A0A060WDK8_ONCMY Loading...

small monomeric GTPase

AlphaFold DB , UniProt , Accession A0A060WDK8, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene RAB8A, Length 206 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M48.1Very low83Confident245 Ų24582.5 Ų82.5100%1.20743%0.43SS*.  0128.90-68.6178.8-16100108
2A53.9Low84Confident93 Ų9375.6 Ų75.677%0.76939%0.394SS*.  trans-61.5137.4179.300000110.4T4A2-T4 PolarHBondContact O-N 3.38Å; A2-T4 VanDerWaalsContact O-N 3.13Å
3K63Low84.8Confident178 Ų17869.8 Ų69.877%0.77436%0.364SS*.  trans-59.7116.9172.9-87.8-177.2174.8178.80108.4Y5K3-Y5 PolarHBondContact O-N 3.41Å
4T85.1Confident85.4Confident105 Ų10564.8 Ų64.864%0.64434%0.338SS*.SBendtrans-82.73.6-179.651.90000113.6A2A2-T4 PolarHBondContact O-N 3.38Å; A2-T4 VanDerWaalsContact O-N 3.13Å
5Y89.9Confident86Confident64 Ų6460.5 Ų60.525%0.25132%0.315SS..  trans-147.7149.9-179.160.7-90.5000110.5K3 Y7 L8 K58K3-Y5 PolarHBondContact O-N 3.41Å; Y5-Y7 VanDerWaalsContact CD2-O 3.23Å; Y5-Y7 WeakPolarHBondContact CD2-O 3.27Å; Y5-L8 HydrophobicContact CD2-CB 4.39Å; Y5-L8 HydrophobicContact CE2-CB 3.78Å; Y5-K58 HydrophobicContact CD1-CB 4.34Å; Y5-K58 HydrophobicContact CD1-CD 4.19Å; Y5-K58 HydrophobicContact CD2-CB 4.26Å; Y5-K58 HydrophobicContact CE1-CD 4.19Å; Y5-K58 HydrophobicContact CG-CB 4Å
6D92.9Very high86.3Confident78 Ų7858.3 Ų58.342%0.41730%0.304SS..SBendtrans-82.1-43.6176.6-62.2-95.4000111.3K55 K56D6-K55 HydrophobicContact CB-CB 4.26Å; D6-K55 HydrophobicContact CB-CD 3.91Å; D6-K55 VanDerWaalsContact CG-CD 3.41Å; D6-K55 VanDerWaalsContact OD1-CD 3.27Å; D6-K55 WeakPolarHBondContact OD1-CD 3.36Å; D6-K55 IonicContact OD1-NZ 2.97Å; D6-K55 PolarHBondContact OD1-NZ 3.36Å; D6-K56 PolarHBondContact N-O 2.94Å; D6-K56 PolarHBondContact OD2-N 2.97Å
7Y94.8Very high86.5Confident41 Ų4157.6 Ų57.616%0.16131%0.306CS..EExtended strand (participates in β ladder)trans-128.9151.3-176.6-59.9-91.2000112.3Y5 F9 K55 K56 I57 K58 M173 D174Y5-Y7 VanDerWaalsContact CD2-O 3.23Å; Y5-Y7 WeakPolarHBondContact CD2-O 3.27Å; Y7-F9 HydrophobicContact CD1-CE1 4.07Å; Y7-F9 HydrophobicContact CD1-CZ 4.37Å; Y7-F9 HydrophobicContact CG-CE1 4.09Å; Y7-F9 HydrophobicContact CG-CZ 4.21Å; Y7-K55 HydrophobicContact CD2-CB 4.19Å; Y7-K55 HydrophobicContact CE2-CB 4.01Å; Y7-K55 HydrophobicContact CE2-CD 4.22Å; Y7-K55 HydrophobicContact CE2-CG 3.97Å; Y7-K56 PolarHBondContact N-O 3.29Å; Y7-I57 HydrophobicContact CD2-CG1 4.22Å; Y7-I57 WeakPolarHBondContact O-CA 3.23Å; Y7-K58 PolarHBondContact O-N 3.48Å; Y7-M173 HydrophobicContact CD1-CE 4.47Å; Y7-M173 HydrophobicContact CD1-SD 4.28Å; Y7-D174 PolarHBondContact OH-OD1 3.46Å
8L95.5Very high86.8Confident65 Ų6556 Ų5634%0.3431%0.305SS..EExtended strand (participates in β ladder)trans-123.9115.6172.9178.969.2000108.5Y5 K58 Q60Y5-L8 HydrophobicContact CD2-CB 4.39Å; Y5-L8 HydrophobicContact CE2-CB 3.78Å; L8-K58 CarbonylContact C-O 3.58Å; L8-K58 WeakPolarHBondContact CA-O 3.35Å; L8-K58 HydrophobicContact CD1-CB 3.87Å; L8-K58 HydrophobicContact CD1-CD 3.89Å; L8-K58 HydrophobicContact CD1-CG 3.75Å; L8-Q60 HydrophobicContact CD1-CG 3.74Å
9F97.1Very high87.2Confident0 Ų053.1 Ų53.10%029%0.289CS..EExtended strand (participates in β ladder)trans-111.6129.5178.2-59.8-17.6000111.2Y7 I57 K58 L59 Q60 M82 A166 I169 K170 M173Y7-F9 HydrophobicContact CD1-CE1 4.07Å; Y7-F9 HydrophobicContact CD1-CZ 4.37Å; Y7-F9 HydrophobicContact CG-CE1 4.09Å; Y7-F9 HydrophobicContact CG-CZ 4.21Å; F9-I57 HydrophobicContact CD1-CG2 4.33Å; F9-I57 HydrophobicContact CD2-CG2 3.41Å; F9-I57 VanDerWaalsContact CD2-CG2 3.41Å; F9-I57 HydrophobicContact CE1-CG2 4.4Å; F9-I57 HydrophobicContact CE2-CD1 3.73Å; F9-I57 HydrophobicContact CE2-CG2 3.52Å; F9-I57 HydrophobicContact CG-CG2 3.83Å; F9-I57 HydrophobicContact CZ-CD1 4.07Å; F9-I57 HydrophobicContact CZ-CG2 4.02Å; F9-K58 PolarHBondContact N-O 2.98Å; F9-L59 HydrophobicContact CB-CD2 3.85Å; F9-L59 HydrophobicContact CD2-CD2 3.9Å; F9-L59 HydrophobicContact CG-CD2 4.3Å; F9-Q60 PolarHBondContact O-N 3.33Å; F9-M82 HydrophobicContact CB-SD 4.32Å; F9-M82 HydrophobicContact CD1-CE 3.67Å; F9-M82 HydrophobicContact CD1-SD 3.9Å; F9-M82 HydrophobicContact CE1-CE 4.06Å; F9-M82 HydrophobicContact CG-SD 4.48Å; F9-A166 HydrophobicContact CD2-CB 4.26Å; F9-A166 HydrophobicContact CE2-CB 4.35Å; F9-A166 VanDerWaalsContact CE2-O 3.32Å; F9-A166 WeakPolarHBondContact CE2-O 3.39Å; F9-I169 HydrophobicContact CD1-CG2 3.83Å; F9-I169 HydrophobicContact CD2-CB 4.16Å; F9-I169 HydrophobicContact CD2-CD1 4.36Å; F9-I169 HydrophobicContact CD2-CG2 3.92Å; F9-I169 HydrophobicContact CE1-CG2 3.84Å; F9-I169 HydrophobicContact CE2-CB 4.05Å; F9-I169 HydrophobicContact CE2-CG2 3.91Å; F9-I169 HydrophobicContact CG-CG2 3.91Å; F9-I169 HydrophobicContact CZ-CB 4.4Å; F9-I169 HydrophobicContact CZ-CG2 3.88Å; F9-K170 HydrophobicContact CE2-CB 4.18Å; F9-K170 HydrophobicContact CZ-CB 3.89Å; F9-M173 HydrophobicContact CD1-SD 4.22Å; F9-M173 HydrophobicContact CE1-SD 3.49Å; F9-M173 WeakPolarHBondContact CE1-SD 3.34Å; F9-M173 HydrophobicContact CZ-SD 4.29Å
10K95.9Very high87.5Confident38 Ų3851 Ų5117%0.16528%0.28CS..EExtended strand (participates in β ladder)trans-92.7116.2170.9-178.3176.5169.3-172.60109.5Q60 Y77 R79 M82 G83K10-Q60 CarbonylContact C-O 3.54Å; K10-Q60 WeakPolarHBondContact CA-O 3.48Å; K10-Y77 WeakPolarHBondContact CE-O 3.46Å; K10-Y77 PolarHBondContact NZ-O 3.45Å; K10-Y77 VanDerWaalsContact NZ-O 3.11Å; K10-R79 PolarHBondContact NZ-O 2.7Å; K10-M82 PolarHBondContact O-N 2.97Å; K10-G83 PolarHBondContact O-N 2.91Å
11L96.8Very high87.8Confident0 Ų048.9 Ų48.90%027%0.268CS..EExtended strand (participates in β ladder)trans-110.8146.9176.8-54.7-173.7000110.6L59 Q60 I61 W62 G83 F162 L165 I169L11-L59 HydrophobicContact CD1-CD1 4.25Å; L11-L59 HydrophobicContact CD1-CD2 4.23Å; L11-Q60 PolarHBondContact N-O 3.08Å; L11-I61 HydrophobicContact CB-CG1 4.26Å; L11-I61 HydrophobicContact CB-CG2 4.36Å; L11-I61 HydrophobicContact CD1-CG1 4.28Å; L11-I61 WeakPolarHBondContact O-CA 3.19Å; L11-W62 PolarHBondContact O-N 3.01Å; L11-G83 CarbonylContact C-O 3.55Å; L11-G83 VanDerWaalsContact CA-O 3.29Å; L11-G83 WeakPolarHBondContact CA-O 3.43Å; L11-F162 HydrophobicContact CD1-CD1 4.04Å; L11-L165 HydrophobicContact CD2-CD2 4.08Å; L11-L165 HydrophobicContact CD2-CG 4.49Å; L11-I169 HydrophobicContact CD2-CD1 3.4Å; L11-I169 VanDerWaalsContact CD2-CD1 3.4Å
12L95Very high89.9Confident0 Ų038.7 Ų38.70%022%0.219CC..EExtended strand (participates in β ladder)trans-127.1131.9176.5-17568000110.1I14 W62 T64 Y78 A81 G83 I84 M85L12-I14 HydrophobicContact CD2-CG2 3.73Å; L12-I14 HydrophobicContact CG-CG2 3.77Å; L12-W62 HydrophobicContact CD1-CB 3.57Å; L12-T64 HydrophobicContact CD1-CG2 3.56Å; L12-T64 HydrophobicContact CG-CG2 4.38Å; L12-Y78 HydrophobicContact CD2-CD1 3.5Å; L12-Y78 HydrophobicContact CD2-CE1 3.61Å; L12-Y78 HydrophobicContact CD2-CG 4.34Å; L12-A81 HydrophobicContact CB-CB 4.49Å; L12-G83 PolarHBondContact N-O 2.85Å; L12-I84 HydrophobicContact CB-CG1 4.23Å; L12-I84 CarbonylContact O-C 3.48Å; L12-I84 WeakPolarHBondContact O-CA 3.39Å; L12-M85 PolarHBondContact O-N 2.79Å
13L94.8Very high91.8Very high0 Ų036 Ų360%019%0.194CC..EExtended strand (participates in β ladder)trans-97.7124.3170-58.6-179.1000109.3K21 L25 I61 W62 T64 M85 F162L13-K21 HydrophobicContact CB-CB 4.29Å; L13-K21 HydrophobicContact CB-CD 4.39Å; L13-K21 HydrophobicContact CD1-CB 4.49Å; L13-L25 HydrophobicContact CD1-CB 3.82Å; L13-I61 HydrophobicContact CD1-CG2 4.24Å; L13-I61 HydrophobicContact CG-CG2 4.08Å; L13-W62 PolarHBondContact N-O 3.18Å; L13-T64 WeakPolarHBondContact O-CG2 3.41Å; L13-T64 PolarHBondContact O-OG1 2.93Å; L13-M85 HydrophobicContact CD2-CB 3.64Å; L13-M85 HydrophobicContact CD2-CG 4.02Å; L13-M85 HydrophobicContact CD2-SD 3.7Å; L13-F162 HydrophobicContact CD1-CZ 4.48Å; L13-F162 HydrophobicContact CD2-CE1 4.25Å; L13-F162 HydrophobicContact CD2-CZ 4.2Å
14I93.5Very high93.4Very high0 Ų027.5 Ų27.50%016%0.158CC..EExtended strand (participates in β ladder)trans-129.5162.4175.969.6172.9000111.2L12 T74 Y78 I84 M85 L86 V87 W102 I106L12-I14 HydrophobicContact CD2-CG2 3.73Å; L12-I14 HydrophobicContact CG-CG2 3.77Å; I14-T74 HydrophobicContact CG2-CG2 4.28Å; I14-Y78 HydrophobicContact CD1-CE1 4.21Å; I14-Y78 HydrophobicContact CG2-CE1 4.14Å; I14-I84 HydrophobicContact CD1-CG2 3.83Å; I14-I84 HydrophobicContact CG1-CG2 3.89Å; I14-I84 HydrophobicContact CG2-CG2 4.42Å; I14-M85 PolarHBondContact N-O 2.93Å; I14-L86 HydrophobicContact CD1-CD2 4.08Å; I14-L86 HydrophobicContact CD1-CG 3.96Å; I14-L86 HydrophobicContact CG1-CB 4.35Å; I14-L86 HydrophobicContact CG1-CD2 4.46Å; I14-L86 HydrophobicContact CG1-CG 3.92Å; I14-L86 CarbonylContact O-C 3.56Å; I14-L86 WeakPolarHBondContact O-CA 3.49Å; I14-V87 PolarHBondContact O-N 3.22Å; I14-W102 HydrophobicContact CB-CE3 4.2Å; I14-W102 HydrophobicContact CB-CZ3 4.42Å; I14-W102 HydrophobicContact CD1-CB 3.98Å; I14-W102 HydrophobicContact CD1-CD2 4.4Å; I14-W102 HydrophobicContact CD1-CE3 3.95Å; I14-W102 HydrophobicContact CD1-CG 4.46Å; I14-W102 HydrophobicContact CG1-CE3 4.42Å; I14-I106 HydrophobicContact CD1-CD1 3.7Å; I14-I106 HydrophobicContact CD1-CG1 3.81Å
15G93.4Very high93.8Very high0 Ų022.6 Ų22.60%013%0.127CC..  trans141.3170.6-175.800000111.6K21 G66 V87G15-K21 PolarHBondContact O-NZ 3Å; G15-G66 WeakPolarHBondContact O-CA 3.5Å; G15-V87 WeakPolarHBondContact CA-O 3.46Å
16D91.8Very high93.9Very high25 Ų2522.6 Ų22.613%0.13413%0.129CC..  trans-63.4165-175.7-74.413.3000113V19 K21 N98 W102D16-V19 HydrophobicContact CB-CG1 3.83Å; D16-V19 WeakPolarHBondContact O-CG2 3.37Å; D16-K21 PolarHBondContact O-NZ 3.17Å; D16-N98 PolarHBondContact OD2-ND2 3.04Å; D16-W102 PolarHBondContact OD1-NE1 2.87Å
17S89.9Confident94Very high48 Ų4820.6 Ų20.634%0.33612%0.116SC..THydrogen-bonded Turntrans-63.7142.5172.8-167.60000110.4V19 G66S17-V19 VanDerWaalsContact C-N 3.26Å; S17-V19 PolarHBondContact O-N 2.89Å; S17-G66 PolarHBondContact N-O 2.94Å
18G90.5Very high94Very high28 Ų2818.9 Ų18.929%0.28911%0.109SC..THydrogen-bonded Turntrans79.7-5.2175.400000116.4G20 K122G18-G20 PolarHBondContact O-N 3.09Å; G18-K122 WeakPolarHBondContact O-CE 3.48Å; G18-K122 PolarHBondContact O-NZ 3.37Å
19V94.7Very high93.8Very high1 Ų117.2 Ų17.21%0.00610%0.103CC..SBendtrans-70.7-18179.1-55.80000113.6D16 S17 K21 V87 D89 N121D16-V19 HydrophobicContact CB-CG1 3.83Å; D16-V19 WeakPolarHBondContact O-CG2 3.37Å; S17-V19 VanDerWaalsContact C-N 3.26Å; S17-V19 PolarHBondContact O-N 2.89Å; V19-K21 HydrophobicContact CG2-CD 4.41Å; V19-K21 HydrophobicContact CG2-CG 3.72Å; V19-V87 HydrophobicContact CB-CG1 4.38Å; V19-V87 HydrophobicContact CG2-CB 3.95Å; V19-V87 HydrophobicContact CG2-CG1 3.91Å; V19-V87 WeakPolarHBondContact CG2-O 3.43Å; V19-D89 HydrophobicContact CB-CB 4.26Å; V19-D89 HydrophobicContact CG1-CB 4.24Å; V19-N121 PolarHBondContact O-ND2 2.82Å
20G93.9Very high93.4Very high10 Ų1022.1 Ų22.110%0.10313%0.126CC..  trans100.324.4174.100000116.1G18 T22 C23 V24G18-G20 PolarHBondContact O-N 3.09Å; G20-T22 PolarHBondContact O-N 2.77Å; G20-C23 PolarHBondContact O-N 3.26Å; G20-C23 VanDerWaalsContact O-N 3.17Å; G20-V24 WeakPolarHBondContact O-CG2 3.42Å; G20-V24 PolarHBondContact O-N 2.84Å
21K94.3Very high93Very high7 Ų725.4 Ų25.43%0.0315%0.145CC..Hα-helixtrans-50.7-53.4175-59.1-174.6-61.7-75.80112.6L13 G15 D16 V19 C23 V24 L25 D63 T64 G66 V87L13-K21 HydrophobicContact CB-CB 4.29Å; L13-K21 HydrophobicContact CB-CD 4.39Å; L13-K21 HydrophobicContact CD1-CB 4.49Å; G15-K21 PolarHBondContact O-NZ 3Å; D16-K21 PolarHBondContact O-NZ 3.17Å; V19-K21 HydrophobicContact CG2-CD 4.41Å; V19-K21 HydrophobicContact CG2-CG 3.72Å; K21-C23 VanDerWaalsContact C-N 3.34Å; K21-C23 PolarHBondContact O-N 2.96Å; K21-V24 WeakPolarHBondContact O-CB 3.42Å; K21-V24 PolarHBondContact O-N 2.97Å; K21-V24 VanDerWaalsContact O-N 3.15Å; K21-L25 PolarHBondContact O-N 3.13Å; K21-D63 VanDerWaalsContact CB-OD1 3.24Å; K21-D63 WeakPolarHBondContact CB-OD1 3.26Å; K21-T64 WeakPolarHBondContact CE-O 3.44Å; K21-G66 VanDerWaalsContact NZ-CA 3.3Å; K21-V87 HydrophobicContact CG-CB 3.93Å; K21-V87 HydrophobicContact CG-CG2 3.96Å
22T92.1Very high92.2Very high31 Ų3127.3 Ų27.319%0.1916%0.161CC..Hα-helixtrans-58.5-43.1177-45.60000112G20 V24 L25 F26 T40 D63G20-T22 PolarHBondContact O-N 2.77Å; T22-V24 PolarHBondContact O-N 3.39Å; T22-L25 PolarHBondContact O-N 2.71Å; T22-F26 HydrophobicContact CG2-CD2 3.64Å; T22-F26 HydrophobicContact CG2-CE2 3.49Å; T22-F26 VanDerWaalsContact CG2-CE2 3.49Å; T22-F26 WeakPolarHBondContact O-CB 3.49Å; T22-F26 VanDerWaalsContact O-CD2 3.23Å; T22-F26 WeakPolarHBondContact O-CD2 3.46Å; T22-F26 PolarHBondContact O-N 2.88Å; T22-T40 PolarHBondContact OG1-OG1 3Å; T22-D63 WeakPolarHBondContact CA-OD2 3.43Å; T22-D63 VanDerWaalsContact CB-OD2 3.23Å; T22-D63 WeakPolarHBondContact CB-OD2 3.38Å; T22-D63 WeakPolarHBondContact CG2-OD2 3.39Å; T22-D63 PolarHBondContact OG1-OD2 2.84Å
23C93.4Very high91.7Very high36 Ų3630.9 Ų30.924%0.24318%0.177CC..Hα-helixtrans-65.7-39.2177.1-55.20000112.1G20 K21 R27 F33 A152G20-C23 PolarHBondContact O-N 3.26Å; G20-C23 VanDerWaalsContact O-N 3.17Å; K21-C23 VanDerWaalsContact C-N 3.34Å; K21-C23 PolarHBondContact O-N 2.96Å; C23-R27 VanDerWaalsContact O-CB 3.27Å; C23-R27 WeakPolarHBondContact O-CB 3.24Å; C23-R27 PolarHBondContact O-N 3.3Å; C23-F33 HydrophobicContact CB-CD2 4.3Å; C23-F33 HydrophobicContact CB-CE2 4.11Å; C23-A152 HydrophobicContact CB-CB 3.67Å
24V95.5Very high90.7Very high0 Ų035.9 Ų35.90%020%0.203CC..Hα-helixtrans-63.6-43.6174.8168.30000110.2G20 K21 T22 F28 L119 A152 V158 F162G20-V24 WeakPolarHBondContact O-CG2 3.42Å; G20-V24 PolarHBondContact O-N 2.84Å; K21-V24 WeakPolarHBondContact O-CB 3.42Å; K21-V24 PolarHBondContact O-N 2.97Å; K21-V24 VanDerWaalsContact O-N 3.15Å; T22-V24 PolarHBondContact O-N 3.39Å; V24-F28 WeakPolarHBondContact O-CB 3.46Å; V24-F28 PolarHBondContact O-N 3.34Å; V24-L119 HydrophobicContact CG1-CD1 4.38Å; V24-A152 HydrophobicContact CG2-CB 4.01Å; V24-V158 HydrophobicContact CG1-CG1 4.28Å; V24-F162 HydrophobicContact CG1-CE2 3.74Å; V24-F162 HydrophobicContact CG1-CZ 4.08Å
25L94.4Very high89.5Confident2 Ų240.8 Ų40.81%0.0124%0.238CC..Hα-helixtrans-61.7-50.7175.4179.854.3000111.7L13 K21 T22 R27 F28 S29 K46 I61 D63L13-L25 HydrophobicContact CD1-CB 3.82Å; K21-L25 PolarHBondContact O-N 3.13Å; T22-L25 PolarHBondContact O-N 2.71Å; L25-R27 VanDerWaalsContact C-N 3.35Å; L25-R27 PolarHBondContact O-N 3.03Å; L25-F28 CarbonylContact O-C 3.59Å; L25-F28 WeakPolarHBondContact O-CB 3.42Å; L25-F28 PolarHBondContact O-N 3.47Å; L25-F28 VanDerWaalsContact O-N 3.13Å; L25-S29 PolarHBondContact O-N 3.45Å; L25-S29 PolarHBondContact O-OG 3.15Å; L25-S29 VanDerWaalsContact O-OG 3.09Å; L25-K46 HydrophobicContact CD1-CB 4.09Å; L25-K46 HydrophobicContact CD1-CG 4.44Å; L25-K46 HydrophobicContact CD2-CB 4.08Å; L25-K46 HydrophobicContact CD2-CG 3.82Å; L25-K46 HydrophobicContact CG-CB 4.29Å; L25-K46 HydrophobicContact CG-CG 4.1Å; L25-I61 HydrophobicContact CD1-CB 3.81Å; L25-I61 HydrophobicContact CD1-CD1 3.74Å; L25-I61 HydrophobicContact CD1-CG1 4.38Å; L25-I61 HydrophobicContact CD1-CG2 3.65Å; L25-I61 HydrophobicContact CD2-CG2 4.38Å; L25-D63 HydrophobicContact CD2-CB 3.64Å
