContact O-N 3.34Å; E88-I141 WeakPolarHBondContact OE2-CD1 3.39Å
89T95.1Very high94.2Very high46 Ų4639.8 Ų39.828%0.28222%0.222SC..Hα-helixtrans-59.4-45.9175.7-56.10000111.1C85 F86 W91 W92 E93 V122 F126C85-T89 WeakPolarHBondContact O-CB 3.35Å; C85-T89 PolarHBondContact O-N 3.34Å; C85-T89 PolarHBondContact O-OG1 3.21Å; F86-T89 PolarHBondContact O-N 3.44Å; T89-W91 VanDerWaalsContact C-N 3.31Å; T89-W91 PolarHBondContact O-N 3.39Å; T89-W92 PolarHBondContact O-N 3.25Å; T89-E93 WeakPolarHBondContact O-CG 3.43Å; T89-E93 PolarHBondContact O-N 2.98Å; T89-E93 VanDerWaalsContact O-N 3.08Å; T89-V122 HydrophobicContact CG2-CG1 3.81Å; T89-V122 HydrophobicContact CG2-CG2 4.35Å; T89-F126 HydrophobicContact CG2-CE2 4.46Å
90L96.2Very high94.1Very high0 Ų041.4 Ų41.40%023%0.231CC..Hα-helixtrans-60.3-40.6175.5-77-173.9000112.6A7 F86 L87 E88 E93 F94 I119 V122A7-L90 HydrophobicContact CB-CD1 3.89Å; F86-L90 HydrophobicContact CD1-CD1 4.15Å; F86-L90 HydrophobicContact CD2-CG 4.49Å; F86-L90 HydrophobicContact CE1-CD1 3.4Å; F86-L90 VanDerWaalsContact CE1-CD1 3.4Å; F86-L90 HydrophobicContact CE1-CG 4.19Å; F86-L90 HydrophobicContact CE2-CD1 3.99Å; F86-L90 HydrophobicContact CE2-CD2 4.33Å; F86-L90 HydrophobicContact CE2-CG 4.03Å; F86-L90 HydrophobicContact CZ-CD1 3.32Å; F86-L90 HydrophobicContact CZ-CD2 4.36Å; F86-L90 HydrophobicContact CZ-CG 3.89Å; F86-L90 PolarHBondContact O-N 3.34Å; L87-L90 PolarHBondContact O-N 2.98Å; E88-L90 VanDerWaalsContact C-N 3.34Å; E88-L90 PolarHBondContact O-N 3.28Å; L90-E93 PolarHBondContact O-N 3.47Å; L90-F94 VanDerWaalsContact O-CB 3.32Å; L90-F94 WeakPolarHBondContact O-CB 3.36Å; L90-F94 PolarHBondContact O-N 3.46Å; L90-I119 HydrophobicContact CD2-CB 4.35Å; L90-I119 HydrophobicContact CD2-CG1 4.11Å; L90-I119 HydrophobicContact CD2-CG2 4.41Å; L90-V122 HydrophobicContact CD2-CB 3.9Å; L90-V122 HydrophobicContact CD2-CG1 4.06Å; L90-V122 HydrophobicContact CD2-CG2 4.15Å; L90-V122 HydrophobicContact CG-CG1 4.4Å
91W96.4Very high94.1Very high42 Ų4243.8 Ų43.816%0.15924%0.242CC..Hα-helixtrans-64.6-42.9179.7-176.789.9000111.8F65 L87 E88 T89 F94 T95F65-W91 HydrophobicContact CB-CD2 4.08Å; F65-W91 VanDerWaalsContact CB-CE2 3.46Å; F65-W91 HydrophobicContact CB-CG 4.45Å; F65-W91 HydrophobicContact CB-CH2 4.39Å; F65-W91 HydrophobicContact CB-CZ2 3.64Å; F65-W91 HydrophobicContact CD2-CB 4.36Å; F65-W91 AromaticContact CD2-CD1 3.93Å; F65-W91 HydrophobicContact CD2-CD2 4.02Å; F65-W91 AromaticContact CD2-CG 3.84Å; F65-W91 HydrophobicContact CD2-CG 3.84Å; F65-W91 HydrophobicContact CG-CD2 4.3Å; F65-W91 PolarHBondContact O-NE1 3.33Å; L87-W91 WeakPolarHBondContact O-CB 3.49Å; L87-W91 PolarHBondContact O-N 2.98Å; E88-W91 PolarHBondContact O-N 3.43Å; E88-W91 VanDerWaalsContact O-N 3.16Å; T89-W91 VanDerWaalsContact C-N 3.31Å; T89-W91 PolarHBondContact O-N 3.39Å; W91-F94 PolarHBondContact O-N 3.05Å; W91-T95 HydrophobicContact CD2-CG2 4.11Å; W91-T95 HydrophobicContact CH2-CG2 4.25Å; W91-T95 HydrophobicContact CZ2-CG2 3.74Å; W91-T95 WeakPolarHBondContact O-CG2 3.46Å; W91-T95 PolarHBondContact O-N 3.48Å; W91-T95 PolarHBondContact O-OG1 2.91Å
92W95.6Very high94.2Very high150 Ų15045.4 Ų45.457%0.56825%0.251SS*.Hα-helixtrans-62-46.2175.6-77.5117.2000112.2E88 T89 F94 T95 A96E88-W92 PolarHBondContact O-N 3.34Å; T89-W92 PolarHBondContact O-N 3.25Å; W92-F94 VanDerWaalsContact C-N 3.32Å; W92-F94 PolarHBondContact O-N 3.26Å; W92-T95 PolarHBondContact O-OG1 2.83Å; W92-A96 VanDerWaalsContact O-CB 3.24Å; W92-A96 WeakPolarHBondContact O-CB 3.45Å; W92-A96 PolarHBondContact O-N 2.93Å
93E96.9Very high94.2Very high84 Ų8444.3 Ų44.339%0.39325%0.246SC..Hα-helixtrans-63-38.5177.4-69.7-71.5168.600112.1T89 L90 S97 F115 I118 V122T89-E93 WeakPolarHBondContact O-CG 3.43Å; T89-E93 PolarHBondContact O-N 2.98Å; T89-E93 VanDerWaalsContact O-N 3.08Å; L90-E93 PolarHBondContact O-N 3.47Å; E93-S97 WeakPolarHBondContact O-CB 3.33Å; E93-S97 PolarHBondContact O-N 3.32Å; E93-S97 VanDerWaalsContact O-N 3.09Å; E93-S97 PolarHBondContact O-OG 3.18Å; E93-F115 HydrophobicContact CB-CE2 4.11Å; E93-F115 HydrophobicContact CB-CZ 3.89Å; E93-I118 HydrophobicContact CB-CG2 3.85Å; E93-I118 HydrophobicContact CG-CG2 4.11Å; E93-V122 HydrophobicContact CG-CG2 4.49Å
94F96.9Very high94.1Very high0 Ų045.2 Ų45.20%026%0.256CS..Hα-helixtrans-68.6-46.9-179.6-173-100000112V9 L18 V68 L90 W91 W92 A96 S97 Y98 I103 F112 F115V9-F94 HydrophobicContact CB-CD2 4.36Å; V9-F94 HydrophobicContact CB-CE2 4.39Å; V9-F94 HydrophobicContact CG1-CD1 3.83Å; V9-F94 HydrophobicContact CG1-CD2 4.02Å; V9-F94 HydrophobicContact CG1-CE1 3.86Å; V9-F94 HydrophobicContact CG1-CE2 4.07Å; V9-F94 HydrophobicContact CG1-CG 3.91Å; V9-F94 HydrophobicContact CG1-CZ 4Å; V9-F94 HydrophobicContact CG2-CD2 4.16Å; V9-F94 HydrophobicContact CG2-CG 4.42Å; L18-F94 HydrophobicContact CB-CE2 4.41Å; L18-F94 HydrophobicContact CB-CZ 3.91Å; L18-F94 HydrophobicContact CD1-CE1 3.81Å; L18-F94 HydrophobicContact CD1-CZ 3.73Å; L18-F94 HydrophobicContact CG-CZ 4.46Å; V68-F94 HydrophobicContact CG1-CD1 3.91Å; V68-F94 HydrophobicContact CG1-CE1 4.08Å; V68-F94 HydrophobicContact CG2-CD1 4.49Å; V68-F94 HydrophobicContact CG2-CE1 4.23Å; L90-F94 VanDerWaalsContact O-CB 3.32Å; L90-F94 WeakPolarHBondContact O-CB 3.36Å; L90-F94 PolarHBondContact O-N 3.46Å; W91-F94 PolarHBondContact O-N 3.05Å; W92-F94 VanDerWaalsContact C-N 3.32Å; W92-F94 PolarHBondContact O-N 3.26Å; F94-A96 VanDerWaalsContact C-N 3.31Å; F94-A96 PolarHBondContact O-N 2.89Å; F94-S97 PolarHBondContact O-N 3.34Å; F94-S97 VanDerWaalsContact O-N 3.14Å; F94-Y98 AromaticContact CD2-CD2 3.72Å; F94-Y98 HydrophobicContact CD2-CD2 3.72Å; F94-Y98 AromaticContact CD2-CE2 3.99Å; F94-Y98 HydrophobicContact CD2-CE2 3.99Å; F94-Y98 AromaticContact CE2-CD2 3.52Å; F94-Y98 HydrophobicContact CE2-CD2 3.52Å; F94-Y98 AromaticContact CE2-CE2 3.8Å; F94-Y98 HydrophobicContact CE2-CE2 3.8Å; F94-Y98 HydrophobicContact CG-CD2 4.33Å; F94-Y98 AromaticContact CZ-CD2 3.97Å; F94-Y98 HydrophobicContact CZ-CD2 3.97Å; F94-Y98 PolarHBondContact O-N 2.89Å; F94-I103 HydrophobicContact CD1-CD1 4.15Å; F94-I103 HydrophobicContact CE1-CD1 3.51Å; F94-I103 HydrophobicContact CE1-CG1 3.85Å; F94-I103 HydrophobicContact CZ-CD1 4.32Å; F94-I103 HydrophobicContact CZ-CG1 4.23Å; F94-F112 HydrophobicContact CE2-CB 4.15Å; F94-F112 HydrophobicContact CE2-CD2 4.35Å; F94-F112 HydrophobicContact CE2-CG 4.33Å; F94-F112 AromaticContact CZ-CD2 3.93Å; F94-F112 HydrophobicContact CZ-CD2 3.93Å; F94-F112 HydrophobicContact CZ-CE2 4.37Å; F94-F112 HydrophobicContact CZ-CG 4.28Å; F94-F115 VanDerWaalsContact CA-CE2 3.48Å; F94-F115 VanDerWaalsContact CA-CZ 3.48Å; F94-F115 HydrophobicContact CB-CE1 3.95Å; F94-F115 HydrophobicContact CB-CE2 4.03Å; F94-F115 HydrophobicContact CB-CZ 3.59Å; F94-F115 AromaticContact CD2-CD1 3.68Å; F94-F115 HydrophobicContact CD2-CD1 3.68Å; F94-F115 HydrophobicContact CD2-CD2 4.02Å; F94-F115 AromaticContact CD2-CE1 3.77Å; F94-F115 HydrophobicContact CD2-CE1 3.77Å; F94-F115 HydrophobicContact CD2-CE2 4.11Å; F94-F115 AromaticContact CD2-CG 3.83Å; F94-F115 HydrophobicContact CD2-CG 3.83Å; F94-F115 HydrophobicContact CD2-CZ 4Å; F94-F115 HydrophobicContact CE2-CD1 4.4Å; F94-F115 HydrophobicContact CE2-CG 4.39Å; F94-F115 HydrophobicContact CG-CE1 4.35Å; F94-F115 HydrophobicContact CG-CZ 4.32Å
95T93.9Very high94.1Very high45 Ų4552.2 Ų52.228%0.27629%0.292SS..Hα-helixtrans-73.2-22.5179.454.10000113.2W91 W92W91-T95 HydrophobicContact CD2-CG2 4.11Å; W91-T95 HydrophobicContact CH2-CG2 4.25Å; W91-T95 HydrophobicContact CZ2-CG2 3.74Å; W91-T95 WeakPolarHBondContact O-CG2 3.46Å; W91-T95 PolarHBondContact O-N 3.48Å; W91-T95 PolarHBondContact O-OG1 2.91Å; W92-T95 PolarHBondContact O-OG1 2.83Å
96A95.3Very high94.1Very high86 Ų8652.6 Ų52.671%0.71130%0.296SS*.Hα-helixtrans-73.8-29.9167.700000112.7W92 F94W92-A96 VanDerWaalsContact O-CB 3.24Å; W92-A96 WeakPolarHBondContact O-CB 3.45Å; W92-A96 PolarHBondContact O-N 2.93Å; F94-A96 VanDerWaalsContact C-N 3.31Å; F94-A96 PolarHBondContact O-N 2.89Å
97S95Very high94Very high56 Ų5656.5 Ų56.539%0.39232%0.323SS..Hα-helixtrans-86.8-32.1-176.7-60.70000113.7E93 F94E93-S97 WeakPolarHBondContact O-CB 3.33Å; E93-S97 PolarHBondContact O-N 3.32Å; E93-S97 VanDerWaalsContact O-N 3.09Å; E93-S97 PolarHBondContact O-OG 3.18Å; F94-S97 PolarHBondContact O-N 3.34Å; F94-S97 VanDerWaalsContact O-N 3.14Å
98Y94.3Very high93.9Very high42 Ų4264.8 Ų64.817%0.16536%0.355CS..SBendtrans-132.5133-172.4-56.6-71.6000112.1F94 F112 F115F94-Y98 AromaticContact CD2-CD2 3.72Å; F94-Y98 HydrophobicContact CD2-CD2 3.72Å; F94-Y98 AromaticContact CD2-CE2 3.99Å; F94-Y98 HydrophobicContact CD2-CE2 3.99Å; F94-Y98 AromaticContact CE2-CD2 3.52Å; F94-Y98 HydrophobicContact CE2-CD2 3.52Å; F94-Y98 AromaticContact CE2-CE2 3.8Å; F94-Y98 HydrophobicContact CE2-CE2 3.8Å; F94-Y98 HydrophobicContact CG-CD2 4.33Å; F94-Y98 AromaticContact CZ-CD2 3.97Å; F94-Y98 HydrophobicContact CZ-CD2 3.97Å; F94-Y98 PolarHBondContact O-N 2.89Å; Y98-F112 AromaticContact CD1-CD1 3.37Å; Y98-F112 HydrophobicContact CD1-CD1 3.37Å; Y98-F112 AromaticContact CD1-CE1 3.71Å; Y98-F112 HydrophobicContact CD1-CE1 3.71Å; Y98-F112 HydrophobicContact CD1-CG 4.31Å; Y98-F112 HydrophobicContact CD2-CB 4.43Å; Y98-F112 HydrophobicContact CD2-CD1 4.18Å; Y98-F112 HydrophobicContact CD2-CG 4.38Å; Y98-F112 HydrophobicContact CE1-CB 4.26Å; Y98-F112 AromaticContact CE1-CD1 3.45Å; Y98-F112 HydrophobicContact CE1-CD1 3.45Å; Y98-F112 VanDerWaalsContact CE1-CD1 3.45Å; Y98-F112 HydrophobicContact CE1-CE1 4.21Å; Y98-F112 HydrophobicContact CE1-CG 4.25Å; Y98-F112 HydrophobicContact CE2-CB 3.92Å; Y98-F112 HydrophobicContact CE2-CD1 4.24Å; Y98-F112 HydrophobicContact CE2-CG 4.32Å; Y98-F112 AromaticContact CG-CD1 3.76Å; Y98-F112 HydrophobicContact CG-CD1 3.76Å; Y98-F112 HydrophobicContact CG-CE1 4.04Å; Y98-F112 HydrophobicContact CG-CG 4.37Å; Y98-F112 AromaticContact CZ-CD1 3.89Å; Y98-F115 HydrophobicContact CE2-CB 3.86Å; Y98-F115 AromaticContact CE2-CD2 3.71Å; Y98-F115 HydrophobicContact CE2-CD2 3.71Å; Y98-F115 HydrophobicContact CE2-CG 4.02Å
99D90.6Very high94Very high95 Ų9566 Ų6651%0.50837%0.366SS..  trans-70.6148.9178.9-177.531.9000112.2T101 C102 I103D99-T101 PolarHBondContact O-N 3.17Å; D99-T101 WeakPolarHBondContact OD2-CB 3.42Å; D99-T101 WeakPolarHBondContact OD2-CG2 3.47Å; D99-T101 PolarHBondContact OD2-OG1 2.91Å; D99-C102 PolarHBondContact O-N 3.02Å; D99-C102 PolarHBondContact O-SG 3.26Å; D99-I103 WeakPolarHBondContact O-CG1 3.21Å; D99-I103 PolarHBondContact O-N 3.48Å
100T90.6Very high94Very high103 Ų10367.2 Ų67.263%0.63237%0.365SS*.Hα-helixtrans-58.9-33179.5-57.70000111.6G104T100-G104 PolarHBondContact O-N 3.44Å
101T90.9Very high94Very high90 Ų9069.3 Ų69.355%0.55238%0.383SS*.Hα-helixtrans-66.4-44.1178.666.30000112.4D99 G104 L105D99-T101 PolarHBondContact O-N 3.17Å; D99-T101 WeakPolarHBondContact OD2-CB 3.42Å; D99-T101 WeakPolarHBondContact OD2-CG2 3.47Å; D99-T101 PolarHBondContact OD2-OG1 2.91Å; T101-G104 PolarHBondContact O-N 3.07Å; T101-L105 WeakPolarHBondContact O-CG 3.47Å; T101-L105 PolarHBondContact O-N 2.76Å
102C92.6Very high94Very high46 Ų4668.1 Ų68.131%0.31138%0.379SS..Hα-helixtrans-69-36.1-179.978.10000111.6D99 L105 A106D99-C102 PolarHBondContact O-N 3.02Å; D99-C102 PolarHBondContact O-SG 3.26Å; C102-L105 PolarHBondContact O-N 2.89Å; C102-A106 PolarHBondContact O-N 3.37Å; C102-A106 VanDerWaalsContact O-N 3.07Å
103I92.2Very high93.9Very high4 Ų465.9 Ų65.92%0.02138%0.377CS..Hα-helixtrans-62.1-44.3172.5-65.7161.2000110.6R11 L18 V68 F94 D99 L105 A106 F112R11-I103 PolarHBondContact NH1-O 2.84Å; L18-I103 HydrophobicContact CD1-CG2 3.71Å; V68-I103 HydrophobicContact CG2-CD1 4.19Å; V68-I103 HydrophobicContact CG2-CG2 3.89Å; F94-I103 HydrophobicContact CD1-CD1 4.15Å; F94-I103 HydrophobicContact CE1-CD1 3.51Å; F94-I103 HydrophobicContact CE1-CG1 3.85Å; F94-I103 HydrophobicContact CZ-CD1 4.32Å; F94-I103 HydrophobicContact CZ-CG1 4.23Å; D99-I103 WeakPolarHBondContact O-CG1 3.21Å; D99-I103 PolarHBondContact O-N 3.48Å; I103-L105 VanDerWaalsContact C-N 3.34Å; I103-L105 PolarHBondContact O-N 2.97Å; I103-A106 PolarHBondContact O-N 3.4Å; I103-F112 HydrophobicContact CG1-CE2 4.2Å; I103-F112 HydrophobicContact CG1-CZ 4.07Å
104G91.1Very high93.8Very high20 Ų2068.7 Ų68.721%0.20639%0.39CS..Hα-helixtrans-66.7-30.8178.600000114.1R11 R13 T100 T101R11-G104 PolarHBondContact NH1-O 3.42Å; R13-G104 PolarHBondContact NH2-O 3.32Å; T100-G104 PolarHBondContact O-N 3.44Å; T101-G104 PolarHBondContact O-N 3.07Å
105L93.7Very high93.8Very high146 Ų14668.7 Ų68.776%0.76439%0.39SS*.Hα-helixtrans-88.9-12.5179.8-68.6173.7000114T101 C102 I103 S107T101-L105 WeakPolarHBondContact O-CG 3.47Å; T101-L105 PolarHBondContact O-N 2.76Å; C102-L105 PolarHBondContact O-N 2.89Å; I103-L105 VanDerWaalsContact C-N 3.34Å; I103-L105 PolarHBondContact O-N 2.97Å; L105-S107 PolarHBondContact O-N 2.96Å
106A93.2Very high94Very high12 Ų1268.1 Ų68.110%0.09939%0.386CS..  trans-59.4127.8178.300000111.2R11 L16 L18 C102 I103 A111 F112R11-A106 VanDerWaalsContact CZ-O 3.28Å; R11-A106 PolarHBondContact NH1-O 3.5Å; R11-A106 PolarHBondContact NH2-O 3.43Å; L16-A106 HydrophobicContact CD2-CB 4.32Å; L16-A106 WeakPolarHBondContact CD2-O 3.33Å; L18-A106 HydrophobicContact CD2-CB 4.44Å; C102-A106 PolarHBondContact O-N 3.37Å; C102-A106 VanDerWaalsContact O-N 3.07Å; I103-A106 PolarHBondContact O-N 3.4Å; A106-A111 HydrophobicContact CB-CB 3.89Å; A106-F112 HydrophobicContact CB-CE2 4.04Å; A106-F112 HydrophobicContact CB-CZ 4.31Å
107S93.3Very high94Very high82 Ų8268 Ų6857%0.57338%0.379SS*.  trans-116.5-22178.357.20000113L105L105-S107 PolarHBondContact O-N 2.96Å
108R94.5Very high94.1Very high175 Ų17567.2 Ų67.266%0.6637%0.371SS*.SBendtrans-91.9137.3-179-169.2-175.3177.5-141.5-0.9110.9Y110 A111R108-Y110 PolarHBondContact O-N 2.97Å; R108-A111 PolarHBondContact O-N 3.31Å
109P94.9Very high94.2Very high63 Ų6365.2 Ų65.241%0.40936%0.363SS..THydrogen-bonded Turntrans-55.1135.4167-27.836.6000111.8L16 P17L16-P109 HydrophobicContact CD1-CG 4.14Å; P17-P109 HydrophobicContact CG-CB 3.91Å
110Y96.1Very high94.4Very high70 Ų7063.3 Ų63.328%0.27535%0.351SS..THydrogen-bonded Turntrans55.454.1-176.2-47-81.3000111.8P17 L18 A20 R108 F112 L113P17-Y110 HydrophobicContact CB-CD1 4.13Å; P17-Y110 HydrophobicContact CB-CE1 3.7Å; P17-Y110 HydrophobicContact CB-CE2 4.35Å; P17-Y110 HydrophobicContact CG-CD2 4.47Å; P17-Y110 HydrophobicContact CG-CE1 4.34Å; P17-Y110 HydrophobicContact CG-CE2 4.09Å; P17-Y110 PolarHBondContact O-N 2.93Å; L18-Y110 CarbonylContact O-C 3.59Å; L18-Y110 VanDerWaalsContact O-CA 3.31Å; L18-Y110 WeakPolarHBondContact O-CA 3.34Å; A20-Y110 HydrophobicContact CB-CD1 4.23Å; A20-Y110 HydrophobicContact CB-CE1 3.64Å; R108-Y110 PolarHBondContact O-N 2.97Å; Y110-F112 PolarHBondContact O-N 3.44Å; Y110-L113 HydrophobicContact CG-CD2 4.34Å; Y110-L113 VanDerWaalsContact O-CG 3.29Å; Y110-L113 WeakPolarHBondContact O-CG 3.35Å
111A95.6Very high94.6Very high44 Ų4466 Ų6636%0.36435%0.354SS..THydrogen-bonded Turntrans-65.4-20.6175.500000112.8L18 A106 R108L18-A111 PolarHBondContact O-N 2.93Å; A106-A111 HydrophobicContact CB-CB 3.89Å; R108-A111 PolarHBondContact O-N 3.31Å
