A0A060WUA6_ONCMY Loading...

Ras-related protein Rab-39B

AlphaFold DB , UniProt , Accession A0A060WUA6, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110500311, Length 213 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M51.5Low85.2Confident207 Ų20764.3 Ų64.3100%1.0231%0.311SS*.  0120.70-81.1179.3-85.600107
2E61.4Low86.1Confident181 Ų18158.9 Ų58.985%0.84629%0.285SS*.  trans-88.7136.6-173.8-68.4-179.6171.400110.4
3A67.9Low87Confident31 Ų3154.4 Ų54.426%0.25626%0.263SS..  trans-60.8140.1173.200000109.7W5 V194A3-W5 VanDerWaalsContact CB-O 3.23Å; A3-W5 WeakPolarHBondContact CB-O 3.29Å; A3-W5 PolarHBondContact O-N 2.8Å; A3-V194 HydrophobicContact CB-CG2 4.08Å
4I85.7Confident87.7Confident68 Ų6850.5 Ų50.535%0.34925%0.245SC..SBendtrans-60.7-32179.7-56.9174.5000110.4R57 F193 P195I4-R57 PolarHBondContact O-NE 3.3Å; I4-F193 HydrophobicContact CD1-CD1 4.49Å; I4-F193 PolarHBondContact N-O 3.39Å; I4-P195 HydrophobicContact CD1-CG 3.91Å; I4-P195 HydrophobicContact CG1-CG 4.27Å
5W91.7Very high88.4Confident37 Ų3747.1 Ų47.114%0.1423%0.228CC..  trans-143.6153.5169.455.884.6000109.2A3 L49 R57 K59 G192 F193A3-W5 VanDerWaalsContact CB-O 3.23Å; A3-W5 WeakPolarHBondContact CB-O 3.29Å; A3-W5 PolarHBondContact O-N 2.8Å; W5-L49 HydrophobicContact CB-CD2 3.84Å; W5-L49 HydrophobicContact CD2-CD2 4.17Å; W5-L49 HydrophobicContact CE3-CD1 4.47Å; W5-L49 HydrophobicContact CE3-CD2 3.83Å; W5-L49 HydrophobicContact CG-CD2 4.2Å; W5-R57 CarbonylContact C-O 3.5Å; W5-R57 VanDerWaalsContact CA-O 3.25Å; W5-R57 WeakPolarHBondContact CA-O 3.08Å; W5-R57 HydrophobicContact CB-CB 4.29Å; W5-R57 WeakPolarHBondContact CB-O 3.36Å; W5-K59 HydrophobicContact CB-CB 4.45Å; W5-K59 HydrophobicContact CD2-CB 3.99Å; W5-K59 HydrophobicContact CD2-CD 4.2Å; W5-K59 HydrophobicContact CE3-CD 4.45Å; W5-K59 HydrophobicContact CG-CB 3.88Å; W5-K59 HydrophobicContact CH2-CD 4.13Å; W5-K59 HydrophobicContact CZ2-CD 3.82Å; W5-K59 HydrophobicContact CZ3-CD 4.43Å; W5-G192 WeakPolarHBondContact O-CA 3.44Å; W5-F193 HydrophobicContact CH2-CB 3.89Å; W5-F193 HydrophobicContact CZ2-CB 3.42Å; W5-F193 VanDerWaalsContact CZ2-CB 3.42Å; W5-F193 HydrophobicContact CZ2-CG 4.43Å
6L93.1Very high88.8Confident66 Ų6645.5 Ų45.535%0.34622%0.221SC..SBendtrans-77.2-41.2-179.2-63.5176.9000112.6K56 R57 I58 F172 G192L6-K56 HydrophobicContact CD1-CB 3.82Å; L6-K56 HydrophobicContact CD1-CD 4.14Å; L6-K56 HydrophobicContact CD1-CG 3.86Å; L6-R57 PolarHBondContact N-O 2.9Å; L6-I58 HydrophobicContact CB-CD1 4.07Å; L6-F172 HydrophobicContact CD1-CE2 4.13Å; L6-F172 HydrophobicContact CD1-CZ 4.34Å; L6-G192 VanDerWaalsContact O-CA 3.3Å; L6-G192 WeakPolarHBondContact O-CA 3.08Å; L6-G192 PolarHBondContact O-N 3.16Å
7Y95.6Very high89.1Confident57 Ų5744.9 Ų44.922%0.22422%0.223CC..EExtended strand (participates in β ladder)trans-142.5158.8179.1-61.8-79.2000110.9F9 I58 K59 F172 V175 I182 V189 K190Y7-F9 VanDerWaalsContact CB-CE1 3.46Å; Y7-F9 HydrophobicContact CD2-CZ 4.48Å; Y7-F9 HydrophobicContact CG-CE1 4.01Å; Y7-F9 HydrophobicContact CG-CZ 4.41Å; Y7-I58 HydrophobicContact CD2-CD1 3.99Å; Y7-I58 WeakPolarHBondContact O-CA 3.05Å; Y7-K59 PolarHBondContact O-N 3.12Å; Y7-F172 AromaticContact CD2-CD2 3.97Å; Y7-F172 HydrophobicContact CD2-CD2 3.97Å; Y7-F172 HydrophobicContact CD2-CE2 4.01Å; Y7-F172 HydrophobicContact CE2-CD2 4.08Å; Y7-F172 AromaticContact CE2-CE2 3.84Å; Y7-F172 HydrophobicContact CE2-CE2 3.84Å; Y7-V175 HydrophobicContact CD1-CG1 4.33Å; Y7-V175 HydrophobicContact CE1-CG1 3.76Å; Y7-V175 HydrophobicContact CE2-CG1 4.01Å; Y7-I182 HydrophobicContact CE1-CD1 4.28Å; Y7-V189 HydrophobicContact CD1-CG1 3.99Å; Y7-K190 CarbonylContact C-O 3.56Å; Y7-K190 VanDerWaalsContact CA-O 3.27Å; Y7-K190 WeakPolarHBondContact CA-O 3.33Å
8Q97Very high89.4Confident20 Ų2048.2 Ų48.29%0.09325%0.246CC..EExtended strand (participates in β ladder)trans-112.3127.3164.1-177.9-174.6-87.400108.9K59 Q61 V189 K190Q8-K59 CarbonylContact C-O 3.52Å; Q8-K59 WeakPolarHBondContact CA-O 3.23Å; Q8-K59 HydrophobicContact CB-CB 4.2Å; Q8-K59 HydrophobicContact CG-CB 4.13Å; Q8-K59 HydrophobicContact CG-CD 4.23Å; Q8-K59 HydrophobicContact CG-CG 4.19Å; Q8-Q61 HydrophobicContact CG-CG 3.99Å; Q8-Q61 VanDerWaalsContact NE2-CD 3.28Å; Q8-V189 WeakPolarHBondContact O-CA 3.23Å; Q8-K190 HydrophobicContact CB-CB 4.26Å; Q8-K190 PolarHBondContact N-O 2.66Å; Q8-K190 PolarHBondContact O-N 3.08Å
9F97.8Very high89.8Confident0 Ų045.7 Ų45.70%023%0.233CC..EExtended strand (participates in β ladder)trans-111.7135.8177.1-61.8-21.8000110.8Y7 L11 I58 K59 L60 Q61 V83 T168 I171 F172 V175 G188 V189Y7-F9 VanDerWaalsContact CB-CE1 3.46Å; Y7-F9 HydrophobicContact CD2-CZ 4.48Å; Y7-F9 HydrophobicContact CG-CE1 4.01Å; Y7-F9 HydrophobicContact CG-CZ 4.41Å; F9-L11 HydrophobicContact CB-CD2 4.45Å; F9-I58 HydrophobicContact CD1-CG2 4.49Å; F9-I58 HydrophobicContact CD2-CG2 3.57Å; F9-I58 HydrophobicContact CE2-CG2 3.71Å; F9-I58 HydrophobicContact CG-CG2 3.97Å; F9-I58 HydrophobicContact CZ-CD1 4.48Å; F9-I58 HydrophobicContact CZ-CG2 4.23Å; F9-K59 PolarHBondContact N-O 2.91Å; F9-L60 HydrophobicContact CB-CD2 4.1Å; F9-L60 HydrophobicContact CD2-CD2 4.3Å; F9-Q61 PolarHBondContact O-N 3.3Å; F9-V83 HydrophobicContact CB-CG1 3.82Å; F9-V83 HydrophobicContact CD1-CG1 4.37Å; F9-V83 HydrophobicContact CG-CG1 4.18Å; F9-T168 HydrophobicContact CD2-CG2 3.99Å; F9-T168 HydrophobicContact CE2-CG2 3.95Å; F9-I171 HydrophobicContact CD1-CG2 4.13Å; F9-I171 HydrophobicContact CD2-CB 4.09Å; F9-I171 HydrophobicContact CD2-CD1 4.42Å; F9-I171 HydrophobicContact CD2-CG2 3.77Å; F9-I171 HydrophobicContact CE1-CG2 3.97Å; F9-I171 HydrophobicContact CE2-CB 3.85Å; F9-I171 HydrophobicContact CE2-CG2 3.59Å; F9-I171 HydrophobicContact CG-CG2 4.06Å; F9-I171 HydrophobicContact CZ-CB 4.36Å; F9-I171 HydrophobicContact CZ-CG2 3.71Å; F9-F172 HydrophobicContact CE2-CB 4.26Å; F9-F172 HydrophobicContact CZ-CB 4.27Å; F9-V175 HydrophobicContact CE1-CG2 4.23Å; F9-V175 HydrophobicContact CZ-CG2 4.39Å; F9-G188 WeakPolarHBondContact CA-O 3.49Å; F9-V189 HydrophobicContact CD1-CB 4.46Å; F9-V189 HydrophobicContact CD1-CG1 4.07Å; F9-V189 HydrophobicContact CD1-CG2 4.05Å; F9-V189 HydrophobicContact CE1-CG1 3.84Å; F9-V189 HydrophobicContact CE1-CG2 4.2Å
10R97.2Very high90.2Very high40 Ų4044 Ų4415%0.15123%0.227CC..EExtended strand (participates in β ladder)trans-92.6119.4167.6-77.1-170.417517312.8110.8Q61 N81 V83 G84 E187 G188R10-Q61 CarbonylContact C-O 3.52Å; R10-Q61 WeakPolarHBondContact CA-O 3.47Å; R10-Q61 HydrophobicContact CG-CB 3.93Å; R10-N81 WeakPolarHBondContact CB-O 3.39Å; R10-N81 VanDerWaalsContact CD-O 3.27Å; R10-N81 WeakPolarHBondContact CD-O 3.37Å; R10-V83 WeakPolarHBondContact O-CG1 3.32Å; R10-V83 PolarHBondContact O-N 3.25Å; R10-G84 PolarHBondContact O-N 3.05Å; R10-E187 VanDerWaalsContact CD-O 3.24Å; R10-E187 WeakPolarHBondContact CD-O 3.27Å; R10-E187 WeakPolarHBondContact CG-O 3.34Å; R10-E187 IonicContact CZ-OE2 3.91Å; R10-E187 VanDerWaalsContact CZ-OE2 3.3Å; R10-E187 IonicContact NH1-OE2 3.68Å; R10-E187 IonicContact NH2-OE2 2.69Å; R10-E187 PolarHBondContact NH2-OE2 3.38Å; R10-G188 PolarHBondContact N-O 3.2Å
11L98.1Very high90.5Very high0 Ų042.4 Ų42.40%022%0.218CC..EExtended strand (participates in β ladder)trans-109.5144.3176.6-53.9-174.1000110.1F9 L60 Q61 I62 W63 G84 F164 L167 I171F9-L11 HydrophobicContact CB-CD2 4.45Å; L11-L60 HydrophobicContact CD1-CB 4.42Å; L11-L60 HydrophobicContact CD1-CD1 4Å; L11-L60 HydrophobicContact CD1-CD2 4.03Å; L11-L60 HydrophobicContact CD1-CG 4.37Å; L11-L60 HydrophobicContact CG-CD2 4.44Å; L11-Q61 PolarHBondContact N-O 2.95Å; L11-I62 HydrophobicContact CB-CG1 4.44Å; L11-I62 HydrophobicContact CD1-CG1 4.49Å; L11-I62 WeakPolarHBondContact O-CA 3.13Å; L11-W63 PolarHBondContact O-N 3.27Å; L11-G84 VanDerWaalsContact CA-O 3.27Å; L11-G84 WeakPolarHBondContact CA-O 3.45Å; L11-F164 HydrophobicContact CD1-CD1 4.2Å; L11-L167 HydrophobicContact CD1-CD2 4.28Å; L11-L167 HydrophobicContact CD2-CD2 4.13Å; L11-I171 HydrophobicContact CD2-CD1 3.73Å