26F92.3Very high88.3Confident64 Ų6445 Ų4528%0.28126%0.263SS..Hα-helixtrans-61.9-42179.7-86.2-63.8000112.4T22 F28 S29 E30T22-F26 HydrophobicContact CG2-CD2 3.64Å; T22-F26 HydrophobicContact CG2-CE2 3.49Å; T22-F26 VanDerWaalsContact CG2-CE2 3.49Å; T22-F26 WeakPolarHBondContact O-CB 3.49Å; T22-F26 VanDerWaalsContact O-CD2 3.23Å; T22-F26 WeakPolarHBondContact O-CD2 3.46Å; T22-F26 PolarHBondContact O-N 2.88Å; F26-F28 VanDerWaalsContact C-N 3.26Å; F26-F28 PolarHBondContact O-N 3.31Å; F26-S29 PolarHBondContact O-N 2.89Å; F26-E30 HydrophobicContact CD1-CG 4.48Å; F26-E30 WeakPolarHBondContact CE1-OE1 3.31Å; F26-E30 PolarHBondContact O-N 2.92Å
27R94.6Very high86.9Confident37 Ų3749.9 Ų49.914%0.1428%0.284CS..Hα-helixtrans-59.3-41.8174.7175.65672.5-173.31.1110.9C23 L25 D31 A32 A152 N155 V158C23-R27 VanDerWaalsContact O-CB 3.27Å; C23-R27 WeakPolarHBondContact O-CB 3.24Å; C23-R27 PolarHBondContact O-N 3.3Å; L25-R27 VanDerWaalsContact C-N 3.35Å; L25-R27 PolarHBondContact O-N 3.03Å; R27-D31 WeakPolarHBondContact CD-OD1 3.49Å; R27-D31 IonicContact CZ-OD1 3.26Å; R27-D31 PolarHBondContact NH1-O 3.32Å; R27-D31 IonicContact NH1-OD1 2.69Å; R27-D31 PolarHBondContact NH1-OD1 3.38Å; R27-D31 VanDerWaalsContact O-CA 3.29Å; R27-D31 WeakPolarHBondContact O-CA 3.42Å; R27-D31 PolarHBondContact O-N 3.11Å; R27-A32 WeakPolarHBondContact CA-O 3.48Å; R27-A32 PolarHBondContact N-O 3.02Å; R27-A152 HydrophobicContact CB-CB 4.41Å; R27-A152 PolarHBondContact NE-O 3.02Å; R27-N155 WeakPolarHBondContact CD-OD1 3.48Å; R27-N155 HydrophobicContact CG-CB 4.43Å; R27-N155 WeakPolarHBondContact CG-OD1 3.37Å; R27-V158 HydrophobicContact CB-CG1 4.17Å; R27-V158 HydrophobicContact CG-CB 4.07Å; R27-V158 HydrophobicContact CG-CG1 3.91Å; R27-V158 HydrophobicContact CG-CG2 3.94Å
28F95.2Very high86Confident4 Ų453.7 Ų53.72%0.01830%0.299CS..Hα-helixtrans-69.1-44.4175.8-179.6-107.5000112.5V24 L25 F26 R48 I50 L59 I61 V158 E159 F162V24-F28 WeakPolarHBondContact O-CB 3.46Å; V24-F28 PolarHBondContact O-N 3.34Å; L25-F28 CarbonylContact O-C 3.59Å; L25-F28 WeakPolarHBondContact O-CB 3.42Å; L25-F28 PolarHBondContact O-N 3.47Å; L25-F28 VanDerWaalsContact O-N 3.13Å; F26-F28 VanDerWaalsContact C-N 3.26Å; F26-F28 PolarHBondContact O-N 3.31Å; F28-R48 HydrophobicContact CE1-CB 4.03Å; F28-R48 HydrophobicContact CE1-CG 4.24Å; F28-R48 WeakPolarHBondContact O-CD 3.32Å; F28-R48 PolarHBondContact O-NH1 2.98Å; F28-I50 HydrophobicContact CZ-CG2 3.99Å; F28-L59 HydrophobicContact CE1-CD1 3.96Å; F28-L59 HydrophobicContact CZ-CD1 3.81Å; F28-I61 HydrophobicContact CD1-CD1 3.65Å; F28-I61 HydrophobicContact CE1-CD1 3.55Å; F28-V158 HydrophobicContact CB-CG1 3.84Å; F28-E159 VanDerWaalsContact CD2-OE2 3.25Å; F28-E159 WeakPolarHBondContact CD2-OE2 3.21Å; F28-E159 VanDerWaalsContact CE2-OE2 3.27Å; F28-E159 WeakPolarHBondContact CE2-OE2 3.47Å; F28-F162 HydrophobicContact CB-CD2 3.74Å; F28-F162 HydrophobicContact CB-CE2 3.52Å; F28-F162 HydrophobicContact CB-CZ 4.22Å; F28-F162 HydrophobicContact CD1-CD1 4.15Å; F28-F162 AromaticContact CD1-CD2 3.93Å; F28-F162 HydrophobicContact CD1-CD2 3.93Å; F28-F162 HydrophobicContact CD1-CE1 4.32Å; F28-F162 HydrophobicContact CD1-CE2 4.11Å; F28-F162 AromaticContact CD1-CG 3.96Å; F28-F162 HydrophobicContact CD1-CG 3.96Å; F28-F162 HydrophobicContact CD1-CZ 4.3Å; F28-F162 HydrophobicContact CD2-CB 3.82Å; F28-F162 AromaticContact CD2-CD2 3.33Å; F28-F162 HydrophobicContact CD2-CD2 3.33Å; F28-F162 HydrophobicContact CD2-CE2 4.05Å; F28-F162 AromaticContact CD2-CG 3.71Å; F28-F162 HydrophobicContact CD2-CG 3.71Å; F28-F162 HydrophobicContact CE1-CB 4.18Å; F28-F162 HydrophobicContact CE1-CD1 4.12Å; F28-F162 HydrophobicContact CE1-CD2 4.38Å; F28-F162 AromaticContact CE1-CG 3.98Å; F28-F162 HydrophobicContact CE1-CG 3.98Å; F28-F162 HydrophobicContact CE2-CB 3.36Å; F28-F162 AromaticContact CE2-CD2 3.86Å; F28-F162 HydrophobicContact CE2-CD2 3.86Å; F28-F162 AromaticContact CE2-CG 3.73Å; F28-F162 HydrophobicContact CE2-CG 3.73Å; F28-F162 HydrophobicContact CG-CB 4.4Å; F28-F162 HydrophobicContact CG-CD1 4.43Å; F28-F162 AromaticContact CG-CD2 3.38Å; F28-F162 HydrophobicContact CG-CD2 3.38Å; F28-F162 AromaticContact CG-CE2 3.63Å; F28-F162 HydrophobicContact CG-CE2 3.63Å; F28-F162 AromaticContact CG-CG 3.83Å; F28-F162 HydrophobicContact CG-CG 3.83Å; F28-F162 HydrophobicContact CG-CZ 4.26Å; F28-F162 HydrophobicContact CZ-CB 3.58Å; F28-F162 HydrophobicContact CZ-CD1 4.37Å; F28-F162 HydrophobicContact CZ-CD2 4.35Å; F28-F162 AromaticContact CZ-CG 3.88Å; F28-F162 HydrophobicContact CZ-CG 3.88Å
29S90.5Very high85.1Confident31 Ų3155.2 Ų55.222%0.21731%0.305CS..Hα-helixtrans-82.5-31.7-170.960.10000114.2L25 F26L25-S29 PolarHBondContact O-N 3.45Å; L25-S29 PolarHBondContact O-OG 3.15Å; L25-S29 VanDerWaalsContact O-OG 3.09Å; F26-S29 PolarHBondContact O-N 2.89Å
30E88.2Confident83.8Confident103 Ų10356.9 Ų56.948%0.48132%0.316SS..Hα-helixtrans-128.20.1-167.4-66.3174.5-156.700113.1F26 A32 K46F26-E30 HydrophobicContact CD1-CG 4.48Å; F26-E30 WeakPolarHBondContact CE1-OE1 3.31Å; F26-E30 PolarHBondContact O-N 2.92Å; E30-A32 HydrophobicContact CB-CB 4.16Å; E30-A32 PolarHBondContact O-N 2.83Å; E30-A32 VanDerWaalsContact O-N 3.11Å; E30-K46 IonicContact OE1-NZ 3.86Å; E30-K46 PolarHBondContact OE1-NZ 2.86Å
31D87.3Confident82.5Confident106 Ų10664 Ų6457%0.56735%0.35SS*.SBendtrans46.836.5-170.8-162.220.5000113.3R27R27-D31 WeakPolarHBondContact CD-OD1 3.49Å; R27-D31 IonicContact CZ-OD1 3.26Å; R27-D31 PolarHBondContact NH1-O 3.32Å; R27-D31 IonicContact NH1-OD1 2.69Å; R27-D31 PolarHBondContact NH1-OD1 3.38Å; R27-D31 VanDerWaalsContact O-CA 3.29Å; R27-D31 WeakPolarHBondContact O-CA 3.42Å; R27-D31 PolarHBondContact O-N 3.11Å
32A82Confident81.3Confident41 Ų4164.7 Ų64.734%0.33936%0.359SS..  trans-121.1151.4-17700000111.1R27 E30R27-A32 WeakPolarHBondContact CA-O 3.48Å; R27-A32 PolarHBondContact N-O 3.02Å; E30-A32 HydrophobicContact CB-CB 4.16Å; E30-A32 PolarHBondContact O-N 2.83Å; E30-A32 VanDerWaalsContact O-N 3.11Å
33F82.5Confident80.6Confident75 Ų7565.2 Ų65.233%0.32936%0.36SS..  trans-135.7125.4170.7176.8-94.1000109.6C23 A152 K153C23-F33 HydrophobicContact CB-CD2 4.3Å; C23-F33 HydrophobicContact CB-CE2 4.11Å; F33-A152 HydrophobicContact CD2-CB 4.19Å; F33-A152 HydrophobicContact CE2-CB 4.3Å; F33-K153 HydrophobicContact CD1-CB 4.45Å; F33-K153 HydrophobicContact CD1-CG 4.21Å; F33-K153 HydrophobicContact CD2-CB 4.24Å; F33-K153 HydrophobicContact CE1-CB 4.11Å; F33-K153 HydrophobicContact CE1-CD 4.35Å; F33-K153 HydrophobicContact CE1-CG 3.85Å; F33-K153 HydrophobicContact CE2-CB 3.88Å; F33-K153 HydrophobicContact CZ-CB 3.81Å; F33-K153 HydrophobicContact CZ-CD 4.43Å; F33-K153 HydrophobicContact CZ-CG 4.03Å
34N75.1Confident80.2Confident104 Ų10466.3 Ų66.356%0.55636%0.363SS*.  trans-109.1123.7171.3-168.3-20.9000108.8T36N34-T36 PolarHBondContact O-N 2.82Å; N34-T36 WeakPolarHBondContact OD1-CB 3.22Å; N34-T36 PolarHBondContact OD1-N 2.63Å; N34-T36 PolarHBondContact OD1-OG1 3.25Å
35S67.8Low79.7Confident103 Ų10369.6 Ų69.672%0.7238%0.377SS*.  trans-73.7-14.9176.854.40000113.2F37S35-F37 PolarHBondContact O-N 3.27Å; S35-F37 VanDerWaalsContact O-N 3.12Å
36T68.6Low79.6Confident88 Ų8872 Ų7254%0.5439%0.388SS..SBendtrans-72.2106.2179.3-43.40000108.7N34 I38N34-T36 PolarHBondContact O-N 2.82Å; N34-T36 WeakPolarHBondContact OD1-CB 3.22Å; N34-T36 PolarHBondContact OD1-N 2.63Å; N34-T36 PolarHBondContact OD1-OG1 3.25Å; T36-I38 HydrophobicContact CG2-CG1 4.2Å; T36-I38 PolarHBondContact O-N 2.68Å
37F62.3Low79.7Confident128 Ų12873 Ų7356%0.56140%0.395SS*.  trans-72.494.2176.5-176.4-104.2000109.8S35 S39S35-F37 PolarHBondContact O-N 3.27Å; S35-F37 VanDerWaalsContact O-N 3.12Å; F37-S39 WeakPolarHBondContact CE1-OG 3.25Å
38I70.1Confident79.7Confident129 Ų12974.3 Ų74.366%0.66240%0.4SS*.PPolyproline II helixtrans-94.9121.2166.6-56.6177000106.5T36 T40T36-I38 HydrophobicContact CG2-CG1 4.2Å; T36-I38 PolarHBondContact O-N 2.68Å; I38-T40 PolarHBondContact O-N 2.89Å
39S71.8Confident79.7Confident59 Ų5977.6 Ų77.641%0.41342%0.42SS..PPolyproline II helixtrans-64.3126.6176-68.70000109.7F37 I41F37-S39 WeakPolarHBondContact CE1-OG 3.25Å; S39-I41 PolarHBondContact O-N 3.43Å
40T66.9Low79.9Confident37 Ų3776.6 Ų76.623%0.22741%0.413CS..PPolyproline II helixtrans-61.3119.3175.1-450000109.4T22 I38 A65T22-T40 PolarHBondContact OG1-OG1 3Å; I38-T40 PolarHBondContact O-N 2.89Å; T40-A65 WeakPolarHBondContact O-CB 3.44Å
41I67.5Low80.3Confident160 Ų16077.8 Ų77.882%0.82142%0.418SS*.  trans-89.3112.8173.6-59.5175.2000107S39S39-I41 PolarHBondContact O-N 3.43Å
42G69.5Low80.6Confident21 Ų2172.9 Ų72.922%0.21639%0.392CS..SBendtrans77.3-128.7179.200000113.4A65G42-A65 WeakPolarHBondContact O-CB 3.23Å; G42-A65 PolarHBondContact O-N 3.4Å
43I77.9Confident81Confident42 Ų4276.1 Ų76.122%0.21540%0.404CS..EExtended strand (participates in β ladder)trans-133.8130-175-68.6172.8000108.2W62 D63 T64 I73 Y77I43-W62 HydrophobicContact CG2-CE3 3.73Å; I43-W62 HydrophobicContact CG2-CZ3 4.4Å; I43-D63 CarbonylContact C-O 3.6Å; I43-D63 VanDerWaalsContact CA-O 3.25Å; I43-D63 WeakPolarHBondContact CA-O 3.44Å; I43-D63 WeakPolarHBondContact CG2-O 3.02Å; I43-T64 HydrophobicContact CD1-CG2 4.41Å; I43-T64 HydrophobicContact CG1-CG2 4.34Å; I43-I73 HydrophobicContact CD1-CG2 3.69Å; I43-Y77 HydrophobicContact CD1-CD1 4.25Å; I43-Y77 HydrophobicContact CD1-CD2 3.3Å; I43-Y77 HydrophobicContact CD1-CE1 4.04Å; I43-Y77 HydrophobicContact CD1-CE2 3.06Å; I43-Y77 HydrophobicContact CD1-CG 3.9Å; I43-Y77 VanDerWaalsContact CD1-CZ 3.43Å; I43-Y77 HydrophobicContact CG1-CE2 4.44Å; I43-Y77 HydrophobicContact CG2-CD1 4.37Å; I43-Y77 HydrophobicContact CG2-CE1 4.02Å
44D83.6Confident81.5Confident59 Ų5975.4 Ų75.432%0.31642%0.418SS..EExtended strand (participates in β ladder)trans-105.2158174.6-165.515.5000110.2D63D44-D63 HydrophobicContact CB-CB 4.44Å; D44-D63 PolarHBondContact N-O 3.47Å; D44-D63 PolarHBondContact O-N 3.27Å
45F86.4Confident82.4Confident68 Ų6874.2 Ų74.230%0.29841%0.407SS..EExtended strand (participates in β ladder)trans-138.2125.8-173.3172.8-101.2000111I47 Q60 I61 W62F45-I47 HydrophobicContact CD1-CG1 4.38Å; F45-I47 HydrophobicContact CE1-CD1 3.6Å; F45-I47 HydrophobicContact CE1-CG1 3.39Å; F45-I47 HydrophobicContact CE2-CG1 4.44Å; F45-I47 HydrophobicContact CZ-CD1 3.72Å; F45-I47 HydrophobicContact CZ-CG1 3.43Å; F45-I47 VanDerWaalsContact CZ-CG1 3.43Å; F45-Q60 HydrophobicContact CE2-CB 3.7Å; F45-Q60 HydrophobicContact CE2-CG 3.88Å; F45-Q60 HydrophobicContact CZ-CB 4.07Å; F45-Q60 HydrophobicContact CZ-CG 3.71Å; F45-I61 WeakPolarHBondContact CA-O 3.3Å; F45-W62 HydrophobicContact CB-CE3 4.11Å; F45-W62 HydrophobicContact CB-CZ3 4.11Å; F45-W62 AromaticContact CD2-CD2 3.67Å; F45-W62 HydrophobicContact CD2-CD2 3.67Å; F45-W62 AromaticContact CD2-CE2 3.53Å; F45-W62 AromaticContact CD2-CE3 3.93Å; F45-W62 HydrophobicContact CD2-CE3 3.93Å; F45-W62 HydrophobicContact CD2-CG 4.21Å; F45-W62 HydrophobicContact CD2-CH2 4.04Å; F45-W62 AromaticContact CD2-CZ2 3.76Å; F45-W62 HydrophobicContact CD2-CZ2 3.76Å; F45-W62 HydrophobicContact CD2-CZ3 4.08Å; F45-W62 AromaticContact CD2-NE1 3.89Å; F45-W62 HydrophobicContact CE2-CD2 4.34Å; F45-W62 AromaticContact CE2-CE2 3.75Å; F45-W62 HydrophobicContact CE2-CH2 4.47Å; F45-W62 AromaticContact CE2-CZ2 3.86Å; F45-W62 HydrophobicContact CE2-CZ2 3.86Å; F45-W62 AromaticContact CE2-NE1 3.81Å; F45-W62 HydrophobicContact CG-CE3 4.42Å; F45-W62 HydrophobicContact CG-CH2 4.46Å; F45-W62 HydrophobicContact CG-CZ3 4.34Å
46K91.4Very high83.7Confident54 Ų5474.5 Ų74.524%0.23540%0.396CS..EExtended strand (participates in β ladder)trans-125.7145.3175.9-67.2-73.9178.6166.50111.1L25 E30 I61L25-K46 HydrophobicContact CD1-CB 4.09Å; L25-K46 HydrophobicContact CD1-CG 4.44Å; L25-K46 HydrophobicContact CD2-CB 4.08Å; L25-K46 HydrophobicContact CD2-CG 3.82Å; L25-K46 HydrophobicContact CG-CB 4.29Å; L25-K46 HydrophobicContact CG-CG 4.1Å; E30-K46 IonicContact OE1-NZ 3.86Å; E30-K46 PolarHBondContact OE1-NZ 2.86Å; K46-I61 PolarHBondContact N-O 3.08Å; K46-I61 PolarHBondContact O-N 3.24Å
47I93.8Very high85.1Confident84 Ų8470.3 Ų70.343%0.43137%0.37SS..EExtended strand (participates in β ladder)trans-113.4127.6172.6-58.6-177.2000108.6F45 K58 L59 Q60F45-I47 HydrophobicContact CD1-CG1 4.38Å; F45-I47 HydrophobicContact CE1-CD1 3.6Å; F45-I47 HydrophobicContact CE1-CG1 3.39Å; F45-I47 HydrophobicContact CE2-CG1 4.44Å; F45-I47 HydrophobicContact CZ-CD1 3.72Å; F45-I47 HydrophobicContact CZ-CG1 3.43Å; F45-I47 VanDerWaalsContact CZ-CG1 3.43Å; I47-K58 HydrophobicContact CG2-CD 3.85Å; I47-K58 HydrophobicContact CG2-CG 3.57Å; I47-L59 VanDerWaalsContact CA-O 3.27Å; I47-L59 WeakPolarHBondContact CA-O 3.36Å; I47-Q60 HydrophobicContact CG1-CG 4.3Å
48R94.4Very high86.7Confident65 Ų6566.5 Ų66.525%0.24535%0.353CS..EExtended strand (participates in β ladder)trans-130.5132.9167.9-173.8170.3170.5-149.3-14.6109.3F28 I50 L59 E159F28-R48 HydrophobicContact CE1-CB 4.03Å; F28-R48 HydrophobicContact CE1-CG 4.24Å; F28-R48 WeakPolarHBondContact O-CD 3.32Å; F28-R48 PolarHBondContact O-NH1 2.98Å; R48-I50 HydrophobicContact CG-CG2 4.36Å; R48-L59 PolarHBondContact N-O 3.21Å; R48-L59 VanDerWaalsContact N-O 3.07Å; R48-L59 WeakPolarHBondContact O-CA 3.24Å; R48-L59 WeakPolarHBondContact O-CB 3.27Å; R48-L59 PolarHBondContact O-N 3.12Å; R48-E159 IonicContact CZ-OE1 3.77Å; R48-E159 IonicContact CZ-OE2 3.42Å; R48-E159 IonicContact NH1-OE1 3.29Å; R48-E159 PolarHBondContact NH1-OE1 3.1Å; R48-E159 IonicContact NH1-OE2 2.86Å; R48-E159 PolarHBondContact NH1-OE2 3.36Å; R48-E159 IonicContact NH2-OE1 3.42Å; R48-E159 PolarHBondContact NH2-OE1 3.31Å; R48-E159 IonicContact NH2-OE2 3.76Å; R48-E159 PolarHBondContact NH2-OE2 3.32Å
49T95.6Very high88Confident72 Ų7260.4 Ų60.444%0.44232%0.322SS..EExtended strand (participates in β ladder)trans-95.1125.7171.5-54.70000108.2K56 I57T49-K56 HydrophobicContact CG2-CB 4.35Å; T49-I57 CarbonylContact C-O 3.58Å; T49-I57 WeakPolarHBondContact CA-O 3.12Å
50I95.6Very high89.1Confident10 Ų1060 Ų605%0.05131%0.313CS..EExtended strand (participates in β ladder)trans-112.1161.2174.862.6166.7000109.4F28 R48 L52 I57 L59 M163 A166F28-I50 HydrophobicContact CZ-CG2 3.99Å; R48-I50 HydrophobicContact CG-CG2 4.36Å; I50-L52 HydrophobicContact CD1-CD1 4.39Å; I50-I57 HydrophobicContact CD1-CB 4.45Å; I50-I57 HydrophobicContact CG1-CB 3.91Å; I50-I57 PolarHBondContact N-O 3.41Å; I50-I57 PolarHBondContact O-N 3.04Å; I50-L59 HydrophobicContact CD1-CD1 3.85Å; I50-L59 HydrophobicContact CD1-CD2 4.32Å; I50-L59 HydrophobicContact CD1-CG 4.2Å; I50-L59 HydrophobicContact CG1-CD1 4.15Å; I50-L59 HydrophobicContact CG1-CG 4.17Å; I50-L59 HydrophobicContact CG2-CD1 4.11Å; I50-M163 HydrophobicContact CB-SD 4.03Å; I50-M163 HydrophobicContact CD1-CE 4.28Å; I50-M163 HydrophobicContact CD1-SD 3.46Å; I50-M163 WeakPolarHBondContact CD1-SD 3.37Å; I50-M163 HydrophobicContact CG1-SD 4.31Å; I50-M163 HydrophobicContact CG2-SD 4.13Å; I50-A166 HydrophobicContact CD1-CB 3.77Å
51E95.4Very high90.5Very high129 Ų12958.3 Ų58.360%0.60330%0.303SS*.EExtended strand (participates in β ladder)trans-110.8126.8169.8-169.3172.1155.500109.1K55E51-K55 WeakPolarHBondContact CA-O 3.27Å
52L94.3Very high91.7Very high3 Ų353.4 Ų53.42%0.01627%0.274CS..EExtended strand (participates in β ladder)trans-141.2119.8-176.7-168.9147.5000108.7I50 G54 K55 I57 M163 A166 R167 K170I50-L52 HydrophobicContact CD1-CD1 4.39Å; L52-G54 VanDerWaalsContact C-N 3.27Å; L52-G54 PolarHBondContact O-N 3.37Å; L52-K55 PolarHBondContact N-O 3.45Å; L52-K55 WeakPolarHBondContact O-CB 3.35Å; L52-K55 PolarHBondContact O-N 2.89Å; L52-I57 HydrophobicContact CB-CD1 3.76Å; L52-I57 HydrophobicContact CB-CG1 4.46Å; L52-I57 HydrophobicContact CD1-CD1 4.5Å; L52-I57 HydrophobicContact CD2-CD1 4.27Å; L52-I57 HydrophobicContact CG-CD1 4.41Å; L52-M163 HydrophobicContact CB-CE 4.45Å; L52-M163 HydrophobicContact CD1-CE 4.1Å; L52-A166 HydrophobicContact CD1-CB 4.12Å; L52-R167 HydrophobicContact CD1-CB 4.03Å; L52-R167 HydrophobicContact CD2-CB 4.43Å; L52-R167 HydrophobicContact CD2-CG 4.36Å; L52-K170 HydrophobicContact CD2-CD 3.59Å