112F96.2Very high94.8Very high17 Ų1762.3 Ų62.38%0.07533%0.331CS..THydrogen-bonded Turntrans-120.454.8-173.3-52.5-76.3000111.3L18 S19 F94 Y98 I103 A106 Y110 E114 F115L18-F112 HydrophobicContact CB-CD2 3.9Å; L18-F112 HydrophobicContact CB-CE2 4.46Å; L18-F112 HydrophobicContact CD2-CD2 4.18Å; L18-F112 HydrophobicContact CD2-CE2 3.95Å; L18-F112 HydrophobicContact CG-CD2 4.49Å; L18-F112 PolarHBondContact O-N 3.19Å; S19-F112 VanDerWaalsContact CB-O 3.24Å; S19-F112 WeakPolarHBondContact CB-O 3.35Å; S19-F112 PolarHBondContact OG-O 3Å; F94-F112 HydrophobicContact CE2-CB 4.15Å; F94-F112 HydrophobicContact CE2-CD2 4.35Å; F94-F112 HydrophobicContact CE2-CG 4.33Å; F94-F112 AromaticContact CZ-CD2 3.93Å; F94-F112 HydrophobicContact CZ-CD2 3.93Å; F94-F112 HydrophobicContact CZ-CE2 4.37Å; F94-F112 HydrophobicContact CZ-CG 4.28Å; Y98-F112 AromaticContact CD1-CD1 3.37Å; Y98-F112 HydrophobicContact CD1-CD1 3.37Å; Y98-F112 AromaticContact CD1-CE1 3.71Å; Y98-F112 HydrophobicContact CD1-CE1 3.71Å; Y98-F112 HydrophobicContact CD1-CG 4.31Å; Y98-F112 HydrophobicContact CD2-CB 4.43Å; Y98-F112 HydrophobicContact CD2-CD1 4.18Å; Y98-F112 HydrophobicContact CD2-CG 4.38Å; Y98-F112 HydrophobicContact CE1-CB 4.26Å; Y98-F112 AromaticContact CE1-CD1 3.45Å; Y98-F112 HydrophobicContact CE1-CD1 3.45Å; Y98-F112 VanDerWaalsContact CE1-CD1 3.45Å; Y98-F112 HydrophobicContact CE1-CE1 4.21Å; Y98-F112 HydrophobicContact CE1-CG 4.25Å; Y98-F112 HydrophobicContact CE2-CB 3.92Å; Y98-F112 HydrophobicContact CE2-CD1 4.24Å; Y98-F112 HydrophobicContact CE2-CG 4.32Å; Y98-F112 AromaticContact CG-CD1 3.76Å; Y98-F112 HydrophobicContact CG-CD1 3.76Å; Y98-F112 HydrophobicContact CG-CE1 4.04Å; Y98-F112 HydrophobicContact CG-CG 4.37Å; Y98-F112 AromaticContact CZ-CD1 3.89Å; I103-F112 HydrophobicContact CG1-CE2 4.2Å; I103-F112 HydrophobicContact CG1-CZ 4.07Å; A106-F112 HydrophobicContact CB-CE2 4.04Å; A106-F112 HydrophobicContact CB-CZ 4.31Å; Y110-F112 PolarHBondContact O-N 3.44Å; F112-E114 VanDerWaalsContact C-N 3.27Å; F112-E114 PolarHBondContact O-N 3.48Å; F112-F115 WeakPolarHBondContact O-CB 3.36Å; F112-F115 PolarHBondContact O-N 3.4Å
113L94.6Very high94.9Very high103 Ų10360.9 Ų60.954%0.53932%0.32SS..G310 helixtrans-62.2-30.5-176.1-74.8158.3000113.2Y110 F115 D116Y110-L113 HydrophobicContact CG-CD2 4.34Å; Y110-L113 VanDerWaalsContact O-CG 3.29Å; Y110-L113 WeakPolarHBondContact O-CG 3.35Å; L113-F115 PolarHBondContact O-N 3.49Å; L113-F115 VanDerWaalsContact O-N 3.13Å; L113-D116 WeakPolarHBondContact O-CB 3.14Å; L113-D116 PolarHBondContact O-N 3.03Å; L113-D116 VanDerWaalsContact O-N 3.14Å
114E94.8Very high94.9Very high143 Ų14368 Ų6867%0.66835%0.346SS*.G310 helixtrans-62.8-22.8-178.7-60.8111178.900112.9F112 D116 S117F112-E114 VanDerWaalsContact C-N 3.27Å; F112-E114 PolarHBondContact O-N 3.48Å; E114-D116 PolarHBondContact O-N 3.36Å; E114-S117 PolarHBondContact O-N 3.16Å; E114-S117 PolarHBondContact O-OG 2.88Å
115F96.8Very high94.9Very high0 Ų070.1 Ų70.10%035%0.351CS..G310 helixtrans-66.6-16.2178.2-162.7-105.6000113.8V9 E93 F94 Y98 F112 L113 S117 I118 I119V9-F115 HydrophobicContact CG2-CD1 4.29Å; V9-F115 HydrophobicContact CG2-CE1 4.05Å; E93-F115 HydrophobicContact CB-CE2 4.11Å; E93-F115 HydrophobicContact CB-CZ 3.89Å; F94-F115 VanDerWaalsContact CA-CE2 3.48Å; F94-F115 VanDerWaalsContact CA-CZ 3.48Å; F94-F115 HydrophobicContact CB-CE1 3.95Å; F94-F115 HydrophobicContact CB-CE2 4.03Å; F94-F115 HydrophobicContact CB-CZ 3.59Å; F94-F115 AromaticContact CD2-CD1 3.68Å; F94-F115 HydrophobicContact CD2-CD1 3.68Å; F94-F115 HydrophobicContact CD2-CD2 4.02Å; F94-F115 AromaticContact CD2-CE1 3.77Å; F94-F115 HydrophobicContact CD2-CE1 3.77Å; F94-F115 HydrophobicContact CD2-CE2 4.11Å; F94-F115 AromaticContact CD2-CG 3.83Å; F94-F115 HydrophobicContact CD2-CG 3.83Å; F94-F115 HydrophobicContact CD2-CZ 4Å; F94-F115 HydrophobicContact CE2-CD1 4.4Å; F94-F115 HydrophobicContact CE2-CG 4.39Å; F94-F115 HydrophobicContact CG-CE1 4.35Å; F94-F115 HydrophobicContact CG-CZ 4.32Å; Y98-F115 HydrophobicContact CE2-CB 3.86Å; Y98-F115 AromaticContact CE2-CD2 3.71Å; Y98-F115 HydrophobicContact CE2-CD2 3.71Å; Y98-F115 HydrophobicContact CE2-CG 4.02Å; F112-F115 WeakPolarHBondContact O-CB 3.36Å; F112-F115 PolarHBondContact O-N 3.4Å; L113-F115 PolarHBondContact O-N 3.49Å; L113-F115 VanDerWaalsContact O-N 3.13Å; F115-S117 PolarHBondContact O-N 3.09Å; F115-I118 HydrophobicContact CD2-CB 4.08Å; F115-I118 HydrophobicContact CD2-CD1 3.64Å; F115-I118 HydrophobicContact CD2-CG1 4.37Å; F115-I118 HydrophobicContact CD2-CG2 4.47Å; F115-I118 HydrophobicContact CE2-CB 3.89Å; F115-I118 HydrophobicContact CE2-CD1 3.65Å; F115-I118 HydrophobicContact CE2-CG1 4.36Å; F115-I118 HydrophobicContact CE2-CG2 3.78Å; F115-I118 HydrophobicContact CZ-CB 4.23Å; F115-I118 HydrophobicContact CZ-CG2 3.85Å; F115-I118 PolarHBondContact O-N 3.33Å; F115-I119 HydrophobicContact CD1-CD1 3.76Å; F115-I119 HydrophobicContact CD1-CG1 3.54Å; F115-I119 HydrophobicContact CE1-CD1 4.22Å; F115-I119 HydrophobicContact CE1-CG1 3.63Å; F115-I119 WeakPolarHBondContact O-CG1 3.28Å; F115-I119 PolarHBondContact O-N 2.92Å
116D96.9Very high94.8Very high33 Ų3363.7 Ų63.718%0.17632%0.317CS..Hα-helixtrans-52.5-39.2173.3179.627.6000111.5S21 T22 L113 E114 I118 I119 Q120S21-D116 VanDerWaalsContact CA-OD1 3.28Å; S21-D116 WeakPolarHBondContact CA-OD1 3.21Å; T22-D116 VanDerWaalsContact CB-OD2 3.23Å; T22-D116 WeakPolarHBondContact CB-OD2 3.35Å; T22-D116 PolarHBondContact N-OD1 3.46Å; T22-D116 PolarHBondContact OG1-OD2 3.27Å; L113-D116 WeakPolarHBondContact O-CB 3.14Å; L113-D116 PolarHBondContact O-N 3.03Å; L113-D116 VanDerWaalsContact O-N 3.14Å; E114-D116 PolarHBondContact O-N 3.36Å; D116-I118 VanDerWaalsContact C-N 3.3Å; D116-I118 PolarHBondContact O-N 2.9Å; D116-I119 PolarHBondContact O-N 3.32Å; D116-I119 VanDerWaalsContact O-N 3.17Å; D116-Q120 WeakPolarHBondContact O-CB 3.24Å; D116-Q120 VanDerWaalsContact O-CG 3.26Å; D116-Q120 WeakPolarHBondContact O-CG 3.29Å; D116-Q120 PolarHBondContact O-N 2.83Å; D116-Q120 WeakPolarHBondContact OD1-CG 3.34Å; D116-Q120 PolarHBondContact OD1-NE2 3.29Å
117S96.3Very high94.7Very high83 Ų8364.6 Ų64.658%0.5832%0.32SS*.Hα-helixtrans-58.1-40.2177.464.20000113.3E114 F115 K121E114-S117 PolarHBondContact O-N 3.16Å; E114-S117 PolarHBondContact O-OG 2.88Å; F115-S117 PolarHBondContact O-N 3.09Å; S117-K121 WeakPolarHBondContact O-CB 3.29Å; S117-K121 PolarHBondContact O-N 3.43Å; S117-K121 VanDerWaalsContact O-N 3.12Å
118I96.6Very high94.4Very high40 Ų4068.7 Ų68.721%0.20532%0.324CS..Hα-helixtrans-73-44.1177.1-64.6169.3000109.7E93 F115 D116 Q120 K121 V122E93-I118 HydrophobicContact CB-CG2 3.85Å; E93-I118 HydrophobicContact CG-CG2 4.11Å; F115-I118 HydrophobicContact CD2-CB 4.08Å; F115-I118 HydrophobicContact CD2-CD1 3.64Å; F115-I118 HydrophobicContact CD2-CG1 4.37Å; F115-I118 HydrophobicContact CD2-CG2 4.47Å; F115-I118 HydrophobicContact CE2-CB 3.89Å; F115-I118 HydrophobicContact CE2-CD1 3.65Å; F115-I118 HydrophobicContact CE2-CG1 4.36Å; F115-I118 HydrophobicContact CE2-CG2 3.78Å; F115-I118 HydrophobicContact CZ-CB 4.23Å; F115-I118 HydrophobicContact CZ-CG2 3.85Å; F115-I118 PolarHBondContact O-N 3.33Å; D116-I118 VanDerWaalsContact C-N 3.3Å; D116-I118 PolarHBondContact O-N 2.9Å; I118-Q120 VanDerWaalsContact C-N 3.28Å; I118-Q120 PolarHBondContact O-N 3.29Å; I118-K121 PolarHBondContact O-N 3.45Å; I118-K121 VanDerWaalsContact O-N 3.15Å; I118-V122 HydrophobicContact CG2-CG2 4.22Å; I118-V122 WeakPolarHBondContact O-CG2 3.35Å; I118-V122 PolarHBondContact O-N 3.34Å
119I96.9Very high93.6Very high0 Ų062.2 Ų62.20%030%0.304CS..Hα-helixtrans-55.2-47.2176-62.2170.9000110.3A7 L90 F115 D116 K121 V122 K123A7-I119 HydrophobicContact CB-CG2 3.79Å; L90-I119 HydrophobicContact CD2-CB 4.35Å; L90-I119 HydrophobicContact CD2-CG1 4.11Å; L90-I119 HydrophobicContact CD2-CG2 4.41Å; F115-I119 HydrophobicContact CD1-CD1 3.76Å; F115-I119 HydrophobicContact CD1-CG1 3.54Å; F115-I119 HydrophobicContact CE1-CD1 4.22Å; F115-I119 HydrophobicContact CE1-CG1 3.63Å; F115-I119 WeakPolarHBondContact O-CG1 3.28Å; F115-I119 PolarHBondContact O-N 2.92Å; D116-I119 PolarHBondContact O-N 3.32Å; D116-I119 VanDerWaalsContact O-N 3.17Å; I119-K121 PolarHBondContact O-N 2.9Å; I119-V122 PolarHBondContact O-N 3.26Å; I119-K123 WeakPolarHBondContact O-CB 3.48Å; I119-K123 PolarHBondContact O-N 2.92Å
120Q95Very high92.1Very high55 Ų5562.6 Ų62.626%0.25731%0.308SS..Hα-helixtrans-63.1-42.1179.1-67.7-67.1-7.600112.1T22 D23 D116 I118 K123 W124T22-Q120 PolarHBondContact O-NE2 2.86Å; D23-Q120 PolarHBondContact OD1-NE2 2.93Å; D116-Q120 WeakPolarHBondContact O-CB 3.24Å; D116-Q120 VanDerWaalsContact O-CG 3.26Å; D116-Q120 WeakPolarHBondContact O-CG 3.29Å; D116-Q120 PolarHBondContact O-N 2.83Å; D116-Q120 WeakPolarHBondContact OD1-CG 3.34Å; D116-Q120 PolarHBondContact OD1-NE2 3.29Å; I118-Q120 VanDerWaalsContact C-N 3.28Å; I118-Q120 PolarHBondContact O-N 3.29Å; Q120-K123 PolarHBondContact O-N 2.92Å; Q120-W124 VanDerWaalsContact O-CB 3.3Å; Q120-W124 WeakPolarHBondContact O-CB 3.5Å; Q120-W124 PolarHBondContact O-N 3.49Å
121K94.7Very high90.5Very high159 Ų15963.1 Ų63.169%0.69132%0.322SS*.Hα-helixtrans-61.8-48.7176.9-176.8-174.8174.8-168.70111.8S117 I118 I119 W124 H125S117-K121 WeakPolarHBondContact O-CB 3.29Å; S117-K121 PolarHBondContact O-N 3.43Å; S117-K121 VanDerWaalsContact O-N 3.12Å; I118-K121 PolarHBondContact O-N 3.45Å; I118-K121 VanDerWaalsContact O-N 3.15Å; I119-K121 PolarHBondContact O-N 2.9Å; K121-W124 PolarHBondContact O-N 3.44Å; K121-H125 PolarHBondContact O-N 2.9Å
122V94.5Very high88.8Confident13 Ų1364.2 Ų64.28%0.07933%0.327CS..Hα-helixtrans-65.2-44.5178.8179.70000110F86 T89 L90 E93 I118 I119 W124 H125 F126F86-V122 HydrophobicContact CD2-CG1 3.73Å; F86-V122 HydrophobicContact CE2-CB 4.29Å; F86-V122 HydrophobicContact CE2-CG1 3.77Å; T89-V122 HydrophobicContact CG2-CG1 3.81Å; T89-V122 HydrophobicContact CG2-CG2 4.35Å; L90-V122 HydrophobicContact CD2-CB 3.9Å; L90-V122 HydrophobicContact CD2-CG1 4.06Å; L90-V122 HydrophobicContact CD2-CG2 4.15Å; L90-V122 HydrophobicContact CG-CG1 4.4Å; E93-V122 HydrophobicContact CG-CG2 4.49Å; I118-V122 HydrophobicContact CG2-CG2 4.22Å; I118-V122 WeakPolarHBondContact O-CG2 3.35Å; I118-V122 PolarHBondContact O-N 3.34Å; I119-V122 PolarHBondContact O-N 3.26Å; V122-W124 VanDerWaalsContact C-N 3.34Å; V122-W124 PolarHBondContact O-N 3.34Å; V122-H125 WeakPolarHBondContact O-CB 3.26Å; V122-H125 PolarHBondContact O-N 3.27Å; V122-H125 VanDerWaalsContact O-N 3.15Å; V122-F126 HydrophobicContact CG1-CD2 3.9Å; V122-F126 HydrophobicContact CG1-CE2 3.87Å; V122-F126 WeakPolarHBondContact O-CD2 3.21Å; V122-F126 PolarHBondContact O-N 3.1Å
123K94.2Very high87.2Confident16 Ų1670.4 Ų70.47%0.0736%0.356CS..Hα-helixtrans-61-41.9178.2-168-174.781.6-155.10112.1I4 D23 F86 I119 Q120 H125 F126 N127I4-K123 HydrophobicContact CB-CG 4.11Å; I4-K123 HydrophobicContact CG2-CD 4.38Å; I4-K123 HydrophobicContact CG2-CG 4.07Å; D23-K123 IonicContact OD1-NZ 2.61Å; D23-K123 PolarHBondContact OD1-NZ 2.7Å; D23-K123 IonicContact OD2-NZ 2.73Å; D23-K123 PolarHBondContact OD2-NZ 3.38Å; F86-K123 HydrophobicContact CE2-CB 3.98Å; F86-K123 HydrophobicContact CE2-CG 4.46Å; F86-K123 HydrophobicContact CZ-CB 4.28Å; I119-K123 WeakPolarHBondContact O-CB 3.48Å; I119-K123 PolarHBondContact O-N 2.92Å; Q120-K123 PolarHBondContact O-N 2.92Å; K123-H125 VanDerWaalsContact C-N 3.35Å; K123-F126 PolarHBondContact O-N 2.82Å; K123-N127 WeakPolarHBondContact O-CB 3.49Å; K123-N127 PolarHBondContact O-N 3.33Å
124W92.4Very high86.1Confident154 Ų15466.7 Ų66.758%0.58334%0.336SS*.Hα-helixtrans-62-43.4175.3-175.192.6000111.5Q120 K121 V122 F126 N127 Y128 V129Q120-W124 VanDerWaalsContact O-CB 3.3Å; Q120-W124 WeakPolarHBondContact O-CB 3.5Å; Q120-W124 PolarHBondContact O-N 3.49Å; K121-W124 PolarHBondContact O-N 3.44Å; V122-W124 VanDerWaalsContact C-N 3.34Å; V122-W124 PolarHBondContact O-N 3.34Å; W124-F126 PolarHBondContact O-N 2.91Å; W124-N127 PolarHBondContact O-N 3.36Å; W124-Y128 AromaticContact CD1-CD2 3.39Å; W124-Y128 AromaticContact CD1-CE2 3.67Å; W124-Y128 HydrophobicContact CD2-CD2 4.19Å; W124-Y128 AromaticContact CG-CD2 3.83Å; W124-Y128 HydrophobicContact CG-CD2 3.83Å; W124-Y128 HydrophobicContact CG-CE2 4.4Å; W124-Y128 AromaticContact NE1-CD2 3.49Å; W124-Y128 AromaticContact NE1-CE2 3.96Å; W124-Y128 WeakPolarHBondContact O-CD2 3.4Å; W124-Y128 PolarHBondContact O-N 3.17Å; W124-V129 HydrophobicContact CE3-CG2 4.25Å; W124-V129 HydrophobicContact CH2-CG2 4.26Å; W124-V129 HydrophobicContact CZ3-CG2 3.64Å
125H91.7Very high85Confident65 Ų6564.9 Ų64.930%0.30133%0.328SS..Hα-helixtrans-59.4-48.6177.7-175.277.4000111.5K121 V122 K123 V129 M134K121-H125 PolarHBondContact O-N 2.9Å; V122-H125 WeakPolarHBondContact O-CB 3.26Å; V122-H125 PolarHBondContact O-N 3.27Å; V122-H125 VanDerWaalsContact O-N 3.15Å; K123-H125 VanDerWaalsContact C-N 3.35Å; H125-V129 WeakPolarHBondContact O-CB 3.38Å; H125-V129 PolarHBondContact O-N 3.22Å; H125-M134 WeakPolarHBondContact CD2-CE 3.49Å; H125-M134 WeakPolarHBondContact NE2-CE 3.42Å
126F91.5Very high83.7Confident10 Ų1069.8 Ų69.84%0.04436%0.361CS..Hα-helixtrans-66.5-39.1178.2-83.7-103.2000112.9I4 M82 C85 F86 T89 V122 K123 W124 M134I4-F126 HydrophobicContact CD1-CB 3.92Å; I4-F126 HydrophobicContact CD1-CG 4.45Å; M82-F126 HydrophobicContact CE-CB 3.96Å; M82-F126 HydrophobicContact CE-CD1 4.29Å; M82-F126 WeakPolarHBondContact CE-O 3.29Å; M82-F126 HydrophobicContact CG-CD1 3.98Å; C85-F126 HydrophobicContact CB-CE1 3.99Å; C85-F126 HydrophobicContact CB-CZ 4.32Å; F86-F126 VanDerWaalsContact CA-CZ 3.42Å; F86-F126 HydrophobicContact CB-CD1 3.73Å; F86-F126 HydrophobicContact CB-CD2 4.31Å; F86-F126 HydrophobicContact CB-CE1 3.69Å; F86-F126 HydrophobicContact CB-CE2 4.28Å; F86-F126 HydrophobicContact CB-CG 4.04Å; F86-F126 HydrophobicContact CB-CZ 3.99Å; F86-F126 HydrophobicContact CD2-CB 4.31Å; F86-F126 AromaticContact CD2-CD2 3.83Å; F86-F126 HydrophobicContact CD2-CD2 3.83Å; F86-F126 HydrophobicContact CD2-CE2 4.26Å; F86-F126 AromaticContact CD2-CG 3.97Å; F86-F126 HydrophobicContact CD2-CG 3.97Å; F86-F126 HydrophobicContact CG-CG 4.48Å; F86-F126 VanDerWaalsContact N-CE1 3.3Å; T89-F126 HydrophobicContact CG2-CE2 4.46Å; V122-F126 HydrophobicContact CG1-CD2 3.9Å; V122-F126 HydrophobicContact CG1-CE2 3.87Å; V122-F126 WeakPolarHBondContact O-CD2 3.21Å; V122-F126 PolarHBondContact O-N 3.1Å; K123-F126 PolarHBondContact O-N 2.82Å; W124-F126 PolarHBondContact O-N 2.91Å; F126-M134 HydrophobicContact CD1-CE 4Å; F126-M134 HydrophobicContact CD1-SD 3.7Å; F126-M134 HydrophobicContact CD2-CE 3.82Å; F126-M134 HydrophobicContact CD2-SD 4.49Å; F126-M134 HydrophobicContact CE1-CE 3.75Å; F126-M134 HydrophobicContact CE1-SD 3.13Å; F126-M134 WeakPolarHBondContact CE1-SD 3.44Å; F126-M134 HydrophobicContact CE2-CE 3.55Å; F126-M134 HydrophobicContact CE2-SD 4.03Å; F126-M134 HydrophobicContact CG-CE 4.05Å; F126-M134 HydrophobicContact CG-SD 4.36Å; F126-M134 HydrophobicContact CZ-CE 3.51Å; F126-M134 HydrophobicContact CZ-SD 3.31Å; F126-M134 WeakPolarHBondContact CZ-SD 3.38Å