12I96.7Very high92.6Very high0 Ų033 Ų330%017%0.174CC..EExtended strand (participates in β ladder)trans-117.6139.7170.4-165.2174.5000110.1I14 W63 T65 T75 Y79 S82 G84 G85 L86 I116I12-I14 HydrophobicContact CD1-CG2 3.9Å; I12-I14 HydrophobicContact CG1-CG2 3.87Å; I12-W63 HydrophobicContact CG1-CB 4.37Å; I12-T65 HydrophobicContact CD1-CG2 3.78Å; I12-T65 HydrophobicContact CG1-CG2 3.52Å; I12-T75 HydrophobicContact CD1-CG2 4.39Å; I12-Y79 HydrophobicContact CD1-CD1 3.67Å; I12-Y79 HydrophobicContact CD1-CE1 3.82Å; I12-S82 WeakPolarHBondContact CB-OG 3.23Å; I12-G84 PolarHBondContact N-O 3.15Å; I12-G85 CarbonylContact O-C 3.46Å; I12-G85 WeakPolarHBondContact O-CA 3.2Å; I12-L86 PolarHBondContact O-N 3.25Å; I12-I116 HydrophobicContact CG2-CD1 4.42Å
13V97.8Very high94.3Very high0 Ų025.4 Ų25.40%014%0.14CC..EExtended strand (participates in β ladder)trans-110.7120.4173.8-171.90000108.1K21 I25 I62 W63 T65 L86 L88V13-K21 HydrophobicContact CG1-CB 3.79Å; V13-K21 HydrophobicContact CG1-CD 4.05Å; V13-K21 HydrophobicContact CG1-CG 3.89Å; V13-I25 HydrophobicContact CB-CD1 3.83Å; V13-I25 HydrophobicContact CB-CG1 4.45Å; V13-I25 HydrophobicContact CG1-CD1 4.27Å; V13-I25 HydrophobicContact CG2-CD1 3.57Å; V13-I25 HydrophobicContact CG2-CG1 3.83Å; V13-I62 HydrophobicContact CG2-CG2 3.83Å; V13-W63 PolarHBondContact N-O 3.42Å; V13-T65 WeakPolarHBondContact O-CB 3.1Å; V13-T65 WeakPolarHBondContact O-CG2 3.42Å; V13-T65 PolarHBondContact O-OG1 3.19Å; V13-L86 WeakPolarHBondContact CA-O 3.39Å; V13-L86 HydrophobicContact CG1-CB 4.35Å; V13-L86 HydrophobicContact CG2-CB 4.45Å; V13-L86 HydrophobicContact CG2-CD1 4.03Å; V13-L88 HydrophobicContact CG1-CD1 3.67Å; V13-L88 HydrophobicContact CG1-CD2 4.15Å
14I97.1Very high95.7Very high0 Ų023.9 Ų23.90%013%0.128CC..EExtended strand (participates in β ladder)trans-130.4166.5-175.660.1169.5000111.6I12 K21 T65 T75 Y79 L86 L87 L88 W103 A107 F118I12-I14 HydrophobicContact CD1-CG2 3.9Å; I12-I14 HydrophobicContact CG1-CG2 3.87Å; I14-K21 VanDerWaalsContact C-CD 3.49Å; I14-T65 HydrophobicContact CG2-CG2 4.26Å; I14-T75 HydrophobicContact CG2-CG2 4.12Å; I14-Y79 HydrophobicContact CD1-CE1 4.23Å; I14-Y79 HydrophobicContact CG2-CE1 3.9Å; I14-L86 PolarHBondContact N-O 2.85Å; I14-L87 HydrophobicContact CD1-CD1 4.04Å; I14-L87 HydrophobicContact CG1-CB 4.44Å; I14-L87 HydrophobicContact CG1-CD1 3.84Å; I14-L88 PolarHBondContact O-N 3.47Å; I14-W103 HydrophobicContact CB-CE3 4.11Å; I14-W103 HydrophobicContact CB-CZ3 4.4Å; I14-W103 HydrophobicContact CD1-CB 4.39Å; I14-W103 HydrophobicContact CD1-CE3 4.4Å; I14-A107 HydrophobicContact CD1-CB 4.27Å; I14-F118 HydrophobicContact CD1-CE1 3.64Å; I14-F118 HydrophobicContact CD1-CZ 3.83Å; I14-F118 HydrophobicContact CG1-CE1 4.06Å
15G97.1Very high96.3Very high0 Ų020.7 Ų20.70%011%0.111CC..EExtended strand (participates in β ladder)trans134.7171.5-172.400000111K21 G67 L88 W103G15-K21 PolarHBondContact O-NZ 2.86Å; G15-G67 WeakPolarHBondContact O-CA 3.42Å; G15-L88 WeakPolarHBondContact CA-O 3.43Å; G15-W103 VanDerWaalsContact C-CE2 3.49Å; G15-W103 VanDerWaalsContact O-CZ2 3.31Å; G15-W103 WeakPolarHBondContact O-CZ2 3.33Å
16D96Very high96.5Very high21 Ų2123 Ų2311%0.11212%0.12CC..  trans-58.1163.4-175.8-81.78.2000113.5V19 K21 N99 W103D16-V19 HydrophobicContact CB-CG1 3.72Å; D16-V19 VanDerWaalsContact O-CG2 3.24Å; D16-V19 WeakPolarHBondContact O-CG2 3.23Å; D16-K21 PolarHBondContact O-NZ 2.69Å; D16-N99 PolarHBondContact OD1-ND2 3.45Å; D16-N99 PolarHBondContact OD2-ND2 3.3Å; D16-W103 PolarHBondContact OD1-NE1 2.66Å
17S93.8Very high96.7Very high36 Ų3622.3 Ų22.325%0.25211%0.113SC..THydrogen-bonded Turntrans-57.2152.6167.1-165.40000110V19 G67S17-V19 PolarHBondContact O-N 2.81Å; S17-G67 PolarHBondContact N-O 2.75Å
18T94.4Very high96.8Very high104 Ų10419.8 Ų19.864%0.63810%0.103SC*.THydrogen-bonded Turntrans62.8-1175.678.50000117.6G20 K124T18-G20 PolarHBondContact O-N 2.71Å; T18-K124 WeakPolarHBondContact O-CE 3.38Å; T18-K124 PolarHBondContact O-NZ 3.19Å
19V97Very high96.7Very high0 Ų020.4 Ų20.40%011%0.108CC..SBendtrans-67.8-17.5176.9-55.80000113.9D16 S17 K21 L88 D90 H123 K124D16-V19 HydrophobicContact CB-CG1 3.72Å; D16-V19 VanDerWaalsContact O-CG2 3.24Å; D16-V19 WeakPolarHBondContact O-CG2 3.23Å; S17-V19 PolarHBondContact O-N 2.81Å; V19-K21 HydrophobicContact CG2-CD 4.46Å; V19-K21 HydrophobicContact CG2-CG 3.74Å; V19-L88 HydrophobicContact CG2-CB 3.8Å; V19-D90 HydrophobicContact CB-CB 4.19Å; V19-D90 HydrophobicContact CG1-CB 4.2Å; V19-H123 PolarHBondContact O-CD2 3.42Å; V19-K124 WeakPolarHBondContact O-CE 3.44Å
20G96.6Very high96.5Very high11 Ų1124.2 Ų24.211%0.11313%0.126CC..SBendtrans106.921.6174.400000116.2T18 S22 C23 L24T18-G20 PolarHBondContact O-N 2.71Å; G20-S22 PolarHBondContact O-N 3.15Å; G20-C23 PolarHBondContact O-N 3.09Å; G20-L24 WeakPolarHBondContact O-CB 3.26Å; G20-L24 PolarHBondContact O-N 3.5Å
21K97Very high96.2Very high11 Ų1124.6 Ų24.65%0.04814%0.142CC..Hα-helixtrans-51.6-57.1178.7-57.1-169.7-64.7-75.30113.3V13 I14 G15 D16 V19 C23 L24 I25 D64 T65 G67 L88V13-K21 HydrophobicContact CG1-CB 3.79Å; V13-K21 HydrophobicContact CG1-CD 4.05Å; V13-K21 HydrophobicContact CG1-CG 3.89Å; I14-K21 VanDerWaalsContact C-CD 3.49Å; G15-K21 PolarHBondContact O-NZ 2.86Å; D16-K21 PolarHBondContact O-NZ 2.69Å; V19-K21 HydrophobicContact CG2-CD 4.46Å; V19-K21 HydrophobicContact CG2-CG 3.74Å; K21-C23 VanDerWaalsContact C-N 3.31Å; K21-C23 PolarHBondContact O-N 2.86Å; K21-L24 PolarHBondContact O-N 3.41Å; K21-I25 WeakPolarHBondContact O-CG1 3.3Å; K21-I25 PolarHBondContact O-N 2.9Å; K21-D64 WeakPolarHBondContact CB-OD1 3.41Å; K21-T65 WeakPolarHBondContact CE-O 3.49Å; K21-G67 VanDerWaalsContact NZ-CA 3.26Å; K21-L88 HydrophobicContact CB-CD2 4.32Å; K21-L88 HydrophobicContact CG-CB 4.34Å; K21-L88 HydrophobicContact CG-CD2 3.9Å
22S95.9Very high95.6Very high11 Ų1132.2 Ų32.28%0.07717%0.171CC..Hα-helixtrans-60.5-39.5178.5-41.80000112.3G20 I25 R26 T40 D64G20-S22 PolarHBondContact O-N 3.15Å; S22-I25 PolarHBondContact O-N 3.39Å; S22-R26 WeakPolarHBondContact O-CB 3.41Å; S22-R26 VanDerWaalsContact O-CG 3.29Å; S22-R26 WeakPolarHBondContact O-CG 3.36Å; S22-R26 PolarHBondContact O-N 3.26Å; S22-T40 PolarHBondContact OG-OG1 3.02Å; S22-D64 WeakPolarHBondContact CA-OD2 3.43Å; S22-D64 WeakPolarHBondContact CB-OD2 3.41Å; S22-D64 PolarHBondContact OG-OD1 3.07Å; S22-D64 PolarHBondContact OG-OD2 3.25Å
23C96.7Very high95.1Very high20 Ų2035.9 Ų35.914%0.13519%0.187CC..Hα-helixtrans-65.4-42.3177.7-62.90000111.8G20 K21 R27 F33 A154G20-C23 PolarHBondContact O-N 3.09Å; K21-C23 VanDerWaalsContact C-N 3.31Å; K21-C23 PolarHBondContact O-N 2.86Å; C23-R27 VanDerWaalsContact O-CB 3.28Å; C23-R27 WeakPolarHBondContact O-CB 3.21Å; C23-R27 PolarHBondContact O-N 3.08Å; C23-F33 HydrophobicContact CB-CD2 4.42Å; C23-F33 HydrophobicContact CB-CE2 4.32Å; C23-A154 HydrophobicContact CB-CB 3.88Å
24L97.9Very high94.3Very high0 Ų037.7 Ų37.70%020%0.202CC..Hα-helixtrans-62-47.5176-178.166.4000110.8G20 K21 R27 F28 L86 L88 V121 T152 V160 F164G20-L24 WeakPolarHBondContact O-CB 3.26Å; G20-L24 PolarHBondContact O-N 3.5Å; K21-L24 PolarHBondContact O-N 3.41Å; L24-R27 PolarHBondContact O-N 2.99Å; L24-F28 WeakPolarHBondContact O-CB 3.16Å; L24-F28 PolarHBondContact O-N 3.24Å; L24-L86 HydrophobicContact CD2-CD2 4.24Å; L24-L88 HydrophobicContact CB-CD2 4.33Å; L24-L88 HydrophobicContact CD2-CD1 4.2Å; L24-L88 HydrophobicContact CD2-CD2 3.76Å; L24-L88 HydrophobicContact CD2-CG 4.32Å; L24-V121 HydrophobicContact CD2-CG1 4.39Å; L24-T152 HydrophobicContact CD1-CG2 4.45Å; L24-V160 HydrophobicContact CD1-CB 4.24Å; L24-V160 HydrophobicContact CD1-CG1 3.88Å; L24-V160 HydrophobicContact CD1-CG2 3.83Å; L24-F164 HydrophobicContact CD2-CE2 4.33Å; L24-F164 HydrophobicContact CG-CE2 4.03Å; L24-F164 HydrophobicContact CG-CZ 4.4Å