53D91.2Very high92.7Very high109 Ų10952.4 Ų52.458%0.58326%0.264SS*.THydrogen-bonded Turntrans52.442.4-177.1-49.7-29.5000113.1K55D53-K55 PolarHBondContact O-N 3.48Å
54G91.6Very high93Very high60 Ų6050.4 Ų50.462%0.61925%0.254SS*.THydrogen-bonded Turntrans70.79.9-177.700000114.7L52L52-G54 VanDerWaalsContact C-N 3.27Å; L52-G54 PolarHBondContact O-N 3.37Å
55K94.5Very high92.5Very high79 Ų7947.9 Ų47.934%0.34324%0.241SC..EExtended strand (participates in β ladder)trans-109.6134.7177.9-63.9-67.1-172.2-176.30110.9D6 Y7 E51 L52 D53D6-K55 HydrophobicContact CB-CB 4.26Å; D6-K55 HydrophobicContact CB-CD 3.91Å; D6-K55 VanDerWaalsContact CG-CD 3.41Å; D6-K55 VanDerWaalsContact OD1-CD 3.27Å; D6-K55 WeakPolarHBondContact OD1-CD 3.36Å; D6-K55 IonicContact OD1-NZ 2.97Å; D6-K55 PolarHBondContact OD1-NZ 3.36Å; Y7-K55 HydrophobicContact CD2-CB 4.19Å; Y7-K55 HydrophobicContact CE2-CB 4.01Å; Y7-K55 HydrophobicContact CE2-CD 4.22Å; Y7-K55 HydrophobicContact CE2-CG 3.97Å; E51-K55 WeakPolarHBondContact CA-O 3.27Å; L52-K55 PolarHBondContact N-O 3.45Å; L52-K55 WeakPolarHBondContact O-CB 3.35Å; L52-K55 PolarHBondContact O-N 2.89Å; D53-K55 PolarHBondContact O-N 3.48Å
56K96Very high91.4Very high109 Ų10945 Ų4547%0.47423%0.231SC..EExtended strand (participates in β ladder)trans-85.1115.5175.2-70.6-177.1-179.7179.90109.4D6 Y7 T49D6-K56 PolarHBondContact N-O 2.94Å; D6-K56 PolarHBondContact OD2-N 2.97Å; Y7-K56 PolarHBondContact N-O 3.29Å; T49-K56 HydrophobicContact CG2-CB 4.35Å
57I97.1Very high90Very high0 Ų045.1 Ų45.10%023%0.232CC..EExtended strand (participates in β ladder)trans-111.9118.5-178.1-51.9-175.9000108.4Y7 F9 T49 I50 L52 L59 K170Y7-I57 HydrophobicContact CD2-CG1 4.22Å; Y7-I57 WeakPolarHBondContact O-CA 3.23Å; F9-I57 HydrophobicContact CD1-CG2 4.33Å; F9-I57 HydrophobicContact CD2-CG2 3.41Å; F9-I57 VanDerWaalsContact CD2-CG2 3.41Å; F9-I57 HydrophobicContact CE1-CG2 4.4Å; F9-I57 HydrophobicContact CE2-CD1 3.73Å; F9-I57 HydrophobicContact CE2-CG2 3.52Å; F9-I57 HydrophobicContact CG-CG2 3.83Å; F9-I57 HydrophobicContact CZ-CD1 4.07Å; F9-I57 HydrophobicContact CZ-CG2 4.02Å; T49-I57 CarbonylContact C-O 3.58Å; T49-I57 WeakPolarHBondContact CA-O 3.12Å; I50-I57 HydrophobicContact CD1-CB 4.45Å; I50-I57 HydrophobicContact CG1-CB 3.91Å; I50-I57 PolarHBondContact N-O 3.41Å; I50-I57 PolarHBondContact O-N 3.04Å; L52-I57 HydrophobicContact CB-CD1 3.76Å; L52-I57 HydrophobicContact CB-CG1 4.46Å; L52-I57 HydrophobicContact CD1-CD1 4.5Å; L52-I57 HydrophobicContact CD2-CD1 4.27Å; L52-I57 HydrophobicContact CG-CD1 4.41Å; I57-L59 HydrophobicContact CG2-CD2 3.78Å; I57-K170 HydrophobicContact CD1-CD 4.23Å
58K96.6Very high88.1Confident48 Ų4847.1 Ų47.121%0.20924%0.24CC..EExtended strand (participates in β ladder)trans-85113171.6-176.9172.6-78.2179.40108.9Y5 Y7 L8 F9 I47Y5-K58 HydrophobicContact CD1-CB 4.34Å; Y5-K58 HydrophobicContact CD1-CD 4.19Å; Y5-K58 HydrophobicContact CD2-CB 4.26Å; Y5-K58 HydrophobicContact CE1-CD 4.19Å; Y5-K58 HydrophobicContact CG-CB 4Å; Y7-K58 PolarHBondContact O-N 3.48Å; L8-K58 CarbonylContact C-O 3.58Å; L8-K58 WeakPolarHBondContact CA-O 3.35Å; L8-K58 HydrophobicContact CD1-CB 3.87Å; L8-K58 HydrophobicContact CD1-CD 3.89Å; L8-K58 HydrophobicContact CD1-CG 3.75Å; F9-K58 PolarHBondContact N-O 2.98Å; I47-K58 HydrophobicContact CG2-CD 3.85Å; I47-K58 HydrophobicContact CG2-CG 3.57Å
59L97.1Very high86.4Confident0 Ų052.8 Ų52.80%026%0.261CS..EExtended strand (participates in β ladder)trans-89.4130173.4-55.5-177.8000109.6F9 L11 F28 I47 R48 I50 I57 I61 A166F9-L59 HydrophobicContact CB-CD2 3.85Å; F9-L59 HydrophobicContact CD2-CD2 3.9Å; F9-L59 HydrophobicContact CG-CD2 4.3Å; L11-L59 HydrophobicContact CD1-CD1 4.25Å; L11-L59 HydrophobicContact CD1-CD2 4.23Å; F28-L59 HydrophobicContact CE1-CD1 3.96Å; F28-L59 HydrophobicContact CZ-CD1 3.81Å; I47-L59 VanDerWaalsContact CA-O 3.27Å; I47-L59 WeakPolarHBondContact CA-O 3.36Å; R48-L59 PolarHBondContact N-O 3.21Å; R48-L59 VanDerWaalsContact N-O 3.07Å; R48-L59 WeakPolarHBondContact O-CA 3.24Å; R48-L59 WeakPolarHBondContact O-CB 3.27Å; R48-L59 PolarHBondContact O-N 3.12Å; I50-L59 HydrophobicContact CD1-CD1 3.85Å; I50-L59 HydrophobicContact CD1-CD2 4.32Å; I50-L59 HydrophobicContact CD1-CG 4.2Å; I50-L59 HydrophobicContact CG1-CD1 4.15Å; I50-L59 HydrophobicContact CG1-CG 4.17Å; I50-L59 HydrophobicContact CG2-CD1 4.11Å; I57-L59 HydrophobicContact CG2-CD2 3.78Å; L59-I61 HydrophobicContact CB-CD1 4.28Å; L59-I61 HydrophobicContact CB-CG1 4.1Å; L59-A166 HydrophobicContact CD2-CB 4.27Å
60Q95.9Very high84.6Confident51 Ų5152.3 Ų52.324%0.23825%0.253CS..EExtended strand (participates in β ladder)trans-111.1101.5173-82.1-168.6-23.800107.8L8 F9 K10 L11 F45 I47L8-Q60 HydrophobicContact CD1-CG 3.74Å; F9-Q60 PolarHBondContact O-N 3.33Å; K10-Q60 CarbonylContact C-O 3.54Å; K10-Q60 WeakPolarHBondContact CA-O 3.48Å; L11-Q60 PolarHBondContact N-O 3.08Å; F45-Q60 HydrophobicContact CE2-CB 3.7Å; F45-Q60 HydrophobicContact CE2-CG 3.88Å; F45-Q60 HydrophobicContact CZ-CB 4.07Å; F45-Q60 HydrophobicContact CZ-CG 3.71Å; I47-Q60 HydrophobicContact CG1-CG 4.3Å
61I95.3Very high82.8Confident1 Ų156.2 Ų56.21%0.00527%0.267CS..EExtended strand (participates in β ladder)trans-107.8120.1-169.7-48.5168000108.9L11 L13 L25 F28 F45 K46 L59 F162L11-I61 HydrophobicContact CB-CG1 4.26Å; L11-I61 HydrophobicContact CB-CG2 4.36Å; L11-I61 HydrophobicContact CD1-CG1 4.28Å; L11-I61 WeakPolarHBondContact O-CA 3.19Å; L13-I61 HydrophobicContact CD1-CG2 4.24Å; L13-I61 HydrophobicContact CG-CG2 4.08Å; L25-I61 HydrophobicContact CD1-CB 3.81Å; L25-I61 HydrophobicContact CD1-CD1 3.74Å; L25-I61 HydrophobicContact CD1-CG1 4.38Å; L25-I61 HydrophobicContact CD1-CG2 3.65Å; L25-I61 HydrophobicContact CD2-CG2 4.38Å; F28-I61 HydrophobicContact CD1-CD1 3.65Å; F28-I61 HydrophobicContact CE1-CD1 3.55Å; F45-I61 WeakPolarHBondContact CA-O 3.3Å; K46-I61 PolarHBondContact N-O 3.08Å; K46-I61 PolarHBondContact O-N 3.24Å; L59-I61 HydrophobicContact CB-CD1 4.28Å; L59-I61 HydrophobicContact CB-CG1 4.1Å; I61-F162 HydrophobicContact CD1-CD1 4.04Å; I61-F162 HydrophobicContact CD1-CE1 3.78Å; I61-F162 HydrophobicContact CG1-CE1 4.47Å; I61-F162 HydrophobicContact CG2-CE1 4.16Å
62W93.1Very high81.1Confident57 Ų5755.7 Ų55.722%0.21627%0.273CS..EExtended strand (participates in β ladder)trans-98.4117.6177.7-62.885.8000108.9L11 L12 L13 I43 F45 Y77L11-W62 PolarHBondContact O-N 3.01Å; L12-W62 HydrophobicContact CD1-CB 3.57Å; L13-W62 PolarHBondContact N-O 3.18Å; I43-W62 HydrophobicContact CG2-CE3 3.73Å; I43-W62 HydrophobicContact CG2-CZ3 4.4Å; F45-W62 HydrophobicContact CB-CE3 4.11Å; F45-W62 HydrophobicContact CB-CZ3 4.11Å; F45-W62 AromaticContact CD2-CD2 3.67Å; F45-W62 HydrophobicContact CD2-CD2 3.67Å; F45-W62 AromaticContact CD2-CE2 3.53Å; F45-W62 AromaticContact CD2-CE3 3.93Å; F45-W62 HydrophobicContact CD2-CE3 3.93Å; F45-W62 HydrophobicContact CD2-CG 4.21Å; F45-W62 HydrophobicContact CD2-CH2 4.04Å; F45-W62 AromaticContact CD2-CZ2 3.76Å; F45-W62 HydrophobicContact CD2-CZ2 3.76Å; F45-W62 HydrophobicContact CD2-CZ3 4.08Å; F45-W62 AromaticContact CD2-NE1 3.89Å; F45-W62 HydrophobicContact CE2-CD2 4.34Å; F45-W62 AromaticContact CE2-CE2 3.75Å; F45-W62 HydrophobicContact CE2-CH2 4.47Å; F45-W62 AromaticContact CE2-CZ2 3.86Å; F45-W62 HydrophobicContact CE2-CZ2 3.86Å; F45-W62 AromaticContact CE2-NE1 3.81Å; F45-W62 HydrophobicContact CG-CE3 4.42Å; F45-W62 HydrophobicContact CG-CH2 4.46Å; F45-W62 HydrophobicContact CG-CZ3 4.34Å; W62-Y77 AromaticContact CD2-CD1 3.85Å; W62-Y77 HydrophobicContact CD2-CD1 3.85Å; W62-Y77 HydrophobicContact CD2-CE1 4.14Å; W62-Y77 AromaticContact CE3-CD1 3.59Å; W62-Y77 HydrophobicContact CE3-CD1 3.59Å; W62-Y77 AromaticContact CE3-CE1 3.43Å; W62-Y77 HydrophobicContact CE3-CE1 3.43Å; W62-Y77 VanDerWaalsContact CE3-CE1 3.43Å; W62-Y77 HydrophobicContact CG-CD1 4.37Å; W62-Y77 HydrophobicContact CH2-CE1 4.08Å; W62-Y77 AromaticContact CZ3-CD1 4Å; W62-Y77 HydrophobicContact CZ3-CD1 4Å; W62-Y77 AromaticContact CZ3-CE1 3.42Å; W62-Y77 HydrophobicContact CZ3-CE1 3.42Å; W62-Y77 VanDerWaalsContact CZ3-CE1 3.42Å
63D90.3Very high79.6Confident0 Ų059.1 Ų59.10%029%0.29CS..EExtended strand (participates in β ladder)trans-96.6128.7173-178.839.9000110K21 T22 L25 I43 D44K21-D63 VanDerWaalsContact CB-OD1 3.24Å; K21-D63 WeakPolarHBondContact CB-OD1 3.26Å; T22-D63 WeakPolarHBondContact CA-OD2 3.43Å; T22-D63 VanDerWaalsContact CB-OD2 3.23Å; T22-D63 WeakPolarHBondContact CB-OD2 3.38Å; T22-D63 WeakPolarHBondContact CG2-OD2 3.39Å; T22-D63 PolarHBondContact OG1-OD2 2.84Å; L25-D63 HydrophobicContact CD2-CB 3.64Å; I43-D63 CarbonylContact C-O 3.6Å; I43-D63 VanDerWaalsContact CA-O 3.25Å; I43-D63 WeakPolarHBondContact CA-O 3.44Å; I43-D63 WeakPolarHBondContact CG2-O 3.02Å; D44-D63 HydrophobicContact CB-CB 4.44Å; D44-D63 PolarHBondContact N-O 3.47Å; D44-D63 PolarHBondContact O-N 3.27Å
64T83.9Confident78.4Confident1 Ų154.2 Ų54.21%0.00626%0.264CS..EExtended strand (participates in β ladder)trans-104.9142.1-17561.40000111.9L12 L13 K21 I43 G66 T74L12-T64 HydrophobicContact CD1-CG2 3.56Å; L12-T64 HydrophobicContact CG-CG2 4.38Å; L13-T64 WeakPolarHBondContact O-CG2 3.41Å; L13-T64 PolarHBondContact O-OG1 2.93Å; K21-T64 WeakPolarHBondContact CE-O 3.44Å; I43-T64 HydrophobicContact CD1-CG2 4.41Å; I43-T64 HydrophobicContact CG1-CG2 4.34Å; T64-G66 PolarHBondContact O-N 2.93Å; T64-T74 HydrophobicContact CG2-CG2 4.28Å
65A73.9Confident77.5Confident5 Ų554 Ų544%0.04125%0.251CS..  trans-60123.6164.300000109.4T40 G42 Q67 F70T40-A65 WeakPolarHBondContact O-CB 3.44Å; G42-A65 WeakPolarHBondContact O-CB 3.23Å; G42-A65 PolarHBondContact O-N 3.4Å; A65-Q67 PolarHBondContact O-N 3.27Å; A65-F70 HydrophobicContact CB-CB 4.44Å; A65-F70 HydrophobicContact CB-CD2 3.71Å; A65-F70 HydrophobicContact CB-CE2 4.38Å; A65-F70 HydrophobicContact CB-CG 4.37Å
66G62.5Low76.6Confident9 Ų953.5 Ų53.59%0.09326%0.262CS..  trans-79.37.1178.700000114.5G15 S17 K21 T64G15-G66 WeakPolarHBondContact O-CA 3.5Å; S17-G66 PolarHBondContact N-O 2.94Å; K21-G66 VanDerWaalsContact NZ-CA 3.3Å; T64-G66 PolarHBondContact O-N 2.93Å
67Q61.2Low76Confident55 Ų5551.2 Ų51.226%0.25725%0.251SS..  trans-76.7133.9176.7-84.3-155.4-8.400110.8A65 R69 F70A65-Q67 PolarHBondContact O-N 3.27Å; Q67-R69 PolarHBondContact O-N 3.26Å; Q67-R69 VanDerWaalsContact O-N 3.08Å; Q67-F70 HydrophobicContact CB-CD2 3.93Å; Q67-F70 HydrophobicContact CB-CE2 4.37Å; Q67-F70 PolarHBondContact O-N 2.69Å
68E55.1Low75.5Confident126 Ų12651.4 Ų51.459%0.58925%0.251SS*.G310 helixtrans-53.1-31.2176.958.8-74159.600113.2F70 R71E68-F70 PolarHBondContact O-N 2.8Å; E68-F70 VanDerWaalsContact O-N 3.16Å; E68-R71 WeakPolarHBondContact O-CB 3.5Å; E68-R71 PolarHBondContact O-N 2.79Å; E68-R71 VanDerWaalsContact O-N 3.16Å
69R58.3Low75Confident185 Ų18559 Ų5970%0.69828%0.279SS*.G310 helixtrans-61.5-20.1176.3-63-171.2-66.3178.10.5114.1Q67Q67-R69 PolarHBondContact O-N 3.26Å; Q67-R69 VanDerWaalsContact O-N 3.08Å
70F58.6Low74.6Confident61 Ų6161.5 Ų61.527%0.26831%0.305SS..G310 helixtrans-106.89.3179.9-59-61.3000113.7A65 Q67 E68 T72 I73 T74A65-F70 HydrophobicContact CB-CB 4.44Å; A65-F70 HydrophobicContact CB-CD2 3.71Å; A65-F70 HydrophobicContact CB-CE2 4.38Å; A65-F70 HydrophobicContact CB-CG 4.37Å; Q67-F70 HydrophobicContact CB-CD2 3.93Å; Q67-F70 HydrophobicContact CB-CE2 4.37Å; Q67-F70 PolarHBondContact O-N 2.69Å; E68-F70 PolarHBondContact O-N 2.8Å; E68-F70 VanDerWaalsContact O-N 3.16Å; F70-T72 PolarHBondContact O-N 3.47Å; F70-I73 HydrophobicContact CB-CD1 4.42Å; F70-I73 HydrophobicContact CD1-CD1 3.59Å; F70-I73 HydrophobicContact CD1-CG1 4.48Å; F70-I73 HydrophobicContact CE1-CD1 4.34Å; F70-I73 HydrophobicContact CG-CD1 4.42Å; F70-I73 WeakPolarHBondContact O-CB 3.3Å; F70-I73 PolarHBondContact O-N 2.65Å; F70-T74 PolarHBondContact O-N 2.89Å; F70-T74 PolarHBondContact O-OG1 2.94Å
71R58.2Low74.5Confident92 Ų9259.3 Ų59.335%0.34730%0.295SS..Hα-helixtrans-54.8-39176.9-83-179.9169.4-168.1-0.5112.7E68 I73 T74 W102E68-R71 WeakPolarHBondContact O-CB 3.5Å; E68-R71 PolarHBondContact O-N 2.79Å; E68-R71 VanDerWaalsContact O-N 3.16Å; R71-I73 VanDerWaalsContact C-N 3.27Å; R71-I73 PolarHBondContact O-N 2.84Å; R71-T74 WeakPolarHBondContact O-CB 3.29Å; R71-T74 PolarHBondContact O-N 2.64Å; R71-T74 VanDerWaalsContact O-N 3.14Å; R71-W102 HydrophobicContact CG-CH2 4.34Å
72T57.9Low74.6Confident119 Ų11961.5 Ų61.573%0.7331%0.306SS*.Hα-helixtrans-63.5-30.4177-46.10000113F70 T74 T75F70-T72 PolarHBondContact O-N 3.47Å; T72-T74 VanDerWaalsContact C-N 3.32Å; T72-T75 PolarHBondContact O-OG1 2.95Å
73I62.6Low74.8Confident75 Ų7558.8 Ų58.839%0.38530%0.295SS..Hα-helixtrans-72.5-31.3178-57.7-174.9000110.5I43 F70 R71 T75 Y77I43-I73 HydrophobicContact CD1-CG2 3.69Å; F70-I73 HydrophobicContact CB-CD1 4.42Å; F70-I73 HydrophobicContact CD1-CD1 3.59Å; F70-I73 HydrophobicContact CD1-CG1 4.48Å; F70-I73 HydrophobicContact CE1-CD1 4.34Å; F70-I73 HydrophobicContact CG-CD1 4.42Å; F70-I73 WeakPolarHBondContact O-CB 3.3Å; F70-I73 PolarHBondContact O-N 2.65Å; R71-I73 VanDerWaalsContact C-N 3.27Å; R71-I73 PolarHBondContact O-N 2.84Å; I73-T75 VanDerWaalsContact C-N 3.27Å; I73-T75 PolarHBondContact O-N 2.94Å; I73-Y77 HydrophobicContact CG2-CE2 3.92Å; I73-Y77 WeakPolarHBondContact O-CD2 3.38Å; I73-Y77 WeakPolarHBondContact O-CE2 3.44Å
74T66.7Low75.1Confident5 Ų558.8 Ų58.83%0.03130%0.295CS..Hα-helixtrans-66.3-29-174.3-51.80000112.3I14 T64 F70 R71 T72 A76 Y77 Y78I14-T74 HydrophobicContact CG2-CG2 4.28Å; T64-T74 HydrophobicContact CG2-CG2 4.28Å; F70-T74 PolarHBondContact O-N 2.89Å; F70-T74 PolarHBondContact O-OG1 2.94Å; R71-T74 WeakPolarHBondContact O-CB 3.29Å; R71-T74 PolarHBondContact O-N 2.64Å; R71-T74 VanDerWaalsContact O-N 3.14Å; T72-T74 VanDerWaalsContact C-N 3.32Å; T74-A76 VanDerWaalsContact C-N 3.31Å; T74-A76 PolarHBondContact O-N 2.92Å; T74-Y77 PolarHBondContact O-N 3.28Å; T74-Y78 HydrophobicContact CG2-CE1 4.44Å; T74-Y78 HydrophobicContact CG2-CE2 3.89Å; T74-Y78 PolarHBondContact O-N 3.44Å
75T72.1Confident75.7Confident55 Ų5558.8 Ų58.834%0.33730%0.295SS..Hα-helixtrans-61-38.1-175.459.50000113.1T72 I73 Y77 Y78T72-T75 PolarHBondContact O-OG1 2.95Å; I73-T75 VanDerWaalsContact C-N 3.27Å; I73-T75 PolarHBondContact O-N 2.94Å; T75-Y77 PolarHBondContact O-N 3.27Å; T75-Y78 PolarHBondContact O-N 2.71Å
76A77.1Confident76.8Confident70 Ų7058.6 Ų58.658%0.57929%0.293SS*.Hα-helixtrans-62.5-26.6176.600000113.1T74T74-A76 VanDerWaalsContact C-N 3.31Å; T74-A76 PolarHBondContact O-N 2.92Å