127N91.6Very high82.8Confident31 Ų3171.4 Ų71.417%0.16638%0.375CS..Hα-helixtrans-75.5-28.6-176.8-75.1-14.1000114.4I4 K123 W124I4-N127 PolarHBondContact N-OD1 3.44Å; I4-N127 PolarHBondContact O-ND2 3.46Å; K123-N127 WeakPolarHBondContact O-CB 3.49Å; K123-N127 PolarHBondContact O-N 3.33Å; W124-N127 PolarHBondContact O-N 3.36Å
128Y87Confident82.1Confident169 Ų16968.9 Ų68.966%0.66336%0.355SS*.Hα-helixtrans-124.8-21.3-168.9-61.3-72.3000115.3W124W124-Y128 AromaticContact CD1-CD2 3.39Å; W124-Y128 AromaticContact CD1-CE2 3.67Å; W124-Y128 HydrophobicContact CD2-CD2 4.19Å; W124-Y128 AromaticContact CG-CD2 3.83Å; W124-Y128 HydrophobicContact CG-CD2 3.83Å; W124-Y128 HydrophobicContact CG-CE2 4.4Å; W124-Y128 AromaticContact NE1-CD2 3.49Å; W124-Y128 AromaticContact NE1-CE2 3.96Å; W124-Y128 WeakPolarHBondContact O-CD2 3.4Å; W124-Y128 PolarHBondContact O-N 3.17Å
129V78.2Confident81.4Confident38 Ų3872.3 Ų72.323%0.2337%0.37CS..SBendtrans-87.1133.5178.7-176.20000108.9W124 H125 S131W124-V129 HydrophobicContact CE3-CG2 4.25Å; W124-V129 HydrophobicContact CH2-CG2 4.26Å; W124-V129 HydrophobicContact CZ3-CG2 3.64Å; H125-V129 WeakPolarHBondContact O-CB 3.38Å; H125-V129 PolarHBondContact O-N 3.22Å; V129-S131 PolarHBondContact O-N 3.46Å
130S63.3Low80.7Confident71 Ų7178 Ų7850%0.49739%0.394SS..  trans-56.3136.1-175.556.20000111.6S132 Q133S130-S132 PolarHBondContact O-N 2.99Å; S130-S132 PolarHBondContact OG-OG 3.01Å; S130-Q133 PolarHBondContact O-N 2.97Å
131S61.6Low80Confident81 Ų8175.4 Ų75.457%0.56638%0.382SS*.G310 helixtrans-51.8-22.2178.553.10000114.2V129 Q133 M134 E135V129-S131 PolarHBondContact O-N 3.46Å; S131-Q133 PolarHBondContact O-N 3.43Å; S131-M134 CarbonylContact O-C 3.46Å; S131-M134 WeakPolarHBondContact O-CA 3.48Å; S131-M134 PolarHBondContact O-N 3.16Å; S131-E135 PolarHBondContact O-N 3.38Å
132S59.9Low79.5Confident68 Ų6872.5 Ų72.548%0.47637%0.371SS..G310 helixtrans-56-29.5177.957.50000114.9S130 M134S130-S132 PolarHBondContact O-N 2.99Å; S130-S132 PolarHBondContact OG-OG 3.01Å; S132-M134 PolarHBondContact O-N 3.31Å
133Q63.1Low78.8Confident147 Ų14777.8 Ų77.869%0.68740%0.395SS*.G310 helixtrans-78.5-12.4176.1-67.8-170.3-3.400113.1S130 S131S130-Q133 PolarHBondContact O-N 2.97Å; S131-Q133 PolarHBondContact O-N 3.43Å
134M71.4Confident78.2Confident25 Ų2579.4 Ų79.412%0.12340%0.403CS..SBendtrans-118.23.2-170.5-150.4177.1-79.600112.7H125 F126 S131 S132 C136 S137 L138H125-M134 WeakPolarHBondContact CD2-CE 3.49Å; H125-M134 WeakPolarHBondContact NE2-CE 3.42Å; F126-M134 HydrophobicContact CD1-CE 4Å; F126-M134 HydrophobicContact CD1-SD 3.7Å; F126-M134 HydrophobicContact CD2-CE 3.82Å; F126-M134 HydrophobicContact CD2-SD 4.49Å; F126-M134 HydrophobicContact CE1-CE 3.75Å; F126-M134 HydrophobicContact CE1-SD 3.13Å; F126-M134 WeakPolarHBondContact CE1-SD 3.44Å; F126-M134 HydrophobicContact CE2-CE 3.55Å; F126-M134 HydrophobicContact CE2-SD 4.03Å; F126-M134 HydrophobicContact CG-CE 4.05Å; F126-M134 HydrophobicContact CG-SD 4.36Å; F126-M134 HydrophobicContact CZ-CE 3.51Å; F126-M134 HydrophobicContact CZ-SD 3.31Å; F126-M134 WeakPolarHBondContact CZ-SD 3.38Å; S131-M134 CarbonylContact O-C 3.46Å; S131-M134 WeakPolarHBondContact O-CA 3.48Å; S131-M134 PolarHBondContact O-N 3.16Å; S132-M134 PolarHBondContact O-N 3.31Å; M134-C136 VanDerWaalsContact C-N 3.35Å; M134-C136 PolarHBondContact O-N 2.9Å; M134-S137 PolarHBondContact O-N 2.64Å; M134-S137 VanDerWaalsContact O-N 3.1Å; M134-L138 HydrophobicContact CB-CD1 4.12Å; M134-L138 HydrophobicContact CB-CG 4.24Å; M134-L138 HydrophobicContact CG-CD1 4.47Å; M134-L138 HydrophobicContact CG-CG 4.12Å; M134-L138 WeakPolarHBondContact O-CB 3.46Å; M134-L138 WeakPolarHBondContact O-CG 3.43Å; M134-L138 PolarHBondContact O-N 3.33Å; M134-L138 HydrophobicContact SD-CG 4.42Å
135E70.6Confident77.7Confident104 Ų10473.2 Ų73.249%0.48638%0.381SS..Hα-helixtrans-51.8-48.9-174.3-75.1176.5176.800112.1S131 S137 L138 E139S131-E135 PolarHBondContact O-N 3.38Å; E135-S137 PolarHBondContact O-N 2.92Å; E135-L138 PolarHBondContact O-N 3.44Å; E135-E139 WeakPolarHBondContact O-CB 3.24Å; E135-E139 VanDerWaalsContact O-CG 3.24Å; E135-E139 WeakPolarHBondContact O-CG 3.38Å; E135-E139 PolarHBondContact O-N 3.35Å
136C71.2Confident77.1Confident104 Ų10477.4 Ų77.470%0.70340%0.399SS*.Hα-helixtrans-61-41.7179.9-620000113.4M134 K140M134-C136 VanDerWaalsContact C-N 3.35Å; M134-C136 PolarHBondContact O-N 2.9Å; C136-K140 WeakPolarHBondContact O-CB 3.36Å; C136-K140 PolarHBondContact O-N 3.09Å; C136-K140 VanDerWaalsContact O-N 3.12Å
137S77.5Confident76.5Confident66 Ų6684.3 Ų84.346%0.46244%0.435SS..Hα-helixtrans-72-38.4178.9-61.40000111.6M134 E135 I141M134-S137 PolarHBondContact O-N 2.64Å; M134-S137 VanDerWaalsContact O-N 3.1Å; E135-S137 PolarHBondContact O-N 2.92Å; S137-I141 WeakPolarHBondContact O-CG1 3.24Å; S137-I141 PolarHBondContact O-N 3.29Å
138L81.3Confident76Confident30 Ų3089.4 Ų89.416%0.15746%0.458CS..Hα-helixtrans-66.5-42.1176.2-72.3175.7000111.7M82 C85 M134 E135 I141 Q142M82-L138 HydrophobicContact CB-CD2 4.16Å; C85-L138 HydrophobicContact CB-CD2 3.91Å; M134-L138 HydrophobicContact CB-CD1 4.12Å; M134-L138 HydrophobicContact CB-CG 4.24Å; M134-L138 HydrophobicContact CG-CD1 4.47Å; M134-L138 HydrophobicContact CG-CG 4.12Å; M134-L138 WeakPolarHBondContact O-CB 3.46Å; M134-L138 WeakPolarHBondContact O-CG 3.43Å; M134-L138 PolarHBondContact O-N 3.33Å; M134-L138 HydrophobicContact SD-CG 4.42Å; E135-L138 PolarHBondContact O-N 3.44Å; L138-I141 PolarHBondContact O-N 3.06Å; L138-Q142 WeakPolarHBondContact O-CB 3.42Å; L138-Q142 PolarHBondContact O-N 3.35Å
139E81.1Confident75.8Confident113 Ų11386 Ų8653%0.52846%0.456SS..Hα-helixtrans-61.6-47.8176.1-76.8175.9179.100111E135 I141 Q142 E143E135-E139 WeakPolarHBondContact O-CB 3.24Å; E135-E139 VanDerWaalsContact O-CG 3.24Å; E135-E139 WeakPolarHBondContact O-CG 3.38Å; E135-E139 PolarHBondContact O-N 3.35Å; E139-I141 PolarHBondContact O-N 3.49Å; E139-Q142 WeakPolarHBondContact O-CB 3.4Å; E139-Q142 PolarHBondContact O-N 2.85Å; E139-Q142 VanDerWaalsContact O-N 3.16Å; E139-E143 WeakPolarHBondContact O-CG 3.23Å; E139-E143 PolarHBondContact O-N 3.15Å
140K82Confident76Confident118 Ų11885.4 Ų85.451%0.51345%0.453SS..Hα-helixtrans-58.2-48.4176.3-175.2-173.6173.7-157.90111.5C136 Q142 E143 E144C136-K140 WeakPolarHBondContact O-CB 3.36Å; C136-K140 PolarHBondContact O-N 3.09Å; C136-K140 VanDerWaalsContact O-N 3.12Å; K140-Q142 VanDerWaalsContact C-N 3.3Å; K140-Q142 PolarHBondContact O-N 3.17Å; K140-E143 PolarHBondContact O-N 3.14Å; K140-E144 VanDerWaalsContact CE-OE1 3.28Å; K140-E144 WeakPolarHBondContact CE-OE1 3.3Å; K140-E144 IonicContact NZ-OE1 3.84Å; K140-E144 WeakPolarHBondContact O-CG 3.2Å; K140-E144 PolarHBondContact O-N 3.12Å
141I81.8Confident77Confident1 Ų183.3 Ų83.31%0.00544%0.44CS..Hα-helixtrans-65.1-37.1178-69.7-69.5000111.1A81 F84 C85 E88 S137 L138 E139 E144 L145A81-I141 HydrophobicContact CB-CG2 4.27Å; A81-I141 WeakPolarHBondContact O-CG2 3.49Å; F84-I141 HydrophobicContact CB-CG2 3.8Å; C85-I141 HydrophobicContact CB-CG1 4.17Å; E88-I141 WeakPolarHBondContact OE2-CD1 3.39Å; S137-I141 WeakPolarHBondContact O-CG1 3.24Å; S137-I141 PolarHBondContact O-N 3.29Å; L138-I141 PolarHBondContact O-N 3.06Å; E139-I141 PolarHBondContact O-N 3.49Å; I141-E144 PolarHBondContact O-N 2.86Å; I141-L145 HydrophobicContact CG2-CD1 3.81Å; I141-L145 HydrophobicContact CG2-CG 4.19Å; I141-L145 WeakPolarHBondContact O-CB 3.34Å; I141-L145 WeakPolarHBondContact O-CG 3.17Å; I141-L145 PolarHBondContact O-N 3.19Å
142Q82.9Confident78.1Confident98 Ų9885.3 Ų85.346%0.45845%0.449SS..Hα-helixtrans-65.8-37.8176.4-176.3172.7-1500112.1A81 L138 E139 K140 K146A81-Q142 HydrophobicContact CB-CB 4.15Å; L138-Q142 WeakPolarHBondContact O-CB 3.42Å; L138-Q142 PolarHBondContact O-N 3.35Å; E139-Q142 WeakPolarHBondContact O-CB 3.4Å; E139-Q142 PolarHBondContact O-N 2.85Å; E139-Q142 VanDerWaalsContact O-N 3.16Å; K140-Q142 VanDerWaalsContact C-N 3.3Å; K140-Q142 PolarHBondContact O-N 3.17Å; Q142-K146 WeakPolarHBondContact O-CG 3.42Å; Q142-K146 PolarHBondContact O-N 3.3Å; Q142-K146 VanDerWaalsContact O-N 3.13Å
143E81.4Confident79.2Confident124 Ų12483.1 Ų83.158%0.57943%0.432SS*.Hα-helixtrans-66-45.3171.4-72.1-177.6168.800111.6E139 K140 L145 K146 L147E139-E143 WeakPolarHBondContact O-CG 3.23Å; E139-E143 PolarHBondContact O-N 3.15Å; K140-E143 PolarHBondContact O-N 3.14Å; E143-L145 VanDerWaalsContact C-N 3.32Å; E143-L145 PolarHBondContact O-N 3.13Å; E143-K146 WeakPolarHBondContact O-CB 3.28Å; E143-K146 PolarHBondContact O-N 3.32Å; E143-K146 VanDerWaalsContact O-N 3.14Å; E143-L147 WeakPolarHBondContact O-CG 3.41Å; E143-L147 PolarHBondContact O-N 3.3Å
144E80.1Confident79.7Confident50 Ų5081.4 Ų81.423%0.23443%0.431CS..Hα-helixtrans-58.9-42.2175.2-75179.7-166.300112.1R50 K140 I141 K146 L147 Q148R50-E144 IonicContact CZ-OE2 3.86Å; R50-E144 IonicContact NH1-OE2 2.9Å; R50-E144 PolarHBondContact NH1-OE2 3.48Å; R50-E144 IonicContact NH2-OE2 3.4Å; R50-E144 PolarHBondContact NH2-OE2 3.35Å; K140-E144 VanDerWaalsContact CE-OE1 3.28Å; K140-E144 WeakPolarHBondContact CE-OE1 3.3Å; K140-E144 IonicContact NZ-OE1 3.84Å; K140-E144 WeakPolarHBondContact O-CG 3.2Å; K140-E144 PolarHBondContact O-N 3.12Å; I141-E144 PolarHBondContact O-N 2.86Å; E144-K146 VanDerWaalsContact C-N 3.3Å; E144-K146 PolarHBondContact O-N 3.46Å; E144-L147 PolarHBondContact O-N 2.78Å; E144-Q148 PolarHBondContact O-N 3.23Å
145L81.8Confident79.3Confident24 Ų2481.6 Ų81.613%0.12643%0.433CS..Hα-helixtrans-69.1-27.5178.1-69169.8000112.6A81 F84 I141 E143 Q148 P149 P150A81-L145 HydrophobicContact CB-CD1 4.11Å; F84-L145 HydrophobicContact CB-CD1 4.5Å; F84-L145 HydrophobicContact CD2-CD1 3.79Å; F84-L145 HydrophobicContact CD2-CD2 3.61Å; F84-L145 HydrophobicContact CD2-CG 4.33Å; F84-L145 HydrophobicContact CE2-CD2 3.87Å; F84-L145 HydrophobicContact CG-CD1 4.47Å; F84-L145 HydrophobicContact CG-CD2 4.12Å; I141-L145 HydrophobicContact CG2-CD1 3.81Å; I141-L145 HydrophobicContact CG2-CG 4.19Å; I141-L145 WeakPolarHBondContact O-CB 3.34Å; I141-L145 WeakPolarHBondContact O-CG 3.17Å; I141-L145 PolarHBondContact O-N 3.19Å; E143-L145 VanDerWaalsContact C-N 3.32Å; E143-L145 PolarHBondContact O-N 3.13Å; L145-Q148 CarbonylContact O-C 3.56Å; L145-P149 WeakPolarHBondContact O-CA 3.36Å; L145-P150 HydrophobicContact CD2-CG 4.35Å
146K80.7Confident78.5Confident154 Ų15484.6 Ų84.667%0.6745%0.447SS*.Hα-helixtrans-70.4-38.1170.8-74.2171.9-176.3174.30111.4Q142 E143 E144Q142-K146 WeakPolarHBondContact O-CG 3.42Å; Q142-K146 PolarHBondContact O-N 3.3Å; Q142-K146 VanDerWaalsContact O-N 3.13Å; E143-K146 WeakPolarHBondContact O-CB 3.28Å; E143-K146 PolarHBondContact O-N 3.32Å; E143-K146 VanDerWaalsContact O-N 3.14Å; E144-K146 VanDerWaalsContact C-N 3.3Å; E144-K146 PolarHBondContact O-N 3.46Å
147L78.2Confident77.3Confident155 Ų15585.7 Ų85.781%0.81245%0.445SS*.Hα-helixtrans-76-38.8179.2-67.7171.4000112.1E143 E144E143-L147 WeakPolarHBondContact O-CG 3.41Å; E143-L147 PolarHBondContact O-N 3.3Å; E144-L147 PolarHBondContact O-N 2.78Å
148Q80Confident75.9Confident138 Ų13884.4 Ų84.465%0.64544%0.435SS*.SBendtrans-137.188.1-177.6-170.6174.2-11.600109.8E144 L145E144-Q148 PolarHBondContact O-N 3.23Å; L145-Q148 CarbonylContact O-C 3.56Å
149P82.8Confident73.9Confident96 Ų9690.4 Ų90.462%0.62347%0.467SS*.PPolyproline II helixtrans-64.8146.5179.725.7-33.3000111.1L145L145-P149 WeakPolarHBondContact O-CA 3.36Å
150P83.3Confident72Confident27 Ų2790.4 Ų90.418%0.17548%0.475CS..PPolyproline II helixtrans-66.7149.1176.629.5-33.8000110.3R50 F84 L145 V152R50-P150 HydrophobicContact CB-CB 4.25Å; F84-P150 HydrophobicContact CE1-CB 4.47Å; F84-P150 HydrophobicContact CE2-CB 3.96Å; F84-P150 HydrophobicContact CE2-CG 3.87Å; F84-P150 HydrophobicContact CZ-CB 3.53Å; F84-P150 HydrophobicContact CZ-CG 3.99Å; L145-P150 HydrophobicContact CD2-CG 4.35Å; P150-V152 PolarHBondContact O-N 3Å
151A84.3Confident69.9Low26 Ų2689.2 Ų89.222%0.21549%0.487CS..EExtended strand (participates in β ladder)trans-61121.8171.400000110.2P48 R50 G51 S52P48-A151 HydrophobicContact CG-CB 3.5Å; R50-A151 PolarHBondContact O-N 3Å; G51-A151 CarbonylContact C-O 3.6Å; G51-A151 WeakPolarHBondContact CA-O 3.32Å; S52-A151 PolarHBondContact N-O 3.12Å
152V84.9Confident67.8Low123 Ų12396.9 Ų96.975%0.74553%0.528SS*.EExtended strand (participates in β ladder)trans-82.8120.2174.9-178.60000108.2S52 P150S52-V152 WeakPolarHBondContact O-CA 3.48Å; P150-V152 PolarHBondContact O-N 3Å
153L82.8Confident65.5Low23 Ų2394.2 Ų94.212%0.1253%0.527CS..  trans-105122179.9-56.9-176.7000110L40 Y47 S52 A53 F62 L155L40-L153 HydrophobicContact CD1-CD1 3.47Å; L40-L153 VanDerWaalsContact CD1-CD1 3.47Å; L40-L153 HydrophobicContact CD2-CD1 4.02Å; L40-L153 HydrophobicContact CG-CD1 4.4Å; Y47-L153 HydrophobicContact CD1-CD1 4.41Å; Y47-L153 HydrophobicContact CD1-CD2 3.59Å; Y47-L153 HydrophobicContact CE1-CD1 4.21Å; Y47-L153 HydrophobicContact CE1-CD2 3.29Å; Y47-L153 HydrophobicContact CE1-CG 4.41Å; Y47-L153 HydrophobicContact CE2-CD1 4.42Å; Y47-L153 HydrophobicContact CG-CD2 4.49Å; S52-L153 PolarHBondContact O-N 3.43Å; A53-L153 HydrophobicContact CB-CB 4.04Å; F62-L153 HydrophobicContact CE1-CD1 3.68Å; F62-L153 HydrophobicContact CZ-CD1 4.32Å; L153-L155 PolarHBondContact O-N 2.85Å
154T72.9Confident63.3Low111 Ų11195.1 Ų95.168%0.68154%0.541SS*.  trans-73.7119.6165.62.70000108.6E156T154-E156 PolarHBondContact O-N 3.02Å; T154-E156 VanDerWaalsContact O-N 3.14Å
155L63Low61.2Low29 Ų29101.2 Ų101.215%0.15257%0.571CS.*G310 helixtrans-779.4-178.6-73.1166.1000113.8W33 R36 A53 L153 D157 T158W33-L155 HydrophobicContact CE3-CD1 4.28Å; W33-L155 HydrophobicContact CH2-CD1 3.26Å; W33-L155 HydrophobicContact CZ2-CD1 4.17Å; W33-L155 HydrophobicContact CZ3-CD1 3.34Å; R36-L155 HydrophobicContact CB-CD2 4.46Å; A53-L155 HydrophobicContact CB-CD1 3.75Å; A53-L155 HydrophobicContact CB-CD2 3.78Å; A53-L155 HydrophobicContact CB-CG 3.7Å; L153-L155 PolarHBondContact O-N 2.85Å; L155-D157 VanDerWaalsContact C-N 3.34Å; L155-D157 PolarHBondContact O-N 2.91Å; L155-T158 PolarHBondContact O-OG1 3.29Å
156E54.7Low58.9Low167 Ų167108 Ų10878%0.7861%0.607SS**G310 helixtrans-82.2-6.5-174.5-62.3-166.415200114T154 T158T154-E156 PolarHBondContact O-N 3.02Å; T154-E156 VanDerWaalsContact O-N 3.14Å; E156-T158 PolarHBondContact O-N 2.99Å
157D46.4Very low56.9Low126 Ų126103.9 Ų103.967%0.67461%0.608SS**G310 helixtrans-92.119.4176.2-74.6-29.5000114.4L155L155-D157 VanDerWaalsContact C-N 3.34Å; L155-D157 PolarHBondContact O-N 2.91Å
158T46.6Very low54.8Low40 Ų40104.7 Ų104.725%0.24561%0.608CS.*G310 helixtrans-99.9-3.6-176.4-3.20000115.6L155 E156L155-T158 PolarHBondContact O-OG1 3.29Å; E156-T158 PolarHBondContact O-N 2.99Å
159D40.6Very low53Low155 Ų155104.4 Ų104.483%0.82962%0.616SS**SBendtrans-105.68.6-179.9-74.1-32.1000114.6
160V39.7Very low50.5Low113 Ų113105.1 Ų105.169%0.68562%0.62SS**  trans-118.770.2178.1-163.90000111