25I97.3Very high93.2Very high0 Ų046.4 Ų46.40%024%0.243CC..Hα-helixtrans-64.8-48.2-179.6-62.3163.8000110.6V13 K21 S22 R27 F28 T29 F46 I62 D64 F164V13-I25 HydrophobicContact CB-CD1 3.83Å; V13-I25 HydrophobicContact CB-CG1 4.45Å; V13-I25 HydrophobicContact CG1-CD1 4.27Å; V13-I25 HydrophobicContact CG2-CD1 3.57Å; V13-I25 HydrophobicContact CG2-CG1 3.83Å; K21-I25 WeakPolarHBondContact O-CG1 3.3Å; K21-I25 PolarHBondContact O-N 2.9Å; S22-I25 PolarHBondContact O-N 3.39Å; I25-R27 VanDerWaalsContact C-N 3.34Å; I25-R27 PolarHBondContact O-N 3.29Å; I25-F28 CarbonylContact O-C 3.54Å; I25-F28 WeakPolarHBondContact O-CA 3.5Å; I25-F28 WeakPolarHBondContact O-CB 3.47Å; I25-F28 PolarHBondContact O-N 2.81Å; I25-F28 VanDerWaalsContact O-N 3.1Å; I25-T29 HydrophobicContact CG2-CG2 4.18Å; I25-T29 WeakPolarHBondContact O-CG2 3.32Å; I25-T29 PolarHBondContact O-N 2.95Å; I25-T29 PolarHBondContact O-OG1 2.89Å; I25-F46 HydrophobicContact CG2-CB 3.89Å; I25-F46 HydrophobicContact CG2-CD1 4.1Å; I25-F46 HydrophobicContact CG2-CD2 3.45Å; I25-F46 VanDerWaalsContact CG2-CD2 3.45Å; I25-F46 HydrophobicContact CG2-CE2 3.95Å; I25-F46 HydrophobicContact CG2-CG 3.53Å; I25-F46 HydrophobicContact CG2-CZ 4.46Å; I25-I62 HydrophobicContact CD1-CG2 4.01Å; I25-I62 HydrophobicContact CG1-CG2 4.03Å; I25-I62 HydrophobicContact CG2-CG2 4.14Å; I25-D64 HydrophobicContact CD1-CB 3.41Å; I25-D64 VanDerWaalsContact CD1-CB 3.41Å; I25-F164 HydrophobicContact CG1-CZ 4.32Å
26R95.8Very high92.3Very high85 Ų8552.2 Ų52.232%0.32128%0.278SS..Hα-helixtrans-63.8-37.9178.4-71.8-179.8-174.7-173.72.1112.3S22 F28 T29 E30 G31 R32 F46S22-R26 WeakPolarHBondContact O-CB 3.41Å; S22-R26 VanDerWaalsContact O-CG 3.29Å; S22-R26 WeakPolarHBondContact O-CG 3.36Å; S22-R26 PolarHBondContact O-N 3.26Å; R26-F28 VanDerWaalsContact C-N 3.28Å; R26-F28 PolarHBondContact O-N 3.38Å; R26-T29 PolarHBondContact O-N 3.03Å; R26-E30 WeakPolarHBondContact O-CA 3.49Å; R26-E30 VanDerWaalsContact O-CB 3.3Å; R26-E30 WeakPolarHBondContact O-CB 3.37Å; R26-E30 PolarHBondContact O-N 2.79Å; R26-G31 PolarHBondContact O-N 2.87Å; R26-R32 CarbonylContact C-O 3.47Å; R26-F46 HydrophobicContact CG-CE1 4.03Å; R26-F46 HydrophobicContact CG-CZ 4.12Å
27R97.3Very high91.4Very high53 Ų5353.3 Ų53.320%0.229%0.287CS..Hα-helixtrans-62.3-41.1173.2177.46083.3-17414.9110.8C23 L24 I25 G31 R32 F33 A154 R155 V160C23-R27 VanDerWaalsContact O-CB 3.28Å; C23-R27 WeakPolarHBondContact O-CB 3.21Å; C23-R27 PolarHBondContact O-N 3.08Å; L24-R27 PolarHBondContact O-N 2.99Å; I25-R27 VanDerWaalsContact C-N 3.34Å; I25-R27 PolarHBondContact O-N 3.29Å; R27-G31 PolarHBondContact NH1-O 3.08Å; R27-G31 WeakPolarHBondContact O-CA 3.3Å; R27-G31 PolarHBondContact O-N 3.43Å; R27-G31 VanDerWaalsContact O-N 3.1Å; R27-R32 WeakPolarHBondContact CA-O 3.17Å; R27-R32 PolarHBondContact N-O 3.43Å; R27-F33 VanDerWaalsContact CZ-CB 3.48Å; R27-A154 HydrophobicContact CB-CB 4.14Å; R27-A154 PolarHBondContact NE-O 3.48Å; R27-A154 PolarHBondContact NH2-O 2.79Å; R27-R155 PolarHBondContact NH2-O 2.63Å; R27-V160 HydrophobicContact CB-CG1 4.34Å; R27-V160 HydrophobicContact CG-CB 4.36Å; R27-V160 HydrophobicContact CG-CG1 4.05Å; R27-V160 HydrophobicContact CG-CG2 3.99Å
28F97.8Very high90.9Very high3 Ų358 Ų581%0.01331%0.309CS..Hα-helixtrans-67.6-47.3175.9177.3-111.3000112.3L24 I25 R26 R48 V50 L60 I62 V160 E161 F164L24-F28 WeakPolarHBondContact O-CB 3.16Å; L24-F28 PolarHBondContact O-N 3.24Å; I25-F28 CarbonylContact O-C 3.54Å; I25-F28 WeakPolarHBondContact O-CA 3.5Å; I25-F28 WeakPolarHBondContact O-CB 3.47Å; I25-F28 PolarHBondContact O-N 2.81Å; I25-F28 VanDerWaalsContact O-N 3.1Å; R26-F28 VanDerWaalsContact C-N 3.28Å; R26-F28 PolarHBondContact O-N 3.38Å; F28-R48 HydrophobicContact CE1-CB 3.89Å; F28-R48 HydrophobicContact CE1-CG 4.14Å; F28-R48 HydrophobicContact CZ-CB 4.4Å; F28-R48 HydrophobicContact CZ-CG 4.19Å; F28-R48 WeakPolarHBondContact O-CD 3.27Å; F28-R48 PolarHBondContact O-NH1 2.65Å; F28-V50 HydrophobicContact CE2-CG1 4.22Å; F28-V50 HydrophobicContact CZ-CG1 3.54Å; F28-L60 HydrophobicContact CE1-CD1 4.19Å; F28-L60 HydrophobicContact CZ-CD1 4.09Å; F28-I62 HydrophobicContact CD1-CD1 3.78Å; F28-I62 HydrophobicContact CE1-CD1 3.66Å; F28-V160 HydrophobicContact CB-CG1 3.68Å; F28-V160 HydrophobicContact CD2-CG1 4.44Å; F28-E161 WeakPolarHBondContact CD2-OE2 3.25Å; F28-E161 WeakPolarHBondContact CE2-OE2 3.27Å; F28-F164 HydrophobicContact CB-CD2 3.81Å; F28-F164 HydrophobicContact CB-CE2 3.53Å; F28-F164 HydrophobicContact CB-CZ 4.23Å; F28-F164 HydrophobicContact CD1-CD1 4.06Å; F28-F164 AromaticContact CD1-CD2 3.77Å; F28-F164 HydrophobicContact CD1-CD2 3.77Å; F28-F164 HydrophobicContact CD1-CE1 4.17Å; F28-F164 AromaticContact CD1-CE2 3.91Å; F28-F164 HydrophobicContact CD1-CE2 3.91Å; F28-F164 AromaticContact CD1-CG 3.86Å; F28-F164 HydrophobicContact CD1-CG 3.86Å; F28-F164 HydrophobicContact CD1-CZ 4.11Å; F28-F164 HydrophobicContact CD2-CB 4.07Å; F28-F164 AromaticContact CD2-CD2 3.46Å; F28-F164 HydrophobicContact CD2-CD2 3.46Å; F28-F164 VanDerWaalsContact CD2-CD2 3.46Å; F28-F164 HydrophobicContact CD2-CE2 4.12Å; F28-F164 AromaticContact CD2-CG 3.91Å; F28-F164 HydrophobicContact CD2-CG 3.91Å; F28-F164 HydrophobicContact CE1-CB 4.11Å; F28-F164 AromaticContact CE1-CD1 3.99Å; F28-F164 HydrophobicContact CE1-CD1 3.99Å; F28-F164 HydrophobicContact CE1-CD2 4.19Å; F28-F164 HydrophobicContact CE1-CE1 4.49Å; F28-F164 AromaticContact CE1-CG 3.84Å; F28-F164 HydrophobicContact CE1-CG 3.84Å; F28-F164 HydrophobicContact CE2-CB 3.6Å; F28-F164 AromaticContact CE2-CD2 3.91Å; F28-F164 HydrophobicContact CE2-CD2 3.91Å; F28-F164 AromaticContact CE2-CG 3.88Å; F28-F164 HydrophobicContact CE2-CG 3.88Å; F28-F164 HydrophobicContact CG-CD1 4.5Å; F28-F164 AromaticContact CG-CD2 3.38Å; F28-F164 HydrophobicContact CG-CD2 3.38Å; F28-F164 AromaticContact CG-CE2 3.58Å; F28-F164 HydrophobicContact CG-CE2 3.58Å; F28-F164 AromaticContact CG-CG 3.9Å; F28-F164 HydrophobicContact CG-CG 3.9Å; F28-F164 HydrophobicContact CG-CZ 4.23Å; F28-F164 HydrophobicContact CZ-CB 3.61Å; F28-F164 HydrophobicContact CZ-CD1 4.37Å; F28-F164 HydrophobicContact CZ-CD2 4.25Å; F28-F164 AromaticContact CZ-CG 3.84Å; F28-F164 HydrophobicContact CZ-CG 3.84Å
29T95.8Very high90.4Very high33 Ų3356.7 Ų56.720%0.20230%0.303CS..Hα-helixtrans-86.2-31.5-170.655.90000113.9I25 R26 F46 R48 I62I25-T29 HydrophobicContact CG2-CG2 4.18Å; I25-T29 WeakPolarHBondContact O-CG2 3.32Å; I25-T29 PolarHBondContact O-N 2.95Å; I25-T29 PolarHBondContact O-OG1 2.89Å; R26-T29 PolarHBondContact O-N 3.03Å; T29-F46 HydrophobicContact CG2-CB 3.97Å; T29-R48 HydrophobicContact CG2-CB 4.2Å; T29-I62 HydrophobicContact CG2-CD1 4.23Å
30E93.8Very high89.7Confident80 Ų8057.6 Ų57.637%0.37431%0.308SS..Hα-helixtrans-113.9-10.1-173.9-53.8175-168.400112.7R26 R32R26-E30 WeakPolarHBondContact O-CA 3.49Å; R26-E30 VanDerWaalsContact O-CB 3.3Å; R26-E30 WeakPolarHBondContact O-CB 3.37Å; R26-E30 PolarHBondContact O-N 2.79Å; E30-R32 HydrophobicContact CB-CB 4.33Å; E30-R32 HydrophobicContact CB-CG 4.37Å; E30-R32 PolarHBondContact O-N 2.68Å; E30-R32 IonicContact OE2-CZ 3.09Å; E30-R32 IonicContact OE2-NE 2.68Å; E30-R32 PolarHBondContact OE2-NE 2.96Å; E30-R32 VanDerWaalsContact OE2-NE 3.09Å; E30-R32 IonicContact OE2-NH2 2.79Å; E30-R32 PolarHBondContact OE2-NH2 2.81Å
31G90.8Very high88.9Confident48 Ų4862.3 Ų62.350%0.49533%0.334SS..SBendtrans67.413.1-17300000113.3R26 R27R26-G31 PolarHBondContact O-N 2.87Å; R27-G31 PolarHBondContact NH1-O 3.08Å; R27-G31 WeakPolarHBondContact O-CA 3.3Å; R27-G31 PolarHBondContact O-N 3.43Å; R27-G31 VanDerWaalsContact O-N 3.1Å