77Y82.7Confident78.5Confident61 Ų6158.1 Ų58.124%0.23929%0.289CS..Hα-helixtrans-88.6-20.8-174.9-66.2-92.8000113.4K10 I43 W62 I73 T74 T75 R79K10-Y77 WeakPolarHBondContact CE-O 3.46Å; K10-Y77 PolarHBondContact NZ-O 3.45Å; K10-Y77 VanDerWaalsContact NZ-O 3.11Å; I43-Y77 HydrophobicContact CD1-CD1 4.25Å; I43-Y77 HydrophobicContact CD1-CD2 3.3Å; I43-Y77 HydrophobicContact CD1-CE1 4.04Å; I43-Y77 HydrophobicContact CD1-CE2 3.06Å; I43-Y77 HydrophobicContact CD1-CG 3.9Å; I43-Y77 VanDerWaalsContact CD1-CZ 3.43Å; I43-Y77 HydrophobicContact CG1-CE2 4.44Å; I43-Y77 HydrophobicContact CG2-CD1 4.37Å; I43-Y77 HydrophobicContact CG2-CE1 4.02Å; W62-Y77 AromaticContact CD2-CD1 3.85Å; W62-Y77 HydrophobicContact CD2-CD1 3.85Å; W62-Y77 HydrophobicContact CD2-CE1 4.14Å; W62-Y77 AromaticContact CE3-CD1 3.59Å; W62-Y77 HydrophobicContact CE3-CD1 3.59Å; W62-Y77 AromaticContact CE3-CE1 3.43Å; W62-Y77 HydrophobicContact CE3-CE1 3.43Å; W62-Y77 VanDerWaalsContact CE3-CE1 3.43Å; W62-Y77 HydrophobicContact CG-CD1 4.37Å; W62-Y77 HydrophobicContact CH2-CE1 4.08Å; W62-Y77 AromaticContact CZ3-CD1 4Å; W62-Y77 HydrophobicContact CZ3-CD1 4Å; W62-Y77 AromaticContact CZ3-CE1 3.42Å; W62-Y77 HydrophobicContact CZ3-CE1 3.42Å; W62-Y77 VanDerWaalsContact CZ3-CE1 3.42Å; I73-Y77 HydrophobicContact CG2-CE2 3.92Å; I73-Y77 WeakPolarHBondContact O-CD2 3.38Å; I73-Y77 WeakPolarHBondContact O-CE2 3.44Å; T74-Y77 PolarHBondContact O-N 3.28Å; T75-Y77 PolarHBondContact O-N 3.27Å; Y77-R79 PolarHBondContact O-N 3.08Å
78Y86.3Confident80.2Confident3 Ų355.5 Ų55.51%0.01228%0.277CS..Hα-helixtrans-60.8-31.6169.9-68.4-55.1000112L12 I14 T74 T75 G80 A81 I84 N105 I106 H109 A110L12-Y78 HydrophobicContact CD2-CD1 3.5Å; L12-Y78 HydrophobicContact CD2-CE1 3.61Å; L12-Y78 HydrophobicContact CD2-CG 4.34Å; I14-Y78 HydrophobicContact CD1-CE1 4.21Å; I14-Y78 HydrophobicContact CG2-CE1 4.14Å; T74-Y78 HydrophobicContact CG2-CE1 4.44Å; T74-Y78 HydrophobicContact CG2-CE2 3.89Å; T74-Y78 PolarHBondContact O-N 3.44Å; T75-Y78 PolarHBondContact O-N 2.71Å; Y78-G80 PolarHBondContact O-N 2.55Å; Y78-A81 WeakPolarHBondContact O-CB 3.45Å; Y78-A81 PolarHBondContact O-N 2.93Å; Y78-A81 VanDerWaalsContact O-N 3.07Å; Y78-I84 HydrophobicContact CD1-CD1 3.73Å; Y78-I84 HydrophobicContact CE1-CD1 4.11Å; Y78-N105 HydrophobicContact CE2-CB 4.48Å; Y78-I106 HydrophobicContact CE1-CG1 3.96Å; Y78-H109 HydrophobicContact CD2-CB 3.59Å; Y78-H109 HydrophobicContact CE2-CB 4.35Å; Y78-H109 HydrophobicContact CG-CB 4.18Å; Y78-A110 HydrophobicContact CD1-CB 4.41Å; Y78-A110 HydrophobicContact CG-CB 4.49Å
79R85.6Confident82.3Confident209 Ų20949.9 Ų49.979%0.78925%0.251SS*.THydrogen-bonded Turntrans-61.9120.9178.5-170.1178.3179.3116.4-0.6110.8K10 Y77 A81K10-R79 PolarHBondContact NZ-O 2.7Å; Y77-R79 PolarHBondContact O-N 3.08Å; R79-A81 PolarHBondContact O-N 3.31Å
80G88.8Confident84.2Confident52 Ų5241.1 Ų41.154%0.53622%0.218SC..THydrogen-bonded Turntrans72.77.3-179.900000114.6Y78 M82Y78-G80 PolarHBondContact O-N 2.55Å; G80-M82 PolarHBondContact O-N 3.44Å
81A94.6Very high86.1Confident4 Ų439.6 Ų39.63%0.03321%0.213CC..  trans-63.7130.8166.700000108.8L12 Y78 R79 I84 V114L12-A81 HydrophobicContact CB-CB 4.49Å; Y78-A81 WeakPolarHBondContact O-CB 3.45Å; Y78-A81 PolarHBondContact O-N 2.93Å; Y78-A81 VanDerWaalsContact O-N 3.07Å; R79-A81 PolarHBondContact O-N 3.31Å; A81-I84 HydrophobicContact CB-CD1 4.36Å; A81-I84 HydrophobicContact CB-CG1 4.09Å; A81-V114 HydrophobicContact CB-CG2 4.44Å; A81-V114 WeakPolarHBondContact O-CG2 3.38Å
82M96.7Very high87.9Confident48 Ų4838.2 Ų38.224%0.23621%0.213CC..SBendtrans-97-29.5178.4-61.5179.470.600111.2F9 K10 G80 E115 I169 M173F9-M82 HydrophobicContact CB-SD 4.32Å; F9-M82 HydrophobicContact CD1-CE 3.67Å; F9-M82 HydrophobicContact CD1-SD 3.9Å; F9-M82 HydrophobicContact CE1-CE 4.06Å; F9-M82 HydrophobicContact CG-SD 4.48Å; K10-M82 PolarHBondContact O-N 2.97Å; G80-M82 PolarHBondContact O-N 3.44Å; M82-E115 PolarHBondContact O-N 2.85Å; M82-I169 HydrophobicContact CB-CD1 4.19Å; M82-I169 HydrophobicContact CB-CG2 3.99Å; M82-I169 HydrophobicContact CE-CG2 3.53Å; M82-M173 HydrophobicContact CE-CE 4.12Å; M82-M173 HydrophobicContact CE-CG 4.01Å; M82-M173 HydrophobicContact CE-SD 3.22Å; M82-M173 WeakPolarHBondContact CE-SD 3.41Å
83G97.3Very high89.8Confident0 Ų034.5 Ų34.50%019%0.187CC..EExtended strand (participates in β ladder)trans-138.5145.8171.500000111.8K10 L11 L12 E115K10-G83 PolarHBondContact O-N 2.91Å; L11-G83 CarbonylContact C-O 3.55Å; L11-G83 VanDerWaalsContact CA-O 3.29Å; L11-G83 WeakPolarHBondContact CA-O 3.43Å; L12-G83 PolarHBondContact N-O 2.85Å; G83-E115 CarbonylContact C-O 3.33Å; G83-E115 VanDerWaalsContact CA-O 3.24Å; G83-E115 WeakPolarHBondContact CA-O 3.42Å
84I96.8Very high91.4Very high0 Ų037.6 Ų37.60%020%0.198CC..EExtended strand (participates in β ladder)trans-129.4128.2176.6-59.2170.5000108.9L12 I14 Y78 A81 I106 A110 V114 E115 K116 M117L12-I84 HydrophobicContact CB-CG1 4.23Å; L12-I84 CarbonylContact O-C 3.48Å; L12-I84 WeakPolarHBondContact O-CA 3.39Å; I14-I84 HydrophobicContact CD1-CG2 3.83Å; I14-I84 HydrophobicContact CG1-CG2 3.89Å; I14-I84 HydrophobicContact CG2-CG2 4.42Å; Y78-I84 HydrophobicContact CD1-CD1 3.73Å; Y78-I84 HydrophobicContact CE1-CD1 4.11Å; A81-I84 HydrophobicContact CB-CD1 4.36Å; A81-I84 HydrophobicContact CB-CG1 4.09Å; I84-I106 HydrophobicContact CB-CD1 4.24Å; I84-I106 HydrophobicContact CD1-CB 4.44Å; I84-I106 HydrophobicContact CD1-CD1 4.21Å; I84-I106 HydrophobicContact CD1-CG1 3.96Å; I84-I106 HydrophobicContact CD1-CG2 3.71Å; I84-I106 HydrophobicContact CG2-CD1 3.68Å; I84-I106 HydrophobicContact CG2-CG1 4.26Å; I84-A110 HydrophobicContact CD1-CB 3.96Å; I84-V114 HydrophobicContact CD1-CG1 4.18Å; I84-V114 HydrophobicContact CD1-CG2 3.72Å; I84-V114 HydrophobicContact CG1-CG2 3.7Å; I84-E115 PolarHBondContact N-O 2.97Å; I84-K116 WeakPolarHBondContact O-CA 3.45Å; I84-M117 PolarHBondContact O-N 2.89Å
85M97.6Very high92.9Very high1 Ų137.4 Ų37.41%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-107.1120.7173.3-51176.29700109.4L12 L13 I14 M117 L119 A161 F162 L165L12-M85 PolarHBondContact O-N 2.79Å; L13-M85 HydrophobicContact CD2-CB 3.64Å; L13-M85 HydrophobicContact CD2-CG 4.02Å; L13-M85 HydrophobicContact CD2-SD 3.7Å; I14-M85 PolarHBondContact N-O 2.93Å; M85-M117 CarbonylContact C-O 3.58Å; M85-M117 VanDerWaalsContact CA-O 3.3Å; M85-M117 WeakPolarHBondContact CA-O 3.25Å; M85-M117 HydrophobicContact CE-SD 4.07Å; M85-L119 HydrophobicContact CB-CD1 4.34Å; M85-L119 HydrophobicContact CE-CD1 3.77Å; M85-L119 HydrophobicContact CE-CD2 4.11Å; M85-L119 HydrophobicContact CE-CG 4.29Å; M85-L119 HydrophobicContact SD-CD1 4.4Å; M85-A161 HydrophobicContact CE-CB 3.58Å; M85-F162 HydrophobicContact CE-CD1 4.38Å; M85-F162 HydrophobicContact CE-CG 4.39Å; M85-F162 HydrophobicContact SD-CD1 3.72Å; M85-F162 HydrophobicContact SD-CE1 3.52Å; M85-F162 VanDerWaalsContact SD-CE1 3.52Å; M85-F162 HydrophobicContact SD-CE2 4.5Å; M85-F162 HydrophobicContact SD-CG 4.29Å; M85-F162 HydrophobicContact SD-CZ 3.95Å; M85-L165 HydrophobicContact CE-CD2 4.48Å; M85-L165 HydrophobicContact CG-CD2 3.42Å; M85-L165 VanDerWaalsContact CG-CD2 3.42Å; M85-L165 HydrophobicContact SD-CD2 4.1Å
86L96.6Very high94.1Very high0 Ų035.5 Ų35.50%018%0.184CC..EExtended strand (participates in β ladder)trans-95.4119.3177-56.191.7000108.8I14 I99 W102 I103 I106 M117 V118 L119I14-L86 HydrophobicContact CD1-CD2 4.08Å; I14-L86 HydrophobicContact CD1-CG 3.96Å; I14-L86 HydrophobicContact CG1-CB 4.35Å; I14-L86 HydrophobicContact CG1-CD2 4.46Å; I14-L86 HydrophobicContact CG1-CG 3.92Å; I14-L86 CarbonylContact O-C 3.56Å; I14-L86 WeakPolarHBondContact O-CA 3.49Å; L86-I99 HydrophobicContact CB-CD1 3.91Å; L86-I99 HydrophobicContact CD2-CG2 4.21Å; L86-W102 HydrophobicContact CD2-CB 3.72Å; L86-I103 HydrophobicContact CD2-CG1 3.6Å; L86-I106 HydrophobicContact CD1-CD1 3.81Å; L86-I106 HydrophobicContact CD2-CD1 3.79Å; L86-I106 HydrophobicContact CG-CD1 3.93Å; L86-M117 WeakPolarHBondContact CD1-O 3.45Å; L86-M117 PolarHBondContact N-O 3.46Å; L86-V118 HydrophobicContact CB-CG2 4.44Å; L86-V118 HydrophobicContact CD1-CG2 4.43Å; L86-V118 CarbonylContact O-C 3.6Å; L86-V118 WeakPolarHBondContact O-CA 3.5Å; L86-L119 PolarHBondContact O-N 3.06Å
87V97.6Very high95Very high0 Ų037.7 Ų37.70%018%0.182CC..EExtended strand (participates in β ladder)trans-110.2128-174.9-1680000110I14 G15 V19 K21 L119 N121I14-V87 PolarHBondContact O-N 3.22Å; G15-V87 WeakPolarHBondContact CA-O 3.46Å; V19-V87 HydrophobicContact CB-CG1 4.38Å; V19-V87 HydrophobicContact CG2-CB 3.95Å; V19-V87 HydrophobicContact CG2-CG1 3.91Å; V19-V87 WeakPolarHBondContact CG2-O 3.43Å; K21-V87 HydrophobicContact CG-CB 3.93Å; K21-V87 HydrophobicContact CG-CG2 3.96Å; V87-L119 WeakPolarHBondContact CA-O 3.49Å; V87-L119 HydrophobicContact CG1-CB 4.38Å; V87-L119 HydrophobicContact CG2-CB 4.33Å; V87-L119 HydrophobicContact CG2-CD1 4.18Å; V87-N121 HydrophobicContact CG1-CB 3.79Å
88F98Very high95.6Very high0 Ų036.2 Ų36.20%018%0.178CC..EExtended strand (participates in β ladder)trans-120.2167.3164.572.8-90.6000110.4I90 F96 I99 V118 L119 N121 V131 F147F88-I90 HydrophobicContact CE2-CG2 3.92Å; F88-F96 HydrophobicContact CB-CB 4.5Å; F88-F96 HydrophobicContact CD1-CD2 4.07Å; F88-F96 HydrophobicContact CD2-CB 3.85Å; F88-F96 HydrophobicContact CD2-CD2 4.1Å; F88-F96 HydrophobicContact CD2-CG 4.45Å; F88-F96 AromaticContact CE1-CD2 3.82Å; F88-F96 HydrophobicContact CE1-CD2 3.82Å; F88-F96 HydrophobicContact CE1-CE2 4.32Å; F88-F96 HydrophobicContact CE2-CB 4.25Å; F88-F96 AromaticContact CE2-CD2 3.89Å; F88-F96 HydrophobicContact CE2-CD2 3.89Å; F88-F96 HydrophobicContact CE2-CG 4.44Å; F88-F96 HydrophobicContact CG-CB 4.18Å; F88-F96 HydrophobicContact CG-CD2 4.2Å; F88-F96 AromaticContact CZ-CD2 3.73Å; F88-F96 HydrophobicContact CZ-CD2 3.73Å; F88-F96 HydrophobicContact CZ-CE2 4.26Å; F88-I99 HydrophobicContact CB-CD1 4.01Å; F88-I99 HydrophobicContact CB-CG1 4Å; F88-I99 HydrophobicContact CD1-CD1 4.22Å; F88-I99 HydrophobicContact CD1-CG1 4.02Å; F88-I99 HydrophobicContact CG-CG1 4.35Å; F88-V118 HydrophobicContact CD1-CG1 3.77Å; F88-V118 HydrophobicContact CE1-CG1 3.66Å; F88-L119 WeakPolarHBondContact CD1-O 3.45Å; F88-L119 PolarHBondContact N-O 3.26Å; F88-N121 WeakPolarHBondContact O-CB 3.27Å; F88-N121 PolarHBondContact O-N 3.36Å; F88-V131 HydrophobicContact CE2-CB 4.01Å; F88-V131 HydrophobicContact CE2-CG1 3.79Å; F88-V131 HydrophobicContact CE2-CG2 4.29Å; F88-V131 HydrophobicContact CZ-CG1 4.15Å; F88-F147 HydrophobicContact CE1-CD2 4.47Å; F88-F147 AromaticContact CE1-CE2 3.75Å; F88-F147 HydrophobicContact CE1-CE2 3.75Å; F88-F147 AromaticContact CZ-CE2 3.84Å; F88-F147 HydrophobicContact CZ-CE2 3.84Å; F88-F147 HydrophobicContact CZ-CZ 4.34Å
89D97.9Very high96Very high8 Ų836 Ų364%0.04318%0.178CC..EExtended strand (participates in β ladder)trans-103.4122.9175.8174.8-5.9000109.3V19 T91 N92 S95 K122V19-D89 HydrophobicContact CB-CB 4.26Å; V19-D89 HydrophobicContact CG1-CB 4.24Å; D89-T91 PolarHBondContact O-N 3.37Å; D89-T91 VanDerWaalsContact O-N 3.08Å; D89-T91 WeakPolarHBondContact OD1-CA 3.42Å; D89-T91 WeakPolarHBondContact OD1-CB 3.09Å; D89-T91 PolarHBondContact OD1-N 2.79Å; D89-T91 PolarHBondContact OD1-OG1 3.11Å; D89-T91 PolarHBondContact OD2-OG1 2.87Å; D89-N92 HydrophobicContact CB-CB 4.07Å; D89-N92 PolarHBondContact O-N 3.13Å; D89-S95 PolarHBondContact N-OG 3.1Å; D89-S95 PolarHBondContact O-OG 3.02Å; D89-K122 WeakPolarHBondContact OD2-CD 3.38Å; D89-K122 WeakPolarHBondContact OD2-CE 3.45Å; D89-K122 IonicContact OD2-NZ 2.8Å; D89-K122 PolarHBondContact OD2-NZ 3.25Å
90I98.5Very high96.4Very high0 Ų029.8 Ų29.80%016%0.156CC..THydrogen-bonded Turntrans-63.2-17.5-178.265.3147.2000113.4F88 N121 K122 C123 R129 Q130 V131F88-I90 HydrophobicContact CE2-CG2 3.92Å; I90-N121 WeakPolarHBondContact CG1-O 3.12Å; I90-N121 PolarHBondContact N-O 3.29Å; I90-K122 WeakPolarHBondContact CG1-O 3.45Å; I90-C123 HydrophobicContact CD1-CB 4.41Å; I90-R129 HydrophobicContact CD1-CB 4.26Å; I90-R129 HydrophobicContact CD1-CG 4.22Å; I90-R129 VanDerWaalsContact CD1-CZ 3.46Å; I90-Q130 PolarHBondContact O-N 3.28Å; I90-V131 PolarHBondContact O-N 3.41Å
91T98Very high96.6Very high29 Ų2930 Ų3018%0.17815%0.145CC..THydrogen-bonded Turntrans-93.21.817872.10000112.9D89 V125 K128 Q130D89-T91 PolarHBondContact O-N 3.37Å; D89-T91 VanDerWaalsContact O-N 3.08Å; D89-T91 WeakPolarHBondContact OD1-CA 3.42Å; D89-T91 WeakPolarHBondContact OD1-CB 3.09Å; D89-T91 PolarHBondContact OD1-N 2.79Å; D89-T91 PolarHBondContact OD1-OG1 3.11Å; D89-T91 PolarHBondContact OD2-OG1 2.87Å; T91-V125 HydrophobicContact CG2-CB 4.17Å; T91-V125 HydrophobicContact CG2-CG1 4.49Å; T91-K128 WeakPolarHBondContact CA-O 3.47Å; T91-K128 WeakPolarHBondContact CB-O 3.37Å; T91-K128 HydrophobicContact CG2-CB 3.91Å; T91-Q130 PolarHBondContact O-NE2 3.42Å; T91-Q130 PolarHBondContact O-OE1 2.91Å
92N97.4Very high96.5Very high64 Ų6430.1 Ų30.134%0.34215%0.145SC..  trans-13498.3-178.8-178.2-17.9000110.9D89 K94 S95D89-N92 HydrophobicContact CB-CB 4.07Å; D89-N92 PolarHBondContact O-N 3.13Å; N92-K94 VanDerWaalsContact C-N 3.3Å; N92-K94 PolarHBondContact O-N 2.7Å; N92-K94 WeakPolarHBondContact OD1-CB 3.48Å; N92-K94 PolarHBondContact OD1-N 3.42Å; N92-S95 WeakPolarHBondContact O-CB 3.32Å; N92-S95 PolarHBondContact O-N 2.8Å; N92-S95 VanDerWaalsContact O-N 3.11Å; N92-S95 PolarHBondContact O-OG 2.94Å; N92-S95 PolarHBondContact OD1-N 3.27Å
93E97.4Very high96.3Very high40 Ų4028 Ų2819%0.18713%0.134CC..Hα-helixtrans-52.7-43.8179.9-174.360.9-145.800113.3S95 F96 E97 Q130 V131 R135E93-S95 PolarHBondContact O-N 3.27Å; E93-F96 WeakPolarHBondContact O-CA 3.44Å; E93-F96 WeakPolarHBondContact O-CB 3.24Å; E93-F96 PolarHBondContact O-N 3.07Å; E93-E97 PolarHBondContact O-N 2.86Å; E93-Q130 HydrophobicContact CB-CB 4.33Å; E93-V131 WeakPolarHBondContact OE2-CG2 3.47Å; E93-R135 IonicContact OE1-CZ 3.47Å; E93-R135 IonicContact OE1-NH1 3.83Å; E93-R135 PolarHBondContact OE1-NH1 3.43Å; E93-R135 IonicContact OE1-NH2 2.71Å; E93-R135 PolarHBondContact OE1-NH2 3.05Å; E93-R135 IonicContact OE2-CZ 2.64Å; E93-R135 IonicContact OE2-NH1 2.79Å; E93-R135 PolarHBondContact OE2-NH1 3.47Å; E93-R135 IonicContact OE2-NH2 2.55Å
94K96.6Very high96Very high140 Ų14034.2 Ų34.261%0.60916%0.158SC*.Hα-helixtrans-60.8-36.2-178.5-174.1177-177.7177.90112.1N92 F96 E97 N98N92-K94 VanDerWaalsContact C-N 3.3Å; N92-K94 PolarHBondContact O-N 2.7Å; N92-K94 WeakPolarHBondContact OD1-CB 3.48Å; N92-K94 PolarHBondContact OD1-N 3.42Å; K94-F96 VanDerWaalsContact C-N 3.26Å; K94-F96 PolarHBondContact O-N 3.31Å; K94-E97 PolarHBondContact O-N 2.98Å; K94-N98 WeakPolarHBondContact O-CB 3.27Å; K94-N98 PolarHBondContact O-N 2.86Å; K94-N98 PolarHBondContact O-ND2 3.02Å
95S96.8Very high95.6Very high1 Ų136 Ų361%0.00717%0.167CC..Hα-helixtrans-65.7-31.3177.476.80000112.5D89 N92 E93D89-S95 PolarHBondContact N-OG 3.1Å; D89-S95 PolarHBondContact O-OG 3.02Å; N92-S95 WeakPolarHBondContact O-CB 3.32Å; N92-S95 PolarHBondContact O-N 2.8Å; N92-S95 VanDerWaalsContact O-N 3.11Å; N92-S95 PolarHBondContact O-OG 2.94Å; N92-S95 PolarHBondContact OD1-N 3.27Å; E93-S95 PolarHBondContact O-N 3.27Å