161A39.4Very low48.3Very low93 Ų93111.8 Ų111.877%0.76965%0.651SS**  trans-137.422.4168.800000113.9
162N37.8Very low45.8Very low163 Ų163118.3 Ų118.387%0.87268%0.677SS**SBendtrans-111.311.7169.6-100.91.1000114.3
163G34.7Very low43.7Very low42 Ų42117.3 Ų117.343%0.43367%0.667SS.*SBendtrans176.4133170.500000113
164V33.7Very low41.4Very low143 Ų143123.2 Ų123.287%0.86769%0.694SS**  trans77.479.3161.2-159.30000116.3
165M37.8Very low39.8Very low177 Ų177122.5 Ų122.587%0.87269%0.691SS**  trans-160.194.2134.2-160.488.979.900110G167M165-G167 PolarHBondContact O-N 2.86Å
166N32.9Very low38.8Very low167 Ų167123.4 Ų123.489%0.89370%0.703SS**  trans-65.3108.2161-83.7-20.5000108.5
167G38.9Very low38.1Very low67 Ų67118.1 Ų118.169%0.69168%0.683SS**  trans-158.391.9173.700000109.9M165 T169M165-G167 PolarHBondContact O-N 2.86Å; G167-T169 PolarHBondContact O-N 3.09Å
168H34.5Very low37.9Very low172 Ų172118 Ų11880%0.79668%0.682SS**  trans-61.8124-174-75.8-90.2000113.7
169T40.3Very low37.8Very low133 Ų133121.6 Ų121.682%0.81670%0.695SS**  -144.7106.4128.3-35.30000106.7G167 M171G167-T169 PolarHBondContact O-N 3.09Å; T169-M171 PolarHBondContact O-N 2.76Å
170P31.7Very low38.3Very low110 Ų110124 Ų12471%0.71469%0.692SS**  trans-78.790.9-176.432.2-29.1000107.4H172P170-H172 VanDerWaalsContact C-N 3.29Å; P170-H172 PolarHBondContact O-N 3.14Å; P170-H172 VanDerWaalsContact O-N 3.09Å
171M36.8Very low39.1Very low168 Ų168120.2 Ų120.283%0.82867%0.668SS**  trans-72.4101.3155.1-122.7-175.4-174.900105.4T169 L173T169-M171 PolarHBondContact O-N 2.76Å; M171-L173 PolarHBondContact O-N 2.99Å
172H32.3Very low40.4Very low163 Ų163119.3 Ų119.376%0.75565%0.647SS**  trans-61.977.5175.1-170.6-77.8000108.8P170 E174P170-H172 VanDerWaalsContact C-N 3.29Å; P170-H172 PolarHBondContact O-N 3.14Å; P170-H172 VanDerWaalsContact O-N 3.09Å; H172-E174 PolarHBondContact O-N 3.48Å
173L40.4Very low41.9Very low102 Ų102116.2 Ų116.253%0.53464%0.636SS.*  trans-73.388.6166.1-146.584000105.3D14 M171 P175D14-L173 HydrophobicContact CB-CD1 3.68Å; D14-L173 HydrophobicContact CB-CD2 4.26Å; D14-L173 HydrophobicContact CB-CG 4.37Å; M171-L173 PolarHBondContact O-N 2.99Å; L173-P175 WeakPolarHBondContact O-CD 3.3Å
174E34.7Very low43.8Very low147 Ų147116.9 Ų116.969%0.68763%0.632SS**  trans-53.7110.7172.8-158.1-179.2163.400106.4H172 A176H172-E174 PolarHBondContact O-N 3.48Å; E174-A176 PolarHBondContact O-N 3.28Å
175P38.6Very low46.2Very low96 Ų96113 Ų11362%0.62361%0.608SS**  trans-64.4117.4178.925.8-28.2000105L173 P177L173-P175 WeakPolarHBondContact O-CD 3.3Å; P175-P177 VanDerWaalsContact O-CD 3.3Å; P175-P177 WeakPolarHBondContact O-CD 3.44Å
176A41.3Very low48.4Very low48 Ų48108.6 Ų108.640%0.39760%0.6SS.*  trans-47.5116.4175.400000107.3E174 N178E174-A176 PolarHBondContact O-N 3.28Å; A176-N178 PolarHBondContact O-N 2.97Å
177P41.1Very low51.1Low56 Ų56104.8 Ų104.836%0.36458%0.579SS.*  trans-66107.8-168.122.7-33.1000107.6P175 F179P175-P177 VanDerWaalsContact O-CD 3.3Å; P175-P177 WeakPolarHBondContact O-CD 3.44Å; P177-F179 HydrophobicContact CB-CD1 4.13Å; P177-F179 HydrophobicContact CB-CD2 3.7Å; P177-F179 HydrophobicContact CB-CE1 3.79Å; P177-F179 HydrophobicContact CB-CE2 3.35Å; P177-F179 HydrophobicContact CB-CG 4.1Å; P177-F179 HydrophobicContact CB-CZ 3.38Å; P177-F179 HydrophobicContact CG-CD2 3.77Å; P177-F179 HydrophobicContact CG-CE1 4.39Å; P177-F179 HydrophobicContact CG-CE2 3.13Å; P177-F179 HydrophobicContact CG-CZ 3.5Å; P177-F179 VanDerWaalsContact CG-CZ 3.5Å; P177-F179 WeakPolarHBondContact O-CD2 3.31Å; P177-F179 PolarHBondContact O-N 3Å
178N42.1Very low53.3Low124 Ų124101.6 Ų101.666%0.66355%0.546SS*.  trans-73.574.1169.4-73.7-61.5000106.8A176 R180A176-N178 PolarHBondContact O-N 2.97Å; N178-R180 PolarHBondContact O-N 3.19Å; N178-R180 VanDerWaalsContact O-N 3.1Å
179F44.7Very low55.9Low115 Ų11597.5 Ų97.550%0.50453%0.529SS..EExtended strand (participates in β ladder)trans-65109.4176.2-68-64000108.3P177 L294P177-F179 HydrophobicContact CB-CD1 4.13Å; P177-F179 HydrophobicContact CB-CD2 3.7Å; P177-F179 HydrophobicContact CB-CE1 3.79Å; P177-F179 HydrophobicContact CB-CE2 3.35Å; P177-F179 HydrophobicContact CB-CG 4.1Å; P177-F179 HydrophobicContact CB-CZ 3.38Å; P177-F179 HydrophobicContact CG-CD2 3.77Å; P177-F179 HydrophobicContact CG-CE1 4.39Å; P177-F179 HydrophobicContact CG-CE2 3.13Å; P177-F179 HydrophobicContact CG-CZ 3.5Å; P177-F179 VanDerWaalsContact CG-CZ 3.5Å; P177-F179 WeakPolarHBondContact O-CD2 3.31Å; P177-F179 PolarHBondContact O-N 3Å; F179-L294 HydrophobicContact CB-CB 4.35Å; F179-L294 HydrophobicContact CB-CD1 4.18Å; F179-L294 HydrophobicContact CB-CD2 4.13Å; F179-L294 HydrophobicContact CB-CG 4.46Å; F179-L294 HydrophobicContact CD1-CB 3.75Å; F179-L294 HydrophobicContact CD1-CD1 3.93Å; F179-L294 HydrophobicContact CD1-CG 4.41Å; F179-L294 HydrophobicContact CD2-CD1 4.41Å; F179-L294 HydrophobicContact CE1-CB 4.42Å; F179-L294 HydrophobicContact CE1-CD1 4.38Å; F179-L294 HydrophobicContact CG-CB 4.33Å; F179-L294 HydrophobicContact CG-CD1 3.95Å
180R50.5Low58.4Low205 Ų20595.3 Ų95.377%0.77451%0.512SS*.EExtended strand (participates in β ladder)trans-102.2134.4166.3-159.4175-168.21802.6106.7N178 E182 Q295N178-R180 PolarHBondContact O-N 3.19Å; N178-R180 VanDerWaalsContact O-N 3.1Å; R180-E182 PolarHBondContact O-N 3.17Å; R180-Q295 PolarHBondContact N-O 2.95Å; R180-Q295 PolarHBondContact O-N 3.18Å; R180-Q295 VanDerWaalsContact O-O 3.09Å
181M57.8Low61.3Low34 Ų3490.3 Ų90.317%0.16748%0.48CS..EExtended strand (participates in β ladder)trans-61.8136.8169.5-71.4-159.6-170.400109.5Y244 R292 L294M181-Y244 VanDerWaalsContact CE-CB 3.42Å; M181-Y244 HydrophobicContact CE-CD2 4.44Å; M181-Y244 HydrophobicContact CE-CG 4.44Å; M181-R292 VanDerWaalsContact SD-CZ 3.57Å; M181-L294 HydrophobicContact CG-CD2 4.2Å
182E65Low63.9Low74 Ų7484.1 Ų84.135%0.34645%0.45SS..PPolyproline II helixtrans-51.1139.8170.8-168-179.3173.500109.6R180 R292R180-E182 PolarHBondContact O-N 3.17Å; E182-R292 PolarHBondContact O-NE 3.19Å; E182-R292 VanDerWaalsContact O-NE 3.11Å; E182-R292 PolarHBondContact O-NH2 2.88Å
183P70.2Confident66.9Low98 Ų9881.2 Ų81.264%0.63644%0.439SS*.PPolyproline II helixtrans-51.5145.5174.921.8-33.8000111.2T185P183-T185 PolarHBondContact O-N 2.58Å
184V75.1Confident69.5Low56 Ų5678.3 Ų78.334%0.33942%0.423SS..PPolyproline II helixtrans-63.5121.7-177.1177.60000109.3I189 Y241V184-I189 HydrophobicContact CB-CG1 4.49Å; V184-I189 HydrophobicContact CG1-CG1 3.54Å; V184-Y241 HydrophobicContact CG1-CE1 3.8Å; V184-Y241 HydrophobicContact CG2-CE1 4.11Å
185T82.6Confident72.2Confident61 Ų6171.3 Ų71.337%0.37439%0.391SS..PPolyproline II helixtrans-70156.4175.5630000110.6P183 L187 G188 I189P183-T185 PolarHBondContact O-N 2.58Å; T185-L187 PolarHBondContact O-N 3.22Å; T185-G188 CarbonylContact O-C 3.52Å; T185-G188 VanDerWaalsContact O-CA 3.29Å; T185-G188 WeakPolarHBondContact O-CA 3.41Å; T185-G188 PolarHBondContact O-N 3.22Å; T185-G188 PolarHBondContact OG1-N 3.29Å; T185-G188 VanDerWaalsContact OG1-N 3.16Å; T185-I189 PolarHBondContact O-N 3.05Å
186A85.7Confident74.9Confident84 Ų8471.1 Ų71.169%0.69438%0.383SS*.Hα-helixtrans-56.2-37.3177.100000112.7G188 I189 L190A186-G188 VanDerWaalsContact C-N 3.32Å; A186-I189 PolarHBondContact O-N 3.46Å; A186-L190 PolarHBondContact O-N 2.74Å
187L88.4Confident77.5Confident87 Ų8772.7 Ų72.746%0.45538%0.384SS..Hα-helixtrans-66.5-34.6174.3-17261.5000112T185 L190 S191T185-L187 PolarHBondContact O-N 3.22Å; L187-L190 HydrophobicContact CD1-CD2 4.33Å; L187-L190 PolarHBondContact O-N 3.11Å; L187-S191 WeakPolarHBondContact O-CB 3.32Å; L187-S191 PolarHBondContact O-N 3Å
188G86.2Confident80Confident0 Ų070.1 Ų70.10%037%0.367CS..Hα-helixtrans-61.5-45.2170.500000113.4T185 A186 S191 L192 Y241T185-G188 CarbonylContact O-C 3.52Å; T185-G188 VanDerWaalsContact O-CA 3.29Å; T185-G188 WeakPolarHBondContact O-CA 3.41Å; T185-G188 PolarHBondContact O-N 3.22Å; T185-G188 PolarHBondContact OG1-N 3.29Å; T185-G188 VanDerWaalsContact OG1-N 3.16Å; A186-G188 VanDerWaalsContact C-N 3.32Å; G188-S191 PolarHBondContact O-N 2.97Å; G188-L192 WeakPolarHBondContact O-CB 3.48Å; G188-L192 PolarHBondContact O-N 3.35Å; G188-Y241 WeakPolarHBondContact CA-OH 3.47Å
189I88.9Confident82.4Confident87 Ų8764.3 Ų64.345%0.44634%0.336SS..Hα-helixtrans-60.4-47174.4-57.1-179.8000110.1V184 T185 A186 S191 L192 I193V184-I189 HydrophobicContact CB-CG1 4.49Å; V184-I189 HydrophobicContact CG1-CG1 3.54Å; T185-I189 PolarHBondContact O-N 3.05Å; A186-I189 PolarHBondContact O-N 3.46Å; I189-S191 VanDerWaalsContact C-N 3.34Å; I189-S191 PolarHBondContact O-N 2.62Å; I189-L192 WeakPolarHBondContact O-CB 3.48Å; I189-L192 PolarHBondContact O-N 2.96Å; I189-I193 HydrophobicContact CG2-CD1 3.91Å; I189-I193 HydrophobicContact CG2-CG1 4.46Å; I189-I193 WeakPolarHBondContact O-CG1 3.35Å; I189-I193 PolarHBondContact O-N 3.49Å
190L92.6Very high84.8Confident87 Ų8761 Ų6146%0.45533%0.33SS..Hα-helixtrans-58.7-46.7177.5178.862.4000111.4A186 L187 L192 I193 L194A186-L190 PolarHBondContact O-N 2.74Å; L187-L190 HydrophobicContact CD1-CD2 4.33Å; L187-L190 PolarHBondContact O-N 3.11Å; L190-L192 VanDerWaalsContact C-N 3.3Å; L190-L192 PolarHBondContact O-N 3.39Å; L190-I193 PolarHBondContact O-N 2.95Å; L190-L194 HydrophobicContact CD1-CD1 4.23Å; L190-L194 HydrophobicContact CD1-CG 4.32Å; L190-L194 HydrophobicContact CG-CD1 4.09Å; L190-L194 WeakPolarHBondContact O-CG 3.47Å; L190-L194 PolarHBondContact O-N 3.39Å
191S92.1Very high86.8Confident4 Ų454.2 Ų54.23%0.02831%0.309CS..Hα-helixtrans-59.8-40.4176.9-168.70000112.1L187 G188 I189 L194 N195 S285L187-S191 WeakPolarHBondContact O-CB 3.32Å; L187-S191 PolarHBondContact O-N 3Å; G188-S191 PolarHBondContact O-N 2.97Å; I189-S191 VanDerWaalsContact C-N 3.34Å; I189-S191 PolarHBondContact O-N 2.62Å; S191-L194 PolarHBondContact O-N 3.46Å; S191-N195 WeakPolarHBondContact O-CB 3.13Å; S191-N195 PolarHBondContact O-N 2.85Å; S191-S285 WeakPolarHBondContact OG-CA 3.4Å; S191-S285 PolarHBondContact OG-N 3.03Å; S191-S285 PolarHBondContact OG-OG 3.15Å
192L92.1Very high88.4Confident38 Ų3852.6 Ų52.620%0.19930%0.301CS..Hα-helixtrans-64.1-46.2178-173.967.8000111.4G188 I189 L190 L194 N195 I196 C238 L242G188-L192 WeakPolarHBondContact O-CB 3.48Å; G188-L192 PolarHBondContact O-N 3.35Å; I189-L192 WeakPolarHBondContact O-CB 3.48Å; I189-L192 PolarHBondContact O-N 2.96Å; L190-L192 VanDerWaalsContact C-N 3.3Å; L190-L192 PolarHBondContact O-N 3.39Å; L192-L194 PolarHBondContact O-N 3.33Å; L192-N195 PolarHBondContact O-N 3.44Å; L192-I196 HydrophobicContact CD1-CD1 4.47Å; L192-I196 HydrophobicContact CG-CD1 4.06Å; L192-I196 VanDerWaalsContact O-CG1 3.29Å; L192-I196 WeakPolarHBondContact O-CG1 3.33Å; L192-I196 PolarHBondContact O-N 3.36Å; L192-C238 HydrophobicContact CD1-CB 3.78Å; L192-L242 HydrophobicContact CD2-CD2 4.44Å
193I94.5Very high89.8Confident102 Ų10252.2 Ų52.252%0.52330%0.301SS..Hα-helixtrans-60.2-47177.6-67.6168.2000110.6I189 L190 N195 I196 M197I189-I193 HydrophobicContact CG2-CD1 3.91Å; I189-I193 HydrophobicContact CG2-CG1 4.46Å; I189-I193 WeakPolarHBondContact O-CG1 3.35Å; I189-I193 PolarHBondContact O-N 3.49Å; L190-I193 PolarHBondContact O-N 2.95Å; I193-N195 VanDerWaalsContact C-N 3.33Å; I193-N195 PolarHBondContact O-N 3.46Å; I193-I196 PolarHBondContact O-N 2.87Å; I193-M197 PolarHBondContact O-N 2.92Å
194L94.4Very high90.8Very high41 Ų4152.9 Ų52.922%0.21530%0.298CS..Hα-helixtrans-62.9-39.5179-69.4172.6000112L190 S191 L192 M197 C198 F277 V281 L284L190-L194 HydrophobicContact CD1-CD1 4.23Å; L190-L194 HydrophobicContact CD1-CG 4.32Å; L190-L194 HydrophobicContact CG-CD1 4.09Å; L190-L194 WeakPolarHBondContact O-CG 3.47Å; L190-L194 PolarHBondContact O-N 3.39Å; S191-L194 PolarHBondContact O-N 3.46Å; L192-L194 PolarHBondContact O-N 3.33Å; L194-M197 HydrophobicContact CD2-CE 4.12Å; L194-M197 WeakPolarHBondContact O-CB 3.13Å; L194-M197 PolarHBondContact O-N 3.21Å; L194-C198 PolarHBondContact O-N 3.01Å; L194-F277 HydrophobicContact CD2-CZ 4.22Å; L194-V281 HydrophobicContact CB-CG1 3.81Å; L194-V281 HydrophobicContact CB-CG2 3.99Å; L194-V281 HydrophobicContact CD1-CG2 4.48Å; L194-L284 HydrophobicContact CD1-CD2 4.34Å
195N93.1Very high91.5Very high1 Ų153.5 Ų53.51%0.00529%0.294CS..Hα-helixtrans-68.5-41.3179.2-156.1-32.3000111.9S191 L192 I193 M197 C198 A199 C234 Q237 V281 S285S191-N195 WeakPolarHBondContact O-CB 3.13Å; S191-N195 PolarHBondContact O-N 2.85Å; L192-N195 PolarHBondContact O-N 3.44Å; I193-N195 VanDerWaalsContact C-N 3.33Å; I193-N195 PolarHBondContact O-N 3.46Å; N195-M197 VanDerWaalsContact C-N 3.31Å; N195-M197 PolarHBondContact O-N 3.44Å; N195-C198 WeakPolarHBondContact O-CB 3.39Å; N195-C198 PolarHBondContact O-N 3.31Å; N195-A199 PolarHBondContact O-N 3.39Å; N195-C234 VanDerWaalsContact OD1-CA 3.29Å; N195-C234 WeakPolarHBondContact OD1-CA 3.5Å; N195-C234 WeakPolarHBondContact OD1-CB 3.35Å; N195-C234 PolarHBondContact OD1-O 2.99Å; N195-C234 PolarHBondContact OD1-SG 2.98Å; N195-Q237 PolarHBondContact ND2-OE1 3.05Å; N195-V281 HydrophobicContact CB-CG1 4.22Å; N195-S285 VanDerWaalsContact ND2-CB 3.26Å; N195-S285 WeakPolarHBondContact ND2-CB 2.88Å; N195-S285 PolarHBondContact ND2-OG 3.4Å
196I94.2Very high91.8Very high91 Ų9150.7 Ų50.747%0.46728%0.277SS..Hα-helixtrans-60.1-43172.5-68.1166.6000110.6L192 I193 A199 A200L192-I196 HydrophobicContact CD1-CD1 4.47Å; L192-I196 HydrophobicContact CG-CD1 4.06Å; L192-I196 VanDerWaalsContact O-CG1 3.29Å; L192-I196 WeakPolarHBondContact O-CG1 3.33Å; L192-I196 PolarHBondContact O-N 3.36Å; I193-I196 PolarHBondContact O-N 2.87Å; I196-A199 WeakPolarHBondContact O-CB 3.28Å; I196-A199 PolarHBondContact O-N 2.94Å; I196-A200 PolarHBondContact O-N 3.39Å
197M95.3Very high91.9Very high82 Ų8249.9 Ų49.940%0.40426%0.263SS..Hα-helixtrans-61.9-44175.6-173.6-176.471.100111.5I193 L194 N195 A199 A200 L201 F277I193-M197 PolarHBondContact O-N 2.92Å; L194-M197 HydrophobicContact CD2-CE 4.12Å; L194-M197 WeakPolarHBondContact O-CB 3.13Å; L194-M197 PolarHBondContact O-N 3.21Å; N195-M197 VanDerWaalsContact C-N 3.31Å; N195-M197 PolarHBondContact O-N 3.44Å; M197-A199 VanDerWaalsContact C-N 3.34Å; M197-A199 PolarHBondContact O-N 3.02Å; M197-A200 PolarHBondContact O-N 3.47Å; M197-L201 HydrophobicContact CG-CD1 4.27Å; M197-L201 VanDerWaalsContact O-CG 3.32Å; M197-L201 WeakPolarHBondContact O-CG 3.39Å; M197-L201 PolarHBondContact O-N 3.46Å; M197-F277 HydrophobicContact CE-CE1 3.48Å; M197-F277 VanDerWaalsContact CE-CE1 3.48Å; M197-F277 HydrophobicContact CE-CE2 4.37Å; M197-F277 HydrophobicContact CE-CZ 3.21Å
198C94.1Very high91.9Very high1 Ų152.1 Ų52.11%0.00727%0.271CS..Hα-helixtrans-60.3-41.7174.4-80.40000112.4L194 N195 L201 N202 F277 H278L194-C198 PolarHBondContact O-N 3.01Å; N195-C198 WeakPolarHBondContact O-CB 3.39Å; N195-C198 PolarHBondContact O-N 3.31Å; C198-L201 PolarHBondContact O-N 2.91Å; C198-N202 WeakPolarHBondContact O-CB 3.37Å; C198-N202 PolarHBondContact O-N 3.45Å; C198-N202 PolarHBondContact O-ND2 2.82Å; C198-F277 VanDerWaalsContact SG-CE1 3.55Å; C198-H278 PolarHBondContact O-CE1 3.25Å