32R86.1Confident88.2Confident161 Ų16162.2 Ų62.261%0.60834%0.336SS*.  trans-112.8150.9-175.4-64.9-172.2-64.7-162.30.6112.2R26 R27 E30R26-R32 CarbonylContact C-O 3.47Å; R27-R32 WeakPolarHBondContact CA-O 3.17Å; R27-R32 PolarHBondContact N-O 3.43Å; E30-R32 HydrophobicContact CB-CB 4.33Å; E30-R32 HydrophobicContact CB-CG 4.37Å; E30-R32 PolarHBondContact O-N 2.68Å; E30-R32 IonicContact OE2-CZ 3.09Å; E30-R32 IonicContact OE2-NE 2.68Å; E30-R32 PolarHBondContact OE2-NE 2.96Å; E30-R32 VanDerWaalsContact OE2-NE 3.09Å; E30-R32 IonicContact OE2-NH2 2.79Å; E30-R32 PolarHBondContact OE2-NH2 2.81Å
33F86.1Confident87.6Confident77 Ų7762.8 Ų62.834%0.33834%0.34SS..  trans-121.6131.6169.9172.9-101.5000109.2C23 R27 Q35 A154 R155C23-F33 HydrophobicContact CB-CD2 4.42Å; C23-F33 HydrophobicContact CB-CE2 4.32Å; R27-F33 VanDerWaalsContact CZ-CB 3.48Å; F33-Q35 HydrophobicContact CE1-CB 4.23Å; F33-A154 HydrophobicContact CD2-CB 3.93Å; F33-A154 HydrophobicContact CE2-CB 4.24Å; F33-R155 HydrophobicContact CD1-CG 4.35Å; F33-R155 HydrophobicContact CD2-CB 4.48Å; F33-R155 HydrophobicContact CE1-CB 4.29Å; F33-R155 HydrophobicContact CE1-CG 4Å; F33-R155 HydrophobicContact CE2-CB 4.17Å; F33-R155 HydrophobicContact CZ-CB 4.07Å; F33-R155 HydrophobicContact CZ-CG 4.21Å
34A79.6Confident87.4Confident38 Ų3865.1 Ų65.131%0.31435%0.351SS..  trans-104.8121.8172.800000108.5V36A34-V36 VanDerWaalsContact C-N 3.26Å; A34-V36 WeakPolarHBondContact CB-O 3.41Å; A34-V36 PolarHBondContact O-N 2.88Å
35Q74.5Confident87.2Confident183 Ų18369.7 Ų69.786%0.85537%0.371SS*.SBendtrans-68.2-31.2178.2-169.8174.32.800111.8F33F33-Q35 HydrophobicContact CE1-CB 4.23Å
36V77.4Confident87.1Confident121 Ų12171 Ų7173%0.73338%0.377SS*.SBendtrans-107121.9170.4-176.70000107.6A34A34-V36 VanDerWaalsContact C-N 3.26Å; A34-V36 WeakPolarHBondContact CB-O 3.41Å; A34-V36 PolarHBondContact O-N 2.88Å
37S78.9Confident87.1Confident45 Ų4569.6 Ų69.632%0.31538%0.38SS..  trans-126.9118.5172.8-174.50000108
38D82.5Confident87.1Confident134 Ų13470.6 Ų70.672%0.71738%0.383SS*.PPolyproline II helixtrans-62.4148.2171.5-66.4-41000109.9T40D38-T40 PolarHBondContact O-N 2.87Å
39P84.4Confident87Confident77 Ų7774 Ų7450%0.540%0.402SS..PPolyproline II helixtrans-60.2130.8174.2-20.632000110.7V41P39-V41 PolarHBondContact O-N 3.05Å
40T80.7Confident87Confident19 Ų1972.6 Ų72.612%0.11739%0.393CS..PPolyproline II helixtrans-58.9131173.6-43.10000110.3S22 D38 D64 A66S22-T40 PolarHBondContact OG-OG1 3.02Å; D38-T40 PolarHBondContact O-N 2.87Å; T40-D64 PolarHBondContact OG1-OD2 3.27Å; T40-A66 WeakPolarHBondContact O-CB 3.28Å
41V81.6Confident87Confident109 Ų10974 Ų7466%0.66140%0.399SS*.  trans-107114.2173.5179.20000107.7P39 F71P39-V41 PolarHBondContact O-N 3.05Å; V41-F71 HydrophobicContact CG1-CE1 4.25Å; V41-F71 HydrophobicContact CG1-CZ 4.03Å
42G80.3Confident87.1Confident9 Ų971.9 Ų71.99%0.09338%0.377CS..SBendtrans76.4-123-174.400000112.1A66G42-A66 VanDerWaalsContact O-CB 3.3Å; G42-A66 WeakPolarHBondContact O-CB 3.46Å; G42-A66 PolarHBondContact O-N 3.39Å
43V85.1Confident87.3Confident24 Ų2467.5 Ų67.515%0.14536%0.363CS..EExtended strand (participates in β ladder)trans-144.2130.6-175.3-172.90000110.4W63 D64 T65 I74 Y78V43-W63 HydrophobicContact CG1-CB 3.96Å; V43-W63 HydrophobicContact CG1-CD2 4.27Å; V43-W63 HydrophobicContact CG1-CE3 3.52Å; V43-W63 HydrophobicContact CG1-CG 4.5Å; V43-W63 HydrophobicContact CG1-CZ3 4.35Å; V43-D64 CarbonylContact C-O 3.52Å; V43-D64 WeakPolarHBondContact CA-O 3.39Å; V43-D64 WeakPolarHBondContact CG1-O 3.43Å; V43-T65 HydrophobicContact CG1-CG2 4.35Å; V43-T65 HydrophobicContact CG2-CG2 4.45Å; V43-I74 HydrophobicContact CG2-CG2 3.85Å; V43-Y78 HydrophobicContact CB-CD2 4.43Å; V43-Y78 HydrophobicContact CB-CE2 3.94Å; V43-Y78 HydrophobicContact CG1-CD1 4.44Å; V43-Y78 HydrophobicContact CG1-CD2 4.39Å; V43-Y78 HydrophobicContact CG1-CE1 4.29Å; V43-Y78 HydrophobicContact CG1-CE2 4.25Å; V43-Y78 HydrophobicContact CG1-CG 4.48Å; V43-Y78 HydrophobicContact CG2-CD2 3.75Å; V43-Y78 HydrophobicContact CG2-CE2 3.48Å; V43-Y78 VanDerWaalsContact CG2-CE2 3.48Å
44D91.3Very high87.5Confident68 Ų6869.9 Ų69.936%0.36439%0.387SS..EExtended strand (participates in β ladder)trans-102.6155.6173.6-72.9-35.2000111.4F46 W63 D64D44-F46 HydrophobicContact CB-CE2 3.85Å; D44-F46 HydrophobicContact CB-CZ 4.48Å; D44-W63 WeakPolarHBondContact O-CA 3.46Å; D44-D64 HydrophobicContact CB-CB 4.17Å; D44-D64 PolarHBondContact N-O 3.45Å; D44-D64 PolarHBondContact O-N 3.04Å
45F93.9Very high87.9Confident96 Ų9670.8 Ų70.842%0.42140%0.4SS..EExtended strand (participates in β ladder)trans-117132.8-178.3172.5-96.7000112.1Q61 W63F45-Q61 HydrophobicContact CE2-CB 3.79Å; F45-Q61 HydrophobicContact CE2-CG 3.83Å; F45-Q61 HydrophobicContact CZ-CB 4.35Å; F45-Q61 HydrophobicContact CZ-CG 3.95Å; F45-W63 HydrophobicContact CB-CE3 4.16Å; F45-W63 HydrophobicContact CB-CH2 4.49Å; F45-W63 HydrophobicContact CB-CZ3 3.98Å; F45-W63 HydrophobicContact CD2-CD2 4.32Å; F45-W63 HydrophobicContact CD2-CE3 4.38Å; F45-W63 HydrophobicContact CD2-CH2 4.27Å; F45-W63 HydrophobicContact CD2-CZ2 4.15Å; F45-W63 HydrophobicContact CD2-CZ3 4.37Å
46F95.8Very high88.7Confident28 Ų2864.8 Ų64.812%0.12337%0.37CS..EExtended strand (participates in β ladder)trans-130.7157.2173.7-58.8-96.9000111.3I25 R26 T29 D44 I62 D64I25-F46 HydrophobicContact CG2-CB 3.89Å; I25-F46 HydrophobicContact CG2-CD1 4.1Å; I25-F46 HydrophobicContact CG2-CD2 3.45Å; I25-F46 VanDerWaalsContact CG2-CD2 3.45Å; I25-F46 HydrophobicContact CG2-CE2 3.95Å; I25-F46 HydrophobicContact CG2-CG 3.53Å; I25-F46 HydrophobicContact CG2-CZ 4.46Å; R26-F46 HydrophobicContact CG-CE1 4.03Å; R26-F46 HydrophobicContact CG-CZ 4.12Å; T29-F46 HydrophobicContact CG2-CB 3.97Å; D44-F46 HydrophobicContact CB-CE2 3.85Å; D44-F46 HydrophobicContact CB-CZ 4.48Å; F46-I62 HydrophobicContact CB-CB 4.37Å; F46-I62 PolarHBondContact N-O 3.42Å; F46-I62 PolarHBondContact O-N 3.47Å; F46-D64 HydrophobicContact CD2-CB 4.32Å; F46-D64 HydrophobicContact CE2-CB 3.9Å
47S96.3Very high89.5Confident56 Ų5664.4 Ų64.439%0.39236%0.356SS..EExtended strand (participates in β ladder)trans-141.2137.1176.6178.80000111.2K59 L60S47-K59 WeakPolarHBondContact OG-CE 3.43Å; S47-L60 VanDerWaalsContact CA-O 3.22Å; S47-L60 WeakPolarHBondContact CA-O 3.48Å; S47-L60 PolarHBondContact OG-O 3.04Å
48R96Very high90.4Very high73 Ų7362.3 Ų62.328%0.27534%0.341SS..EExtended strand (participates in β ladder)trans-147.5141.9173.8-178.7163.9177.3-145.8-13.5111.1F28 T29 L60 E161F28-R48 HydrophobicContact CE1-CB 3.89Å; F28-R48 HydrophobicContact CE1-CG 4.14Å; F28-R48 HydrophobicContact CZ-CB 4.4Å; F28-R48 HydrophobicContact CZ-CG 4.19Å; F28-R48 WeakPolarHBondContact O-CD 3.27Å; F28-R48 PolarHBondContact O-NH1 2.65Å; T29-R48 HydrophobicContact CG2-CB 4.2Å; R48-L60 PolarHBondContact N-O 3.21Å; R48-L60 PolarHBondContact O-N 3.32Å; R48-E161 IonicContact CZ-OE1 2.73Å; R48-E161 IonicContact CZ-OE2 2.71Å; R48-E161 IonicContact NH1-OE1 3.33Å; R48-E161 IonicContact NH1-OE2 3.09Å; R48-E161 PolarHBondContact NH1-OE2 3.42Å; R48-E161 IonicContact NH2-OE1 3.24Å; R48-E161 PolarHBondContact NH2-OE1 2.84Å; R48-E161 IonicContact NH2-OE2 3.02Å; R48-E161 PolarHBondContact NH2-OE2 2.53Å
49L95.8Very high91.1Very high75 Ų7558.1 Ų58.139%0.39332%0.316SS..EExtended strand (participates in β ladder)trans-85132.6168.4-77.2167.1000109.3W5 I58 K59W5-L49 HydrophobicContact CB-CD2 3.84Å; W5-L49 HydrophobicContact CD2-CD2 4.17Å; W5-L49 HydrophobicContact CE3-CD1 4.47Å; W5-L49 HydrophobicContact CE3-CD2 3.83Å; W5-L49 HydrophobicContact CG-CD2 4.2Å; L49-I58 WeakPolarHBondContact CA-O 3.3Å; L49-K59 HydrophobicContact CD2-CB 3.72Å; L49-K59 HydrophobicContact CD2-CG 4.22Å