96F98.1Very high95.3Very high16 Ų1636 Ų367%0.0717%0.167CC..Hα-helixtrans-75-44.9174.9172.2-104.5000111.9F88 E93 K94 N98 I99 V131 R135 L139F88-F96 HydrophobicContact CB-CB 4.5Å; F88-F96 HydrophobicContact CD1-CD2 4.07Å; F88-F96 HydrophobicContact CD2-CB 3.85Å; F88-F96 HydrophobicContact CD2-CD2 4.1Å; F88-F96 HydrophobicContact CD2-CG 4.45Å; F88-F96 AromaticContact CE1-CD2 3.82Å; F88-F96 HydrophobicContact CE1-CD2 3.82Å; F88-F96 HydrophobicContact CE1-CE2 4.32Å; F88-F96 HydrophobicContact CE2-CB 4.25Å; F88-F96 AromaticContact CE2-CD2 3.89Å; F88-F96 HydrophobicContact CE2-CD2 3.89Å; F88-F96 HydrophobicContact CE2-CG 4.44Å; F88-F96 HydrophobicContact CG-CB 4.18Å; F88-F96 HydrophobicContact CG-CD2 4.2Å; F88-F96 AromaticContact CZ-CD2 3.73Å; F88-F96 HydrophobicContact CZ-CD2 3.73Å; F88-F96 HydrophobicContact CZ-CE2 4.26Å; E93-F96 WeakPolarHBondContact O-CA 3.44Å; E93-F96 WeakPolarHBondContact O-CB 3.24Å; E93-F96 PolarHBondContact O-N 3.07Å; K94-F96 VanDerWaalsContact C-N 3.26Å; K94-F96 PolarHBondContact O-N 3.31Å; F96-N98 PolarHBondContact O-N 2.88Å; F96-I99 VanDerWaalsContact O-CB 3.27Å; F96-I99 WeakPolarHBondContact O-CB 3.27Å; F96-I99 WeakPolarHBondContact O-CG1 3.48Å; F96-I99 PolarHBondContact O-N 3.46Å; F96-V131 HydrophobicContact CB-CG1 4.28Å; F96-V131 HydrophobicContact CB-CG2 3.62Å; F96-V131 HydrophobicContact CD1-CG1 4.03Å; F96-V131 HydrophobicContact CD1-CG2 4.27Å; F96-V131 HydrophobicContact CD2-CG1 3.77Å; F96-V131 HydrophobicContact CE1-CG1 4.31Å; F96-V131 HydrophobicContact CE2-CG1 4.04Å; F96-V131 HydrophobicContact CG-CG1 3.76Å; F96-V131 HydrophobicContact CG-CG2 3.95Å; F96-V131 HydrophobicContact CZ-CG1 4.31Å; F96-R135 HydrophobicContact CE1-CB 4.46Å; F96-R135 HydrophobicContact CZ-CB 4.16Å; F96-L139 HydrophobicContact CD2-CD2 4.2Å; F96-L139 HydrophobicContact CE2-CB 4.06Å; F96-L139 HydrophobicContact CE2-CD2 3.51Å; F96-L139 HydrophobicContact CE2-CG 4.36Å; F96-L139 HydrophobicContact CZ-CB 3.97Å; F96-L139 HydrophobicContact CZ-CD2 3.94Å; F96-L139 HydrophobicContact CZ-CG 4.4Å
97E96.4Very high95.1Very high116 Ų11641.5 Ų41.554%0.54219%0.193SC..Hα-helixtrans-56.2-38.6175-67.4179.316300111.8E93 K94 I99 K100E93-E97 PolarHBondContact O-N 2.86Å; K94-E97 PolarHBondContact O-N 2.98Å; E97-I99 PolarHBondContact O-N 2.83Å; E97-K100 PolarHBondContact O-N 2.51Å
98N95.1Very high94.7Very high29 Ų2947.8 Ų47.816%0.15522%0.222CC..THydrogen-bonded Turntrans-68.8-15178.6-80-29.2000114.4D16 K94 F96 K100 N101 W102D16-N98 PolarHBondContact OD2-ND2 3.04Å; K94-N98 WeakPolarHBondContact O-CB 3.27Å; K94-N98 PolarHBondContact O-N 2.86Å; K94-N98 PolarHBondContact O-ND2 3.02Å; F96-N98 PolarHBondContact O-N 2.88Å; N98-K100 PolarHBondContact O-N 3.05Å; N98-N101 WeakPolarHBondContact O-CB 3.39Å; N98-N101 PolarHBondContact O-N 3.37Å; N98-N101 PolarHBondContact OD1-ND2 2.82Å; N98-W102 PolarHBondContact O-N 3.35Å
99I95.3Very high94.2Very high0 Ų051.8 Ų51.80%024%0.241CC..Hα-helixtrans-57.2-36.7176-66.6-68.3000111.2L86 F88 F96 E97 N101 W102 I103 V118 L139L86-I99 HydrophobicContact CB-CD1 3.91Å; L86-I99 HydrophobicContact CD2-CG2 4.21Å; F88-I99 HydrophobicContact CB-CD1 4.01Å; F88-I99 HydrophobicContact CB-CG1 4Å; F88-I99 HydrophobicContact CD1-CD1 4.22Å; F88-I99 HydrophobicContact CD1-CG1 4.02Å; F88-I99 HydrophobicContact CG-CG1 4.35Å; F96-I99 VanDerWaalsContact O-CB 3.27Å; F96-I99 WeakPolarHBondContact O-CB 3.27Å; F96-I99 WeakPolarHBondContact O-CG1 3.48Å; F96-I99 PolarHBondContact O-N 3.46Å; E97-I99 PolarHBondContact O-N 2.83Å; I99-N101 VanDerWaalsContact C-N 3.28Å; I99-N101 PolarHBondContact O-N 2.97Å; I99-W102 WeakPolarHBondContact O-CB 3.24Å; I99-W102 PolarHBondContact O-N 3Å; I99-W102 VanDerWaalsContact O-N 3.11Å; I99-I103 HydrophobicContact CG2-CD1 3.87Å; I99-I103 HydrophobicContact CG2-CG1 4.21Å; I99-I103 WeakPolarHBondContact O-CG1 3.22Å; I99-I103 PolarHBondContact O-N 3.01Å; I99-V118 HydrophobicContact CG2-CG2 4.32Å; I99-L139 HydrophobicContact CB-CD2 3.99Å; I99-L139 HydrophobicContact CG2-CD2 3.63Å
100K93.7Very high93.9Very high78 Ų7852.2 Ų52.234%0.33925%0.246SC..Hα-helixtrans-59.9-39.5176.6-63.3-169.2175.4-160.10112.2E97 N98 I103 R104 L139 E142 Y143E97-K100 PolarHBondContact O-N 2.51Å; N98-K100 PolarHBondContact O-N 3.05Å; K100-I103 PolarHBondContact O-N 2.95Å; K100-R104 WeakPolarHBondContact O-CG 3.3Å; K100-R104 PolarHBondContact O-N 3.31Å; K100-R104 VanDerWaalsContact O-N 3.14Å; K100-L139 HydrophobicContact CG-CD1 4.11Å; K100-E142 IonicContact NZ-OE1 2.77Å; K100-E142 IonicContact NZ-OE2 2.88Å; K100-Y143 HydrophobicContact CG-CE2 4.31Å
101N92.3Very high93.4Very high56 Ų5655.3 Ų55.330%0.29927%0.267SS..Hα-helixtrans-68.9-39.3176.3-63.2-35.5000111.2N98 I99 R104 N105N98-N101 WeakPolarHBondContact O-CB 3.39Å; N98-N101 PolarHBondContact O-N 3.37Å; N98-N101 PolarHBondContact OD1-ND2 2.82Å; I99-N101 VanDerWaalsContact C-N 3.28Å; I99-N101 PolarHBondContact O-N 2.97Å; N101-R104 PolarHBondContact O-N 2.83Å; N101-N105 VanDerWaalsContact O-CG 3.27Å; N101-N105 PolarHBondContact O-N 3.43Å; N101-N105 VanDerWaalsContact O-N 3.09Å; N101-N105 PolarHBondContact O-ND2 2.56Å
102W92Very high92.9Very high7 Ų759 Ų593%0.02730%0.3CS..Hα-helixtrans-63.5-40.4175.1-70.1115.2000112.3I14 D16 R71 L86 N98 I99 N105 I106I14-W102 HydrophobicContact CB-CE3 4.2Å; I14-W102 HydrophobicContact CB-CZ3 4.42Å; I14-W102 HydrophobicContact CD1-CB 3.98Å; I14-W102 HydrophobicContact CD1-CD2 4.4Å; I14-W102 HydrophobicContact CD1-CE3 3.95Å; I14-W102 HydrophobicContact CD1-CG 4.46Å; I14-W102 HydrophobicContact CG1-CE3 4.42Å; D16-W102 PolarHBondContact OD1-NE1 2.87Å; R71-W102 HydrophobicContact CG-CH2 4.34Å; L86-W102 HydrophobicContact CD2-CB 3.72Å; N98-W102 PolarHBondContact O-N 3.35Å; I99-W102 WeakPolarHBondContact O-CB 3.24Å; I99-W102 PolarHBondContact O-N 3Å; I99-W102 VanDerWaalsContact O-N 3.11Å; W102-N105 PolarHBondContact O-N 2.89Å; W102-I106 WeakPolarHBondContact O-CG1 3.37Å; W102-I106 PolarHBondContact O-N 2.77Å; W102-I106 VanDerWaalsContact O-N 3.1Å
103I92.8Very high92.5Very high2 Ų258.6 Ų58.61%0.0130%0.298CS..Hα-helixtrans-61.7-46.2175.4-67.6171000111L86 I99 K100 N105 I106 E107 Y143 I145L86-I103 HydrophobicContact CD2-CG1 3.6Å; I99-I103 HydrophobicContact CG2-CD1 3.87Å; I99-I103 HydrophobicContact CG2-CG1 4.21Å; I99-I103 WeakPolarHBondContact O-CG1 3.22Å; I99-I103 PolarHBondContact O-N 3.01Å; K100-I103 PolarHBondContact O-N 2.95Å; I103-N105 VanDerWaalsContact C-N 3.31Å; I103-N105 PolarHBondContact O-N 3.45Å; I103-I106 WeakPolarHBondContact O-CB 3.3Å; I103-I106 PolarHBondContact O-N 2.9Å; I103-E107 HydrophobicContact CG2-CG 4.46Å; I103-E107 WeakPolarHBondContact O-CG 3.39Å; I103-E107 PolarHBondContact O-N 3.31Å; I103-Y143 HydrophobicContact CB-CE1 4.47Å; I103-Y143 HydrophobicContact CD1-CD1 4Å; I103-Y143 HydrophobicContact CD1-CD2 3.54Å; I103-Y143 HydrophobicContact CD1-CE1 4.21Å; I103-Y143 HydrophobicContact CD1-CE2 3.8Å; I103-Y143 HydrophobicContact CD1-CG 3.66Å; I103-Y143 HydrophobicContact CG2-CD1 3.71Å; I103-Y143 HydrophobicContact CG2-CE1 3.79Å; I103-Y143 HydrophobicContact CG2-CG 4.39Å; I103-I145 HydrophobicContact CD1-CD1 3.84Å; I103-I145 HydrophobicContact CG1-CD1 4.47Å
104R91.6Very high92.4Very high131 Ų13157 Ų5749%0.49429%0.291SS..Hα-helixtrans-56.4-44.8175.7-70.7174.1-174.7165-0.7112K100 N101 I106 E107 E108K100-R104 WeakPolarHBondContact O-CG 3.3Å; K100-R104 PolarHBondContact O-N 3.31Å; K100-R104 VanDerWaalsContact O-N 3.14Å; N101-R104 PolarHBondContact O-N 2.83Å; R104-I106 VanDerWaalsContact C-N 3.27Å; R104-I106 PolarHBondContact O-N 3.29Å; R104-E107 PolarHBondContact O-N 3.49Å; R104-E107 VanDerWaalsContact O-N 3.09Å; R104-E108 WeakPolarHBondContact O-CG 3.36Å; R104-E108 PolarHBondContact O-N 2.79Å
105N88.8Confident92.4Very high39 Ų3952.5 Ų52.521%0.20927%0.272CS..Hα-helixtrans-61.4-35.1176.9-65.2-22.7000112.6Y78 N101 W102 I103 H109Y78-N105 HydrophobicContact CE2-CB 4.48Å; N101-N105 VanDerWaalsContact O-CG 3.27Å; N101-N105 PolarHBondContact O-N 3.43Å; N101-N105 VanDerWaalsContact O-N 3.09Å; N101-N105 PolarHBondContact O-ND2 2.56Å; W102-N105 PolarHBondContact O-N 2.89Å; I103-N105 VanDerWaalsContact C-N 3.31Å; I103-N105 PolarHBondContact O-N 3.45Å; N105-H109 WeakPolarHBondContact O-CB 3.04Å; N105-H109 PolarHBondContact O-CD2 3.09Å; N105-H109 PolarHBondContact O-N 3.39Å
106I91.1Very high92.4Very high1 Ų154.5 Ų54.51%0.00528%0.281CS..Hα-helixtrans-66-45.3174.2-63.9169.5000109.9I14 Y78 I84 L86 W102 I103 R104 E108 H109 A110 V114 K116I14-I106 HydrophobicContact CD1-CD1 3.7Å; I14-I106 HydrophobicContact CD1-CG1 3.81Å; Y78-I106 HydrophobicContact CE1-CG1 3.96Å; I84-I106 HydrophobicContact CB-CD1 4.24Å; I84-I106 HydrophobicContact CD1-CB 4.44Å; I84-I106 HydrophobicContact CD1-CD1 4.21Å; I84-I106 HydrophobicContact CD1-CG1 3.96Å; I84-I106 HydrophobicContact CD1-CG2 3.71Å; I84-I106 HydrophobicContact CG2-CD1 3.68Å; I84-I106 HydrophobicContact CG2-CG1 4.26Å; L86-I106 HydrophobicContact CD1-CD1 3.81Å; L86-I106 HydrophobicContact CD2-CD1 3.79Å; L86-I106 HydrophobicContact CG-CD1 3.93Å; W102-I106 WeakPolarHBondContact O-CG1 3.37Å; W102-I106 PolarHBondContact O-N 2.77Å; W102-I106 VanDerWaalsContact O-N 3.1Å; I103-I106 WeakPolarHBondContact O-CB 3.3Å; I103-I106 PolarHBondContact O-N 2.9Å; R104-I106 VanDerWaalsContact C-N 3.27Å; R104-I106 PolarHBondContact O-N 3.29Å; I106-E108 VanDerWaalsContact C-N 3.27Å; I106-E108 PolarHBondContact O-N 2.9Å; I106-H109 PolarHBondContact O-N 3.15Å; I106-A110 HydrophobicContact CG2-CB 3.7Å; I106-A110 WeakPolarHBondContact O-CA 3.4Å; I106-A110 WeakPolarHBondContact O-CB 3.47Å; I106-A110 PolarHBondContact O-N 2.89Å; I106-V114 HydrophobicContact CG2-CG1 3.83Å; I106-K116 HydrophobicContact CG2-CD 4.28Å
107E91.1Very high92.4Very high114 Ų11453.8 Ų53.853%0.53328%0.278SS..Hα-helixtrans-63.7-33.1-179.4-69.2170.8170.900112.5I103 R104I103-E107 HydrophobicContact CG2-CG 4.46Å; I103-E107 WeakPolarHBondContact O-CG 3.39Å; I103-E107 PolarHBondContact O-N 3.31Å; R104-E107 PolarHBondContact O-N 3.49Å; R104-E107 VanDerWaalsContact O-N 3.09Å
108E90.3Very high92.5Very high132 Ų13248.3 Ų48.362%0.61725%0.252SS*.Hα-helixtrans-78.6-28.5178.6-72.1176.3-168.400114.2R104 I106R104-E108 WeakPolarHBondContact O-CG 3.36Å; R104-E108 PolarHBondContact O-N 2.79Å; I106-E108 VanDerWaalsContact C-N 3.27Å; I106-E108 PolarHBondContact O-N 2.9Å
109H88.2Confident92.6Very high85 Ų8546.9 Ų46.939%0.39425%0.245SC..Hα-helixtrans-127.6-21.9-166.1-60-40.7000115.7Y78 N105 I106Y78-H109 HydrophobicContact CD2-CB 3.59Å; Y78-H109 HydrophobicContact CE2-CB 4.35Å; Y78-H109 HydrophobicContact CG-CB 4.18Å; N105-H109 WeakPolarHBondContact O-CB 3.04Å; N105-H109 PolarHBondContact O-CD2 3.09Å; N105-H109 PolarHBondContact O-N 3.39Å; I106-H109 PolarHBondContact O-N 3.15Å
110A89.8Confident92.8Very high17 Ų1746.9 Ų46.914%0.1425%0.245CC..SBendtrans-90.7166.9177.300000111.2Y78 I84 I106 V114Y78-A110 HydrophobicContact CD1-CB 4.41Å; Y78-A110 HydrophobicContact CG-CB 4.49Å; I84-A110 HydrophobicContact CD1-CB 3.96Å; I106-A110 HydrophobicContact CG2-CB 3.7Å; I106-A110 WeakPolarHBondContact O-CA 3.4Å; I106-A110 WeakPolarHBondContact O-CB 3.47Å; I106-A110 PolarHBondContact O-N 2.89Å; A110-V114 HydrophobicContact CB-CB 4.47Å; A110-V114 HydrophobicContact CB-CG1 3.95Å
111S88.7Confident93Very high64 Ų6443.4 Ų43.445%0.44823%0.23SC..  trans-69.4142.9172.8-171.30000110.5D113 V114S111-D113 WeakPolarHBondContact CB-OD1 3.29Å; S111-D113 PolarHBondContact O-N 3.33Å; S111-D113 PolarHBondContact OG-OD1 3.07Å; S111-V114 WeakPolarHBondContact O-CB 3.27Å; S111-V114 VanDerWaalsContact O-CG1 3.22Å; S111-V114 WeakPolarHBondContact O-CG1 3.5Å; S111-V114 PolarHBondContact O-N 3.18Å
112A87.2Confident93.2Very high106 Ų10643.6 Ų43.688%0.87623%0.228SC*.THydrogen-bonded Turntrans-60.2-20.4-179.300000113.4
113D89.1Confident93.5Very high57 Ų5744.2 Ų44.231%0.30523%0.233SC..THydrogen-bonded Turntrans-92.77.5178.872.8-28.1000114S111 K172 K176S111-D113 WeakPolarHBondContact CB-OD1 3.29Å; S111-D113 PolarHBondContact O-N 3.33Å; S111-D113 PolarHBondContact OG-OD1 3.07Å; D113-K172 VanDerWaalsContact C-NZ 3.27Å; D113-K172 VanDerWaalsContact O-CE 3.26Å; D113-K172 WeakPolarHBondContact O-CE 3.48Å; D113-K172 PolarHBondContact O-NZ 3Å; D113-K176 IonicContact OD2-NZ 3.45Å; D113-K176 PolarHBondContact OD2-NZ 3.41Å
114V94.9Very high93.7Very high7 Ų746.7 Ų46.74%0.04225%0.246CC..  trans-67.3133.1176.873.90000111.1A81 I84 I106 A110 S111 K116A81-V114 HydrophobicContact CB-CG2 4.44Å; A81-V114 WeakPolarHBondContact O-CG2 3.38Å; I84-V114 HydrophobicContact CD1-CG1 4.18Å; I84-V114 HydrophobicContact CD1-CG2 3.72Å; I84-V114 HydrophobicContact CG1-CG2 3.7Å; I106-V114 HydrophobicContact CG2-CG1 3.83Å; A110-V114 HydrophobicContact CB-CB 4.47Å; A110-V114 HydrophobicContact CB-CG1 3.95Å; S111-V114 WeakPolarHBondContact O-CB 3.27Å; S111-V114 VanDerWaalsContact O-CG1 3.22Å; S111-V114 WeakPolarHBondContact O-CG1 3.5Å; S111-V114 PolarHBondContact O-N 3.18Å; V114-K116 HydrophobicContact CG1-CG 4.19Å
115E97.1Very high93.8Very high45 Ų4542.7 Ų42.721%0.2124%0.237CC..EExtended strand (participates in β ladder)trans-77.6142.8172.3-70.7-56.2128.600110.8M82 G83 I84 L165 D168 I169 K172M82-E115 PolarHBondContact O-N 2.85Å; G83-E115 CarbonylContact C-O 3.33Å; G83-E115 VanDerWaalsContact CA-O 3.24Å; G83-E115 WeakPolarHBondContact CA-O 3.42Å; I84-E115 PolarHBondContact N-O 2.97Å; E115-L165 HydrophobicContact CB-CD1 3.65Å; E115-D168 HydrophobicContact CG-CB 4.16Å; E115-I169 HydrophobicContact CB-CG1 3.83Å; E115-I169 HydrophobicContact CG-CG1 3.83Å; E115-K172 HydrophobicContact CG-CD 4.32Å; E115-K172 WeakPolarHBondContact OE1-CD 3.23Å; E115-K172 WeakPolarHBondContact OE1-CE 3.49Å; E115-K172 IonicContact OE1-NZ 2.68Å; E115-K172 PolarHBondContact OE1-NZ 3.33Å
116K96.4Very high94Very high42 Ų4245.2 Ų45.218%0.18325%0.25CS..EExtended strand (participates in β ladder)trans-131.9139.4-171.6-59.7168.3-164.9170.70110.5I84 I106 V114 I145I84-K116 WeakPolarHBondContact O-CA 3.45Å; I106-K116 HydrophobicContact CG2-CD 4.28Å; V114-K116 HydrophobicContact CG1-CG 4.19Å; K116-I145 HydrophobicContact CB-CB 4.25Å; K116-I145 HydrophobicContact CB-CG2 3.68Å; K116-I145 HydrophobicContact CD-CG2 4.06Å
117M97.9Very high94.3Very high2 Ų253.2 Ų53.21%0.0129%0.293CS..EExtended strand (participates in β ladder)trans-142.5138.5173.3179175.8-78.900110.7I84 M85 L86 L119 K146 A161 T164I84-M117 PolarHBondContact O-N 2.89Å; M85-M117 CarbonylContact C-O 3.58Å; M85-M117 VanDerWaalsContact CA-O 3.3Å; M85-M117 WeakPolarHBondContact CA-O 3.25Å; M85-M117 HydrophobicContact CE-SD 4.07Å; L86-M117 WeakPolarHBondContact CD1-O 3.45Å; L86-M117 PolarHBondContact N-O 3.46Å; M117-L119 HydrophobicContact CG-CD2 3.93Å; M117-L119 HydrophobicContact SD-CD2 3.82Å; M117-K146 CarbonylContact C-O 3.52Å; M117-K146 WeakPolarHBondContact CA-O 3.45Å; M117-K146 HydrophobicContact CB-CB 4.49Å; M117-K146 HydrophobicContact CE-CB 3.67Å; M117-K146 HydrophobicContact CE-CD 3.84Å; M117-K146 HydrophobicContact CE-CG 4.4Å; M117-K146 HydrophobicContact CG-CB 4.18Å; M117-A161 HydrophobicContact SD-CB 4.19Å; M117-T164 HydrophobicContact CE-CG2 3.59Å
118V98.3Very high94.5Very high0 Ų054.8 Ų54.80%030%0.298CS..EExtended strand (participates in β ladder)trans-97.8133.8172.8-177.20000109.8L86 F88 I99 I145 K146 F147 M148L86-V118 HydrophobicContact CB-CG2 4.44Å; L86-V118 HydrophobicContact CD1-CG2 4.43Å; L86-V118 CarbonylContact O-C 3.6Å; L86-V118 WeakPolarHBondContact O-CA 3.5Å; F88-V118 HydrophobicContact CD1-CG1 3.77Å; F88-V118 HydrophobicContact CE1-CG1 3.66Å; I99-V118 HydrophobicContact CG2-CG2 4.32Å; V118-I145 HydrophobicContact CG2-CD1 3.38Å; V118-I145 HydrophobicContact CG2-CG1 4.03Å; V118-K146 PolarHBondContact N-O 3.45Å; V118-F147 HydrophobicContact CB-CD2 4.12Å; V118-F147 HydrophobicContact CG1-CD2 4.01Å; V118-F147 HydrophobicContact CG1-CE2 4.49Å; V118-F147 VanDerWaalsContact O-CA 3.32Å; V118-F147 WeakPolarHBondContact O-CA 3.39Å; V118-M148 PolarHBondContact O-N 2.85Å