199A93.4Very high91.9Very high3 Ų353.8 Ų53.83%0.02528%0.28CS..Hα-helixtrans-60.4-49.717500000110.8N195 I196 M197 L201 N202 L203 F231 C234 I235N195-A199 PolarHBondContact O-N 3.39Å; I196-A199 WeakPolarHBondContact O-CB 3.28Å; I196-A199 PolarHBondContact O-N 2.94Å; M197-A199 VanDerWaalsContact C-N 3.34Å; M197-A199 PolarHBondContact O-N 3.02Å; A199-L201 PolarHBondContact O-N 2.95Å; A199-N202 PolarHBondContact O-N 3.48Å; A199-L203 WeakPolarHBondContact O-CB 3.43Å; A199-L203 PolarHBondContact O-N 3.08Å; A199-F231 HydrophobicContact CB-CD2 3.85Å; A199-F231 HydrophobicContact CB-CE2 4.18Å; A199-F231 VanDerWaalsContact O-CD2 3.28Å; A199-F231 WeakPolarHBondContact O-CD2 3.2Å; A199-C234 HydrophobicContact CB-CB 3.83Å; A199-I235 HydrophobicContact CB-CD1 3.93Å; A199-I235 HydrophobicContact CB-CG1 4.39Å
200A94.8Very high91.6Very high44 Ų4451.5 Ų51.536%0.36427%0.274SS..Hα-helixtrans-59.7-43.7178.500000112.3I196 M197 N202 L203 I204I196-A200 PolarHBondContact O-N 3.39Å; M197-A200 PolarHBondContact O-N 3.47Å; A200-N202 PolarHBondContact O-N 2.74Å; A200-L203 PolarHBondContact O-N 3.2Å; A200-I204 WeakPolarHBondContact O-CB 3.47Å; A200-I204 VanDerWaalsContact O-CG1 3.25Å; A200-I204 WeakPolarHBondContact O-CG1 3.41Å; A200-I204 PolarHBondContact O-N 3.35Å
201L92.6Very high91.2Very high64 Ų6454.1 Ų54.134%0.33528%0.284SS..Hα-helixtrans-64.1-40.2177.7-71.1174.1000112.6M197 C198 A199 R205M197-L201 HydrophobicContact CG-CD1 4.27Å; M197-L201 VanDerWaalsContact O-CG 3.32Å; M197-L201 WeakPolarHBondContact O-CG 3.39Å; M197-L201 PolarHBondContact O-N 3.46Å; C198-L201 PolarHBondContact O-N 2.91Å; A199-L201 PolarHBondContact O-N 2.95Å; L201-R205 WeakPolarHBondContact O-CG 3.35Å; L201-R205 PolarHBondContact O-N 3.43Å; L201-R205 VanDerWaalsContact O-N 3.17Å
202N92.2Very high90.4Very high0 Ų060.4 Ų60.40%031%0.312CS..Hα-helixtrans-65.6-40.7174.8-75-28.1000111C198 A199 A200 G206 P230 F231 R270 H278C198-N202 WeakPolarHBondContact O-CB 3.37Å; C198-N202 PolarHBondContact O-N 3.45Å; C198-N202 PolarHBondContact O-ND2 2.82Å; A199-N202 PolarHBondContact O-N 3.48Å; A200-N202 PolarHBondContact O-N 2.74Å; N202-G206 PolarHBondContact O-N 3Å; N202-P230 WeakPolarHBondContact ND2-CB 3.34Å; N202-F231 HydrophobicContact CB-CB 3.98Å; N202-R270 PolarHBondContact OD1-NH1 3.37Å; N202-H278 PolarHBondContact OD1-CE1 3.36Å
203L93.5Very high89.4Confident66 Ų6659.4 Ų59.435%0.34631%0.309SS..Hα-helixtrans-64.6-49.9177.6-177.263.5000111.9A199 A200 R205 G206 V207 F231A199-L203 WeakPolarHBondContact O-CB 3.43Å; A199-L203 PolarHBondContact O-N 3.08Å; A200-L203 PolarHBondContact O-N 3.2Å; L203-R205 VanDerWaalsContact C-N 3.29Å; L203-R205 PolarHBondContact O-N 3.46Å; L203-G206 PolarHBondContact O-N 3.41Å; L203-V207 HydrophobicContact CD1-CG2 4.09Å; L203-V207 HydrophobicContact CG-CG2 4.41Å; L203-V207 WeakPolarHBondContact O-CG2 3.39Å; L203-V207 PolarHBondContact O-N 2.94Å; L203-F231 HydrophobicContact CB-CD2 3.94Å; L203-F231 HydrophobicContact CB-CE2 4.06Å; L203-F231 HydrophobicContact CB-CG 4.38Å; L203-F231 HydrophobicContact CD1-CD1 4.38Å; L203-F231 HydrophobicContact CD1-CE1 4.2Å; L203-F231 HydrophobicContact CD1-CZ 4.26Å; L203-F231 HydrophobicContact CD2-CE2 4.09Å; L203-F231 HydrophobicContact CD2-CZ 4.13Å; L203-F231 HydrophobicContact CG-CE2 4.46Å
204I92Very high87.9Confident111 Ų11162 Ų6257%0.56932%0.323SS*.Hα-helixtrans-57.4-44.4179.7-69.2163.3000110.5A200 H208A200-I204 WeakPolarHBondContact O-CB 3.47Å; A200-I204 VanDerWaalsContact O-CG1 3.25Å; A200-I204 WeakPolarHBondContact O-CG1 3.41Å; A200-I204 PolarHBondContact O-N 3.35Å; I204-H208 VanDerWaalsContact O-CB 3.25Å; I204-H208 WeakPolarHBondContact O-CB 3.47Å; I204-H208 PolarHBondContact O-N 3.31Å
205R89.5Confident86.3Confident69 Ų6968.5 Ų68.526%0.2635%0.352SS..Hα-helixtrans-68.3-41.2177.8-72.1-178.2-177.1-167.7-0.6112.8L201 L203 L209 F227L201-R205 WeakPolarHBondContact O-CG 3.35Å; L201-R205 PolarHBondContact O-N 3.43Å; L201-R205 VanDerWaalsContact O-N 3.17Å; L203-R205 VanDerWaalsContact C-N 3.29Å; L203-R205 PolarHBondContact O-N 3.46Å; R205-L209 WeakPolarHBondContact O-CB 3.31Å; R205-L209 PolarHBondContact O-N 2.93Å; R205-F227 HydrophobicContact CB-CD1 3.78Å; R205-F227 HydrophobicContact CB-CE1 3.63Å; R205-F227 HydrophobicContact CB-CE2 4.46Å; R205-F227 HydrophobicContact CB-CG 4.27Å; R205-F227 HydrophobicContact CB-CZ 4Å; R205-F227 HydrophobicContact CG-CE1 4.32Å
206G88.5Confident84.7Confident2 Ų273.1 Ų73.12%0.02138%0.38CS..Hα-helixtrans-61.5-43.3176.500000112.2N202 L203 A210N202-G206 PolarHBondContact O-N 3Å; L203-G206 PolarHBondContact O-N 3.41Å; G206-A210 WeakPolarHBondContact O-CB 3.18Å; G206-A210 PolarHBondContact O-N 2.76Å
207V88.6Confident83.3Confident67 Ų6772.4 Ų72.441%0.40639%0.388SS..Hα-helixtrans-68.7-47177.1173.70000111.3L203 L209 A210 E211L203-V207 HydrophobicContact CD1-CG2 4.09Å; L203-V207 HydrophobicContact CG-CG2 4.41Å; L203-V207 WeakPolarHBondContact O-CG2 3.39Å; L203-V207 PolarHBondContact O-N 2.94Å; V207-L209 PolarHBondContact O-N 3.16Å; V207-A210 WeakPolarHBondContact O-CB 3.3Å; V207-A210 PolarHBondContact O-N 3.37Å; V207-E211 HydrophobicContact CG1-CG 4.44Å; V207-E211 WeakPolarHBondContact O-CG 3.45Å; V207-E211 PolarHBondContact O-N 3.07Å
208H87.7Confident81.7Confident135 Ų13576.1 Ų76.163%0.62540%0.404SS*.Hα-helixtrans-59.5-38177.7-177.2-70.5000111.9I204 H212I204-H208 VanDerWaalsContact O-CB 3.25Å; I204-H208 WeakPolarHBondContact O-CB 3.47Å; I204-H208 PolarHBondContact O-N 3.31Å; H208-H212 PolarHBondContact O-N 3Å
209L85.1Confident80.4Confident35 Ų3584 Ų8418%0.18344%0.441CS..Hα-helixtrans-67.9-46.3173.7-17263.5000110.7R205 V207 E211 H212 S213 N223 I224 F227R205-L209 WeakPolarHBondContact O-CB 3.31Å; R205-L209 PolarHBondContact O-N 2.93Å; V207-L209 PolarHBondContact O-N 3.16Å; L209-E211 VanDerWaalsContact C-N 3.3Å; L209-E211 PolarHBondContact O-N 3.01Å; L209-H212 PolarHBondContact O-N 3.45Å; L209-H212 VanDerWaalsContact O-N 3.08Å; L209-S213 WeakPolarHBondContact O-CB 3.36Å; L209-S213 PolarHBondContact O-N 3.01Å; L209-S213 PolarHBondContact O-OG 2.97Å; L209-N223 HydrophobicContact CD2-CB 3.45Å; L209-N223 VanDerWaalsContact CD2-CB 3.45Å; L209-I224 HydrophobicContact CB-CG1 4.39Å; L209-I224 HydrophobicContact CD2-CG1 4.04Å; L209-I224 HydrophobicContact CG-CG1 4.08Å; L209-F227 HydrophobicContact CD2-CD2 4.25Å; L209-F227 HydrophobicContact CD2-CE2 4.09Å
210A84.3Confident79.4Confident38 Ų3886.1 Ų86.131%0.31445%0.45SS..Hα-helixtrans-59-37178.700000113.7G206 V207 S213 L214 I224G206-A210 WeakPolarHBondContact O-CB 3.18Å; G206-A210 PolarHBondContact O-N 2.76Å; V207-A210 WeakPolarHBondContact O-CB 3.3Å; V207-A210 PolarHBondContact O-N 3.37Å; A210-S213 PolarHBondContact O-N 3.44Å; A210-L214 PolarHBondContact O-N 2.87Å; A210-I224 HydrophobicContact CB-CD1 3.92Å; A210-I224 HydrophobicContact CB-CG1 4.27Å; A210-I224 HydrophobicContact CB-CG2 4.43Å
211E83.2Confident78.8Confident142 Ų14289 Ų8966%0.66446%0.458SS*.Hα-helixtrans-65.1-39.4175-74.4179.5173.400112V207 L209V207-E211 HydrophobicContact CG1-CG 4.44Å; V207-E211 WeakPolarHBondContact O-CG 3.45Å; V207-E211 PolarHBondContact O-N 3.07Å; L209-E211 VanDerWaalsContact C-N 3.3Å; L209-E211 PolarHBondContact O-N 3.01Å
212H76.3Confident78.4Confident136 Ų13687.2 Ų87.263%0.6346%0.455SS*.Hα-helixtrans-74.4-30175.8-164.9-81.5000112.1H208 L209 L214H208-H212 PolarHBondContact O-N 3Å; L209-H212 PolarHBondContact O-N 3.45Å; L209-H212 VanDerWaalsContact O-N 3.08Å; H212-L214 VanDerWaalsContact C-N 3.28Å; H212-L214 PolarHBondContact O-N 3.34Å
213S69.7Low78Confident18 Ų1889.2 Ų89.213%0.12647%0.466CS..G310 helixtrans-78.8-3.3-175.9-64.50000116.1L209 A210 Q215 V216 E220L209-S213 WeakPolarHBondContact O-CB 3.36Å; L209-S213 PolarHBondContact O-N 3.01Å; L209-S213 PolarHBondContact O-OG 2.97Å; A210-S213 PolarHBondContact O-N 3.44Å; S213-Q215 PolarHBondContact O-N 2.73Å; S213-V216 PolarHBondContact O-N 3.26Å; S213-E220 WeakPolarHBondContact CA-OE2 3.31Å; S213-E220 WeakPolarHBondContact CB-OE2 3.3Å; S213-E220 WeakPolarHBondContact OG-CB 3.45Å; S213-E220 PolarHBondContact OG-OE2 2.78Å
214L63.1Low77.6Confident155 Ų15587.5 Ų87.581%0.81246%0.457SS*.G310 helixtrans-64.2-1.4177.2-131.8147.6000112.9A210 H212A210-L214 PolarHBondContact O-N 2.87Å; H212-L214 VanDerWaalsContact C-N 3.28Å; H212-L214 PolarHBondContact O-N 3.34Å
215Q60.5Low77.4Confident179 Ų17987 Ų8784%0.83646%0.455SS*.G310 helixtrans-118.9-12.2-177.5-70-179.1-19.800116.1S213S213-Q215 PolarHBondContact O-N 2.73Å
216V59.5Low77.4Confident97 Ų9784.1 Ų84.159%0.58845%0.446SS*.SBendtrans-143.6141.7-172.7-172.50000115.1S213S213-V216 PolarHBondContact O-N 3.26Å
217A64.7Low77.5Confident77 Ų7784.5 Ų84.564%0.63645%0.447SS*.  trans-35.4149.5-17500000120.7E219 E220A217-E219 PolarHBondContact O-N 2.61Å; A217-E220 PolarHBondContact O-N 2.61Å
218H62.3Low77.6Confident159 Ų15984.4 Ų84.474%0.73644%0.444SS*.THydrogen-bonded Turntrans4.7-37.4167.6-144.2-7.3000121.7E220H218-E220 VanDerWaalsContact C-N 3.33Å
219E66.8Low77.9Confident168 Ų16880.4 Ų80.479%0.78543%0.429SS*.Hα-helixtrans-67.6-32.5179.8-70.4-171.9160.100112.4A217 I221 G222A217-E219 PolarHBondContact O-N 2.61Å; E219-I221 VanDerWaalsContact C-N 3.32Å; E219-I221 PolarHBondContact O-N 2.84Å; E219-G222 PolarHBondContact O-N 3Å
220E73.2Confident78.2Confident46 Ų4678.7 Ų78.722%0.21542%0.42CS..Hα-helixtrans-73.7-25.8-177.7-59.4-170.7169.400112.9S213 A217 H218 G222 N223 I224S213-E220 WeakPolarHBondContact CA-OE2 3.31Å; S213-E220 WeakPolarHBondContact CB-OE2 3.3Å; S213-E220 WeakPolarHBondContact OG-CB 3.45Å; S213-E220 PolarHBondContact OG-OE2 2.78Å; A217-E220 PolarHBondContact O-N 2.61Å; H218-E220 VanDerWaalsContact C-N 3.33Å; E220-G222 VanDerWaalsContact C-N 3.26Å; E220-G222 PolarHBondContact O-N 3.21Å; E220-N223 PolarHBondContact O-N 3Å; E220-I224 WeakPolarHBondContact O-CG1 3.24Å; E220-I224 PolarHBondContact O-N 2.83Å
221I81.6Confident78.6Confident105 Ų10579.2 Ų79.254%0.53842%0.415SS..Hα-helixtrans-61.1-39173.6-58.4175.2000110.4E219 N223 I224 L225E219-I221 VanDerWaalsContact C-N 3.32Å; E219-I221 PolarHBondContact O-N 2.84Å; I221-N223 VanDerWaalsContact C-N 3.32Å; I221-N223 PolarHBondContact O-N 3.06Å; I221-I224 PolarHBondContact O-N 2.85Å; I221-L225 WeakPolarHBondContact O-CB 3.34Å; I221-L225 PolarHBondContact O-N 3.43Å
222G83.4Confident79.1Confident26 Ų2675.7 Ų75.727%0.26840%0.403SS..Hα-helixtrans-61.1-42.517700000111.9E219 E220 L225 A226E219-G222 PolarHBondContact O-N 3Å; E220-G222 VanDerWaalsContact C-N 3.26Å; E220-G222 PolarHBondContact O-N 3.21Å; G222-L225 PolarHBondContact O-N 3.1Å; G222-A226 WeakPolarHBondContact O-CB 3.1Å; G222-A226 PolarHBondContact O-N 2.79Å
223N84.9Confident80Confident42 Ų4269.3 Ų69.323%0.22537%0.374CS..Hα-helixtrans-68.4-41.1177.6-67.4-32.5000112.3L209 E220 I221 A226 F227 L269L209-N223 HydrophobicContact CD2-CB 3.45Å; L209-N223 VanDerWaalsContact CD2-CB 3.45Å; E220-N223 PolarHBondContact O-N 3Å; I221-N223 VanDerWaalsContact C-N 3.32Å; I221-N223 PolarHBondContact O-N 3.06Å; N223-A226 WeakPolarHBondContact O-CB 3.47Å; N223-A226 PolarHBondContact O-N 3.45Å; N223-F227 WeakPolarHBondContact O-CD2 3.47Å; N223-F227 PolarHBondContact O-N 3.3Å; N223-L269 HydrophobicContact CB-CD1 4.03Å
224I85.8Confident81.1Confident30 Ų3068.6 Ų68.615%0.15437%0.369CS..Hα-helixtrans-60.6-47.5174.9-64.4163000109.9L209 A210 E220 I221 A226 F227 L228L209-I224 HydrophobicContact CB-CG1 4.39Å; L209-I224 HydrophobicContact CD2-CG1 4.04Å; L209-I224 HydrophobicContact CG-CG1 4.08Å; A210-I224 HydrophobicContact CB-CD1 3.92Å; A210-I224 HydrophobicContact CB-CG1 4.27Å; A210-I224 HydrophobicContact CB-CG2 4.43Å; E220-I224 WeakPolarHBondContact O-CG1 3.24Å; E220-I224 PolarHBondContact O-N 2.83Å; I221-I224 PolarHBondContact O-N 2.85Å; I224-A226 VanDerWaalsContact C-N 3.26Å; I224-A226 PolarHBondContact O-N 3.27Å; I224-F227 PolarHBondContact O-N 2.85Å; I224-F227 VanDerWaalsContact O-N 3.07Å; I224-L228 HydrophobicContact CG2-CD1 3.98Å; I224-L228 HydrophobicContact CG2-CG 4.37Å; I224-L228 WeakPolarHBondContact O-CG 3.47Å; I224-L228 PolarHBondContact O-N 2.88Å
225L87.7Confident82.5Confident101 Ų10165.1 Ų65.153%0.52935%0.35SS..Hα-helixtrans-61.4-37.2177.7-173.362.4000111.5I221 G222 F227 L228 V229I221-L225 WeakPolarHBondContact O-CB 3.34Å; I221-L225 PolarHBondContact O-N 3.43Å; G222-L225 PolarHBondContact O-N 3.1Å; L225-F227 PolarHBondContact O-N 2.85Å; L225-L228 PolarHBondContact O-N 2.79Å; L225-V229 HydrophobicContact CD1-CG2 3.89Å; L225-V229 HydrophobicContact CG-CG2 4.02Å; L225-V229 WeakPolarHBondContact O-CG2 3.33Å; L225-V229 PolarHBondContact O-N 3.18Å
226A89.3Confident84Confident9 Ų961.7 Ų61.77%0.07433%0.333CS..Hα-helixtrans-65.7-21.8176.900000113.7G222 N223 I224 P230 Y265 L266G222-A226 WeakPolarHBondContact O-CB 3.1Å; G222-A226 PolarHBondContact O-N 2.79Å; N223-A226 WeakPolarHBondContact O-CB 3.47Å; N223-A226 PolarHBondContact O-N 3.45Å; I224-A226 VanDerWaalsContact C-N 3.26Å; I224-A226 PolarHBondContact O-N 3.27Å; A226-P230 WeakPolarHBondContact O-CD 3.21Å; A226-P230 VanDerWaalsContact O-CG 3.24Å; A226-P230 WeakPolarHBondContact O-CG 3.47Å; A226-Y265 HydrophobicContact CB-CD1 3.47Å; A226-Y265 VanDerWaalsContact CB-CD1 3.47Å; A226-Y265 HydrophobicContact CB-CE1 4.08Å; A226-Y265 HydrophobicContact CB-CG 4.36Å; A226-L266 HydrophobicContact CB-CD1 4.29Å; A226-L266 HydrophobicContact CB-CD2 3.78Å; A226-L266 HydrophobicContact CB-CG 3.84Å; A226-L266 WeakPolarHBondContact O-CD1 3.02Å
227F90.3Very high85.5Confident10 Ų1057.1 Ų57.14%0.04431%0.305CS..Hα-helixtrans-85.4-38.3168.3-74.7-69.8000112.7R205 L209 N223 I224 L225 F231 L266 L269R205-F227 HydrophobicContact CB-CD1 3.78Å; R205-F227 HydrophobicContact CB-CE1 3.63Å; R205-F227 HydrophobicContact CB-CE2 4.46Å; R205-F227 HydrophobicContact CB-CG 4.27Å; R205-F227 HydrophobicContact CB-CZ 4Å; R205-F227 HydrophobicContact CG-CE1 4.32Å; L209-F227 HydrophobicContact CD2-CD2 4.25Å; L209-F227 HydrophobicContact CD2-CE2 4.09Å; N223-F227 WeakPolarHBondContact O-CD2 3.47Å; N223-F227 PolarHBondContact O-N 3.3Å; I224-F227 PolarHBondContact O-N 2.85Å; I224-F227 VanDerWaalsContact O-N 3.07Å; L225-F227 PolarHBondContact O-N 2.85Å; F227-F231 WeakPolarHBondContact O-CB 3.46Å; F227-F231 PolarHBondContact O-N 2.87Å; F227-L266 HydrophobicContact CD1-CD1 3.6Å; F227-L266 HydrophobicContact CD2-CD1 4.4Å; F227-L266 HydrophobicContact CD2-CD2 4.03Å; F227-L266 HydrophobicContact CE1-CD1 3.53Å; F227-L266 HydrophobicContact CE1-CD2 4.19Å; F227-L266 HydrophobicContact CE1-CG 4.45Å; F227-L266 HydrophobicContact CE2-CD1 4.34Å; F227-L266 HydrophobicContact CE2-CD2 3.59Å; F227-L266 HydrophobicContact CG-CD1 4.04Å; F227-L266 HydrophobicContact CG-CD2 4.49Å; F227-L266 HydrophobicContact CZ-CD1 3.92Å; F227-L266 HydrophobicContact CZ-CD2 3.68Å; F227-L266 HydrophobicContact CZ-CG 4.38Å; F227-L269 HydrophobicContact CE2-CD1 4.25Å
228L91.1Very high86.8Confident65 Ų6554.1 Ų54.134%0.3428%0.279SS..Hα-helixtrans-70.2-37.6-178.2-69.7178.5000113.2I224 L225 F231 V232I224-L228 HydrophobicContact CG2-CD1 3.98Å; I224-L228 HydrophobicContact CG2-CG 4.37Å; I224-L228 WeakPolarHBondContact O-CG 3.47Å; I224-L228 PolarHBondContact O-N 2.88Å; L225-L228 PolarHBondContact O-N 2.79Å; L228-F231 HydrophobicContact CD2-CD1 4.48Å; L228-F231 WeakPolarHBondContact O-CB 3.38Å; L228-F231 PolarHBondContact O-N 3.28Å; L228-V232 WeakPolarHBondContact O-CG2 3.31Å; L228-V232 PolarHBondContact O-N 3.28Å