50V96Very high91.8Very high3 Ų354.4 Ų54.42%0.01829%0.293CS..EExtended strand (participates in β ladder)trans-120.5144172.9-62.80000109.9F28 I52 R57 I58 L60 T168F28-V50 HydrophobicContact CE2-CG1 4.22Å; F28-V50 HydrophobicContact CZ-CG1 3.54Å; V50-I52 HydrophobicContact CG2-CG2 4.36Å; V50-R57 CarbonylContact O-C 3.43Å; V50-R57 VanDerWaalsContact O-CA 3.3Å; V50-R57 WeakPolarHBondContact O-CA 3.25Å; V50-I58 HydrophobicContact CG2-CB 4.09Å; V50-I58 PolarHBondContact N-O 3.02Å; V50-I58 PolarHBondContact O-N 2.96Å; V50-L60 HydrophobicContact CG1-CD1 3.76Å; V50-L60 HydrophobicContact CG1-CG 4.36Å; V50-L60 HydrophobicContact CG2-CD1 3.92Å; V50-L60 HydrophobicContact CG2-CD2 4.35Å; V50-L60 HydrophobicContact CG2-CG 3.95Å; V50-T168 HydrophobicContact CG2-CG2 3.85Å
51E93.7Very high92.6Very high109 Ų10954.8 Ų54.851%0.50929%0.293SS..EExtended strand (participates in β ladder)trans-104.9111.9173-172.4168.5-169.300108.4E53 P54 G55 K56 R57E51-E53 WeakPolarHBondContact CG-O 3.23Å; E51-P54 WeakPolarHBondContact OE1-CA 3.42Å; E51-G55 PolarHBondContact OE1-N 3.47Å; E51-K56 WeakPolarHBondContact CA-O 3.5Å; E51-R57 HydrophobicContact CB-CG 4.13Å; E51-R57 HydrophobicContact CG-CG 4.21Å
52I93.6Very high93.4Very high5 Ų549.6 Ų49.63%0.02626%0.261CS..EExtended strand (participates in β ladder)trans-86.2-27.2-174.953.9169.5000112.7V50 K56 I58 T165 T168 R169 F172V50-I52 HydrophobicContact CG2-CG2 4.36Å; I52-K56 HydrophobicContact CG1-CB 4Å; I52-K56 WeakPolarHBondContact CG1-O 3.19Å; I52-K56 PolarHBondContact N-O 2.86Å; I52-I58 HydrophobicContact CD1-CD1 4.38Å; I52-I58 HydrophobicContact CD1-CG1 3.93Å; I52-I58 HydrophobicContact CG1-CG1 4.19Å; I52-I58 HydrophobicContact CG2-CG1 4.41Å; I52-T165 HydrophobicContact CG2-CG2 4.32Å; I52-T168 HydrophobicContact CG2-CG2 3.59Å; I52-R169 HydrophobicContact CB-CG 3.9Å; I52-R169 HydrophobicContact CG2-CG 3.97Å; I52-R169 PolarHBondContact O-NE 3Å; I52-R169 VanDerWaalsContact O-NE 3.15Å; I52-R169 PolarHBondContact O-NH2 2.95Å; I52-F172 HydrophobicContact CD1-CB 3.82Å; I52-F172 HydrophobicContact CD1-CD1 3.41Å; I52-F172 VanDerWaalsContact CD1-CD1 3.41Å; I52-F172 HydrophobicContact CD1-CD2 3.85Å; I52-F172 HydrophobicContact CD1-CE1 3.8Å; I52-F172 HydrophobicContact CD1-CE2 4.21Å; I52-F172 HydrophobicContact CD1-CG 3.41Å; I52-F172 VanDerWaalsContact CD1-CG 3.41Å; I52-F172 HydrophobicContact CD1-CZ 4.18Å
53E90.3Very high94.1Very high68 Ų6851.3 Ų51.332%0.31827%0.265SS..EExtended strand (participates in β ladder)trans-151.6158.6176.7-64.3172.9-158.100107.9E51 G55 K56E51-E53 WeakPolarHBondContact CG-O 3.23Å; E53-G55 PolarHBondContact O-N 3.5Å; E53-G55 VanDerWaalsContact O-N 3.14Å; E53-K56 HydrophobicContact CB-CB 4.13Å; E53-K56 HydrophobicContact CB-CD 4.1Å; E53-K56 HydrophobicContact CB-CG 4.19Å; E53-K56 PolarHBondContact O-N 3.4Å; E53-K56 WeakPolarHBondContact OE2-CD 3.47Å; E53-K56 VanDerWaalsContact OE2-CE 3.25Å; E53-K56 WeakPolarHBondContact OE2-CE 3.49Å; E53-K56 IonicContact OE2-NZ 2.9Å; E53-K56 PolarHBondContact OE2-NZ 3.14Å
54P90.5Very high94.6Very high128 Ų12850.1 Ų50.183%0.83126%0.258SS*.THydrogen-bonded Turntrans-50.9121178.7-2835.8000112.8E51 K56E51-P54 WeakPolarHBondContact OE1-CA 3.42Å; P54-K56 PolarHBondContact O-N 3.06Å
55G87.1Confident94.6Very high57 Ų5746.9 Ų46.959%0.58824%0.241SC*.THydrogen-bonded Turntrans79.3-8-177.900000115.2E51 E53 R57E51-G55 PolarHBondContact OE1-N 3.47Å; E53-G55 PolarHBondContact O-N 3.5Å; E53-G55 VanDerWaalsContact O-N 3.14Å; G55-R57 PolarHBondContact O-N 3.1Å
56K91.3Very high94.2Very high56 Ų5642.3 Ų42.324%0.24322%0.221CC..EExtended strand (participates in β ladder)trans-100.790.3-178.8-59.4-165.3-173.2161.80111L6 E51 I52 E53 P54 F172L6-K56 HydrophobicContact CD1-CB 3.82Å; L6-K56 HydrophobicContact CD1-CD 4.14Å; L6-K56 HydrophobicContact CD1-CG 3.86Å; E51-K56 WeakPolarHBondContact CA-O 3.5Å; I52-K56 HydrophobicContact CG1-CB 4Å; I52-K56 WeakPolarHBondContact CG1-O 3.19Å; I52-K56 PolarHBondContact N-O 2.86Å; E53-K56 HydrophobicContact CB-CB 4.13Å; E53-K56 HydrophobicContact CB-CD 4.1Å; E53-K56 HydrophobicContact CB-CG 4.19Å; E53-K56 PolarHBondContact O-N 3.4Å; E53-K56 WeakPolarHBondContact OE2-CD 3.47Å; E53-K56 VanDerWaalsContact OE2-CE 3.25Å; E53-K56 WeakPolarHBondContact OE2-CE 3.49Å; E53-K56 IonicContact OE2-NZ 2.9Å; E53-K56 PolarHBondContact OE2-NZ 3.14Å; P54-K56 PolarHBondContact O-N 3.06Å; K56-F172 HydrophobicContact CD-CE1 4.32Å; K56-F172 HydrophobicContact CD-CZ 4Å
57R95.3Very high93.3Very high114 Ų11441.5 Ų41.543%0.4322%0.22SC..EExtended strand (participates in β ladder)trans-93.8139.2177.4-70.3-179.3-80.9-169.5-5.9111.7I4 W5 L6 V50 E51 G55I4-R57 PolarHBondContact O-NE 3.3Å; W5-R57 CarbonylContact C-O 3.5Å; W5-R57 VanDerWaalsContact CA-O 3.25Å; W5-R57 WeakPolarHBondContact CA-O 3.08Å; W5-R57 HydrophobicContact CB-CB 4.29Å; W5-R57 WeakPolarHBondContact CB-O 3.36Å; L6-R57 PolarHBondContact N-O 2.9Å; V50-R57 CarbonylContact O-C 3.43Å; V50-R57 VanDerWaalsContact O-CA 3.3Å; V50-R57 WeakPolarHBondContact O-CA 3.25Å; E51-R57 HydrophobicContact CB-CG 4.13Å; E51-R57 HydrophobicContact CG-CG 4.21Å; G55-R57 PolarHBondContact O-N 3.1Å
58I97.1Very high92.4Very high0 Ų040.9 Ų40.90%021%0.211CC..EExtended strand (participates in β ladder)trans-125.9135.1175.9-54-65.7000108.2L6 Y7 F9 L49 V50 I52 L60 T168 F172L6-I58 HydrophobicContact CB-CD1 4.07Å; Y7-I58 HydrophobicContact CD2-CD1 3.99Å; Y7-I58 WeakPolarHBondContact O-CA 3.05Å; F9-I58 HydrophobicContact CD1-CG2 4.49Å; F9-I58 HydrophobicContact CD2-CG2 3.57Å; F9-I58 HydrophobicContact CE2-CG2 3.71Å; F9-I58 HydrophobicContact CG-CG2 3.97Å; F9-I58 HydrophobicContact CZ-CD1 4.48Å; F9-I58 HydrophobicContact CZ-CG2 4.23Å; L49-I58 WeakPolarHBondContact CA-O 3.3Å; V50-I58 HydrophobicContact CG2-CB 4.09Å; V50-I58 PolarHBondContact N-O 3.02Å; V50-I58 PolarHBondContact O-N 2.96Å; I52-I58 HydrophobicContact CD1-CD1 4.38Å; I52-I58 HydrophobicContact CD1-CG1 3.93Å; I52-I58 HydrophobicContact CG1-CG1 4.19Å; I52-I58 HydrophobicContact CG2-CG1 4.41Å; I58-L60 HydrophobicContact CG2-CD2 4.07Å; I58-T168 HydrophobicContact CB-CG2 3.85Å; I58-T168 HydrophobicContact CG1-CG2 3.96Å; I58-T168 HydrophobicContact CG2-CG2 3.8Å; I58-F172 HydrophobicContact CD1-CD2 3.99Å; I58-F172 HydrophobicContact CD1-CE2 4.34Å
59K97.4Very high91.4Very high46 Ų4644.4 Ų44.420%0.223%0.231CC..EExtended strand (participates in β ladder)trans-90.7119.7174.4-174177.6174.3-165.10109.9W5 Y7 Q8 F9 S47 L49W5-K59 HydrophobicContact CB-CB 4.45Å; W5-K59 HydrophobicContact CD2-CB 3.99Å; W5-K59 HydrophobicContact CD2-CD 4.2Å; W5-K59 HydrophobicContact CE3-CD 4.45Å; W5-K59 HydrophobicContact CG-CB 3.88Å; W5-K59 HydrophobicContact CH2-CD 4.13Å; W5-K59 HydrophobicContact CZ2-CD 3.82Å; W5-K59 HydrophobicContact CZ3-CD 4.43Å; Y7-K59 PolarHBondContact O-N 3.12Å; Q8-K59 CarbonylContact C-O 3.52Å; Q8-K59 WeakPolarHBondContact CA-O 3.23Å; Q8-K59 HydrophobicContact CB-CB 4.2Å; Q8-K59 HydrophobicContact CG-CB 4.13Å; Q8-K59 HydrophobicContact CG-CD 4.23Å; Q8-K59 HydrophobicContact CG-CG 4.19Å; F9-K59 PolarHBondContact N-O 2.91Å; S47-K59 WeakPolarHBondContact OG-CE 3.43Å; L49-K59 HydrophobicContact CD2-CB 3.72Å; L49-K59 HydrophobicContact CD2-CG 4.22Å
60L98.3Very high90.5Very high0 Ų049.6 Ų49.60%025%0.245CC..EExtended strand (participates in β ladder)trans-95128174.3-55.4-176.9000109.7F9 L11 F28 S47 R48 V50 I58 I62 F164 T168F9-L60 HydrophobicContact CB-CD2 4.1Å; F9-L60 HydrophobicContact CD2-CD2 4.3Å; L11-L60 HydrophobicContact CD1-CB 4.42Å; L11-L60 HydrophobicContact CD1-CD1 4Å; L11-L60 HydrophobicContact CD1-CD2 4.03Å; L11-L60 HydrophobicContact CD1-CG 4.37Å; L11-L60 HydrophobicContact CG-CD2 4.44Å; F28-L60 HydrophobicContact CE1-CD1 4.19Å; F28-L60 HydrophobicContact CZ-CD1 4.09Å; S47-L60 VanDerWaalsContact CA-O 3.22Å; S47-L60 WeakPolarHBondContact CA-O 3.48Å; S47-L60 PolarHBondContact OG-O 3.04Å; R48-L60 PolarHBondContact N-O 3.21Å; R48-L60 PolarHBondContact O-N 3.32Å; V50-L60 HydrophobicContact CG1-CD1 3.76Å; V50-L60 HydrophobicContact CG1-CG 4.36Å; V50-L60 HydrophobicContact CG2-CD1 3.92Å; V50-L60 HydrophobicContact CG2-CD2 4.35Å; V50-L60 HydrophobicContact CG2-CG 3.95Å; I58-L60 HydrophobicContact CG2-CD2 4.07Å; L60-I62 HydrophobicContact CB-CD1 4.25Å; L60-I62 HydrophobicContact CB-CG1 4.08Å; L60-F164 HydrophobicContact CD1-CB 4.39Å; L60-T168 HydrophobicContact CD2-CG2 4.02Å; L60-T168 WeakPolarHBondContact CD2-OG1 3.46Å