119L98.6Very high94.9Very high0 Ų051.6 Ų51.60%028%0.28CS..EExtended strand (participates in β ladder)trans-114.8122.4175-54.3-174.4000110.7V24 M85 L86 V87 F88 M117 N121 M148 T150 A161V24-L119 HydrophobicContact CG1-CD1 4.38Å; M85-L119 HydrophobicContact CB-CD1 4.34Å; M85-L119 HydrophobicContact CE-CD1 3.77Å; M85-L119 HydrophobicContact CE-CD2 4.11Å; M85-L119 HydrophobicContact CE-CG 4.29Å; M85-L119 HydrophobicContact SD-CD1 4.4Å; L86-L119 PolarHBondContact O-N 3.06Å; V87-L119 WeakPolarHBondContact CA-O 3.49Å; V87-L119 HydrophobicContact CG1-CB 4.38Å; V87-L119 HydrophobicContact CG2-CB 4.33Å; V87-L119 HydrophobicContact CG2-CD1 4.18Å; F88-L119 WeakPolarHBondContact CD1-O 3.45Å; F88-L119 PolarHBondContact N-O 3.26Å; M117-L119 HydrophobicContact CG-CD2 3.93Å; M117-L119 HydrophobicContact SD-CD2 3.82Å; L119-N121 PolarHBondContact O-N 3.17Å; L119-M148 VanDerWaalsContact CA-O 3.27Å; L119-M148 WeakPolarHBondContact CA-O 3.4Å; L119-M148 HydrophobicContact CD2-CB 4.1Å; L119-T150 HydrophobicContact CD1-CG2 4.42Å; L119-T150 HydrophobicContact CD2-CG2 4.1Å; L119-A161 HydrophobicContact CD1-CB 4.44Å; L119-A161 HydrophobicContact CD2-CB 3.78Å
120G98.5Very high95.4Very high0 Ų052.9 Ų52.90%029%0.286CS..EExtended strand (participates in β ladder)trans-90.392.3166.200000109.8M148 E149 T150G120-M148 PolarHBondContact N-O 2.55Å; G120-E149 CarbonylContact O-C 3.59Å; G120-E149 VanDerWaalsContact O-CA 3.27Å; G120-E149 WeakPolarHBondContact O-CA 3.44Å; G120-T150 PolarHBondContact O-N 3.21Å
121N98.4Very high95.8Very high4 Ų452.1 Ų52.12%0.02128%0.28CS..EExtended strand (participates in β ladder)trans-82.1164.6-175.4-170.334000112.3V19 V87 F88 I90 L119 T150 A152V19-N121 PolarHBondContact O-ND2 2.82Å; V87-N121 HydrophobicContact CG1-CB 3.79Å; F88-N121 WeakPolarHBondContact O-CB 3.27Å; F88-N121 PolarHBondContact O-N 3.36Å; I90-N121 WeakPolarHBondContact CG1-O 3.12Å; I90-N121 PolarHBondContact N-O 3.29Å; L119-N121 PolarHBondContact O-N 3.17Å; N121-T150 CarbonylContact C-O 3.55Å; N121-T150 VanDerWaalsContact CA-O 3.24Å; N121-T150 WeakPolarHBondContact CA-O 3.36Å; N121-T150 PolarHBondContact OD1-O 3.34Å; N121-T150 PolarHBondContact OD1-OG1 3.01Å; N121-A152 PolarHBondContact OD1-N 3.24Å
122K97.6Very high96.2Very high60 Ų6051.3 Ų51.326%0.26127%0.274SS..  trans68.332.3-178.3-45.6-170.1-165.2167.50113.7G18 D89 I90 D124 V125 T150G18-K122 WeakPolarHBondContact O-CE 3.48Å; G18-K122 PolarHBondContact O-NZ 3.37Å; D89-K122 WeakPolarHBondContact OD2-CD 3.38Å; D89-K122 WeakPolarHBondContact OD2-CE 3.45Å; D89-K122 IonicContact OD2-NZ 2.8Å; D89-K122 PolarHBondContact OD2-NZ 3.25Å; I90-K122 WeakPolarHBondContact CG1-O 3.45Å; K122-D124 WeakPolarHBondContact CA-OD1 3.35Å; K122-D124 PolarHBondContact O-N 3.01Å; K122-V125 PolarHBondContact O-N 3.4Å; K122-T150 PolarHBondContact N-O 2.84Å
123C97.6Very high96.7Very high20 Ų2051.3 Ų51.314%0.13525%0.254CS..THydrogen-bonded Turntrans-63.9-11.3178.4710000114.5I90 V125 E149 T150I90-C123 HydrophobicContact CD1-CB 4.41Å; C123-V125 VanDerWaalsContact C-N 3.28Å; C123-V125 PolarHBondContact O-N 3.03Å; C123-E149 HydrophobicContact CB-CB 3.99Å; C123-T150 PolarHBondContact N-O 3.11Å; C123-T150 VanDerWaalsContact N-O 3.1Å; C123-T150 PolarHBondContact SG-O 3.01Å
124D96.8Very high97.2Very high54 Ų5453.5 Ų53.529%0.28927%0.266SS..THydrogen-bonded Turntrans-69.8-19.5171.360.5-72.5000113.9K122 N126 S151 K153 A154K122-D124 WeakPolarHBondContact CA-OD1 3.35Å; K122-D124 PolarHBondContact O-N 3.01Å; D124-N126 PolarHBondContact O-N 3.5Å; D124-S151 VanDerWaalsContact OD1-CB 3.3Å; D124-S151 WeakPolarHBondContact OD1-CB 3.5Å; D124-S151 PolarHBondContact OD1-OG 3.24Å; D124-K153 WeakPolarHBondContact OD2-CD 3.42Å; D124-A154 HydrophobicContact CB-CB 4.03Å
125V94.4Very high97.3Very high48 Ų4857.7 Ų57.729%0.29128%0.281SS..  trans-102.355.7-178.2-161.60000110.8T91 K122 C123 D127 K128T91-V125 HydrophobicContact CG2-CB 4.17Å; T91-V125 HydrophobicContact CG2-CG1 4.49Å; K122-V125 PolarHBondContact O-N 3.4Å; C123-V125 VanDerWaalsContact C-N 3.28Å; C123-V125 PolarHBondContact O-N 3.03Å; V125-D127 VanDerWaalsContact C-N 3.26Å; V125-D127 PolarHBondContact O-N 3.38Å; V125-K128 HydrophobicContact CG1-CB 4.02Å; V125-K128 HydrophobicContact CG1-CD 3.99Å; V125-K128 HydrophobicContact CG1-CG 4Å; V125-K128 PolarHBondContact O-N 2.89Å; V125-K128 VanDerWaalsContact O-N 3.15Å
126N92.8Very high97.3Very high92 Ų9255.5 Ų55.549%0.49227%0.271SS..G310 helixtrans-62.4-30-171.7-163.153.9000113.7D124 K128 R129D124-N126 PolarHBondContact O-N 3.5Å; N126-K128 PolarHBondContact O-N 3.14Å; N126-R129 WeakPolarHBondContact O-CB 3.49Å; N126-R129 PolarHBondContact O-N 2.94Å; N126-R129 VanDerWaalsContact O-N 3.11Å; N126-R129 PolarHBondContact OD1-NE 3.29Å; N126-R129 PolarHBondContact OD1-NH2 2.98Å
127D95.9Very high97.4Very high168 Ų16857.5 Ų57.590%0.89828%0.281SS*.G310 helixtrans-66.2-20179.4-57.8-30.6000113.5V125V125-D127 VanDerWaalsContact C-N 3.26Å; V125-D127 PolarHBondContact O-N 3.38Å
128K96.5Very high97.4Very high147 Ų14764.4 Ų64.464%0.63931%0.311SS*.G310 helixtrans-105.712177.3-61.1-173.1-178.7-178.60112.7T91 V125 N126 Q130T91-K128 WeakPolarHBondContact CA-O 3.47Å; T91-K128 WeakPolarHBondContact CB-O 3.37Å; T91-K128 HydrophobicContact CG2-CB 3.91Å; V125-K128 HydrophobicContact CG1-CB 4.02Å; V125-K128 HydrophobicContact CG1-CD 3.99Å; V125-K128 HydrophobicContact CG1-CG 4Å; V125-K128 PolarHBondContact O-N 2.89Å; V125-K128 VanDerWaalsContact O-N 3.15Å; N126-K128 PolarHBondContact O-N 3.14Å; K128-Q130 PolarHBondContact O-N 3.27Å
129R98.3Very high97.3Very high65 Ų6564.8 Ų64.825%0.24531%0.313CS..  trans-60.9127.4-177.8179.7-179.9-73.5-89.211110.6I90 N126 V131 E149I90-R129 HydrophobicContact CD1-CB 4.26Å; I90-R129 HydrophobicContact CD1-CG 4.22Å; I90-R129 VanDerWaalsContact CD1-CZ 3.46Å; N126-R129 WeakPolarHBondContact O-CB 3.49Å; N126-R129 PolarHBondContact O-N 2.94Å; N126-R129 VanDerWaalsContact O-N 3.11Å; N126-R129 PolarHBondContact OD1-NE 3.29Å; N126-R129 PolarHBondContact OD1-NH2 2.98Å; R129-V131 WeakPolarHBondContact CD-O 3.36Å; R129-V131 WeakPolarHBondContact CG-O 3.49Å; R129-V131 PolarHBondContact NH1-O 3.34Å; R129-E149 IonicContact CZ-OE1 3.79Å; R129-E149 IonicContact CZ-OE2 3.79Å; R129-E149 IonicContact NH1-OE1 3.97Å; R129-E149 PolarHBondContact NH1-OE1 2.94Å; R129-E149 IonicContact NH1-OE2 3.17Å; R129-E149 IonicContact NH2-OE1 2.62Å; R129-E149 PolarHBondContact NH2-OE1 2.84Å; R129-E149 IonicContact NH2-OE2 2.68Å; R129-E149 PolarHBondContact NH2-OE2 3.15Å
130Q98.3Very high97.2Very high113 Ų11365 Ų6553%0.52832%0.315SS..  trans-107.8-31.1171.6-62.1-176.65.900111I90 T91 E93 K128I90-Q130 PolarHBondContact O-N 3.28Å; T91-Q130 PolarHBondContact O-NE2 3.42Å; T91-Q130 PolarHBondContact O-OE1 2.91Å; E93-Q130 HydrophobicContact CB-CB 4.33Å; K128-Q130 PolarHBondContact O-N 3.27Å
131V98.1Very high97.1Very high0 Ų071.9 Ų71.90%035%0.351CS..SBendtrans-106.7117.7179.6-172.90000109.4F88 I90 E93 F96 R129 R135F88-V131 HydrophobicContact CE2-CB 4.01Å; F88-V131 HydrophobicContact CE2-CG1 3.79Å; F88-V131 HydrophobicContact CE2-CG2 4.29Å; F88-V131 HydrophobicContact CZ-CG1 4.15Å; I90-V131 PolarHBondContact O-N 3.41Å; E93-V131 WeakPolarHBondContact OE2-CG2 3.47Å; F96-V131 HydrophobicContact CB-CG1 4.28Å; F96-V131 HydrophobicContact CB-CG2 3.62Å; F96-V131 HydrophobicContact CD1-CG1 4.03Å; F96-V131 HydrophobicContact CD1-CG2 4.27Å; F96-V131 HydrophobicContact CD2-CG1 3.77Å; F96-V131 HydrophobicContact CE1-CG1 4.31Å; F96-V131 HydrophobicContact CE2-CG1 4.04Å; F96-V131 HydrophobicContact CG-CG1 3.76Å; F96-V131 HydrophobicContact CG-CG2 3.95Å; F96-V131 HydrophobicContact CZ-CG1 4.31Å; R129-V131 WeakPolarHBondContact CD-O 3.36Å; R129-V131 WeakPolarHBondContact CG-O 3.49Å; R129-V131 PolarHBondContact NH1-O 3.34Å; V131-R135 HydrophobicContact CG1-CB 4.23Å
132S98.1Very high97Very high47 Ų4777.4 Ų77.433%0.32938%0.376SS..  trans-71.6154.1174.670.20000111.5D134 R135 G136S132-D134 VanDerWaalsContact C-N 3.27Å; S132-D134 PolarHBondContact O-N 2.79Å; S132-R135 PolarHBondContact O-N 3.29Å; S132-R135 VanDerWaalsContact OG-CG 3.32Å; S132-R135 WeakPolarHBondContact OG-CG 3.37Å; S132-R135 PolarHBondContact OG-N 2.68Å; S132-G136 PolarHBondContact O-N 3.07Å
133K97.7Very high96.9Very high106 Ų10677.5 Ų77.546%0.46138%0.376SS..Hα-helixtrans-57.2-42.3175.1-168.5-176.7179.4-1560111.9R135 G136 E137 F147 E149K133-R135 VanDerWaalsContact C-N 3.32Å; K133-R135 PolarHBondContact O-N 2.84Å; K133-G136 WeakPolarHBondContact O-CA 3.45Å; K133-G136 PolarHBondContact O-N 3.05Å; K133-E137 WeakPolarHBondContact CE-OE1 3.33Å; K133-E137 IonicContact NZ-OE1 3.52Å; K133-E137 PolarHBondContact NZ-OE1 3.23Å; K133-E137 WeakPolarHBondContact O-CG 3.21Å; K133-E137 PolarHBondContact O-N 2.83Å; K133-F147 HydrophobicContact CG-CE1 3.91Å; K133-E149 WeakPolarHBondContact CA-OE1 3.37Å; K133-E149 WeakPolarHBondContact CB-OE1 3.45Å; K133-E149 HydrophobicContact CG-CG 4.17Å
134D98.2Very high96.8Very high104 Ų10480 Ų8056%0.55640%0.404SS*.Hα-helixtrans-57.1-40.8176.7178.580.1000112.6S132 G136 E137 K138S132-D134 VanDerWaalsContact C-N 3.27Å; S132-D134 PolarHBondContact O-N 2.79Å; D134-G136 VanDerWaalsContact C-N 3.34Å; D134-G136 PolarHBondContact O-N 3.5Å; D134-E137 PolarHBondContact O-N 2.94Å; D134-K138 VanDerWaalsContact O-CB 3.25Å; D134-K138 WeakPolarHBondContact O-CB 3.47Å; D134-K138 PolarHBondContact O-N 3.46Å
135R97.9Very high96.7Very high94 Ų9478.6 Ų78.636%0.35540%0.397SS..Hα-helixtrans-64.7-39.5175.4-72.6178.471-153.2-2.6112E93 F96 V131 S132 K133 L139E93-R135 IonicContact OE1-CZ 3.47Å; E93-R135 IonicContact OE1-NH1 3.83Å; E93-R135 PolarHBondContact OE1-NH1 3.43Å; E93-R135 IonicContact OE1-NH2 2.71Å; E93-R135 PolarHBondContact OE1-NH2 3.05Å; E93-R135 IonicContact OE2-CZ 2.64Å; E93-R135 IonicContact OE2-NH1 2.79Å; E93-R135 PolarHBondContact OE2-NH1 3.47Å; E93-R135 IonicContact OE2-NH2 2.55Å; F96-R135 HydrophobicContact CE1-CB 4.46Å; F96-R135 HydrophobicContact CZ-CB 4.16Å; V131-R135 HydrophobicContact CG1-CB 4.23Å; S132-R135 PolarHBondContact O-N 3.29Å; S132-R135 VanDerWaalsContact OG-CG 3.32Å; S132-R135 WeakPolarHBondContact OG-CG 3.37Å; S132-R135 PolarHBondContact OG-N 2.68Å; K133-R135 VanDerWaalsContact C-N 3.32Å; K133-R135 PolarHBondContact O-N 2.84Å; R135-L139 WeakPolarHBondContact O-CB 3.24Å; R135-L139 PolarHBondContact O-N 2.94Å
136G97.3Very high96.8Very high0 Ų080.4 Ų80.40%040%0.401CS..Hα-helixtrans-62.2-47.3173.500000112.5S132 K133 D134 L139 A140S132-G136 PolarHBondContact O-N 3.07Å; K133-G136 WeakPolarHBondContact O-CA 3.45Å; K133-G136 PolarHBondContact O-N 3.05Å; D134-G136 VanDerWaalsContact C-N 3.34Å; D134-G136 PolarHBondContact O-N 3.5Å; G136-L139 PolarHBondContact O-N 3.4Å; G136-A140 PolarHBondContact O-N 3.44Å
137E97.8Very high97Very high84 Ų8477.7 Ų77.739%0.39339%0.385SS..Hα-helixtrans-62.2-44.3177-71.7172.917400111.7K133 D134 L139 A140 L141 F147K133-E137 WeakPolarHBondContact CE-OE1 3.33Å; K133-E137 IonicContact NZ-OE1 3.52Å; K133-E137 PolarHBondContact NZ-OE1 3.23Å; K133-E137 WeakPolarHBondContact O-CG 3.21Å; K133-E137 PolarHBondContact O-N 2.83Å; D134-E137 PolarHBondContact O-N 2.94Å; E137-L139 PolarHBondContact O-N 3.17Å; E137-A140 PolarHBondContact O-N 2.88Å; E137-L141 WeakPolarHBondContact O-CB 3.32Å; E137-L141 PolarHBondContact O-N 2.75Å; E137-F147 HydrophobicContact CB-CD1 4.38Å; E137-F147 HydrophobicContact CG-CD1 3.53Å; E137-F147 HydrophobicContact CG-CE1 3.89Å
138K98.2Very high97.2Very high147 Ų14771.4 Ų71.464%0.63935%0.35SS*.Hα-helixtrans-62.5-43177.5-173.1176.5-177.8177.10112.3D134 L141 E142D134-K138 VanDerWaalsContact O-CB 3.25Å; D134-K138 WeakPolarHBondContact O-CB 3.47Å; D134-K138 PolarHBondContact O-N 3.46Å; K138-L141 PolarHBondContact O-N 2.83Å; K138-E142 PolarHBondContact O-N 2.83Å
139L97Very high97.3Very high8 Ų865.5 Ų65.54%0.04233%0.325CS..Hα-helixtrans-62-45.5174.5-175.377.4000110.8F96 I99 K100 R135 G136 E137 L141 E142 Y143F96-L139 HydrophobicContact CD2-CD2 4.2Å; F96-L139 HydrophobicContact CE2-CB 4.06Å; F96-L139 HydrophobicContact CE2-CD2 3.51Å; F96-L139 HydrophobicContact CE2-CG 4.36Å; F96-L139 HydrophobicContact CZ-CB 3.97Å; F96-L139 HydrophobicContact CZ-CD2 3.94Å; F96-L139 HydrophobicContact CZ-CG 4.4Å; I99-L139 HydrophobicContact CB-CD2 3.99Å; I99-L139 HydrophobicContact CG2-CD2 3.63Å; K100-L139 HydrophobicContact CG-CD1 4.11Å; R135-L139 WeakPolarHBondContact O-CB 3.24Å; R135-L139 PolarHBondContact O-N 2.94Å; G136-L139 PolarHBondContact O-N 3.4Å; E137-L139 PolarHBondContact O-N 3.17Å; L139-L141 VanDerWaalsContact C-N 3.31Å; L139-L141 PolarHBondContact O-N 3.45Å; L139-E142 WeakPolarHBondContact O-CB 3.23Å; L139-E142 PolarHBondContact O-N 3.4Å; L139-Y143 HydrophobicContact CD1-CD2 4.14Å; L139-Y143 HydrophobicContact CD1-CE2 3.74Å; L139-Y143 HydrophobicContact CG-CD2 4.29Å; L139-Y143 HydrophobicContact CG-CE2 4.36Å; L139-Y143 WeakPolarHBondContact O-CD2 3.35Å; L139-Y143 PolarHBondContact O-N 3.11Å
140A96.1Very high97.3Very high4 Ų462.4 Ų62.43%0.03331%0.313CS..Hα-helixtrans-60-42.6177.500000112.1G136 E137 Y143 G144 I145 F147G136-A140 PolarHBondContact O-N 3.44Å; E137-A140 PolarHBondContact O-N 2.88Å; A140-Y143 CarbonylContact O-C 3.47Å; A140-Y143 PolarHBondContact O-N 3.35Å; A140-G144 PolarHBondContact O-N 2.78Å; A140-I145 CarbonylContact C-O 3.51Å; A140-I145 HydrophobicContact CB-CG1 4.28Å; A140-I145 WeakPolarHBondContact CB-O 3.25Å; A140-I145 PolarHBondContact O-N 2.68Å; A140-F147 HydrophobicContact CB-CB 3.45Å; A140-F147 VanDerWaalsContact CB-CB 3.45Å; A140-F147 HydrophobicContact CB-CG 4.49Å
141L96.9Very high97.3Very high144 Ų14457 Ų5775%0.75429%0.288SS*.Hα-helixtrans-62.8-42.9176.7-174.466.9000112E137 K138 L139 Y143 G144E137-L141 WeakPolarHBondContact O-CB 3.32Å; E137-L141 PolarHBondContact O-N 2.75Å; K138-L141 PolarHBondContact O-N 2.83Å; L139-L141 VanDerWaalsContact C-N 3.31Å; L139-L141 PolarHBondContact O-N 3.45Å; L141-Y143 PolarHBondContact O-N 3Å; L141-G144 PolarHBondContact O-N 2.86Å; L141-G144 VanDerWaalsContact O-N 3.14Å
142E96.4Very high97.2Very high120 Ų12057.1 Ų57.156%0.56129%0.289SS*.Hα-helixtrans-55.3-39.3177.2-175.5-177.1163.500112K100 K138 L139K100-E142 IonicContact NZ-OE1 2.77Å; K100-E142 IonicContact NZ-OE2 2.88Å; K138-E142 PolarHBondContact O-N 2.83Å; L139-E142 WeakPolarHBondContact O-CB 3.23Å; L139-E142 PolarHBondContact O-N 3.4Å
143Y94.8Very high97Very high63 Ų6361 Ų6125%0.24730%0.3CS..Hα-helixtrans-97.2-0.1-179.8-70.5-80000114.3K100 I103 L139 A140 L141 I145K100-Y143 HydrophobicContact CG-CE2 4.31Å; I103-Y143 HydrophobicContact CB-CE1 4.47Å; I103-Y143 HydrophobicContact CD1-CD1 4Å; I103-Y143 HydrophobicContact CD1-CD2 3.54Å; I103-Y143 HydrophobicContact CD1-CE1 4.21Å; I103-Y143 HydrophobicContact CD1-CE2 3.8Å; I103-Y143 HydrophobicContact CD1-CG 3.66Å; I103-Y143 HydrophobicContact CG2-CD1 3.71Å; I103-Y143 HydrophobicContact CG2-CE1 3.79Å; I103-Y143 HydrophobicContact CG2-CG 4.39Å; L139-Y143 HydrophobicContact CD1-CD2 4.14Å; L139-Y143 HydrophobicContact CD1-CE2 3.74Å; L139-Y143 HydrophobicContact CG-CD2 4.29Å; L139-Y143 HydrophobicContact CG-CE2 4.36Å; L139-Y143 WeakPolarHBondContact O-CD2 3.35Å; L139-Y143 PolarHBondContact O-N 3.11Å; A140-Y143 CarbonylContact O-C 3.47Å; A140-Y143 PolarHBondContact O-N 3.35Å; L141-Y143 PolarHBondContact O-N 3Å; Y143-I145 VanDerWaalsContact C-N 3.3Å; Y143-I145 PolarHBondContact O-N 3.23Å
144G95Very high97Very high72 Ų7258.5 Ų58.574%0.74230%0.299SS*.THydrogen-bonded Turntrans62.532.8-176.700000114A140 L141A140-G144 PolarHBondContact O-N 2.78Å; L141-G144 PolarHBondContact O-N 2.86Å; L141-G144 VanDerWaalsContact O-N 3.14Å