229V92.9Very high88.1Confident50 Ų5052.3 Ų52.330%0.30327%0.267SS..Hα-helixtrans-62-51.9-180166.80000111.5L225 F231 V232 A233 F258L225-V229 HydrophobicContact CD1-CG2 3.89Å; L225-V229 HydrophobicContact CG-CG2 4.02Å; L225-V229 WeakPolarHBondContact O-CG2 3.33Å; L225-V229 PolarHBondContact O-N 3.18Å; V229-F231 VanDerWaalsContact C-N 3.31Å; V229-F231 PolarHBondContact O-N 3.1Å; V229-V232 PolarHBondContact O-N 3.3Å; V229-A233 WeakPolarHBondContact O-CB 3.28Å; V229-A233 PolarHBondContact O-N 3.47Å; V229-F258 HydrophobicContact CG1-CB 3.99Å; V229-F258 HydrophobicContact CG1-CD1 4.24Å; V229-F258 HydrophobicContact CG1-CG 4.33Å
230P91.5Very high89.1Confident0 Ų044.7 Ų44.70%023%0.232CC..Hα-helixtrans-61.7-34.3172.3-26.837.3000113.9N202 A226 A233 C234N202-P230 WeakPolarHBondContact ND2-CB 3.34Å; A226-P230 WeakPolarHBondContact O-CD 3.21Å; A226-P230 VanDerWaalsContact O-CG 3.24Å; A226-P230 WeakPolarHBondContact O-CG 3.47Å; P230-A233 PolarHBondContact O-N 3.5Å; P230-C234 WeakPolarHBondContact O-CB 3.47Å; P230-C234 PolarHBondContact O-N 3.28Å; P230-C234 PolarHBondContact O-SG 3.31Å
231F93.1Very high89.7Confident48 Ų4843.2 Ų43.221%0.21122%0.224CC..Hα-helixtrans-59.3-53.5174.7161.7-110.4000111.5A199 N202 L203 F227 L228 V229 A233 C234 I235A199-F231 HydrophobicContact CB-CD2 3.85Å; A199-F231 HydrophobicContact CB-CE2 4.18Å; A199-F231 VanDerWaalsContact O-CD2 3.28Å; A199-F231 WeakPolarHBondContact O-CD2 3.2Å; N202-F231 HydrophobicContact CB-CB 3.98Å; L203-F231 HydrophobicContact CB-CD2 3.94Å; L203-F231 HydrophobicContact CB-CE2 4.06Å; L203-F231 HydrophobicContact CB-CG 4.38Å; L203-F231 HydrophobicContact CD1-CD1 4.38Å; L203-F231 HydrophobicContact CD1-CE1 4.2Å; L203-F231 HydrophobicContact CD1-CZ 4.26Å; L203-F231 HydrophobicContact CD2-CE2 4.09Å; L203-F231 HydrophobicContact CD2-CZ 4.13Å; L203-F231 HydrophobicContact CG-CE2 4.46Å; F227-F231 WeakPolarHBondContact O-CB 3.46Å; F227-F231 PolarHBondContact O-N 2.87Å; L228-F231 HydrophobicContact CD2-CD1 4.48Å; L228-F231 WeakPolarHBondContact O-CB 3.38Å; L228-F231 PolarHBondContact O-N 3.28Å; V229-F231 VanDerWaalsContact C-N 3.31Å; V229-F231 PolarHBondContact O-N 3.1Å; F231-A233 VanDerWaalsContact C-N 3.32Å; F231-A233 PolarHBondContact O-N 2.92Å; F231-C234 WeakPolarHBondContact O-CB 3.37Å; F231-C234 PolarHBondContact O-N 2.97Å; F231-I235 HydrophobicContact CD2-CG1 4.4Å; F231-I235 HydrophobicContact CE2-CD1 4.26Å; F231-I235 HydrophobicContact CE2-CG1 3.98Å; F231-I235 HydrophobicContact CZ-CG1 4.25Å; F231-I235 WeakPolarHBondContact O-CG1 3.32Å; F231-I235 PolarHBondContact O-N 2.96Å; F231-I235 VanDerWaalsContact O-N 3.16Å
232V94.3Very high89.9Confident68 Ų6842 Ų4241%0.41222%0.218SC..Hα-helixtrans-61.9-42.8178.9173.20000110.5L228 V229 C234 I235 F236L228-V232 WeakPolarHBondContact O-CG2 3.31Å; L228-V232 PolarHBondContact O-N 3.28Å; V229-V232 PolarHBondContact O-N 3.3Å; V232-C234 PolarHBondContact O-N 3.48Å; V232-I235 PolarHBondContact O-N 2.84Å; V232-F236 HydrophobicContact CG1-CD2 3.64Å; V232-F236 HydrophobicContact CG1-CE2 3.69Å; V232-F236 WeakPolarHBondContact O-CD2 3.38Å; V232-F236 PolarHBondContact O-N 2.99Å
233A93.5Very high89.8Confident3 Ų346.2 Ų46.23%0.02523%0.229CC..Hα-helixtrans-62.3-38.9178.200000113.1V229 P230 F231 F236 Q237 M255 F258 I259V229-A233 WeakPolarHBondContact O-CB 3.28Å; V229-A233 PolarHBondContact O-N 3.47Å; P230-A233 PolarHBondContact O-N 3.5Å; F231-A233 VanDerWaalsContact C-N 3.32Å; F231-A233 PolarHBondContact O-N 2.92Å; A233-F236 PolarHBondContact O-N 2.66Å; A233-Q237 WeakPolarHBondContact O-CG 3.48Å; A233-Q237 PolarHBondContact O-N 2.78Å; A233-M255 HydrophobicContact CB-CB 4.44Å; A233-M255 HydrophobicContact CB-SD 3.95Å; A233-F258 HydrophobicContact CB-CB 4.24Å; A233-I259 HydrophobicContact CB-CD1 4.06Å; A233-I259 HydrophobicContact CB-CG1 3.59Å
234C93Very high89.3Confident3 Ų350.5 Ų50.52%0.0224%0.243CC..Hα-helixtrans-61.3-43.9173.2-81.20000112.3N195 A199 P230 F231 V232 Q237 C238N195-C234 VanDerWaalsContact OD1-CA 3.29Å; N195-C234 WeakPolarHBondContact OD1-CA 3.5Å; N195-C234 WeakPolarHBondContact OD1-CB 3.35Å; N195-C234 PolarHBondContact OD1-O 2.99Å; N195-C234 PolarHBondContact OD1-SG 2.98Å; A199-C234 HydrophobicContact CB-CB 3.83Å; P230-C234 WeakPolarHBondContact O-CB 3.47Å; P230-C234 PolarHBondContact O-N 3.28Å; P230-C234 PolarHBondContact O-SG 3.31Å; F231-C234 WeakPolarHBondContact O-CB 3.37Å; F231-C234 PolarHBondContact O-N 2.97Å; V232-C234 PolarHBondContact O-N 3.48Å; C234-Q237 WeakPolarHBondContact O-CB 3.19Å; C234-Q237 PolarHBondContact O-N 3.26Å; C234-C238 PolarHBondContact O-N 3.26Å; C234-C238 PolarHBondContact O-SG 3.35Å
235I92.5Very high88.9Confident81 Ų8149.5 Ų49.542%0.41524%0.239SC..Hα-helixtrans-63.1-43.2175.7-62-59.7000110.9A199 F231 V232 Q237 C238 Y239A199-I235 HydrophobicContact CB-CD1 3.93Å; A199-I235 HydrophobicContact CB-CG1 4.39Å; F231-I235 HydrophobicContact CD2-CG1 4.4Å; F231-I235 HydrophobicContact CE2-CD1 4.26Å; F231-I235 HydrophobicContact CE2-CG1 3.98Å; F231-I235 HydrophobicContact CZ-CG1 4.25Å; F231-I235 WeakPolarHBondContact O-CG1 3.32Å; F231-I235 PolarHBondContact O-N 2.96Å; F231-I235 VanDerWaalsContact O-N 3.16Å; V232-I235 PolarHBondContact O-N 2.84Å; I235-Q237 VanDerWaalsContact C-N 3.34Å; I235-Q237 PolarHBondContact O-N 2.87Å; I235-C238 WeakPolarHBondContact O-CB 3.48Å; I235-C238 PolarHBondContact O-N 2.9Å; I235-Y239 PolarHBondContact O-N 3.12Å
236F92.2Very high88.3Confident108 Ų10849.1 Ų49.147%0.47424%0.242SC..Hα-helixtrans-64.3-36175.5-90.4-76.3000112.8V232 A233 Y239 L240 M255V232-F236 HydrophobicContact CG1-CD2 3.64Å; V232-F236 HydrophobicContact CG1-CE2 3.69Å; V232-F236 WeakPolarHBondContact O-CD2 3.38Å; V232-F236 PolarHBondContact O-N 2.99Å; A233-F236 PolarHBondContact O-N 2.66Å; F236-Y239 PolarHBondContact O-N 2.8Å; F236-L240 WeakPolarHBondContact O-CB 3.31Å; F236-L240 VanDerWaalsContact O-CG 3.26Å; F236-L240 WeakPolarHBondContact O-CG 3.44Å; F236-L240 PolarHBondContact O-N 3.46Å; F236-M255 HydrophobicContact CB-CG 4.09Å; F236-M255 HydrophobicContact CB-SD 3.63Å; F236-M255 HydrophobicContact CG-SD 4.25Å
237Q91.7Very high87.8Confident1 Ų151.6 Ų51.61%0.00526%0.263CS..Hα-helixtrans-61.4-43.3171.5-77.8-175.7-31.600111.6N195 A233 C234 I235 Y239 L240 Y241 M255 I259 A282 S286 I289N195-Q237 PolarHBondContact ND2-OE1 3.05Å; A233-Q237 WeakPolarHBondContact O-CG 3.48Å; A233-Q237 PolarHBondContact O-N 2.78Å; C234-Q237 WeakPolarHBondContact O-CB 3.19Å; C234-Q237 PolarHBondContact O-N 3.26Å; I235-Q237 VanDerWaalsContact C-N 3.34Å; I235-Q237 PolarHBondContact O-N 2.87Å; Q237-Y239 VanDerWaalsContact C-N 3.33Å; Q237-Y239 PolarHBondContact O-N 3.22Å; Q237-L240 PolarHBondContact O-N 2.86Å; Q237-Y241 PolarHBondContact O-N 3.49Å; Q237-M255 HydrophobicContact CG-CB 3.85Å; Q237-M255 HydrophobicContact CG-CG 4.45Å; Q237-I259 VanDerWaalsContact CD-CD1 3.48Å; Q237-I259 HydrophobicContact CG-CD1 4.37Å; Q237-I259 VanDerWaalsContact OE1-CD1 3.25Å; Q237-A282 PolarHBondContact NE2-O 3.26Å; Q237-S286 PolarHBondContact NE2-OG 3.19Å; Q237-I289 HydrophobicContact CB-CD1 4.12Å; Q237-I289 HydrophobicContact CG-CD1 4.41Å; Q237-I289 WeakPolarHBondContact O-CD1 3.46Å
238C91Very high87.4Confident14 Ų1453.1 Ų53.110%0.09527%0.269CS..Hα-helixtrans-61.3-43175.5-62.40000111.4L192 C234 I235 Y241 L242L192-C238 HydrophobicContact CD1-CB 3.78Å; C234-C238 PolarHBondContact O-N 3.26Å; C234-C238 PolarHBondContact O-SG 3.35Å; I235-C238 WeakPolarHBondContact O-CB 3.48Å; I235-C238 PolarHBondContact O-N 2.9Å; C238-Y241 WeakPolarHBondContact O-CB 3.14Å; C238-Y241 PolarHBondContact O-N 3.03Å; C238-L242 WeakPolarHBondContact O-CG 3.26Å; C238-L242 PolarHBondContact O-N 3.17Å; C238-L242 VanDerWaalsContact O-N 3.09Å
239Y90.2Very high87Confident120 Ų12054.1 Ų54.147%0.47128%0.277SS..Hα-helixtrans-61-47.3175.5177-93.3000112.1I235 F236 Q237 Y241 L242 F243I235-Y239 PolarHBondContact O-N 3.12Å; F236-Y239 PolarHBondContact O-N 2.8Å; Q237-Y239 VanDerWaalsContact C-N 3.33Å; Q237-Y239 PolarHBondContact O-N 3.22Å; Y239-Y241 PolarHBondContact O-N 2.94Å; Y239-L242 PolarHBondContact O-N 2.83Å; Y239-L242 VanDerWaalsContact O-N 3.16Å; Y239-F243 HydrophobicContact CD2-CB 4.5Å; Y239-F243 AromaticContact CD2-CD2 3.49Å; Y239-F243 HydrophobicContact CD2-CD2 3.49Å; Y239-F243 VanDerWaalsContact CD2-CD2 3.49Å; Y239-F243 HydrophobicContact CD2-CE2 4.07Å; Y239-F243 HydrophobicContact CD2-CG 4.3Å; Y239-F243 HydrophobicContact CE1-CB 4.29Å; Y239-F243 HydrophobicContact CE2-CB 4.06Å; Y239-F243 AromaticContact CE2-CD2 3.48Å; Y239-F243 HydrophobicContact CE2-CD2 3.48Å; Y239-F243 VanDerWaalsContact CE2-CD2 3.48Å; Y239-F243 HydrophobicContact CE2-CE2 4.13Å; Y239-F243 AromaticContact CE2-CG 3.9Å; Y239-F243 HydrophobicContact CE2-CG 3.9Å; Y239-F243 HydrophobicContact CG-CD2 4.25Å; Y239-F243 PolarHBondContact O-N 2.87Å
240L88.3Confident86.8Confident9 Ų958.6 Ų58.65%0.04730%0.297CS..Hα-helixtrans-66.2-26178-69.6172000112.9F236 Q237 K251 V252 M255 I289F236-L240 WeakPolarHBondContact O-CB 3.31Å; F236-L240 VanDerWaalsContact O-CG 3.26Å; F236-L240 WeakPolarHBondContact O-CG 3.44Å; F236-L240 PolarHBondContact O-N 3.46Å; Q237-L240 PolarHBondContact O-N 2.86Å; L240-K251 HydrophobicContact CD1-CB 3.72Å; L240-K251 HydrophobicContact CD2-CB 4.21Å; L240-K251 HydrophobicContact CD2-CD 3.99Å; L240-V252 HydrophobicContact CD1-CG2 4.06Å; L240-M255 HydrophobicContact CD1-CG 4.42Å; L240-I289 HydrophobicContact CB-CD1 4.43Å; L240-I289 HydrophobicContact CB-CG2 4.33Å
241Y86.4Confident86.8Confident14 Ų1462.8 Ų62.86%0.05532%0.315CS..Hα-helixtrans-70.3-43.4172-172.4-107.7000111.2V184 G188 Q237 C238 Y239 Q288 I289 R292V184-Y241 HydrophobicContact CG1-CE1 3.8Å; V184-Y241 HydrophobicContact CG2-CE1 4.11Å; G188-Y241 WeakPolarHBondContact CA-OH 3.47Å; Q237-Y241 PolarHBondContact O-N 3.49Å; C238-Y241 WeakPolarHBondContact O-CB 3.14Å; C238-Y241 PolarHBondContact O-N 3.03Å; Y239-Y241 PolarHBondContact O-N 2.94Å; Y241-Q288 HydrophobicContact CD2-CB 4.33Å; Y241-Q288 HydrophobicContact CE2-CB 3.86Å; Y241-I289 HydrophobicContact CD2-CG1 3.74Å; Y241-I289 HydrophobicContact CG-CG1 4.25Å; Y241-R292 PolarHBondContact O-NH1 2.82Å
242L84.5Confident86.6Confident79 Ų7960.6 Ų60.641%0.41431%0.305SS..Hα-helixtrans-82.5-37.5-174.6-67.2174.7000114.1L192 C238 Y239L192-L242 HydrophobicContact CD2-CD2 4.44Å; C238-L242 WeakPolarHBondContact O-CG 3.26Å; C238-L242 PolarHBondContact O-N 3.17Å; C238-L242 VanDerWaalsContact O-N 3.09Å; Y239-L242 PolarHBondContact O-N 2.83Å; Y239-L242 VanDerWaalsContact O-N 3.16Å
243F80.9Confident86.5Confident115 Ų11561.3 Ų61.350%0.50431%0.31SS..SBendtrans-117.9139.9-171.3-63.6-80.4000112Y239 S245Y239-F243 HydrophobicContact CD2-CB 4.5Å; Y239-F243 AromaticContact CD2-CD2 3.49Å; Y239-F243 HydrophobicContact CD2-CD2 3.49Å; Y239-F243 VanDerWaalsContact CD2-CD2 3.49Å; Y239-F243 HydrophobicContact CD2-CE2 4.07Å; Y239-F243 HydrophobicContact CD2-CG 4.3Å; Y239-F243 HydrophobicContact CE1-CB 4.29Å; Y239-F243 HydrophobicContact CE2-CB 4.06Å; Y239-F243 AromaticContact CE2-CD2 3.48Å; Y239-F243 HydrophobicContact CE2-CD2 3.48Å; Y239-F243 VanDerWaalsContact CE2-CD2 3.48Å; Y239-F243 HydrophobicContact CE2-CE2 4.13Å; Y239-F243 AromaticContact CE2-CG 3.9Å; Y239-F243 HydrophobicContact CE2-CG 3.9Å; Y239-F243 HydrophobicContact CG-CD2 4.25Å; Y239-F243 PolarHBondContact O-N 2.87Å; F243-S245 PolarHBondContact O-N 2.86Å
244Y75.3Confident86.5Confident133 Ų13364.7 Ų64.752%0.52233%0.327SS..  trans-76.9133.4-177178.1-103.3000108.1M181 L294M181-Y244 VanDerWaalsContact CE-CB 3.42Å; M181-Y244 HydrophobicContact CE-CD2 4.44Å; M181-Y244 HydrophobicContact CE-CG 4.44Å; Y244-L294 HydrophobicContact CD2-CD1 4.09Å; Y244-L294 HydrophobicContact CD2-CD2 3.75Å; Y244-L294 HydrophobicContact CD2-CG 4.25Å; Y244-L294 HydrophobicContact CE2-CD1 3.54Å; Y244-L294 HydrophobicContact CE2-CD2 4.1Å; Y244-L294 HydrophobicContact CE2-CG 4.11Å; Y244-L294 HydrophobicContact CG-CD2 4.39Å
245S76.5Confident86.5Confident8 Ų865.8 Ų65.86%0.05633%0.332CS..  trans-132.3137.7173.9173.60000109.5F243 R248 K251F243-S245 PolarHBondContact O-N 2.86Å; S245-R248 PolarHBondContact O-N 2.85Å; S245-K251 WeakPolarHBondContact OG-CE 3.31Å; S245-K251 PolarHBondContact OG-NZ 2.86Å
246P75.2Confident86.5Confident93 Ų9363.2 Ų63.260%0.60432%0.319SS*.THydrogen-bonded Turntrans-58.7153163.228-34000109.6R248 K251P246-R248 VanDerWaalsContact C-N 3.27Å; P246-R248 PolarHBondContact O-N 3.31Å; P246-K251 WeakPolarHBondContact O-CE 3.22Å
247A80Confident86.6Confident62 Ų6262.4 Ų62.451%0.51232%0.319SS..THydrogen-bonded Turntrans58.431-175.600000115.1T249 M250 K251A247-T249 VanDerWaalsContact C-N 3.31Å; A247-T249 PolarHBondContact O-N 3.21Å; A247-M250 PolarHBondContact O-N 3.12Å; A247-M250 VanDerWaalsContact O-N 3.17Å; A247-K251 PolarHBondContact O-N 2.88Å; A247-K251 VanDerWaalsContact O-N 3.1Å
248R80.4Confident86.7Confident42 Ų4266.4 Ų66.416%0.15834%0.337CS..Hα-helixtrans-46.7-49.3-179.6-174.7176.170.9-179.76.5113.2S245 P246 M250 K251 V252 I289 L290 R292S245-R248 PolarHBondContact O-N 2.85Å; P246-R248 VanDerWaalsContact C-N 3.27Å; P246-R248 PolarHBondContact O-N 3.31Å; R248-M250 PolarHBondContact O-N 3.12Å; R248-K251 PolarHBondContact O-N 3.02Å; R248-V252 HydrophobicContact CG-CG2 4.24Å; R248-V252 VanDerWaalsContact O-CG2 3.24Å; R248-V252 WeakPolarHBondContact O-CG2 3.49Å; R248-V252 PolarHBondContact O-N 2.91Å; R248-I289 HydrophobicContact CG-CG2 3.83Å; R248-I289 PolarHBondContact NE-O 3.2Å; R248-I289 PolarHBondContact NH1-O 3.03Å; R248-L290 PolarHBondContact NH2-O 2.86Å; R248-R292 VanDerWaalsContact CZ-O 3.31Å; R248-R292 PolarHBondContact NH1-O 2.86Å; R248-R292 PolarHBondContact NH2-O 3.05Å
249T84.1Confident86.8Confident85 Ų8565.8 Ų65.852%0.52133%0.332SS..Hα-helixtrans-59.1-48.2-177.9-50.80000112.2A247 K251 V252 V253 L290A247-T249 VanDerWaalsContact C-N 3.31Å; A247-T249 PolarHBondContact O-N 3.21Å; T249-K251 PolarHBondContact O-N 3.47Å; T249-V252 PolarHBondContact O-N 2.9Å; T249-V253 VanDerWaalsContact O-CG2 3.29Å; T249-V253 WeakPolarHBondContact O-CG2 3.43Å; T249-V253 PolarHBondContact O-N 3.12Å; T249-L290 HydrophobicContact CG2-CD2 3.89Å
250M89.1Confident86.9Confident145 Ų14561.4 Ų61.471%0.71432%0.319SS*.Hα-helixtrans-61.5-45.1178.7-177.2-175.3176.800111.2A247 R248 V252 V253 L254A247-M250 PolarHBondContact O-N 3.12Å; A247-M250 VanDerWaalsContact O-N 3.17Å; R248-M250 PolarHBondContact O-N 3.12Å; M250-V252 PolarHBondContact O-N 3.18Å; M250-V253 PolarHBondContact O-N 2.94Å; M250-L254 WeakPolarHBondContact O-CB 3.27Å; M250-L254 PolarHBondContact O-N 3Å