61Q97.8Very high89.7Confident26 Ų2651.6 Ų51.612%0.12125%0.254CS..EExtended strand (participates in β ladder)trans-104.7116165.8-76.9-162.7-41.500107.4Q8 F9 R10 L11 F45Q8-Q61 HydrophobicContact CG-CG 3.99Å; Q8-Q61 VanDerWaalsContact NE2-CD 3.28Å; F9-Q61 PolarHBondContact O-N 3.3Å; R10-Q61 CarbonylContact C-O 3.52Å; R10-Q61 WeakPolarHBondContact CA-O 3.47Å; R10-Q61 HydrophobicContact CG-CB 3.93Å; L11-Q61 PolarHBondContact N-O 2.95Å; F45-Q61 HydrophobicContact CE2-CB 3.79Å; F45-Q61 HydrophobicContact CE2-CG 3.83Å; F45-Q61 HydrophobicContact CZ-CB 4.35Å; F45-Q61 HydrophobicContact CZ-CG 3.95Å
62I98.1Very high88.9Confident0 Ų049.3 Ų49.30%024%0.24CC..EExtended strand (participates in β ladder)trans-117.8121.5-168.3-52.7168.2000108.7L11 V13 I25 F28 T29 F46 L60 F164L11-I62 HydrophobicContact CB-CG1 4.44Å; L11-I62 HydrophobicContact CD1-CG1 4.49Å; L11-I62 WeakPolarHBondContact O-CA 3.13Å; V13-I62 HydrophobicContact CG2-CG2 3.83Å; I25-I62 HydrophobicContact CD1-CG2 4.01Å; I25-I62 HydrophobicContact CG1-CG2 4.03Å; I25-I62 HydrophobicContact CG2-CG2 4.14Å; F28-I62 HydrophobicContact CD1-CD1 3.78Å; F28-I62 HydrophobicContact CE1-CD1 3.66Å; T29-I62 HydrophobicContact CG2-CD1 4.23Å; F46-I62 HydrophobicContact CB-CB 4.37Å; F46-I62 PolarHBondContact N-O 3.42Å; F46-I62 PolarHBondContact O-N 3.47Å; L60-I62 HydrophobicContact CB-CD1 4.25Å; L60-I62 HydrophobicContact CB-CG1 4.08Å; I62-F164 HydrophobicContact CD1-CD1 4.14Å; I62-F164 HydrophobicContact CD1-CE1 3.84Å; I62-F164 HydrophobicContact CG2-CE1 4.36Å
63W96.1Very high88.2Confident45 Ų4553.3 Ų53.317%0.1727%0.268CS..EExtended strand (participates in β ladder)trans-97.2113.3175-65.4100000109.9L11 I12 V13 V43 D44 F45 Y78L11-W63 PolarHBondContact O-N 3.27Å; I12-W63 HydrophobicContact CG1-CB 4.37Å; V13-W63 PolarHBondContact N-O 3.42Å; V43-W63 HydrophobicContact CG1-CB 3.96Å; V43-W63 HydrophobicContact CG1-CD2 4.27Å; V43-W63 HydrophobicContact CG1-CE3 3.52Å; V43-W63 HydrophobicContact CG1-CG 4.5Å; V43-W63 HydrophobicContact CG1-CZ3 4.35Å; D44-W63 WeakPolarHBondContact O-CA 3.46Å; F45-W63 HydrophobicContact CB-CE3 4.16Å; F45-W63 HydrophobicContact CB-CH2 4.49Å; F45-W63 HydrophobicContact CB-CZ3 3.98Å; F45-W63 HydrophobicContact CD2-CD2 4.32Å; F45-W63 HydrophobicContact CD2-CE3 4.38Å; F45-W63 HydrophobicContact CD2-CH2 4.27Å; F45-W63 HydrophobicContact CD2-CZ2 4.15Å; F45-W63 HydrophobicContact CD2-CZ3 4.37Å; W63-Y78 AromaticContact CD2-CD1 3.59Å; W63-Y78 HydrophobicContact CD2-CD1 3.59Å; W63-Y78 AromaticContact CD2-CE1 3.73Å; W63-Y78 HydrophobicContact CD2-CE1 3.73Å; W63-Y78 AromaticContact CE2-CD1 3.83Å; W63-Y78 AromaticContact CE2-CE1 3.95Å; W63-Y78 AromaticContact CE3-CD1 3.79Å; W63-Y78 HydrophobicContact CE3-CD1 3.79Å; W63-Y78 AromaticContact CE3-CE1 3.46Å; W63-Y78 HydrophobicContact CE3-CE1 3.46Å; W63-Y78 VanDerWaalsContact CE3-CE1 3.46Å; W63-Y78 AromaticContact CG-CD1 3.99Å; W63-Y78 HydrophobicContact CG-CD1 3.99Å; W63-Y78 HydrophobicContact CH2-CD1 4.33Å; W63-Y78 AromaticContact CH2-CE1 3.6Å; W63-Y78 HydrophobicContact CH2-CE1 3.6Å; W63-Y78 HydrophobicContact CZ2-CD1 4.19Å; W63-Y78 AromaticContact CZ2-CE1 3.9Å; W63-Y78 HydrophobicContact CZ2-CE1 3.9Å; W63-Y78 HydrophobicContact CZ3-CD1 4.14Å; W63-Y78 AromaticContact CZ3-CE1 3.38Å; W63-Y78 HydrophobicContact CZ3-CE1 3.38Å
64D94.3Very high87.7Confident0 Ų053.2 Ų53.20%027%0.27CS..EExtended strand (participates in β ladder)trans-84.5120.3171.1-175.728.2000109.2K21 S22 I25 T40 V43 D44 F46K21-D64 WeakPolarHBondContact CB-OD1 3.41Å; S22-D64 WeakPolarHBondContact CA-OD2 3.43Å; S22-D64 WeakPolarHBondContact CB-OD2 3.41Å; S22-D64 PolarHBondContact OG-OD1 3.07Å; S22-D64 PolarHBondContact OG-OD2 3.25Å; I25-D64 HydrophobicContact CD1-CB 3.41Å; I25-D64 VanDerWaalsContact CD1-CB 3.41Å; T40-D64 PolarHBondContact OG1-OD2 3.27Å; V43-D64 CarbonylContact C-O 3.52Å; V43-D64 WeakPolarHBondContact CA-O 3.39Å; V43-D64 WeakPolarHBondContact CG1-O 3.43Å; D44-D64 HydrophobicContact CB-CB 4.17Å; D44-D64 PolarHBondContact N-O 3.45Å; D44-D64 PolarHBondContact O-N 3.04Å; F46-D64 HydrophobicContact CD2-CB 4.32Å; F46-D64 HydrophobicContact CE2-CB 3.9Å
65T91.3Very high87.3Confident0 Ų047.1 Ų47.10%023%0.23CC..EExtended strand (participates in β ladder)trans-106148.1-173.669.10000112I12 V13 I14 K21 V43 G67 T75I12-T65 HydrophobicContact CD1-CG2 3.78Å; I12-T65 HydrophobicContact CG1-CG2 3.52Å; V13-T65 WeakPolarHBondContact O-CB 3.1Å; V13-T65 WeakPolarHBondContact O-CG2 3.42Å; V13-T65 PolarHBondContact O-OG1 3.19Å; I14-T65 HydrophobicContact CG2-CG2 4.26Å; K21-T65 WeakPolarHBondContact CE-O 3.49Å; V43-T65 HydrophobicContact CG1-CG2 4.35Å; V43-T65 HydrophobicContact CG2-CG2 4.45Å; T65-G67 PolarHBondContact O-N 3.26Å; T65-T75 HydrophobicContact CG2-CG2 3.94Å
66A86.3Confident87.2Confident0 Ų049.3 Ų49.30%022%0.221CC..  trans-65.5128169.300000111.1T40 G42 Q68 F71T40-A66 WeakPolarHBondContact O-CB 3.28Å; G42-A66 VanDerWaalsContact O-CB 3.3Å; G42-A66 WeakPolarHBondContact O-CB 3.46Å; G42-A66 PolarHBondContact O-N 3.39Å; A66-Q68 VanDerWaalsContact C-N 3.32Å; A66-F71 HydrophobicContact CB-CB 3.65Å; A66-F71 HydrophobicContact CB-CD2 3.68Å; A66-F71 HydrophobicContact CB-CG 3.97Å
67G76.3Confident86.9Confident10 Ų1050 Ų5010%0.10324%0.237CC..  trans-86.62.3177.400000114.8G15 S17 K21 T65G15-G67 WeakPolarHBondContact O-CA 3.42Å; S17-G67 PolarHBondContact N-O 2.75Å; K21-G67 VanDerWaalsContact NZ-CA 3.26Å; T65-G67 PolarHBondContact O-N 3.26Å
68Q78.6Confident86.6Confident44 Ų4447.9 Ų47.921%0.20623%0.229CC..SBendtrans-83.5135.1177.3-58.4-179.438.700109.7A66 R70 F71A66-Q68 VanDerWaalsContact C-N 3.32Å; Q68-R70 PolarHBondContact O-N 3.06Å; Q68-R70 VanDerWaalsContact O-N 3.11Å; Q68-R70 VanDerWaalsContact OE1-NH2 3.09Å; Q68-F71 HydrophobicContact CB-CD2 3.91Å; Q68-F71 HydrophobicContact CB-CE2 4.38Å; Q68-F71 HydrophobicContact CG-CD2 4.49Å; Q68-F71 PolarHBondContact O-N 3.31Å
69E74.9Confident86.3Confident147 Ų14747.9 Ų47.969%0.68723%0.229SC*.G310 helixtrans-50.2-37.8178.765.5-149.8-18000114F71 R72E69-F71 PolarHBondContact O-N 3.21Å; E69-F71 VanDerWaalsContact O-N 3.09Å; E69-R72 WeakPolarHBondContact O-CB 3.43Å; E69-R72 PolarHBondContact O-N 3.46Å
70R75.4Confident85.9Confident184 Ų18453.3 Ų53.369%0.69425%0.249SC*.G310 helixtrans-62.6-17.5179.1-63.9-177.3-65.3178.20.2113.8Q68Q68-R70 PolarHBondContact O-N 3.06Å; Q68-R70 VanDerWaalsContact O-N 3.11Å; Q68-R70 VanDerWaalsContact OE1-NH2 3.09Å
71F79.1Confident85.6Confident45 Ų4555.4 Ų55.420%0.19726%0.26CS..G310 helixtrans-108.17.7177.8-57.6-57.2000113.2V41 A66 Q68 E69 S73 I74 T75V41-F71 HydrophobicContact CG1-CE1 4.25Å; V41-F71 HydrophobicContact CG1-CZ 4.03Å; A66-F71 HydrophobicContact CB-CB 3.65Å; A66-F71 HydrophobicContact CB-CD2 3.68Å; A66-F71 HydrophobicContact CB-CG 3.97Å; Q68-F71 HydrophobicContact CB-CD2 3.91Å; Q68-F71 HydrophobicContact CB-CE2 4.38Å; Q68-F71 HydrophobicContact CG-CD2 4.49Å; Q68-F71 PolarHBondContact O-N 3.31Å; E69-F71 PolarHBondContact O-N 3.21Å; E69-F71 VanDerWaalsContact O-N 3.09Å; F71-S73 VanDerWaalsContact C-N 3.27Å; F71-S73 PolarHBondContact O-N 2.71Å; F71-I74 HydrophobicContact CD1-CD1 4.03Å; F71-I74 WeakPolarHBondContact O-CB 3.3Å; F71-I74 PolarHBondContact O-N 3.08Å; F71-I74 VanDerWaalsContact O-N 3.12Å; F71-T75 PolarHBondContact O-N 3.14Å; F71-T75 PolarHBondContact O-OG1 3.29Å
72R78.6Confident85.4Confident60 Ų6054.2 Ų54.223%0.22625%0.254CS..Hα-helixtrans-59.9-34.1178.9-86.3-175170.8171.60.2113.3E69 I74 T75 R76 W103 E106E69-R72 WeakPolarHBondContact O-CB 3.43Å; E69-R72 PolarHBondContact O-N 3.46Å; R72-I74 VanDerWaalsContact C-N 3.29Å; R72-I74 PolarHBondContact O-N 3.17Å; R72-T75 WeakPolarHBondContact O-CB 3.49Å; R72-T75 PolarHBondContact O-N 2.85Å; R72-R76 WeakPolarHBondContact O-CG 3.25Å; R72-R76 PolarHBondContact O-N 2.94Å; R72-W103 HydrophobicContact CG-CH2 4.08Å; R72-W103 HydrophobicContact CG-CZ3 4.39Å; R72-E106 WeakPolarHBondContact CD-OE2 3.44Å