145I95.6Very high96.9Very high25 Ų2557 Ų5713%0.12829%0.291CS..  trans-117159.6-178.863.5-173.3000111.2I103 K116 V118 A140 Y143I103-I145 HydrophobicContact CD1-CD1 3.84Å; I103-I145 HydrophobicContact CG1-CD1 4.47Å; K116-I145 HydrophobicContact CB-CB 4.25Å; K116-I145 HydrophobicContact CB-CG2 3.68Å; K116-I145 HydrophobicContact CD-CG2 4.06Å; V118-I145 HydrophobicContact CG2-CD1 3.38Å; V118-I145 HydrophobicContact CG2-CG1 4.03Å; A140-I145 CarbonylContact C-O 3.51Å; A140-I145 HydrophobicContact CB-CG1 4.28Å; A140-I145 WeakPolarHBondContact CB-O 3.25Å; A140-I145 PolarHBondContact O-N 2.68Å; Y143-I145 VanDerWaalsContact C-N 3.3Å; Y143-I145 PolarHBondContact O-N 3.23Å
146K95.8Very high96.9Very high86 Ų8655.8 Ų55.837%0.37429%0.291SS..EExtended strand (participates in β ladder)trans-77151.3179.6-66.5-173-179.8-179.50111.8M117 V118 T164 D168M117-K146 CarbonylContact C-O 3.52Å; M117-K146 WeakPolarHBondContact CA-O 3.45Å; M117-K146 HydrophobicContact CB-CB 4.49Å; M117-K146 HydrophobicContact CE-CB 3.67Å; M117-K146 HydrophobicContact CE-CD 3.84Å; M117-K146 HydrophobicContact CE-CG 4.4Å; M117-K146 HydrophobicContact CG-CB 4.18Å; V118-K146 PolarHBondContact N-O 3.45Å; K146-T164 HydrophobicContact CD-CG2 3.9Å; K146-D168 WeakPolarHBondContact CD-OD2 3.12Å; K146-D168 WeakPolarHBondContact CE-OD2 3.13Å; K146-D168 IonicContact NZ-OD1 2.7Å; K146-D168 PolarHBondContact NZ-OD1 3.3Å; K146-D168 IonicContact NZ-OD2 2.63Å; K146-D168 PolarHBondContact NZ-OD2 2.82Å
147F98.3Very high96.9Very high35 Ų3558.6 Ų58.615%0.15431%0.306CS..EExtended strand (participates in β ladder)trans-128.8143.1173.4171.2-107.8000111.7F88 V118 K133 E137 A140 E149F88-F147 HydrophobicContact CE1-CD2 4.47Å; F88-F147 AromaticContact CE1-CE2 3.75Å; F88-F147 HydrophobicContact CE1-CE2 3.75Å; F88-F147 AromaticContact CZ-CE2 3.84Å; F88-F147 HydrophobicContact CZ-CE2 3.84Å; F88-F147 HydrophobicContact CZ-CZ 4.34Å; V118-F147 HydrophobicContact CB-CD2 4.12Å; V118-F147 HydrophobicContact CG1-CD2 4.01Å; V118-F147 HydrophobicContact CG1-CE2 4.49Å; V118-F147 VanDerWaalsContact O-CA 3.32Å; V118-F147 WeakPolarHBondContact O-CA 3.39Å; K133-F147 HydrophobicContact CG-CE1 3.91Å; E137-F147 HydrophobicContact CB-CD1 4.38Å; E137-F147 HydrophobicContact CG-CD1 3.53Å; E137-F147 HydrophobicContact CG-CE1 3.89Å; A140-F147 HydrophobicContact CB-CB 3.45Å; A140-F147 VanDerWaalsContact CB-CB 3.45Å; A140-F147 HydrophobicContact CB-CG 4.49Å; F147-E149 HydrophobicContact CE1-CG 3.94Å; F147-E149 HydrophobicContact CZ-CG 3.56Å
148M98.5Very high96.9Very high36 Ų3654.6 Ų54.618%0.17729%0.287CS..EExtended strand (participates in β ladder)trans-148.2134173.9-169.5171.3-71.900110.4V118 L119 G120 T150 N157 N160 A161V118-M148 PolarHBondContact O-N 2.85Å; L119-M148 VanDerWaalsContact CA-O 3.27Å; L119-M148 WeakPolarHBondContact CA-O 3.4Å; L119-M148 HydrophobicContact CD2-CB 4.1Å; G120-M148 PolarHBondContact N-O 2.55Å; M148-T150 HydrophobicContact CG-CG2 4.34Å; M148-N157 HydrophobicContact CG-CB 3.85Å; M148-N157 HydrophobicContact SD-CB 3.65Å; M148-N160 HydrophobicContact CE-CB 4.24Å; M148-N160 HydrophobicContact SD-CB 4Å; M148-A161 HydrophobicContact SD-CB 3.78Å
149E98.5Very high96.9Very high23 Ų2350.8 Ų50.811%0.10727%0.272CS..EExtended strand (participates in β ladder)trans-82.5136.1167.2-68.3-16315700110.3G120 C123 R129 K133 F147 N157G120-E149 CarbonylContact O-C 3.59Å; G120-E149 VanDerWaalsContact O-CA 3.27Å; G120-E149 WeakPolarHBondContact O-CA 3.44Å; C123-E149 HydrophobicContact CB-CB 3.99Å; R129-E149 IonicContact CZ-OE1 3.79Å; R129-E149 IonicContact CZ-OE2 3.79Å; R129-E149 IonicContact NH1-OE1 3.97Å; R129-E149 PolarHBondContact NH1-OE1 2.94Å; R129-E149 IonicContact NH1-OE2 3.17Å; R129-E149 IonicContact NH2-OE1 2.62Å; R129-E149 PolarHBondContact NH2-OE1 2.84Å; R129-E149 IonicContact NH2-OE2 2.68Å; R129-E149 PolarHBondContact NH2-OE2 3.15Å; K133-E149 WeakPolarHBondContact CA-OE1 3.37Å; K133-E149 WeakPolarHBondContact CB-OE1 3.45Å; K133-E149 HydrophobicContact CG-CG 4.17Å; F147-E149 HydrophobicContact CE1-CG 3.94Å; F147-E149 HydrophobicContact CZ-CG 3.56Å; E149-N157 VanDerWaalsContact O-CB 3.24Å; E149-N157 WeakPolarHBondContact O-CB 3.49Å; E149-N157 PolarHBondContact O-ND2 2.87Å
150T98.5Very high96.9Very high0 Ų054.6 Ų54.60%029%0.292CS..EExtended strand (participates in β ladder)trans-130.8156.8-176.760.80000111.9L119 G120 N121 K122 C123 M148 I156 N157 A161L119-T150 HydrophobicContact CD1-CG2 4.42Å; L119-T150 HydrophobicContact CD2-CG2 4.1Å; G120-T150 PolarHBondContact O-N 3.21Å; N121-T150 CarbonylContact C-O 3.55Å; N121-T150 VanDerWaalsContact CA-O 3.24Å; N121-T150 WeakPolarHBondContact CA-O 3.36Å; N121-T150 PolarHBondContact OD1-O 3.34Å; N121-T150 PolarHBondContact OD1-OG1 3.01Å; K122-T150 PolarHBondContact N-O 2.84Å; C123-T150 PolarHBondContact N-O 3.11Å; C123-T150 VanDerWaalsContact N-O 3.1Å; C123-T150 PolarHBondContact SG-O 3.01Å; M148-T150 HydrophobicContact CG-CG2 4.34Å; T150-I156 CarbonylContact C-O 3.59Å; T150-I156 VanDerWaalsContact CA-O 3.27Å; T150-I156 WeakPolarHBondContact CA-O 3.39Å; T150-N157 HydrophobicContact CG2-CB 4.03Å; T150-A161 HydrophobicContact CG2-CB 4.3Å
151S98Very high97Very high0 Ų054.4 Ų54.40%029%0.291CS..BIsolated β-bridgetrans-136111164.9175.10000109.2D124 K153 A154 N155 I156D124-S151 VanDerWaalsContact OD1-CB 3.3Å; D124-S151 WeakPolarHBondContact OD1-CB 3.5Å; D124-S151 PolarHBondContact OD1-OG 3.24Å; S151-K153 PolarHBondContact O-N 3.46Å; S151-K153 PolarHBondContact OG-N 3.2Å; S151-A154 PolarHBondContact OG-N 2.66Å; S151-N155 CarbonylContact O-C 3.59Å; S151-N155 VanDerWaalsContact O-CA 3.23Å; S151-N155 WeakPolarHBondContact O-CA 3.27Å; S151-N155 PolarHBondContact O-N 3.08Å; S151-I156 PolarHBondContact N-O 3.28Å; S151-I156 PolarHBondContact O-N 2.98Å
152A96.3Very high97.1Very high2 Ų247.6 Ų47.62%0.01726%0.255CS..THydrogen-bonded Turntrans-60.3-33.2169.700000112.3C23 V24 R27 F33 N121C23-A152 HydrophobicContact CB-CB 3.67Å; V24-A152 HydrophobicContact CG2-CB 4.01Å; R27-A152 HydrophobicContact CB-CB 4.41Å; R27-A152 PolarHBondContact NE-O 3.02Å; F33-A152 HydrophobicContact CD2-CB 4.19Å; F33-A152 HydrophobicContact CE2-CB 4.3Å; N121-A152 PolarHBondContact OD1-N 3.24Å
153K95.4Very high97.1Very high127 Ų12743.5 Ų43.555%0.55224%0.236SC*.THydrogen-bonded Turntrans-71.8-52.8-178-177.3-179.9169.8-163.10111.7F33 D124 S151 N155F33-K153 HydrophobicContact CD1-CB 4.45Å; F33-K153 HydrophobicContact CD1-CG 4.21Å; F33-K153 HydrophobicContact CD2-CB 4.24Å; F33-K153 HydrophobicContact CE1-CB 4.11Å; F33-K153 HydrophobicContact CE1-CD 4.35Å; F33-K153 HydrophobicContact CE1-CG 3.85Å; F33-K153 HydrophobicContact CE2-CB 3.88Å; F33-K153 HydrophobicContact CZ-CB 3.81Å; F33-K153 HydrophobicContact CZ-CD 4.43Å; F33-K153 HydrophobicContact CZ-CG 4.03Å; D124-K153 WeakPolarHBondContact OD2-CD 3.42Å; S151-K153 PolarHBondContact O-N 3.46Å; S151-K153 PolarHBondContact OG-N 3.2Å; K153-N155 VanDerWaalsContact C-N 3.31Å
154A95.9Very high97.3Very high54 Ų5442 Ų4245%0.44623%0.233SC..THydrogen-bonded Turntrans-88.64.6-178.200000113.5D124 S151 I156D124-A154 HydrophobicContact CB-CB 4.03Å; S151-A154 PolarHBondContact OG-N 2.66Å; A154-I156 HydrophobicContact CB-CD1 3.79Å; A154-I156 HydrophobicContact CB-CG1 3.86Å; A154-I156 PolarHBondContact O-N 2.83Å
155N96.4Very high97.4Very high72 Ų7238.5 Ų38.539%0.38520%0.198SC..THydrogen-bonded Turntrans53.238.3-174.8-163.118.9000113.8R27 S151 K153R27-N155 WeakPolarHBondContact CD-OD1 3.48Å; R27-N155 HydrophobicContact CG-CB 4.43Å; R27-N155 WeakPolarHBondContact CG-OD1 3.37Å; S151-N155 CarbonylContact O-C 3.59Å; S151-N155 VanDerWaalsContact O-CA 3.23Å; S151-N155 WeakPolarHBondContact O-CA 3.27Å; S151-N155 PolarHBondContact O-N 3.08Å; K153-N155 VanDerWaalsContact C-N 3.31Å
156I98.1Very high97.5Very high69 Ų6937.3 Ų37.335%0.35419%0.192SC..BIsolated β-bridgetrans-87.2122.8179.1-60169.9000108.2T150 S151 A154 V158T150-I156 CarbonylContact C-O 3.59Å; T150-I156 VanDerWaalsContact CA-O 3.27Å; T150-I156 WeakPolarHBondContact CA-O 3.39Å; S151-I156 PolarHBondContact N-O 3.28Å; S151-I156 PolarHBondContact O-N 2.98Å; A154-I156 HydrophobicContact CB-CD1 3.79Å; A154-I156 HydrophobicContact CB-CG1 3.86Å; A154-I156 PolarHBondContact O-N 2.83Å; I156-V158 PolarHBondContact O-N 2.99Å
157N98.1Very high97.6Very high59 Ų5938.3 Ų38.332%0.31619%0.193SC..SBendtrans597.6171.4-75.3-26.3000116.8M148 E149 T150 N160 A161M148-N157 HydrophobicContact CG-CB 3.85Å; M148-N157 HydrophobicContact SD-CB 3.65Å; E149-N157 VanDerWaalsContact O-CB 3.24Å; E149-N157 WeakPolarHBondContact O-CB 3.49Å; E149-N157 PolarHBondContact O-ND2 2.87Å; T150-N157 HydrophobicContact CG2-CB 4.03Å; N157-N160 PolarHBondContact O-N 2.7Å; N157-N160 PolarHBondContact OD1-ND2 3.39Å; N157-A161 WeakPolarHBondContact O-CB 3.48Å; N157-A161 PolarHBondContact O-N 2.99Å
158V97.9Very high97.5Very high1 Ų138.2 Ų38.21%0.00619%0.194CC..Hα-helixtrans-62.7-55.9-179.1175.90000110.6V24 R27 F28 I156 N160 A161 F162V24-V158 HydrophobicContact CG1-CG1 4.28Å; R27-V158 HydrophobicContact CB-CG1 4.17Å; R27-V158 HydrophobicContact CG-CB 4.07Å; R27-V158 HydrophobicContact CG-CG1 3.91Å; R27-V158 HydrophobicContact CG-CG2 3.94Å; F28-V158 HydrophobicContact CB-CG1 3.84Å; I156-V158 PolarHBondContact O-N 2.99Å; V158-N160 VanDerWaalsContact C-N 3.33Å; V158-N160 PolarHBondContact O-N 3.09Å; V158-A161 PolarHBondContact O-N 3.39Å; V158-F162 HydrophobicContact CG1-CD2 4.4Å; V158-F162 HydrophobicContact CG1-CE2 4.21Å; V158-F162 VanDerWaalsContact O-CD2 3.3Å; V158-F162 WeakPolarHBondContact O-CD2 3.2Å; V158-F162 PolarHBondContact O-N 3.11Å
159E96.9Very high97.5Very high67 Ų6736.7 Ų36.731%0.31319%0.187SC..Hα-helixtrans-57-47.2176.3-169.970.5-171.400111.5F28 R48 A161 F162 M163F28-E159 VanDerWaalsContact CD2-OE2 3.25Å; F28-E159 WeakPolarHBondContact CD2-OE2 3.21Å; F28-E159 VanDerWaalsContact CE2-OE2 3.27Å; F28-E159 WeakPolarHBondContact CE2-OE2 3.47Å; R48-E159 IonicContact CZ-OE1 3.77Å; R48-E159 IonicContact CZ-OE2 3.42Å; R48-E159 IonicContact NH1-OE1 3.29Å; R48-E159 PolarHBondContact NH1-OE1 3.1Å; R48-E159 IonicContact NH1-OE2 2.86Å; R48-E159 PolarHBondContact NH1-OE2 3.36Å; R48-E159 IonicContact NH2-OE1 3.42Å; R48-E159 PolarHBondContact NH2-OE1 3.31Å; R48-E159 IonicContact NH2-OE2 3.76Å; R48-E159 PolarHBondContact NH2-OE2 3.32Å; E159-A161 VanDerWaalsContact C-N 3.27Å; E159-A161 PolarHBondContact O-N 2.96Å; E159-F162 PolarHBondContact O-N 3.33Å; E159-M163 HydrophobicContact CG-CG 4.06Å; E159-M163 WeakPolarHBondContact O-CB 3.46Å; E159-M163 VanDerWaalsContact O-CG 3.24Å; E159-M163 WeakPolarHBondContact O-CG 3.43Å; E159-M163 PolarHBondContact O-N 3.04Å
160N97.9Very high97.3Very high88 Ų8836.7 Ų36.747%0.47119%0.186SC..Hα-helixtrans-58.3-39.1-178-68.7-22.8000112.2M148 N157 V158 T164M148-N160 HydrophobicContact CE-CB 4.24Å; M148-N160 HydrophobicContact SD-CB 4Å; N157-N160 PolarHBondContact O-N 2.7Å; N157-N160 PolarHBondContact OD1-ND2 3.39Å; V158-N160 VanDerWaalsContact C-N 3.33Å; V158-N160 PolarHBondContact O-N 3.09Å; N160-T164 WeakPolarHBondContact O-CB 3.2Å; N160-T164 PolarHBondContact O-N 2.84Å; N160-T164 PolarHBondContact O-OG1 3.27Å
161A98.4Very high97.1Very high0 Ų038.8 Ų38.80%020%0.204CC..Hα-helixtrans-63.1-50.5179.400000111.6M85 M117 L119 M148 T150 N157 V158 E159 T164 L165M85-A161 HydrophobicContact CE-CB 3.58Å; M117-A161 HydrophobicContact SD-CB 4.19Å; L119-A161 HydrophobicContact CD1-CB 4.44Å; L119-A161 HydrophobicContact CD2-CB 3.78Å; M148-A161 HydrophobicContact SD-CB 3.78Å; T150-A161 HydrophobicContact CG2-CB 4.3Å; N157-A161 WeakPolarHBondContact O-CB 3.48Å; N157-A161 PolarHBondContact O-N 2.99Å; V158-A161 PolarHBondContact O-N 3.39Å; E159-A161 VanDerWaalsContact C-N 3.27Å; E159-A161 PolarHBondContact O-N 2.96Å; A161-T164 PolarHBondContact O-N 2.68Å; A161-L165 PolarHBondContact O-N 3.09Å; A161-L165 VanDerWaalsContact O-N 3.08Å
162F98.1Very high96.9Very high0 Ų041.8 Ų41.80%022%0.217CC..Hα-helixtrans-66-42.8178.7-74.7-81.8000112.2L11 L13 V24 F28 I61 M85 V158 E159 T164 L165 A166L11-F162 HydrophobicContact CD1-CD1 4.04Å; L13-F162 HydrophobicContact CD1-CZ 4.48Å; L13-F162 HydrophobicContact CD2-CE1 4.25Å; L13-F162 HydrophobicContact CD2-CZ 4.2Å; V24-F162 HydrophobicContact CG1-CE2 3.74Å; V24-F162 HydrophobicContact CG1-CZ 4.08Å; F28-F162 HydrophobicContact CB-CD2 3.74Å; F28-F162 HydrophobicContact CB-CE2 3.52Å; F28-F162 HydrophobicContact CB-CZ 4.22Å; F28-F162 HydrophobicContact CD1-CD1 4.15Å; F28-F162 AromaticContact CD1-CD2 3.93Å; F28-F162 HydrophobicContact CD1-CD2 3.93Å; F28-F162 HydrophobicContact CD1-CE1 4.32Å; F28-F162 HydrophobicContact CD1-CE2 4.11Å; F28-F162 AromaticContact CD1-CG 3.96Å; F28-F162 HydrophobicContact CD1-CG 3.96Å; F28-F162 HydrophobicContact CD1-CZ 4.3Å; F28-F162 HydrophobicContact CD2-CB 3.82Å; F28-F162 AromaticContact CD2-CD2 3.33Å; F28-F162 HydrophobicContact CD2-CD2 3.33Å; F28-F162 HydrophobicContact CD2-CE2 4.05Å; F28-F162 AromaticContact CD2-CG 3.71Å; F28-F162 HydrophobicContact CD2-CG 3.71Å; F28-F162 HydrophobicContact CE1-CB 4.18Å; F28-F162 HydrophobicContact CE1-CD1 4.12Å; F28-F162 HydrophobicContact CE1-CD2 4.38Å; F28-F162 AromaticContact CE1-CG 3.98Å; F28-F162 HydrophobicContact CE1-CG 3.98Å; F28-F162 HydrophobicContact CE2-CB 3.36Å; F28-F162 AromaticContact CE2-CD2 3.86Å; F28-F162 HydrophobicContact CE2-CD2 3.86Å; F28-F162 AromaticContact CE2-CG 3.73Å; F28-F162 HydrophobicContact CE2-CG 3.73Å; F28-F162 HydrophobicContact CG-CB 4.4Å; F28-F162 HydrophobicContact CG-CD1 4.43Å; F28-F162 AromaticContact CG-CD2 3.38Å; F28-F162 HydrophobicContact CG-CD2 3.38Å; F28-F162 AromaticContact CG-CE2 3.63Å; F28-F162 HydrophobicContact CG-CE2 3.63Å; F28-F162 AromaticContact CG-CG 3.83Å; F28-F162 HydrophobicContact CG-CG 3.83Å; F28-F162 HydrophobicContact CG-CZ 4.26Å; F28-F162 HydrophobicContact CZ-CB 3.58Å; F28-F162 HydrophobicContact CZ-CD1 4.37Å; F28-F162 HydrophobicContact CZ-CD2 4.35Å; F28-F162 AromaticContact CZ-CG 3.88Å; F28-F162 HydrophobicContact CZ-CG 3.88Å; I61-F162 HydrophobicContact CD1-CD1 4.04Å; I61-F162 HydrophobicContact CD1-CE1 3.78Å; I61-F162 HydrophobicContact CG1-CE1 4.47Å; I61-F162 HydrophobicContact CG2-CE1 4.16Å; M85-F162 HydrophobicContact CE-CD1 4.38Å; M85-F162 HydrophobicContact CE-CG 4.39Å; M85-F162 HydrophobicContact SD-CD1 3.72Å; M85-F162 HydrophobicContact SD-CE1 3.52Å; M85-F162 VanDerWaalsContact SD-CE1 3.52Å; M85-F162 HydrophobicContact SD-CE2 4.5Å; M85-F162 HydrophobicContact SD-CG 4.29Å; M85-F162 HydrophobicContact SD-CZ 3.95Å; V158-F162 HydrophobicContact CG1-CD2 4.4Å; V158-F162 HydrophobicContact CG1-CE2 4.21Å; V158-F162 VanDerWaalsContact O-CD2 3.3Å; V158-F162 WeakPolarHBondContact O-CD2 3.2Å; V158-F162 PolarHBondContact O-N 3.11Å; E159-F162 PolarHBondContact O-N 3.33Å; F162-T164 VanDerWaalsContact C-N 3.33Å; F162-T164 PolarHBondContact O-N 2.86Å; F162-L165 PolarHBondContact O-N 2.9Å; F162-A166 VanDerWaalsContact O-CB 3.31Å; F162-A166 WeakPolarHBondContact O-CB 3.47Å; F162-A166 PolarHBondContact O-N 3.38Å
163M97.8Very high96.6Very high35 Ų3544.7 Ų44.717%0.17223%0.231CC..Hα-helixtrans-64.3-38.4178.1-67.8-61.6-73.300112I50 L52 E159 R167I50-M163 HydrophobicContact CB-SD 4.03Å; I50-M163 HydrophobicContact CD1-CE 4.28Å; I50-M163 HydrophobicContact CD1-SD 3.46Å; I50-M163 WeakPolarHBondContact CD1-SD 3.37Å; I50-M163 HydrophobicContact CG1-SD 4.31Å; I50-M163 HydrophobicContact CG2-SD 4.13Å; L52-M163 HydrophobicContact CB-CE 4.45Å; L52-M163 HydrophobicContact CD1-CE 4.1Å; E159-M163 HydrophobicContact CG-CG 4.06Å; E159-M163 WeakPolarHBondContact O-CB 3.46Å; E159-M163 VanDerWaalsContact O-CG 3.24Å; E159-M163 WeakPolarHBondContact O-CG 3.43Å; E159-M163 PolarHBondContact O-N 3.04Å; M163-R167 WeakPolarHBondContact O-CB 2.88Å; M163-R167 PolarHBondContact O-N 2.79Å