251K90.1Very high87.1Confident88 Ų8865.8 Ų65.838%0.38334%0.342SS..Hα-helixtrans-63.3-42.9179.4-65-176.6-176.4-170.20111.8L240 S245 P246 A247 R248 T249 L254 M255L240-K251 HydrophobicContact CD1-CB 3.72Å; L240-K251 HydrophobicContact CD2-CB 4.21Å; L240-K251 HydrophobicContact CD2-CD 3.99Å; S245-K251 WeakPolarHBondContact OG-CE 3.31Å; S245-K251 PolarHBondContact OG-NZ 2.86Å; P246-K251 WeakPolarHBondContact O-CE 3.22Å; A247-K251 PolarHBondContact O-N 2.88Å; A247-K251 VanDerWaalsContact O-N 3.1Å; R248-K251 PolarHBondContact O-N 3.02Å; T249-K251 PolarHBondContact O-N 3.47Å; K251-L254 PolarHBondContact O-N 2.94Å; K251-M255 VanDerWaalsContact O-CG 3.32Å; K251-M255 WeakPolarHBondContact O-CG 3.18Å; K251-M255 PolarHBondContact O-N 3.3Å
252V90.2Very high87.2Confident1 Ų165.5 Ų65.51%0.00634%0.344CS..Hα-helixtrans-63.9-46.5177.9172.30000111.4L240 R248 T249 M250 L254 M255 L256 I289 L290L240-V252 HydrophobicContact CD1-CG2 4.06Å; R248-V252 HydrophobicContact CG-CG2 4.24Å; R248-V252 VanDerWaalsContact O-CG2 3.24Å; R248-V252 WeakPolarHBondContact O-CG2 3.49Å; R248-V252 PolarHBondContact O-N 2.91Å; T249-V252 PolarHBondContact O-N 2.9Å; M250-V252 PolarHBondContact O-N 3.18Å; V252-L254 VanDerWaalsContact C-N 3.31Å; V252-L254 PolarHBondContact O-N 3.48Å; V252-M255 PolarHBondContact O-N 2.88Å; V252-L256 WeakPolarHBondContact O-CB 3.23Å; V252-L256 PolarHBondContact O-N 3.16Å; V252-I289 HydrophobicContact CG2-CB 3.98Å; V252-I289 HydrophobicContact CG2-CD1 4.13Å; V252-I289 HydrophobicContact CG2-CG2 3.4Å; V252-L290 HydrophobicContact CG1-CG 4.31Å
253V92.3Very high87.5Confident83 Ų8361.8 Ų61.850%0.50332%0.324SS..Hα-helixtrans-61.2-42177.8171.10000110.9T249 M250 L256 L257T249-V253 VanDerWaalsContact O-CG2 3.29Å; T249-V253 WeakPolarHBondContact O-CG2 3.43Å; T249-V253 PolarHBondContact O-N 3.12Å; M250-V253 PolarHBondContact O-N 2.94Å; V253-L256 PolarHBondContact O-N 2.8Å; V253-L257 WeakPolarHBondContact O-CB 3.17Å; V253-L257 PolarHBondContact O-N 3.3Å
254L93.6Very high87.8Confident74 Ų7461 Ų6139%0.38732%0.323SS..Hα-helixtrans-62.6-44.7176.5-176.366.2000111.9M250 K251 V252 L257 F258M250-L254 WeakPolarHBondContact O-CB 3.27Å; M250-L254 PolarHBondContact O-N 3Å; K251-L254 PolarHBondContact O-N 2.94Å; V252-L254 VanDerWaalsContact C-N 3.31Å; V252-L254 PolarHBondContact O-N 3.48Å; L254-L257 PolarHBondContact O-N 3.29Å; L254-F258 HydrophobicContact CD1-CD2 4.29Å; L254-F258 HydrophobicContact CD1-CE2 3.64Å; L254-F258 HydrophobicContact CD1-CZ 3.91Å; L254-F258 HydrophobicContact CD2-CE2 3.97Å; L254-F258 HydrophobicContact CG-CD2 3.99Å; L254-F258 HydrophobicContact CG-CE2 3.5Å; L254-F258 VanDerWaalsContact CG-CE2 3.5Å; L254-F258 HydrophobicContact CG-CZ 4.27Å; L254-F258 WeakPolarHBondContact O-CD2 3.43Å; L254-F258 PolarHBondContact O-N 3.44Å
255M91.7Very high88.4Confident26 Ų2661.7 Ų61.713%0.12833%0.326CS..Hα-helixtrans-64.5-41.6176.8-67.2-53.9102.700111.8A233 F236 Q237 L240 K251 V252 L257 F258 I259A233-M255 HydrophobicContact CB-CB 4.44Å; A233-M255 HydrophobicContact CB-SD 3.95Å; F236-M255 HydrophobicContact CB-CG 4.09Å; F236-M255 HydrophobicContact CB-SD 3.63Å; F236-M255 HydrophobicContact CG-SD 4.25Å; Q237-M255 HydrophobicContact CG-CB 3.85Å; Q237-M255 HydrophobicContact CG-CG 4.45Å; L240-M255 HydrophobicContact CD1-CG 4.42Å; K251-M255 VanDerWaalsContact O-CG 3.32Å; K251-M255 WeakPolarHBondContact O-CG 3.18Å; K251-M255 PolarHBondContact O-N 3.3Å; V252-M255 PolarHBondContact O-N 2.88Å; M255-L257 VanDerWaalsContact C-N 3.32Å; M255-L257 PolarHBondContact O-N 2.97Å; M255-F258 HydrophobicContact CE-CD2 3.82Å; M255-F258 HydrophobicContact CE-CE2 4.02Å; M255-F258 PolarHBondContact O-N 2.85Å; M255-I259 VanDerWaalsContact O-CG1 3.31Å; M255-I259 WeakPolarHBondContact O-CG1 3.28Å; M255-I259 PolarHBondContact O-N 3.45Å
256L93.5Very high88.8Confident28 Ų2861.4 Ų61.415%0.14732%0.323CS..Hα-helixtrans-60.5-43175.8-178.962.6000111.2V252 V253 I259 C260 A282 F283V252-L256 WeakPolarHBondContact O-CB 3.23Å; V252-L256 PolarHBondContact O-N 3.16Å; V253-L256 PolarHBondContact O-N 2.8Å; L256-I259 PolarHBondContact O-N 3.41Å; L256-C260 WeakPolarHBondContact O-CB 3.28Å; L256-C260 PolarHBondContact O-N 3.33Å; L256-C260 PolarHBondContact O-SG 2.89Å; L256-A282 HydrophobicContact CD1-CB 3.77Å; L256-F283 HydrophobicContact CD1-CD1 4.4Å; L256-F283 HydrophobicContact CD1-CD2 4.23Å; L256-F283 HydrophobicContact CD1-CE2 4.35Å; L256-F283 HydrophobicContact CD1-CG 4.24Å; L256-F283 HydrophobicContact CD1-CZ 4.5Å; L256-F283 HydrophobicContact CD2-CD1 3.97Å; L256-F283 HydrophobicContact CD2-CE1 3.73Å; L256-F283 HydrophobicContact CD2-CZ 4.17Å
257L94Very high89.2Confident90 Ų9062 Ų6247%0.47132%0.318SS..Hα-helixtrans-60.2-47176.2-177.568.2000111.4V253 L254 M255 I259 C260 L261V253-L257 WeakPolarHBondContact O-CB 3.17Å; V253-L257 PolarHBondContact O-N 3.3Å; L254-L257 PolarHBondContact O-N 3.29Å; M255-L257 VanDerWaalsContact C-N 3.32Å; M255-L257 PolarHBondContact O-N 2.97Å; L257-I259 VanDerWaalsContact C-N 3.33Å; L257-I259 PolarHBondContact O-N 2.85Å; L257-C260 PolarHBondContact O-N 2.9Å; L257-L261 HydrophobicContact CD1-CD1 3.99Å; L257-L261 HydrophobicContact CD1-CG 4.08Å; L257-L261 HydrophobicContact CD2-CD1 4.37Å; L257-L261 HydrophobicContact CG-CD1 3.8Å; L257-L261 HydrophobicContact CG-CG 4.25Å; L257-L261 WeakPolarHBondContact O-CB 3.41Å; L257-L261 VanDerWaalsContact O-CG 3.3Å; L257-L261 WeakPolarHBondContact O-CG 3.33Å; L257-L261 PolarHBondContact O-N 3.32Å
258F93.6Very high89.2Confident86 Ų8663 Ų6338%0.37733%0.334SS..Hα-helixtrans-61.6-40177.6-74.3-50.4000112.8V229 A233 L254 M255 G262V229-F258 HydrophobicContact CG1-CB 3.99Å; V229-F258 HydrophobicContact CG1-CD1 4.24Å; V229-F258 HydrophobicContact CG1-CG 4.33Å; A233-F258 HydrophobicContact CB-CB 4.24Å; L254-F258 HydrophobicContact CD1-CD2 4.29Å; L254-F258 HydrophobicContact CD1-CE2 3.64Å; L254-F258 HydrophobicContact CD1-CZ 3.91Å; L254-F258 HydrophobicContact CD2-CE2 3.97Å; L254-F258 HydrophobicContact CG-CD2 3.99Å; L254-F258 HydrophobicContact CG-CE2 3.5Å; L254-F258 VanDerWaalsContact CG-CE2 3.5Å; L254-F258 HydrophobicContact CG-CZ 4.27Å; L254-F258 WeakPolarHBondContact O-CD2 3.43Å; L254-F258 PolarHBondContact O-N 3.44Å; M255-F258 HydrophobicContact CE-CD2 3.82Å; M255-F258 HydrophobicContact CE-CE2 4.02Å; M255-F258 PolarHBondContact O-N 2.85Å; F258-G262 PolarHBondContact O-N 3.34Å
259I92.3Very high89.2Confident0 Ų065.4 Ų65.40%035%0.349CS..Hα-helixtrans-65.9-45.5176.5-64.1164.8000110.3A233 Q237 M255 L256 L257 N263 A282A233-I259 HydrophobicContact CB-CD1 4.06Å; A233-I259 HydrophobicContact CB-CG1 3.59Å; Q237-I259 VanDerWaalsContact CD-CD1 3.48Å; Q237-I259 HydrophobicContact CG-CD1 4.37Å; Q237-I259 VanDerWaalsContact OE1-CD1 3.25Å; M255-I259 VanDerWaalsContact O-CG1 3.31Å; M255-I259 WeakPolarHBondContact O-CG1 3.28Å; M255-I259 PolarHBondContact O-N 3.45Å; L256-I259 PolarHBondContact O-N 3.41Å; L257-I259 VanDerWaalsContact C-N 3.33Å; L257-I259 PolarHBondContact O-N 2.85Å; I259-N263 WeakPolarHBondContact CG2-ND2 3.43Å; I259-N263 WeakPolarHBondContact O-CB 3.4Å; I259-N263 PolarHBondContact O-N 3.29Å; I259-N263 PolarHBondContact O-ND2 3.32Å; I259-A282 HydrophobicContact CB-CB 4.24Å; I259-A282 HydrophobicContact CD1-CB 3.85Å; I259-A282 HydrophobicContact CG2-CB 3.75Å
260C92.8Very high89.2Confident29 Ų2961.8 Ų61.820%0.19633%0.326CS..Hα-helixtrans-62.2-49.8178.2-72.10000111.7L256 L257 N263 M264L256-C260 WeakPolarHBondContact O-CB 3.28Å; L256-C260 PolarHBondContact O-N 3.33Å; L256-C260 PolarHBondContact O-SG 2.89Å; L257-C260 PolarHBondContact O-N 2.9Å; C260-N263 PolarHBondContact O-N 3.07Å; C260-M264 WeakPolarHBondContact O-CB 3.45Å; C260-M264 VanDerWaalsContact O-CG 3.22Å; C260-M264 WeakPolarHBondContact O-CG 3.36Å; C260-M264 PolarHBondContact O-N 3.13Å
261L92.4Very high89.1Confident101 Ų10160.1 Ų60.153%0.52932%0.32SS..Hα-helixtrans-62.8-44.9-179.7-69.7176.6000111.9L257 N263 M264 Y265L257-L261 HydrophobicContact CD1-CD1 3.99Å; L257-L261 HydrophobicContact CD1-CG 4.08Å; L257-L261 HydrophobicContact CD2-CD1 4.37Å; L257-L261 HydrophobicContact CG-CD1 3.8Å; L257-L261 HydrophobicContact CG-CG 4.25Å; L257-L261 WeakPolarHBondContact O-CB 3.41Å; L257-L261 VanDerWaalsContact O-CG 3.3Å; L257-L261 WeakPolarHBondContact O-CG 3.33Å; L257-L261 PolarHBondContact O-N 3.32Å; L261-N263 PolarHBondContact O-N 3.16Å; L261-M264 PolarHBondContact O-N 2.74Å; L261-Y265 PolarHBondContact O-N 2.9Å
262G89.5Confident89Confident8 Ų860.8 Ų60.88%0.08233%0.327CS..Hα-helixtrans-63.4-41.2177.600000112.4F258 Y265 L266F258-G262 PolarHBondContact O-N 3.34Å; G262-Y265 PolarHBondContact O-N 3.05Å; G262-L266 VanDerWaalsContact O-CG 3.3Å; G262-L266 WeakPolarHBondContact O-CG 3.46Å; G262-L266 PolarHBondContact O-N 3.34Å
263N89.2Confident89Confident0 Ų070.8 Ų70.80%037%0.365CS..Hα-helixtrans-71.4-30.1176.7-78.4-77.5000113.6I259 C260 L261 L266 R270 I275 I279I259-N263 WeakPolarHBondContact CG2-ND2 3.43Å; I259-N263 WeakPolarHBondContact O-CB 3.4Å; I259-N263 PolarHBondContact O-N 3.29Å; I259-N263 PolarHBondContact O-ND2 3.32Å; C260-N263 PolarHBondContact O-N 3.07Å; L261-N263 PolarHBondContact O-N 3.16Å; N263-L266 PolarHBondContact O-N 3.08Å; N263-R270 PolarHBondContact OD1-NH1 3.09Å; N263-I275 HydrophobicContact CB-CG2 4.34Å; N263-I279 HydrophobicContact CB-CG1 4.38Å
264M88.1Confident89Confident99 Ų9969.5 Ų69.549%0.48835%0.354SS..Hα-helixtrans-70.1-40172.6-73.5-65.799.600111.9C260 L261 L266 H267 I275 I279C260-M264 WeakPolarHBondContact O-CB 3.45Å; C260-M264 VanDerWaalsContact O-CG 3.22Å; C260-M264 WeakPolarHBondContact O-CG 3.36Å; C260-M264 PolarHBondContact O-N 3.13Å; L261-M264 PolarHBondContact O-N 2.74Å; M264-L266 PolarHBondContact O-N 2.99Å; M264-H267 VanDerWaalsContact O-CB 3.25Å; M264-H267 WeakPolarHBondContact O-CB 3.39Å; M264-H267 PolarHBondContact O-N 2.89Å; M264-H267 VanDerWaalsContact O-N 3.16Å; M264-I275 HydrophobicContact CE-CG2 3.36Å; M264-I279 HydrophobicContact CE-CD1 3.72Å
265Y88.2Confident88.8Confident148 Ų14866.1 Ų66.158%0.5834%0.336SS*.Hα-helixtrans-61.2-35.5174.4-172.1-95000111.7A226 L261 G262 H267A226-Y265 HydrophobicContact CB-CD1 3.47Å; A226-Y265 VanDerWaalsContact CB-CD1 3.47Å; A226-Y265 HydrophobicContact CB-CE1 4.08Å; A226-Y265 HydrophobicContact CB-CG 4.36Å; L261-Y265 PolarHBondContact O-N 2.9Å; G262-Y265 PolarHBondContact O-N 3.05Å; Y265-H267 PolarHBondContact O-N 3.4Å
266L84.9Confident88.8Confident1 Ų169.3 Ų69.31%0.00535%0.353CS..G310 helixtrans-80.214.4177.8-66.8171000114.4A226 F227 G262 N263 M264 G268 L269 R270A226-L266 HydrophobicContact CB-CD1 4.29Å; A226-L266 HydrophobicContact CB-CD2 3.78Å; A226-L266 HydrophobicContact CB-CG 3.84Å; A226-L266 WeakPolarHBondContact O-CD1 3.02Å; F227-L266 HydrophobicContact CD1-CD1 3.6Å; F227-L266 HydrophobicContact CD2-CD1 4.4Å; F227-L266 HydrophobicContact CD2-CD2 4.03Å; F227-L266 HydrophobicContact CE1-CD1 3.53Å; F227-L266 HydrophobicContact CE1-CD2 4.19Å; F227-L266 HydrophobicContact CE1-CG 4.45Å; F227-L266 HydrophobicContact CE2-CD1 4.34Å; F227-L266 HydrophobicContact CE2-CD2 3.59Å; F227-L266 HydrophobicContact CG-CD1 4.04Å; F227-L266 HydrophobicContact CG-CD2 4.49Å; F227-L266 HydrophobicContact CZ-CD1 3.92Å; F227-L266 HydrophobicContact CZ-CD2 3.68Å; F227-L266 HydrophobicContact CZ-CG 4.38Å; G262-L266 VanDerWaalsContact O-CG 3.3Å; G262-L266 WeakPolarHBondContact O-CG 3.46Å; G262-L266 PolarHBondContact O-N 3.34Å; N263-L266 PolarHBondContact O-N 3.08Å; M264-L266 PolarHBondContact O-N 2.99Å; L266-G268 PolarHBondContact O-N 3.08Å; L266-G268 VanDerWaalsContact O-N 3.16Å; L266-L269 HydrophobicContact CD2-CB 4.44Å; L266-L269 HydrophobicContact CD2-CD1 3.77Å; L266-L269 PolarHBondContact O-N 3.31Å; L266-R270 HydrophobicContact CB-CG 4.02Å; L266-R270 PolarHBondContact O-N 3.5Å
267H82.8Confident88.8Confident107 Ų10771.8 Ų71.850%0.49536%0.363SS..G310 helixtrans-58.9-28.5-176.9-167.669.5000113.8M264 Y265 I275M264-H267 VanDerWaalsContact O-CB 3.25Å; M264-H267 WeakPolarHBondContact O-CB 3.39Å; M264-H267 PolarHBondContact O-N 2.89Å; M264-H267 VanDerWaalsContact O-N 3.16Å; Y265-H267 PolarHBondContact O-N 3.4Å; H267-I275 HydrophobicContact CB-CD1 4.24Å; H267-I275 WeakPolarHBondContact ND1-CD1 3.4Å
268G79.7Confident88.8Confident81 Ų8167.8 Ų67.884%0.83534%0.342SS*.G310 helixtrans-79.1-25.217500000114.9L266L266-G268 PolarHBondContact O-N 3.08Å; L266-G268 VanDerWaalsContact O-N 3.16Å
269L80.3Confident88.8Confident93 Ų9365.1 Ų65.149%0.48733%0.331SS..THydrogen-bonded Turntrans-98.4-13.1-175.5-71.4168.3000113.2N223 F227 L266N223-L269 HydrophobicContact CB-CD1 4.03Å; F227-L269 HydrophobicContact CE2-CD1 4.25Å; L266-L269 HydrophobicContact CD2-CB 4.44Å; L266-L269 HydrophobicContact CD2-CD1 3.77Å; L266-L269 PolarHBondContact O-N 3.31Å
270R84Confident88.9Confident10 Ų1067 Ų674%0.03835%0.35CS..SBendtrans-123.4140.6-175-60.9-177.967.6134.621.5111N202 N263 L266 I275 H278N202-R270 PolarHBondContact OD1-NH1 3.37Å; N263-R270 PolarHBondContact OD1-NH1 3.09Å; L266-R270 HydrophobicContact CB-CG 4.02Å; L266-R270 PolarHBondContact O-N 3.5Å; R270-I275 HydrophobicContact CB-CD1 4.07Å; R270-I275 HydrophobicContact CB-CG1 3.72Å; R270-H278 PolarHBondContact NH2-CD2 3.06Å; R270-H278 PolarHBondContact NH2-NE2 3.48Å
271N87.4Confident89Confident109 Ų10965.9 Ų65.958%0.58334%0.343SS*.  trans-62.3145.2168.5-69.2-51.1000110.6W273 Q274 I275N271-W273 PolarHBondContact O-N 3.03Å; N271-W273 VanDerWaalsContact O-N 3.15Å; N271-Q274 HydrophobicContact CB-CG 4.17Å; N271-Q274 WeakPolarHBondContact O-CA 3.45Å; N271-Q274 WeakPolarHBondContact O-CB 3.21Å; N271-Q274 PolarHBondContact O-N 2.8Å; N271-I275 PolarHBondContact O-N 2.81Å; N271-I275 VanDerWaalsContact O-N 3.15Å
272L89.2Confident89Confident103 Ų10361.1 Ų61.154%0.53932%0.318SS..Hα-helixtrans-51-41.9178-176.766.3000112.4Q274 I275 L276L272-Q274 VanDerWaalsContact C-N 3.3Å; L272-Q274 PolarHBondContact O-N 3.02Å; L272-I275 PolarHBondContact O-N 2.88Å; L272-L276 HydrophobicContact CG-CD1 4.19Å; L272-L276 WeakPolarHBondContact O-CG 3.46Å; L272-L276 PolarHBondContact O-N 3.48Å
273W89.9Confident89.2Confident210 Ų21066.2 Ų66.280%0.79534%0.338SS*.Hα-helixtrans-59.4-37.1175.7-68.8110.2000113.7N271 F277N271-W273 PolarHBondContact O-N 3.03Å; N271-W273 VanDerWaalsContact O-N 3.15Å; W273-F277 WeakPolarHBondContact O-CB 3.12Å; W273-F277 PolarHBondContact O-N 2.86Å
274Q91.2Very high89.4Confident57 Ų5768.6 Ų68.627%0.26635%0.351SS..Hα-helixtrans-72.7-35.9178.5-65.2173.9-9.600111.4N271 L272 F277 H278N271-Q274 HydrophobicContact CB-CG 4.17Å; N271-Q274 WeakPolarHBondContact O-CA 3.45Å; N271-Q274 WeakPolarHBondContact O-CB 3.21Å; N271-Q274 PolarHBondContact O-N 2.8Å; L272-Q274 VanDerWaalsContact C-N 3.3Å; L272-Q274 PolarHBondContact O-N 3.02Å; Q274-F277 PolarHBondContact O-N 2.9Å; Q274-H278 PolarHBondContact O-CD2 3.15Å; Q274-H278 PolarHBondContact O-N 3.02Å; Q274-H278 VanDerWaalsContact O-N 3.12Å
275I90.3Very high89.6Confident2 Ų264.1 Ų64.11%0.0133%0.329CS..Hα-helixtrans-65.6-49.2175.7-64.9170.4000109.5N263 M264 H267 R270 N271 L272 F277 H278 I279N263-I275 HydrophobicContact CB-CG2 4.34Å; M264-I275 HydrophobicContact CE-CG2 3.36Å; H267-I275 HydrophobicContact CB-CD1 4.24Å; H267-I275 WeakPolarHBondContact ND1-CD1 3.4Å; R270-I275 HydrophobicContact CB-CD1 4.07Å; R270-I275 HydrophobicContact CB-CG1 3.72Å; N271-I275 PolarHBondContact O-N 2.81Å; N271-I275 VanDerWaalsContact O-N 3.15Å; L272-I275 PolarHBondContact O-N 2.88Å; I275-F277 VanDerWaalsContact C-N 3.27Å; I275-F277 PolarHBondContact O-N 3.2Å; I275-H278 PolarHBondContact O-N 3.21Å; I275-I279 HydrophobicContact CG2-CD1 3.65Å; I275-I279 HydrophobicContact CG2-CG1 4.43Å; I275-I279 WeakPolarHBondContact O-CB 3.33Å; I275-I279 WeakPolarHBondContact O-CG1 3.25Å; I275-I279 PolarHBondContact O-N 2.89Å