73S78.7Confident85.4Confident89 Ų8954.3 Ų54.362%0.62226%0.255SS*.Hα-helixtrans-60.5-37.9175.9560000112.7F71F71-S73 VanDerWaalsContact C-N 3.27Å; F71-S73 PolarHBondContact O-N 2.71Å
74I79.7Confident85.4Confident67 Ų6752.1 Ų52.134%0.34425%0.247SC..Hα-helixtrans-67.8-46.1175.8-56.1177.2000109.5V43 F71 R72 R76 A77 Y78V43-I74 HydrophobicContact CG2-CG2 3.85Å; F71-I74 HydrophobicContact CD1-CD1 4.03Å; F71-I74 WeakPolarHBondContact O-CB 3.3Å; F71-I74 PolarHBondContact O-N 3.08Å; F71-I74 VanDerWaalsContact O-N 3.12Å; R72-I74 VanDerWaalsContact C-N 3.29Å; R72-I74 PolarHBondContact O-N 3.17Å; I74-R76 VanDerWaalsContact C-N 3.3Å; I74-R76 PolarHBondContact O-N 3.36Å; I74-A77 WeakPolarHBondContact O-CB 3.35Å; I74-A77 PolarHBondContact O-N 3.2Å; I74-Y78 HydrophobicContact CG2-CE2 4.13Å; I74-Y78 VanDerWaalsContact O-CD2 3.23Å; I74-Y78 WeakPolarHBondContact O-CD2 3.38Å
75T82.4Confident85.6Confident0 Ų052.1 Ų52.10%025%0.247CC..Hα-helixtrans-57.7-41.5179.8-58.40000112.2I12 I14 T65 F71 R72 A77 Y78 Y79 W103I12-T75 HydrophobicContact CD1-CG2 4.39Å; I14-T75 HydrophobicContact CG2-CG2 4.12Å; T65-T75 HydrophobicContact CG2-CG2 3.94Å; F71-T75 PolarHBondContact O-N 3.14Å; F71-T75 PolarHBondContact O-OG1 3.29Å; R72-T75 WeakPolarHBondContact O-CB 3.49Å; R72-T75 PolarHBondContact O-N 2.85Å; T75-A77 PolarHBondContact O-N 3.17Å; T75-A77 VanDerWaalsContact O-N 3.15Å; T75-Y78 PolarHBondContact O-N 3.37Å; T75-Y79 HydrophobicContact CG2-CE1 4.04Å; T75-W103 HydrophobicContact CG2-CZ3 4.31Å
76R84.4Confident85.9Confident103 Ų10352.1 Ų52.139%0.38925%0.247SC..Hα-helixtrans-57.3-31.2-180-73167.4-171.4-171.31.3114R72 I74 Y78 Y79 E106R72-R76 WeakPolarHBondContact O-CG 3.25Å; R72-R76 PolarHBondContact O-N 2.94Å; I74-R76 VanDerWaalsContact C-N 3.3Å; I74-R76 PolarHBondContact O-N 3.36Å; R76-Y78 PolarHBondContact O-N 3.42Å; R76-Y79 HydrophobicContact CB-CD2 4.24Å; R76-Y79 HydrophobicContact CB-CE2 4.29Å; R76-Y79 HydrophobicContact CG-CD2 4.17Å; R76-Y79 HydrophobicContact CG-CE2 3.8Å; R76-Y79 PolarHBondContact O-N 3.07Å; R76-E106 HydrophobicContact CG-CG 4.4Å; R76-E106 IonicContact CZ-OE2 2.66Å; R76-E106 VanDerWaalsContact CZ-OE2 3.24Å; R76-E106 IonicContact NE-OE2 3.3Å; R76-E106 PolarHBondContact NE-OE2 3.27Å; R76-E106 IonicContact NH2-OE2 2.73Å; R76-E106 PolarHBondContact NH2-OE2 2.69Å
77A85.5Confident86.5Confident71 Ų7152.1 Ų52.159%0.58725%0.247SC*.Hα-helixtrans-64.8-21177.600000113.2I74 T75I74-A77 WeakPolarHBondContact O-CB 3.35Å; I74-A77 PolarHBondContact O-N 3.2Å; T75-A77 PolarHBondContact O-N 3.17Å; T75-A77 VanDerWaalsContact O-N 3.15Å
78Y88.8Confident87.5Confident68 Ų6851.7 Ų51.727%0.26724%0.242SC..Hα-helixtrans-95.9-13.4-176.6-65.6-90.2000113.7V43 W63 I74 T75 R76 S82V43-Y78 HydrophobicContact CB-CD2 4.43Å; V43-Y78 HydrophobicContact CB-CE2 3.94Å; V43-Y78 HydrophobicContact CG1-CD1 4.44Å; V43-Y78 HydrophobicContact CG1-CD2 4.39Å; V43-Y78 HydrophobicContact CG1-CE1 4.29Å; V43-Y78 HydrophobicContact CG1-CE2 4.25Å; V43-Y78 HydrophobicContact CG1-CG 4.48Å; V43-Y78 HydrophobicContact CG2-CD2 3.75Å; V43-Y78 HydrophobicContact CG2-CE2 3.48Å; V43-Y78 VanDerWaalsContact CG2-CE2 3.48Å; W63-Y78 AromaticContact CD2-CD1 3.59Å; W63-Y78 HydrophobicContact CD2-CD1 3.59Å; W63-Y78 AromaticContact CD2-CE1 3.73Å; W63-Y78 HydrophobicContact CD2-CE1 3.73Å; W63-Y78 AromaticContact CE2-CD1 3.83Å; W63-Y78 AromaticContact CE2-CE1 3.95Å; W63-Y78 AromaticContact CE3-CD1 3.79Å; W63-Y78 HydrophobicContact CE3-CD1 3.79Å; W63-Y78 AromaticContact CE3-CE1 3.46Å; W63-Y78 HydrophobicContact CE3-CE1 3.46Å; W63-Y78 VanDerWaalsContact CE3-CE1 3.46Å; W63-Y78 AromaticContact CG-CD1 3.99Å; W63-Y78 HydrophobicContact CG-CD1 3.99Å; W63-Y78 HydrophobicContact CH2-CD1 4.33Å; W63-Y78 AromaticContact CH2-CE1 3.6Å; W63-Y78 HydrophobicContact CH2-CE1 3.6Å; W63-Y78 HydrophobicContact CZ2-CD1 4.19Å; W63-Y78 AromaticContact CZ2-CE1 3.9Å; W63-Y78 HydrophobicContact CZ2-CE1 3.9Å; W63-Y78 HydrophobicContact CZ3-CD1 4.14Å; W63-Y78 AromaticContact CZ3-CE1 3.38Å; W63-Y78 HydrophobicContact CZ3-CE1 3.38Å; I74-Y78 HydrophobicContact CG2-CE2 4.13Å; I74-Y78 VanDerWaalsContact O-CD2 3.23Å; I74-Y78 WeakPolarHBondContact O-CD2 3.38Å; T75-Y78 PolarHBondContact O-N 3.37Å; R76-Y78 PolarHBondContact O-N 3.42Å; Y78-S82 PolarHBondContact O-OG 2.59Å
79Y90.6Very high88.5Confident0 Ų049.6 Ų49.60%023%0.232CC..Hα-helixtrans-61.7-48177-65.4-40.4000112.1I12 I14 T75 R76 N81 S82 E106 A107 H110 I116I12-Y79 HydrophobicContact CD1-CD1 3.67Å; I12-Y79 HydrophobicContact CD1-CE1 3.82Å; I14-Y79 HydrophobicContact CD1-CE1 4.23Å; I14-Y79 HydrophobicContact CG2-CE1 3.9Å; T75-Y79 HydrophobicContact CG2-CE1 4.04Å; R76-Y79 HydrophobicContact CB-CD2 4.24Å; R76-Y79 HydrophobicContact CB-CE2 4.29Å; R76-Y79 HydrophobicContact CG-CD2 4.17Å; R76-Y79 HydrophobicContact CG-CE2 3.8Å; R76-Y79 PolarHBondContact O-N 3.07Å; Y79-N81 PolarHBondContact O-N 2.94Å; Y79-S82 PolarHBondContact O-N 2.84Å; Y79-E106 HydrophobicContact CE2-CG 4.06Å; Y79-E106 PolarHBondContact OH-OE1 3.02Å; Y79-A107 HydrophobicContact CD1-CB 4.06Å; Y79-A107 HydrophobicContact CE1-CB 3.89Å; Y79-A107 HydrophobicContact CE2-CB 4.48Å; Y79-A107 HydrophobicContact CG-CB 4.46Å; Y79-H110 HydrophobicContact CD2-CB 3.7Å; Y79-H110 HydrophobicContact CG-CB 4.38Å; Y79-I116 HydrophobicContact CD1-CD1 4.2Å
80R88.4Confident89.6Confident161 Ų16142.9 Ų42.961%0.60820%0.201SC*.THydrogen-bonded Turntrans-52.5-37.1-176-178.8175.6178.7156.10.7113.7W186R80-W186 PolarHBondContact O-NE1 3.45Å
81N91.3Very high90.7Very high44 Ų4434.1 Ų34.124%0.23517%0.168CC..THydrogen-bonded Turntrans-101.813.9-173.3-78.2-37.2000113.6R10 Y79 E187 G188R10-N81 WeakPolarHBondContact CB-O 3.39Å; R10-N81 VanDerWaalsContact CD-O 3.27Å; R10-N81 WeakPolarHBondContact CD-O 3.37Å; Y79-N81 PolarHBondContact O-N 2.94Å; N81-E187 HydrophobicContact CB-CB 4.05Å; N81-E187 PolarHBondContact OD1-N 3.42Å; N81-G188 WeakPolarHBondContact O-CA 3.41Å; N81-G188 PolarHBondContact O-N 3.07Å
82S95.2Very high91.7Very high1 Ų133 Ų331%0.00717%0.165CC..  trans-103135.7177.5-61.60000110.1I12 Y78 Y79 I116I12-S82 WeakPolarHBondContact CB-OG 3.23Å; Y78-S82 PolarHBondContact O-OG 2.59Å; Y79-S82 PolarHBondContact O-N 2.84Å; S82-I116 WeakPolarHBondContact O-CG1 3.32Å
83V96.7Very high92.6Very high1 Ų132.5 Ų32.51%0.00617%0.167CC..SBendtrans-94.9-30.2172.363.70000111.5F9 R10 V117 I171 I180 W186 G188 V189F9-V83 HydrophobicContact CB-CG1 3.82Å; F9-V83 HydrophobicContact CD1-CG1 4.37Å; F9-V83 HydrophobicContact CG-CG1 4.18Å; R10-V83 WeakPolarHBondContact O-CG1 3.32Å; R10-V83 PolarHBondContact O-N 3.25Å; V83-V117 PolarHBondContact O-N 2.64Å; V83-I171 HydrophobicContact CB-CG2 4.47Å; V83-I171 HydrophobicContact CG1-CD1 4.28Å; V83-I171 HydrophobicContact CG1-CG2 4Å; V83-I171 HydrophobicContact CG2-CG2 3.59Å; V83-I180 HydrophobicContact CG2-CD1 3.83Å; V83-I180 HydrophobicContact CG2-CG2 3.95Å; V83-W186 HydrophobicContact CB-CH2 3.98Å; V83-W186 HydrophobicContact CB-CZ2 4.14Å; V83-W186 HydrophobicContact CG2-CH2 3.89Å; V83-W186 HydrophobicContact CG2-CZ2 4.44Å; V83-G188 WeakPolarHBondContact CG1-O 3.23Å; V83-V189 HydrophobicContact CB-CG2 3.92Å; V83-V189 HydrophobicContact CG1-CG2 4.1Å; V83-V189 HydrophobicContact CG2-CG2 3.61Å
84G97.4Very high93.6Very high0 Ų032.6 Ų32.60%015%0.153CC..EExtended strand (participates in β ladder)trans-134.5161.2-179.700000112.2R10 L11 I12 V117R10-G84 PolarHBondContact O-N 3.05Å; L11-G84 VanDerWaalsContact CA-O 3.27Å; L11-G84 WeakPolarHBondContact CA-O 3.45Å; I12-G84 PolarHBondContact N-O 3.15Å; G84-V117 CarbonylContact C-O 3.49Å; G84-V117 WeakPolarHBondContact CA-O 3.39Å