164T98.1Very high96.4Very high30 Ų3040.4 Ų40.418%0.18421%0.214CC..Hα-helixtrans-65.8-48.7177.5-61.40000111M117 K146 N160 A161 F162 A166 R167 D168M117-T164 HydrophobicContact CE-CG2 3.59Å; K146-T164 HydrophobicContact CD-CG2 3.9Å; N160-T164 WeakPolarHBondContact O-CB 3.2Å; N160-T164 PolarHBondContact O-N 2.84Å; N160-T164 PolarHBondContact O-OG1 3.27Å; A161-T164 PolarHBondContact O-N 2.68Å; F162-T164 VanDerWaalsContact C-N 3.33Å; F162-T164 PolarHBondContact O-N 2.86Å; T164-A166 VanDerWaalsContact C-N 3.34Å; T164-A166 PolarHBondContact O-N 3.31Å; T164-R167 WeakPolarHBondContact O-CB 3.39Å; T164-R167 PolarHBondContact O-N 3.4Å; T164-D168 PolarHBondContact O-N 3.21Å; T164-D168 VanDerWaalsContact O-N 3.08Å
165L98.1Very high96.2Very high0 Ų045.1 Ų45.10%022%0.224CC..Hα-helixtrans-62.6-41.8177.6-177.163.4000111.7L11 M85 E115 A161 F162 R167 D168 I169L11-L165 HydrophobicContact CD2-CD2 4.08Å; L11-L165 HydrophobicContact CD2-CG 4.49Å; M85-L165 HydrophobicContact CE-CD2 4.48Å; M85-L165 HydrophobicContact CG-CD2 3.42Å; M85-L165 VanDerWaalsContact CG-CD2 3.42Å; M85-L165 HydrophobicContact SD-CD2 4.1Å; E115-L165 HydrophobicContact CB-CD1 3.65Å; A161-L165 PolarHBondContact O-N 3.09Å; A161-L165 VanDerWaalsContact O-N 3.08Å; F162-L165 PolarHBondContact O-N 2.9Å; L165-R167 VanDerWaalsContact C-N 3.31Å; L165-R167 PolarHBondContact O-N 3.22Å; L165-D168 PolarHBondContact O-N 3.26Å; L165-I169 HydrophobicContact CG-CD1 4.12Å; L165-I169 VanDerWaalsContact O-CG1 3.3Å; L165-I169 WeakPolarHBondContact O-CG1 3.44Å; L165-I169 PolarHBondContact O-N 3.29Å
166A97.8Very high95.7Very high0 Ų046.9 Ų46.90%023%0.228CC..Hα-helixtrans-61.1-39.5175.900000112.1F9 I50 L52 L59 F162 T164 I169 K170F9-A166 HydrophobicContact CD2-CB 4.26Å; F9-A166 HydrophobicContact CE2-CB 4.35Å; F9-A166 VanDerWaalsContact CE2-O 3.32Å; F9-A166 WeakPolarHBondContact CE2-O 3.39Å; I50-A166 HydrophobicContact CD1-CB 3.77Å; L52-A166 HydrophobicContact CD1-CB 4.12Å; L59-A166 HydrophobicContact CD2-CB 4.27Å; F162-A166 VanDerWaalsContact O-CB 3.31Å; F162-A166 WeakPolarHBondContact O-CB 3.47Å; F162-A166 PolarHBondContact O-N 3.38Å; T164-A166 VanDerWaalsContact C-N 3.34Å; T164-A166 PolarHBondContact O-N 3.31Å; A166-I169 PolarHBondContact O-N 3.14Å; A166-K170 WeakPolarHBondContact O-CB 3.43Å; A166-K170 PolarHBondContact O-N 2.96Å
167R97.4Very high94.9Very high107 Ų10748.9 Ų48.940%0.40424%0.239SC..Hα-helixtrans-62.2-42.8175.4-167.8174.4-69102.5-2.9111.9L52 M163 T164 L165 K170 A171L52-R167 HydrophobicContact CD1-CB 4.03Å; L52-R167 HydrophobicContact CD2-CB 4.43Å; L52-R167 HydrophobicContact CD2-CG 4.36Å; M163-R167 WeakPolarHBondContact O-CB 2.88Å; M163-R167 PolarHBondContact O-N 2.79Å; T164-R167 WeakPolarHBondContact O-CB 3.39Å; T164-R167 PolarHBondContact O-N 3.4Å; L165-R167 VanDerWaalsContact C-N 3.31Å; L165-R167 PolarHBondContact O-N 3.22Å; R167-K170 PolarHBondContact O-N 3.32Å; R167-A171 WeakPolarHBondContact O-CB 3.19Å; R167-A171 PolarHBondContact O-N 2.62Å
168D96.6Very high94.1Very high33 Ų3353 Ų5318%0.17626%0.256CS..Hα-helixtrans-64.8-44.5179.5-63.2-32.1000111.7E115 K146 T164 L165 K170 A171 K172E115-D168 HydrophobicContact CG-CB 4.16Å; K146-D168 WeakPolarHBondContact CD-OD2 3.12Å; K146-D168 WeakPolarHBondContact CE-OD2 3.13Å; K146-D168 IonicContact NZ-OD1 2.7Å; K146-D168 PolarHBondContact NZ-OD1 3.3Å; K146-D168 IonicContact NZ-OD2 2.63Å; K146-D168 PolarHBondContact NZ-OD2 2.82Å; T164-D168 PolarHBondContact O-N 3.21Å; T164-D168 VanDerWaalsContact O-N 3.08Å; L165-D168 PolarHBondContact O-N 3.26Å; D168-K170 VanDerWaalsContact C-N 3.35Å; D168-K170 PolarHBondContact O-N 2.91Å; D168-A171 PolarHBondContact O-N 2.88Å; D168-K172 WeakPolarHBondContact O-CB 3.32Å; D168-K172 PolarHBondContact O-N 3.32Å
169I96.9Very high92.5Very high4 Ų456 Ų562%0.02129%0.288CS..Hα-helixtrans-59.6-48.1175.4-64.8165.8000110.1F9 L11 M82 E115 L165 A166 K172 M173F9-I169 HydrophobicContact CD1-CG2 3.83Å; F9-I169 HydrophobicContact CD2-CB 4.16Å; F9-I169 HydrophobicContact CD2-CD1 4.36Å; F9-I169 HydrophobicContact CD2-CG2 3.92Å; F9-I169 HydrophobicContact CE1-CG2 3.84Å; F9-I169 HydrophobicContact CE2-CB 4.05Å; F9-I169 HydrophobicContact CE2-CG2 3.91Å; F9-I169 HydrophobicContact CG-CG2 3.91Å; F9-I169 HydrophobicContact CZ-CB 4.4Å; F9-I169 HydrophobicContact CZ-CG2 3.88Å; L11-I169 HydrophobicContact CD2-CD1 3.4Å; L11-I169 VanDerWaalsContact CD2-CD1 3.4Å; M82-I169 HydrophobicContact CB-CD1 4.19Å; M82-I169 HydrophobicContact CB-CG2 3.99Å; M82-I169 HydrophobicContact CE-CG2 3.53Å; E115-I169 HydrophobicContact CB-CG1 3.83Å; E115-I169 HydrophobicContact CG-CG1 3.83Å; L165-I169 HydrophobicContact CG-CD1 4.12Å; L165-I169 VanDerWaalsContact O-CG1 3.3Å; L165-I169 WeakPolarHBondContact O-CG1 3.44Å; L165-I169 PolarHBondContact O-N 3.29Å; A166-I169 PolarHBondContact O-N 3.14Å; I169-K172 PolarHBondContact O-N 3.38Å; I169-M173 HydrophobicContact CG2-SD 4.46Å; I169-M173 WeakPolarHBondContact O-CG 3.08Å; I169-M173 PolarHBondContact O-N 3.12Å
170K95.6Very high90.7Very high23 Ų2359.8 Ų59.810%0.131%0.311CS..Hα-helixtrans-58.8-50.7178.4-175.4-174.9173.3-67.90111.2F9 L52 I57 A166 R167 D168 K172 M173 D174F9-K170 HydrophobicContact CE2-CB 4.18Å; F9-K170 HydrophobicContact CZ-CB 3.89Å; L52-K170 HydrophobicContact CD2-CD 3.59Å; I57-K170 HydrophobicContact CD1-CD 4.23Å; A166-K170 WeakPolarHBondContact O-CB 3.43Å; A166-K170 PolarHBondContact O-N 2.96Å; R167-K170 PolarHBondContact O-N 3.32Å; D168-K170 VanDerWaalsContact C-N 3.35Å; D168-K170 PolarHBondContact O-N 2.91Å; K170-K172 PolarHBondContact O-N 2.77Å; K170-M173 WeakPolarHBondContact O-CB 3.45Å; K170-M173 PolarHBondContact O-N 3.25Å; K170-M173 VanDerWaalsContact O-N 3.08Å; K170-D174 IonicContact NZ-OD2 2.71Å; K170-D174 PolarHBondContact NZ-OD2 3.19Å; K170-D174 VanDerWaalsContact O-CG 3.31Å; K170-D174 PolarHBondContact O-N 3.27Å
171A94.4Very high88.3Confident44 Ų4459.4 Ų59.436%0.36432%0.315SS..Hα-helixtrans-58.6-37.8-179.900000112.1R167 D168 K175R167-A171 WeakPolarHBondContact O-CB 3.19Å; R167-A171 PolarHBondContact O-N 2.62Å; D168-A171 PolarHBondContact O-N 2.88Å; A171-K175 WeakPolarHBondContact O-CG 3.43Å; A171-K175 PolarHBondContact O-N 3.14Å; A171-K175 VanDerWaalsContact O-N 3.15Å
172K93.1Very high86Confident63 Ų6365.1 Ų65.127%0.27435%0.352SS..Hα-helixtrans-69.4-39.4175.6-170.3166.2-169.11730112.8D113 E115 D168 I169 K170 K176D113-K172 VanDerWaalsContact C-NZ 3.27Å; D113-K172 VanDerWaalsContact O-CE 3.26Å; D113-K172 WeakPolarHBondContact O-CE 3.48Å; D113-K172 PolarHBondContact O-NZ 3Å; E115-K172 HydrophobicContact CG-CD 4.32Å; E115-K172 WeakPolarHBondContact OE1-CD 3.23Å; E115-K172 WeakPolarHBondContact OE1-CE 3.49Å; E115-K172 IonicContact OE1-NZ 2.68Å; E115-K172 PolarHBondContact OE1-NZ 3.33Å; D168-K172 WeakPolarHBondContact O-CB 3.32Å; D168-K172 PolarHBondContact O-N 3.32Å; I169-K172 PolarHBondContact O-N 3.38Å; K170-K172 PolarHBondContact O-N 2.77Å; K172-K176 WeakPolarHBondContact O-CG 3.41Å; K172-K176 PolarHBondContact O-N 3.4Å
173M90.8Very high83.7Confident63 Ų6373.9 Ų73.931%0.3139%0.393SS..Hα-helixtrans-64.5-45174.5-73.1-169.577.600111.9Y7 F9 M82 I169 K170 K175 K176 L177Y7-M173 HydrophobicContact CD1-CE 4.47Å; Y7-M173 HydrophobicContact CD1-SD 4.28Å; F9-M173 HydrophobicContact CD1-SD 4.22Å; F9-M173 HydrophobicContact CE1-SD 3.49Å; F9-M173 WeakPolarHBondContact CE1-SD 3.34Å; F9-M173 HydrophobicContact CZ-SD 4.29Å; M82-M173 HydrophobicContact CE-CE 4.12Å; M82-M173 HydrophobicContact CE-CG 4.01Å; M82-M173 HydrophobicContact CE-SD 3.22Å; M82-M173 WeakPolarHBondContact CE-SD 3.41Å; I169-M173 HydrophobicContact CG2-SD 4.46Å; I169-M173 WeakPolarHBondContact O-CG 3.08Å; I169-M173 PolarHBondContact O-N 3.12Å; K170-M173 WeakPolarHBondContact O-CB 3.45Å; K170-M173 PolarHBondContact O-N 3.25Å; K170-M173 VanDerWaalsContact O-N 3.08Å; M173-K175 VanDerWaalsContact C-N 3.34Å; M173-K175 PolarHBondContact O-N 3.07Å; M173-K176 WeakPolarHBondContact O-CB 3.45Å; M173-K176 PolarHBondContact O-N 3.03Å; M173-K176 VanDerWaalsContact O-N 3.12Å; M173-L177 WeakPolarHBondContact O-CG 3.46Å; M173-L177 PolarHBondContact O-N 3.3Å
174D90.4Very high81.3Confident36 Ų3675.8 Ų75.819%0.19342%0.421CS..Hα-helixtrans-60.8-44.9-179.9-67-18.6000110.4Y7 K170 K176 L177 E178Y7-D174 PolarHBondContact OH-OD1 3.46Å; K170-D174 IonicContact NZ-OD2 2.71Å; K170-D174 PolarHBondContact NZ-OD2 3.19Å; K170-D174 VanDerWaalsContact O-CG 3.31Å; K170-D174 PolarHBondContact O-N 3.27Å; D174-K176 VanDerWaalsContact C-N 3.32Å; D174-K176 PolarHBondContact O-N 3.42Å; D174-L177 PolarHBondContact O-N 3.11Å; D174-L177 VanDerWaalsContact O-N 3.11Å; D174-E178 WeakPolarHBondContact O-CG 3.44Å; D174-E178 PolarHBondContact O-N 3.36Å
175K90.6Very high78.7Confident153 Ų15379 Ų7967%0.66545%0.445SS*.Hα-helixtrans-58.4-38.8173.5-75.2178.4-179.9-178.10113.6A171 M173 L177 G179A171-K175 WeakPolarHBondContact O-CG 3.43Å; A171-K175 PolarHBondContact O-N 3.14Å; A171-K175 VanDerWaalsContact O-N 3.15Å; M173-K175 VanDerWaalsContact C-N 3.34Å; M173-K175 PolarHBondContact O-N 3.07Å; K175-L177 VanDerWaalsContact C-N 3.35Å; K175-G179 PolarHBondContact O-N 3.07Å
176K86.2Confident76.2Confident109 Ų10984.5 Ų84.547%0.47448%0.483SS..Hα-helixtrans-68.5-34.7177.1-76.3-174.7-180-169.20112.3D113 K172 M173 D174 N180D113-K176 IonicContact OD2-NZ 3.45Å; D113-K176 PolarHBondContact OD2-NZ 3.41Å; K172-K176 WeakPolarHBondContact O-CG 3.41Å; K172-K176 PolarHBondContact O-N 3.4Å; M173-K176 WeakPolarHBondContact O-CB 3.45Å; M173-K176 PolarHBondContact O-N 3.03Å; M173-K176 VanDerWaalsContact O-N 3.12Å; D174-K176 VanDerWaalsContact C-N 3.32Å; D174-K176 PolarHBondContact O-N 3.42Å; K176-N180 PolarHBondContact O-N 3.17Å
177L82.1Confident73.5Confident112 Ų11293 Ų9359%0.58652%0.523SS*.Hα-helixtrans-69.5-40.8176.7-69.1169.1000111.2M173 D174 K175 N180M173-L177 WeakPolarHBondContact O-CG 3.46Å; M173-L177 PolarHBondContact O-N 3.3Å; D174-L177 PolarHBondContact O-N 3.11Å; D174-L177 VanDerWaalsContact O-N 3.11Å; K175-L177 VanDerWaalsContact C-N 3.35Å; L177-N180 PolarHBondContact O-N 3.28Å
178E80.3Confident70.7Confident144 Ų14491.2 Ų91.267%0.67354%0.538SS*.Hα-helixtrans-65-42.7175.7-69.6173.8178.700112D174 N180 S181D174-E178 WeakPolarHBondContact O-CG 3.44Å; D174-E178 PolarHBondContact O-N 3.36Å; E178-N180 VanDerWaalsContact C-N 3.29Å; E178-N180 PolarHBondContact O-N 2.74Å; E178-S181 PolarHBondContact O-N 3.06Å
179G65.8Low68.1Low65 Ų6595.5 Ų95.567%0.6757%0.565SS**Hα-helixtrans-70.5-16.2179.600000115.8K175K175-G179 PolarHBondContact O-N 3.07Å
180N58.8Low65.3Low147 Ų147104.5 Ų104.579%0.78660%0.604SS**THydrogen-bonded Turntrans-98.24.8178.1-105.615000113.8K176 L177 E178 P182K176-N180 PolarHBondContact O-N 3.17Å; L177-N180 PolarHBondContact O-N 3.28Å; E178-N180 VanDerWaalsContact C-N 3.29Å; E178-N180 PolarHBondContact O-N 2.74Å; N180-P182 WeakPolarHBondContact O-CD 3.41Å
181S47.5Very low62.7Low79 Ų79110.6 Ų110.655%0.55264%0.636SS**SBendtrans-70.4120.2169.3-62.50000108.1E178 Q183E178-S181 PolarHBondContact O-N 3.06Å; S181-Q183 PolarHBondContact O-N 3.02Å
182P50.6Low60.1Low121 Ų121114.4 Ų114.479%0.78666%0.655SS**  trans-60.4117.4174.526.2-32.4000106.9N180 G184N180-P182 WeakPolarHBondContact O-CD 3.41Å; P182-G184 PolarHBondContact O-N 3.36Å
183Q49.3Very low57.5Low184 Ų184119.9 Ų119.986%0.8668%0.681SS**  trans-58.396.9165.2-80.1-178.5-11.100107S181 S185S181-Q183 PolarHBondContact O-N 3.02Å; Q183-S185 PolarHBondContact O-N 2.85Å
184G47.8Very low55Low74 Ų74125.6 Ų125.676%0.76371%0.707SS**  trans-67.873.7164.400000108.9P182 S186P182-G184 PolarHBondContact O-N 3.36Å; G184-S186 VanDerWaalsContact C-N 3.26Å; G184-S186 PolarHBondContact O-N 2.93Å; G184-S186 VanDerWaalsContact O-N 3.09Å
185S42.8Very low52.5Low98 Ų98129.7 Ų129.769%0.68574%0.736SS**  trans-78.688161.160.30000107.7Q183 Q187Q183-S185 PolarHBondContact O-N 2.85Å; S185-Q187 VanDerWaalsContact C-N 3.3Å; S185-Q187 PolarHBondContact O-N 2.97Å
186S45.3Very low49.9Very low115 Ų115132.3 Ų132.380%0.80475%0.747SS**  trans-45.693.8152.957.20000110.4G184 G188G184-S186 VanDerWaalsContact C-N 3.26Å; G184-S186 PolarHBondContact O-N 2.93Å; G184-S186 VanDerWaalsContact O-N 3.09Å; S186-G188 VanDerWaalsContact C-N 3.31Å; S186-G188 PolarHBondContact O-N 3.16Å
187Q41.4Very low47.6Very low180 Ų180137.1 Ų137.184%0.84177%0.768SS**  trans-75.695.8153.6-85.8-170.7-11.200106.5S185 V189S185-Q187 VanDerWaalsContact C-N 3.3Å; S185-Q187 PolarHBondContact O-N 2.97Å; Q187-V189 PolarHBondContact O-N 3.23Å
188G38.5Very low45.3Very low69 Ų69137.1 Ų137.171%0.71178%0.778SS**  trans-58.1100.816400000108.9S186 K190S186-G188 VanDerWaalsContact C-N 3.31Å; S186-G188 PolarHBondContact O-N 3.16Å; G188-K190 PolarHBondContact O-N 2.93Å
189V41.4Very low43.1Very low122 Ų122134.8 Ų134.874%0.73978%0.777SS**  trans-64.5102162.5177.50000106Q187 I191Q187-V189 PolarHBondContact O-N 3.23Å; V189-I191 VanDerWaalsContact C-N 3.31Å; V189-I191 PolarHBondContact O-N 3.08Å
190K38.3Very low41.7Very low194 Ų194139.6 Ų139.684%0.84378%0.78SS**  trans-62.396.8165-85.8-178173.9179.10107.6G188 T192G188-K190 PolarHBondContact O-N 2.93Å; K190-T192 VanDerWaalsContact C-N 3.35Å; K190-T192 PolarHBondContact O-N 3.33Å
191I41.5Very low40.5Very low150 Ų150140.7 Ų140.777%0.76978%0.778SS**  trans-63.9102.9162.7-59.9174.4000105.5V189 E193V189-I191 VanDerWaalsContact C-N 3.31Å; V189-I191 PolarHBondContact O-N 3.08Å; I191-E193 PolarHBondContact O-N 3Å
192T39.3Very low39.9Very low124 Ų124148 Ų14876%0.76179%0.794SS**  trans-82.5109.1171.8-46.50000105.9K190 Q194K190-T192 VanDerWaalsContact C-N 3.35Å; K190-T192 PolarHBondContact O-N 3.33Å; T192-Q194 PolarHBondContact O-N 3.35Å
193E38.9Very low39.2Very low178 Ų178148.3 Ų148.383%0.83280%0.797SS**PPolyproline II helixtrans-54.5124.3173.5-70.9178.9139.100110.1I191I191-E193 PolarHBondContact O-N 3Å
194Q37.8Very low38.5Very low184 Ų184143.5 Ų143.586%0.8679%0.788SS**PPolyproline II helixtrans-90.1133.8162-76.4-164-3.600109.5T192T192-Q194 PolarHBondContact O-N 3.35Å
195P39.1Very low38.1Very low122 Ų122147.8 Ų147.879%0.79279%0.793SS**PPolyproline II helixtrans-76.2137.4-17830.6-31.7000110.9K197P195-K197 PolarHBondContact O-N 3.16Å
196K35.8Very low38Very low208 Ų208154.7 Ų154.790%0.90482%0.821SS**PPolyproline II helixtrans-52.2127.7167.6-75.3175.2174.41740110.5
197K37.5Very low37.6Very low209 Ų209156.7 Ų156.791%0.90982%0.822SS**  trans-123.7129.6150.7-84.8-169.4178.3-179.30110.4P195P195-K197 PolarHBondContact O-N 3.16Å
198S33.6Very low37.4Very low113 Ų113155.5 Ų155.579%0.7982%0.821SS**  trans-81.3138.7-177.156.90000112
199S34.8Very low37.3Very low94 Ų94160.3 Ų160.366%0.65783%0.827SS**  97.3142.9128.2-142.20000122.1
200F35.2Very low37.1Very low167 Ų167162.5 Ų162.573%0.73283%0.832SS**  trans96.3102.9150.6-78.5-83.8000121.2
201F33.7Very low37Very low170 Ų170160.6 Ų160.675%0.74683%0.832SS**  trans56.5140.5136.3-75.2-118.2000118
202R35.7Very low36.7Very low233 Ų233161.3 Ų161.388%0.87984%0.836SS**  cis-169.8148.143.8-140.6166.9-165.5-171.52.3110.1
203C34.7Very low36.5Very low126 Ų126163.9 Ų163.985%0.85184%0.841SS**  trans-83.3138.7166-176.90000110.2
204A36.3Very low36.3Very low83 Ų83162.8 Ų162.869%0.68684%0.842SS**  trans171.7123.414100000113.2
205L38Very low36.2Very low165 Ų165161.1 Ų161.186%0.86484%0.84SS**  trans46117.6133.9-72.7146.1000120.6
206L40.2Very low35.9Very low243 Ų243164.6 Ų164.6100%1.27285%0.845SS**  -155.40105.6-100.5159.5000109.6

Retrieved 206 of 206 residues in 1277.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).