276L92.3Very high89.8Confident94 Ų9457.3 Ų57.349%0.49230%0.303SS..Hα-helixtrans-57.7-40.8176-72.4172.4000111.9L272 G280L272-L276 HydrophobicContact CG-CD1 4.19Å; L272-L276 WeakPolarHBondContact O-CG 3.46Å; L272-L276 PolarHBondContact O-N 3.48Å; L276-G280 PolarHBondContact O-N 2.88Å
277F93.6Very high90.1Very high80 Ų8064.2 Ų64.235%0.35133%0.33SS..Hα-helixtrans-60.6-51.2176.4-179.9-100.1000112.3L194 M197 C198 W273 Q274 I275 I279 G280 V281L194-F277 HydrophobicContact CD2-CZ 4.22Å; M197-F277 HydrophobicContact CE-CE1 3.48Å; M197-F277 VanDerWaalsContact CE-CE1 3.48Å; M197-F277 HydrophobicContact CE-CE2 4.37Å; M197-F277 HydrophobicContact CE-CZ 3.21Å; C198-F277 VanDerWaalsContact SG-CE1 3.55Å; W273-F277 WeakPolarHBondContact O-CB 3.12Å; W273-F277 PolarHBondContact O-N 2.86Å; Q274-F277 PolarHBondContact O-N 2.9Å; I275-F277 VanDerWaalsContact C-N 3.27Å; I275-F277 PolarHBondContact O-N 3.2Å; F277-I279 PolarHBondContact O-N 3.38Å; F277-G280 PolarHBondContact O-N 3.37Å; F277-V281 HydrophobicContact CE1-CG2 4.05Å; F277-V281 HydrophobicContact CE2-CG2 4.02Å; F277-V281 HydrophobicContact CZ-CG2 3.74Å; F277-V281 WeakPolarHBondContact O-CG2 3.41Å; F277-V281 PolarHBondContact O-N 2.82Å
278H93.1Very high90.5Very high5 Ų559.7 Ų59.72%0.02331%0.309CS..Hα-helixtrans-65.4-40.6-179.4-82.3-109.2000112.5C198 N202 R270 Q274 I275 A282C198-H278 PolarHBondContact O-CE1 3.25Å; N202-H278 PolarHBondContact OD1-CE1 3.36Å; R270-H278 PolarHBondContact NH2-CD2 3.06Å; R270-H278 PolarHBondContact NH2-NE2 3.48Å; Q274-H278 PolarHBondContact O-CD2 3.15Å; Q274-H278 PolarHBondContact O-N 3.02Å; Q274-H278 VanDerWaalsContact O-N 3.12Å; I275-H278 PolarHBondContact O-N 3.21Å; H278-A282 WeakPolarHBondContact O-CB 3.31Å; H278-A282 PolarHBondContact O-N 2.81Å
279I93.7Very high90.8Very high30 Ų3056 Ų5615%0.15427%0.27CS..Hα-helixtrans-64.4-45.9176.4-68.4175.5000109.9N263 M264 I275 F277 V281 A282 F283N263-I279 HydrophobicContact CB-CG1 4.38Å; M264-I279 HydrophobicContact CE-CD1 3.72Å; I275-I279 HydrophobicContact CG2-CD1 3.65Å; I275-I279 HydrophobicContact CG2-CG1 4.43Å; I275-I279 WeakPolarHBondContact O-CB 3.33Å; I275-I279 WeakPolarHBondContact O-CG1 3.25Å; I275-I279 PolarHBondContact O-N 2.89Å; F277-I279 PolarHBondContact O-N 3.38Å; I279-V281 PolarHBondContact O-N 2.82Å; I279-A282 WeakPolarHBondContact O-CB 3.39Å; I279-A282 PolarHBondContact O-N 3.47Å; I279-A282 VanDerWaalsContact O-N 3.17Å; I279-F283 HydrophobicContact CG2-CD2 3.56Å; I279-F283 HydrophobicContact CG2-CE2 3.49Å; I279-F283 VanDerWaalsContact CG2-CE2 3.49Å; I279-F283 VanDerWaalsContact O-CD2 3.27Å; I279-F283 WeakPolarHBondContact O-CD2 3.49Å; I279-F283 PolarHBondContact O-N 3.39Å
280G94Very high91Very high39 Ų3954.8 Ų54.840%0.40226%0.264SS..Hα-helixtrans-58.7-45.2177.700000113.2L276 F277 A282 F283 L284L276-G280 PolarHBondContact O-N 2.88Å; F277-G280 PolarHBondContact O-N 3.37Å; G280-A282 VanDerWaalsContact C-N 3.34Å; G280-A282 PolarHBondContact O-N 3.39Å; G280-F283 PolarHBondContact O-N 2.89Å; G280-L284 WeakPolarHBondContact O-CB 3.48Å; G280-L284 PolarHBondContact O-N 3.04Å
281V94.5Very high91Very high7 Ų756.9 Ų56.94%0.04228%0.278CS..Hα-helixtrans-64-38.8175.9172.60000111.7L194 N195 F277 I279 L284 S285L194-V281 HydrophobicContact CB-CG1 3.81Å; L194-V281 HydrophobicContact CB-CG2 3.99Å; L194-V281 HydrophobicContact CD1-CG2 4.48Å; N195-V281 HydrophobicContact CB-CG1 4.22Å; F277-V281 HydrophobicContact CE1-CG2 4.05Å; F277-V281 HydrophobicContact CE2-CG2 4.02Å; F277-V281 HydrophobicContact CZ-CG2 3.74Å; F277-V281 WeakPolarHBondContact O-CG2 3.41Å; F277-V281 PolarHBondContact O-N 2.82Å; I279-V281 PolarHBondContact O-N 2.82Å; V281-L284 PolarHBondContact O-N 3Å; V281-S285 WeakPolarHBondContact O-CB 3.41Å; V281-S285 PolarHBondContact O-N 3.2Å; V281-S285 PolarHBondContact O-OG 3.13Å
282A93.3Very high90.4Very high1 Ų153 Ų531%0.00826%0.255CS..Hα-helixtrans-66.6-38.7177.100000112.2Q237 L256 I259 H278 I279 G280 S286Q237-A282 PolarHBondContact NE2-O 3.26Å; L256-A282 HydrophobicContact CD1-CB 3.77Å; I259-A282 HydrophobicContact CB-CB 4.24Å; I259-A282 HydrophobicContact CD1-CB 3.85Å; I259-A282 HydrophobicContact CG2-CB 3.75Å; H278-A282 WeakPolarHBondContact O-CB 3.31Å; H278-A282 PolarHBondContact O-N 2.81Å; I279-A282 WeakPolarHBondContact O-CB 3.39Å; I279-A282 PolarHBondContact O-N 3.47Å; I279-A282 VanDerWaalsContact O-N 3.17Å; G280-A282 VanDerWaalsContact C-N 3.34Å; G280-A282 PolarHBondContact O-N 3.39Å; A282-S286 VanDerWaalsContact O-CB 3.28Å; A282-S286 WeakPolarHBondContact O-CB 3.41Å; A282-S286 PolarHBondContact O-N 3.45Å; A282-S286 PolarHBondContact O-OG 3.3Å
283F94.4Very high89.4Confident114 Ų11454.1 Ų54.150%0.526%0.258SS..Hα-helixtrans-66.9-45.9173.3-88.5-76.1000111.8L256 I279 G280 S285 S286 Y287L256-F283 HydrophobicContact CD1-CD1 4.4Å; L256-F283 HydrophobicContact CD1-CD2 4.23Å; L256-F283 HydrophobicContact CD1-CE2 4.35Å; L256-F283 HydrophobicContact CD1-CG 4.24Å; L256-F283 HydrophobicContact CD1-CZ 4.5Å; L256-F283 HydrophobicContact CD2-CD1 3.97Å; L256-F283 HydrophobicContact CD2-CE1 3.73Å; L256-F283 HydrophobicContact CD2-CZ 4.17Å; I279-F283 HydrophobicContact CG2-CD2 3.56Å; I279-F283 HydrophobicContact CG2-CE2 3.49Å; I279-F283 VanDerWaalsContact CG2-CE2 3.49Å; I279-F283 VanDerWaalsContact O-CD2 3.27Å; I279-F283 WeakPolarHBondContact O-CD2 3.49Å; I279-F283 PolarHBondContact O-N 3.39Å; G280-F283 PolarHBondContact O-N 2.89Å; F283-S285 VanDerWaalsContact C-N 3.34Å; F283-S285 PolarHBondContact O-N 3.27Å; F283-S286 PolarHBondContact O-N 3.14Å; F283-Y287 WeakPolarHBondContact O-CB 3.19Å; F283-Y287 PolarHBondContact O-N 3.29Å
284L93.3Very high87.9Confident51 Ų5146.1 Ų46.127%0.26723%0.23SC..Hα-helixtrans-59-46.5176.5-18064.5000111.1L194 G280 V281 Y287 Q288L194-L284 HydrophobicContact CD1-CD2 4.34Å; G280-L284 WeakPolarHBondContact O-CB 3.48Å; G280-L284 PolarHBondContact O-N 3.04Å; V281-L284 PolarHBondContact O-N 3Å; L284-Y287 WeakPolarHBondContact O-CB 3.32Å; L284-Y287 PolarHBondContact O-N 3.42Å; L284-Q288 WeakPolarHBondContact O-CG 3.33Å; L284-Q288 PolarHBondContact O-N 2.98Å
285S91.9Very high86.1Confident5 Ų548.1 Ų48.14%0.03524%0.239CC..Hα-helixtrans-63.7-44.5177.9-58.50000111.5S191 N195 V281 F283 Y287 Q288 I289S191-S285 WeakPolarHBondContact OG-CA 3.4Å; S191-S285 PolarHBondContact OG-N 3.03Å; S191-S285 PolarHBondContact OG-OG 3.15Å; N195-S285 VanDerWaalsContact ND2-CB 3.26Å; N195-S285 WeakPolarHBondContact ND2-CB 2.88Å; N195-S285 PolarHBondContact ND2-OG 3.4Å; V281-S285 WeakPolarHBondContact O-CB 3.41Å; V281-S285 PolarHBondContact O-N 3.2Å; V281-S285 PolarHBondContact O-OG 3.13Å; F283-S285 VanDerWaalsContact C-N 3.34Å; F283-S285 PolarHBondContact O-N 3.27Å; S285-Y287 VanDerWaalsContact C-N 3.31Å; S285-Y287 PolarHBondContact O-N 2.96Å; S285-Q288 PolarHBondContact O-N 2.74Å; S285-I289 WeakPolarHBondContact O-CD1 3.27Å; S285-I289 WeakPolarHBondContact O-CG1 3.11Å; S285-I289 PolarHBondContact O-N 3.28Å
286S92.2Very high84Confident5 Ų554 Ų544%0.03527%0.267CS..Hα-helixtrans-60.6-42.5176-60.10000111.7Q237 A282 F283 I289 L290Q237-S286 PolarHBondContact NE2-OG 3.19Å; A282-S286 VanDerWaalsContact O-CB 3.28Å; A282-S286 WeakPolarHBondContact O-CB 3.41Å; A282-S286 PolarHBondContact O-N 3.45Å; A282-S286 PolarHBondContact O-OG 3.3Å; F283-S286 PolarHBondContact O-N 3.14Å; S286-I289 PolarHBondContact O-N 3.09Å; S286-L290 WeakPolarHBondContact O-CB 3.34Å; S286-L290 WeakPolarHBondContact O-CG 3.35Å; S286-L290 PolarHBondContact O-N 2.77Å
287Y91.2Very high81.5Confident145 Ų14557.1 Ų57.157%0.56928%0.276SS*.Hα-helixtrans-60.3-50.8175.5-179-100000110.9F283 L284 S285 I289 L290 T291F283-Y287 WeakPolarHBondContact O-CB 3.19Å; F283-Y287 PolarHBondContact O-N 3.29Å; L284-Y287 WeakPolarHBondContact O-CB 3.32Å; L284-Y287 PolarHBondContact O-N 3.42Å; S285-Y287 VanDerWaalsContact C-N 3.31Å; S285-Y287 PolarHBondContact O-N 2.96Å; Y287-I289 VanDerWaalsContact C-N 3.32Å; Y287-I289 PolarHBondContact O-N 3.09Å; Y287-L290 PolarHBondContact O-N 3.15Å; Y287-L290 VanDerWaalsContact O-N 3.12Å; Y287-T291 HydrophobicContact CD1-CG2 4.11Å; Y287-T291 HydrophobicContact CD2-CG2 4.07Å; Y287-T291 HydrophobicContact CE1-CG2 3.75Å; Y287-T291 HydrophobicContact CE2-CG2 3.69Å; Y287-T291 HydrophobicContact CG-CG2 4.27Å; Y287-T291 WeakPolarHBondContact O-CG2 3.42Å; Y287-T291 PolarHBondContact O-N 3.4Å; Y287-T291 PolarHBondContact O-OG1 2.88Å
288Q90.3Very high78.9Confident13 Ų1360.7 Ų60.76%0.06129%0.294CS..Hα-helixtrans-59.5-38.8178-69-58.5-3800113Y241 L284 S285 T291 R292Y241-Q288 HydrophobicContact CD2-CB 4.33Å; Y241-Q288 HydrophobicContact CE2-CB 3.86Å; L284-Q288 WeakPolarHBondContact O-CG 3.33Å; L284-Q288 PolarHBondContact O-N 2.98Å; S285-Q288 PolarHBondContact O-N 2.74Å; Q288-T291 WeakPolarHBondContact CA-OG1 3.44Å; Q288-T291 PolarHBondContact O-OG1 2.91Å; Q288-R292 WeakPolarHBondContact O-CB 3.49Å; Q288-R292 PolarHBondContact O-N 3.06Å; Q288-R292 VanDerWaalsContact O-N 3.09Å
289I85.9Confident76.4Confident2 Ų265.1 Ų65.11%0.0133%0.326CS..Hα-helixtrans-67.4-39177.1-61.3158.6000111Q237 L240 Y241 R248 V252 S285 S286 Y287Q237-I289 HydrophobicContact CB-CD1 4.12Å; Q237-I289 HydrophobicContact CG-CD1 4.41Å; Q237-I289 WeakPolarHBondContact O-CD1 3.46Å; L240-I289 HydrophobicContact CB-CD1 4.43Å; L240-I289 HydrophobicContact CB-CG2 4.33Å; Y241-I289 HydrophobicContact CD2-CG1 3.74Å; Y241-I289 HydrophobicContact CG-CG1 4.25Å; R248-I289 HydrophobicContact CG-CG2 3.83Å; R248-I289 PolarHBondContact NE-O 3.2Å; R248-I289 PolarHBondContact NH1-O 3.03Å; V252-I289 HydrophobicContact CG2-CB 3.98Å; V252-I289 HydrophobicContact CG2-CD1 4.13Å; V252-I289 HydrophobicContact CG2-CG2 3.4Å; S285-I289 WeakPolarHBondContact O-CD1 3.27Å; S285-I289 WeakPolarHBondContact O-CG1 3.11Å; S285-I289 PolarHBondContact O-N 3.28Å; S286-I289 PolarHBondContact O-N 3.09Å; Y287-I289 VanDerWaalsContact C-N 3.32Å; Y287-I289 PolarHBondContact O-N 3.09Å
290L86.1Confident73.8Confident68 Ų6870.8 Ų70.836%0.35636%0.356SS..Hα-helixtrans-74.3-37.5-179.7-69.2171.8000112.3R248 T249 V252 S286 Y287R248-L290 PolarHBondContact NH2-O 2.86Å; T249-L290 HydrophobicContact CG2-CD2 3.89Å; V252-L290 HydrophobicContact CG1-CG 4.31Å; S286-L290 WeakPolarHBondContact O-CB 3.34Å; S286-L290 WeakPolarHBondContact O-CG 3.35Å; S286-L290 PolarHBondContact O-N 2.77Å; Y287-L290 PolarHBondContact O-N 3.15Å; Y287-L290 VanDerWaalsContact O-N 3.12Å
291T82.8Confident71Confident55 Ų5574.7 Ų74.734%0.33738%0.376SS..Hα-helixtrans-78.9-20.9179.855.80000113.5Y287 Q288 Q293Y287-T291 HydrophobicContact CD1-CG2 4.11Å; Y287-T291 HydrophobicContact CD2-CG2 4.07Å; Y287-T291 HydrophobicContact CE1-CG2 3.75Å; Y287-T291 HydrophobicContact CE2-CG2 3.69Å; Y287-T291 HydrophobicContact CG-CG2 4.27Å; Y287-T291 WeakPolarHBondContact O-CG2 3.42Å; Y287-T291 PolarHBondContact O-N 3.4Å; Y287-T291 PolarHBondContact O-OG1 2.88Å; Q288-T291 WeakPolarHBondContact CA-OG1 3.44Å; Q288-T291 PolarHBondContact O-OG1 2.91Å; T291-Q293 PolarHBondContact O-N 2.95Å
292R76.3Confident68.2Low28 Ų2877 Ų7711%0.10640%0.401CS..  trans-65105.7177.4-167172.7-173.8-168.2-2.1109.7M181 E182 Y241 R248 Q288M181-R292 VanDerWaalsContact SD-CZ 3.57Å; E182-R292 PolarHBondContact O-NE 3.19Å; E182-R292 VanDerWaalsContact O-NE 3.11Å; E182-R292 PolarHBondContact O-NH2 2.88Å; Y241-R292 PolarHBondContact O-NH1 2.82Å; R248-R292 VanDerWaalsContact CZ-O 3.31Å; R248-R292 PolarHBondContact NH1-O 2.86Å; R248-R292 PolarHBondContact NH2-O 3.05Å; Q288-R292 WeakPolarHBondContact O-CB 3.49Å; Q288-R292 PolarHBondContact O-N 3.06Å; Q288-R292 VanDerWaalsContact O-N 3.09Å
293Q66.7Low65.4Low126 Ų12686.6 Ų86.659%0.58946%0.459SS*.  trans-75.8150.2178.7-67.8-69.1-1400110.1T291 Q295T291-Q293 PolarHBondContact O-N 2.95Å; Q293-Q295 PolarHBondContact O-N 3.15Å
294L59.5Low64Low42 Ų4285.3 Ų85.322%0.2246%0.457CS..EExtended strand (participates in β ladder)trans-77111.7162.3-73.9175000106.2F179 M181 Y244 E296F179-L294 HydrophobicContact CB-CB 4.35Å; F179-L294 HydrophobicContact CB-CD1 4.18Å; F179-L294 HydrophobicContact CB-CD2 4.13Å; F179-L294 HydrophobicContact CB-CG 4.46Å; F179-L294 HydrophobicContact CD1-CB 3.75Å; F179-L294 HydrophobicContact CD1-CD1 3.93Å; F179-L294 HydrophobicContact CD1-CG 4.41Å; F179-L294 HydrophobicContact CD2-CD1 4.41Å; F179-L294 HydrophobicContact CE1-CB 4.42Å; F179-L294 HydrophobicContact CE1-CD1 4.38Å; F179-L294 HydrophobicContact CG-CB 4.33Å; F179-L294 HydrophobicContact CG-CD1 3.95Å; M181-L294 HydrophobicContact CG-CD2 4.2Å; Y244-L294 HydrophobicContact CD2-CD1 4.09Å; Y244-L294 HydrophobicContact CD2-CD2 3.75Å; Y244-L294 HydrophobicContact CD2-CG 4.25Å; Y244-L294 HydrophobicContact CE2-CD1 3.54Å; Y244-L294 HydrophobicContact CE2-CD2 4.1Å; Y244-L294 HydrophobicContact CE2-CG 4.11Å; Y244-L294 HydrophobicContact CG-CD2 4.39Å; L294-E296 PolarHBondContact O-N 3.14Å
295Q52.6Low62.4Low98 Ų9887.1 Ų87.146%0.45847%0.467SS..EExtended strand (participates in β ladder)trans-77.7116.5175.9-165171.8-4.500107.6R180 Q293 K297R180-Q295 PolarHBondContact N-O 2.95Å; R180-Q295 PolarHBondContact O-N 3.18Å; R180-Q295 VanDerWaalsContact O-O 3.09Å; Q293-Q295 PolarHBondContact O-N 3.15Å; Q295-K297 PolarHBondContact O-N 2.86Å
296E45.7Very low60.8Low126 Ų12691.6 Ų91.659%0.58949%0.492SS*.EExtended strand (participates in β ladder)trans-63.3127.4164.2-168.1170.4-171.100107.1L294 Q298L294-E296 PolarHBondContact O-N 3.14Å; E296-Q298 PolarHBondContact O-N 3.44Å
297K40.9Very low58.9Low159 Ų15996.7 Ų96.769%0.69152%0.518SS*.  trans-61.6103.9174-177.9-173.4174-169.40107.2Q295 S299Q295-K297 PolarHBondContact O-N 2.86Å; K297-S299 PolarHBondContact O-N 3.48Å
298Q39.4Very low56.9Low156 Ų15693.7 Ų93.773%0.72952%0.515SS*.  trans-55.2125.5167.5-144.9170.4-2200106.8E296 D300E296-Q298 PolarHBondContact O-N 3.44Å; Q298-D300 PolarHBondContact O-N 3.42Å
299S39Very low54.7Low98 Ų9899.1 Ų99.169%0.68555%0.546SS*.  trans-65.488.1174.6-1780000107.8K297 C301K297-S299 PolarHBondContact O-N 3.48Å; S299-C301 PolarHBondContact O-N 3.46Å
300D40.7Very low52.5Low148 Ų148106 Ų10679%0.79158%0.584SS**  trans-64.285.5161-83.5-21.9000107Q298 G302Q298-D300 PolarHBondContact O-N 3.42Å; D300-G302 PolarHBondContact O-N 3.2Å
301C35Very low49.9Very low121 Ų121108.9 Ų108.982%0.81860%0.601SS**  trans-68.383.4151-71.80000106.3S299S299-C301 PolarHBondContact O-N 3.46Å
302G36Very low47.1Very low55 Ų55113.4 Ų113.457%0.56762%0.623SS**  trans-126.4106.517400000109.3D300D300-G302 PolarHBondContact O-N 3.2Å
303V33.9Very low44.5Very low204 Ų204121.2 Ų121.2100%1.23667%0.67SS**  trans79.10172.4-150.40000116.9

Retrieved 303 of 303 residues in 691.1 ms (Link to these results)

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