85G97.3Very high94.4Very high0 Ų037.3 Ų37.30%017%0.167CC..EExtended strand (participates in β ladder)trans-152.6149.7174.100000114I12 V117 F118 L119I12-G85 CarbonylContact O-C 3.46Å; I12-G85 WeakPolarHBondContact O-CA 3.2Å; G85-V117 PolarHBondContact N-O 2.69Å; G85-F118 WeakPolarHBondContact O-CA 3.21Å; G85-F118 WeakPolarHBondContact O-CD1 3.45Å; G85-L119 PolarHBondContact O-N 3.15Å
86L98.5Very high95.2Very high0 Ų037.3 Ų37.30%017%0.167CC..EExtended strand (participates in β ladder)trans-101.6120.6167.7-60.792.9000107.6I12 V13 I14 L24 L88 V121 A163 F164 L167I12-L86 PolarHBondContact O-N 3.25Å; V13-L86 WeakPolarHBondContact CA-O 3.39Å; V13-L86 HydrophobicContact CG1-CB 4.35Å; V13-L86 HydrophobicContact CG2-CB 4.45Å; V13-L86 HydrophobicContact CG2-CD1 4.03Å; I14-L86 PolarHBondContact N-O 2.85Å; L24-L86 HydrophobicContact CD2-CD2 4.24Å; L86-L88 HydrophobicContact CB-CD1 3.53Å; L86-V121 HydrophobicContact CB-CG2 4.16Å; L86-V121 HydrophobicContact CD2-CG2 3.99Å; L86-V121 HydrophobicContact CG-CG2 4.49Å; L86-A163 HydrophobicContact CD2-CB 4.17Å; L86-F164 HydrophobicContact CD1-CD1 3.91Å; L86-F164 HydrophobicContact CD1-CE1 3.54Å; L86-F164 HydrophobicContact CD1-CZ 4.2Å; L86-F164 HydrophobicContact CD2-CD1 4.38Å; L86-F164 HydrophobicContact CD2-CE1 4.14Å; L86-F164 HydrophobicContact CD2-CE2 4.36Å; L86-F164 HydrophobicContact CD2-CZ 4.12Å; L86-L167 HydrophobicContact CD1-CD2 3.77Å; L86-L167 HydrophobicContact CG-CD2 4Å
87L98.3Very high95.9Very high0 Ų033.2 Ų33.20%015%0.152CC..EExtended strand (participates in β ladder)trans-100.8105.6176.6176.352.9000108.5I14 V100 W103 L104 F118 L119 L120 V121 M147I14-L87 HydrophobicContact CD1-CD1 4.04Å; I14-L87 HydrophobicContact CG1-CB 4.44Å; I14-L87 HydrophobicContact CG1-CD1 3.84Å; L87-V100 HydrophobicContact CD2-CG1 3.64Å; L87-V100 HydrophobicContact CG-CG1 4.16Å; L87-W103 HydrophobicContact CD1-CB 3.58Å; L87-W103 HydrophobicContact CD1-CG 4.18Å; L87-L104 HydrophobicContact CD2-CB 4.09Å; L87-F118 HydrophobicContact CB-CD1 4.13Å; L87-L119 PolarHBondContact N-O 2.93Å; L87-L120 HydrophobicContact CB-CD1 4.46Å; L87-L120 HydrophobicContact CD2-CD1 4.4Å; L87-L120 HydrophobicContact CG-CD1 4.13Å; L87-V121 PolarHBondContact O-N 3.15Å; L87-M147 HydrophobicContact CD2-CE 4.43Å
88L98.5Very high96.5Very high1 Ų135.6 Ų35.61%0.00515%0.151CC..EExtended strand (participates in β ladder)trans-97.7138.6-171.8-8465.1000111.7V13 I14 G15 V19 K21 L24 L86 V121V13-L88 HydrophobicContact CG1-CD1 3.67Å; V13-L88 HydrophobicContact CG1-CD2 4.15Å; I14-L88 PolarHBondContact O-N 3.47Å; G15-L88 WeakPolarHBondContact CA-O 3.43Å; V19-L88 HydrophobicContact CG2-CB 3.8Å; K21-L88 HydrophobicContact CB-CD2 4.32Å; K21-L88 HydrophobicContact CG-CB 4.34Å; K21-L88 HydrophobicContact CG-CD2 3.9Å; L24-L88 HydrophobicContact CB-CD2 4.33Å; L24-L88 HydrophobicContact CD2-CD1 4.2Å; L24-L88 HydrophobicContact CD2-CD2 3.76Å; L24-L88 HydrophobicContact CD2-CG 4.32Å; L86-L88 HydrophobicContact CB-CD1 3.53Å; L88-V121 WeakPolarHBondContact CA-O 3.41Å; L88-V121 HydrophobicContact CD1-CB 3.83Å; L88-V121 HydrophobicContact CD1-CG1 4.31Å; L88-V121 HydrophobicContact CD1-CG2 4.06Å; L88-V121 HydrophobicContact CG-CB 3.89Å; L88-V121 HydrophobicContact CG-CG1 4.05Å
89F98.8Very high96.9Very high0 Ų033.9 Ų33.90%015%0.146CC..EExtended strand (participates in β ladder)trans-128.6163.8157.869.8-88.2000109.5I91 F97 V100 L120 V121 H123 V133 A138 Y149F89-I91 HydrophobicContact CE2-CG2 4.04Å; F89-F97 HydrophobicContact CB-CB 4.35Å; F89-F97 AromaticContact CD1-CD2 3.87Å; F89-F97 HydrophobicContact CD1-CD2 3.87Å; F89-F97 HydrophobicContact CD2-CB 3.8Å; F89-F97 AromaticContact CD2-CD2 3.89Å; F89-F97 HydrophobicContact CD2-CD2 3.89Å; F89-F97 HydrophobicContact CD2-CG 4.27Å; F89-F97 AromaticContact CE1-CD2 3.71Å; F89-F97 HydrophobicContact CE1-CD2 3.71Å; F89-F97 HydrophobicContact CE1-CE2 4.08Å; F89-F97 HydrophobicContact CE2-CB 4.28Å; F89-F97 AromaticContact CE2-CD2 3.76Å; F89-F97 HydrophobicContact CE2-CD2 3.76Å; F89-F97 HydrophobicContact CE2-CG 4.32Å; F89-F97 HydrophobicContact CG-CB 4.11Å; F89-F97 AromaticContact CG-CD2 3.94Å; F89-F97 HydrophobicContact CG-CD2 3.94Å; F89-F97 AromaticContact CZ-CD2 3.65Å; F89-F97 HydrophobicContact CZ-CD2 3.65Å; F89-F97 HydrophobicContact CZ-CE2 4.03Å; F89-V100 HydrophobicContact CB-CG2 3.99Å; F89-V100 HydrophobicContact CD1-CG2 4.01Å; F89-V100 HydrophobicContact CG-CG2 4.31Å; F89-L120 HydrophobicContact CD1-CD1 3.94Å; F89-L120 HydrophobicContact CD1-CG 4.3Å; F89-L120 HydrophobicContact CE1-CD1 4.05Å; F89-L120 HydrophobicContact CE1-CD2 4.04Å; F89-L120 HydrophobicContact CE1-CG 3.91Å; F89-V121 WeakPolarHBondContact CD1-O 3.42Å; F89-V121 PolarHBondContact N-O 3.35Å; F89-H123 WeakPolarHBondContact O-CB 3.48Å; F89-H123 PolarHBondContact O-N 3.3Å; F89-V133 HydrophobicContact CE2-CB 3.98Å; F89-V133 HydrophobicContact CE2-CG1 3.75Å; F89-V133 HydrophobicContact CE2-CG2 4.24Å; F89-V133 HydrophobicContact CZ-CG1 4.13Å; F89-A138 HydrophobicContact CE1-CB 4.31Å; F89-A138 HydrophobicContact CZ-CB 3.75Å; F89-Y149 HydrophobicContact CE1-CD2 4.49Å; F89-Y149 AromaticContact CE1-CE2 3.66Å; F89-Y149 HydrophobicContact CE1-CE2 3.66Å; F89-Y149 AromaticContact CZ-CE2 3.7Å; F89-Y149 HydrophobicContact CZ-CE2 3.7Å; F89-Y149 WeakPolarHBondContact CZ-OH 3.03Å
90D98.6Very high97.2Very high6 Ų634 Ų343%0.03215%0.147CC..EExtended strand (participates in β ladder)trans-98123.7175.8174.5-2.6000109.2V19 T92 N93 S96 K124V19-D90 HydrophobicContact CB-CB 4.19Å; V19-D90 HydrophobicContact CG1-CB 4.2Å; D90-T92 PolarHBondContact O-N 2.94Å; D90-T92 VanDerWaalsContact O-N 3.12Å; D90-T92 PolarHBondContact OD1-N 3.19Å; D90-T92 PolarHBondContact OD1-OG1 2.94Å; D90-T92 VanDerWaalsContact OD1-OG1 3.04Å; D90-T92 PolarHBondContact OD2-OG1 3.38Å; D90-N93 HydrophobicContact CB-CB 3.99Å; D90-N93 CarbonylContact O-C 3.53Å; D90-N93 PolarHBondContact O-N 3.37Å; D90-S96 PolarHBondContact N-OG 2.94Å; D90-S96 PolarHBondContact O-OG 2.79Å; D90-K124 WeakPolarHBondContact OD2-CD 3.44Å; D90-K124 VanDerWaalsContact OD2-CE 3.28Å; D90-K124 WeakPolarHBondContact OD2-CE 3.49Å; D90-K124 IonicContact OD2-NZ 2.69Å; D90-K124 PolarHBondContact OD2-NZ 3.37Å
91I98.8Very high97.5Very high0 Ų030.1 Ų30.10%014%0.135CC..THydrogen-bonded Turntrans-63-20.5-177.370.3155.7000112.9F89 N93 H123 C125 R131 Q132 V133F89-I91 HydrophobicContact CE2-CG2 4.04Å; I91-N93 VanDerWaalsContact C-N 3.34Å; I91-H123 WeakPolarHBondContact CG2-O 3.27Å; I91-H123 PolarHBondContact N-O 3.28Å; I91-C125 HydrophobicContact CD1-CB 4.35Å; I91-R131 HydrophobicContact CD1-CB 4.29Å; I91-R131 HydrophobicContact CD1-CG 4.32Å; I91-Q132 PolarHBondContact O-N 3.38Å; I91-V133 PolarHBondContact O-N 2.98Å
92T98.7Very high97.7Very high22 Ų2231.8 Ų31.814%0.13515%0.145CC..THydrogen-bonded Turntrans-92.35177.179.80000112.5D90 L127 Q130 Q132D90-T92 PolarHBondContact O-N 2.94Å; D90-T92 VanDerWaalsContact O-N 3.12Å; D90-T92 PolarHBondContact OD1-N 3.19Å; D90-T92 PolarHBondContact OD1-OG1 2.94Å; D90-T92 VanDerWaalsContact OD1-OG1 3.04Å; D90-T92 PolarHBondContact OD2-OG1 3.38Å; T92-L127 HydrophobicContact CG2-CB 3.54Å; T92-L127 HydrophobicContact CG2-CD1 4.01Å; T92-L127 HydrophobicContact CG2-CG 4.43Å; T92-Q130 WeakPolarHBondContact CA-O 3.47Å; T92-Q130 WeakPolarHBondContact CB-O 3.3Å; T92-Q130 HydrophobicContact CG2-CB 3.76Å; T92-Q132 PolarHBondContact O-NE2 2.85Å; T92-Q132 PolarHBondContact O-OE1 3.23Å
93N98.4Very high97.7Very high49 Ų4931.8 Ų31.826%0.26214%0.144SC..  trans-133.495.4-178.9-179.9-7000110.7D90 I91 R95 S96D90-N93 HydrophobicContact CB-CB 3.99Å; D90-N93 CarbonylContact O-C 3.53Å; D90-N93 PolarHBondContact O-N 3.37Å; I91-N93 VanDerWaalsContact C-N 3.34Å; N93-R95 PolarHBondContact O-N 3.2Å; N93-R95 WeakPolarHBondContact OD1-CB 3.37Å; N93-R95 PolarHBondContact OD1-N 2.82Å; N93-R95 VanDerWaalsContact OD1-N 3.14Å; N93-S96 PolarHBondContact O-N 3.2Å; N93-S96 VanDerWaalsContact O-N 3.08Å; N93-S96 PolarHBondContact O-OG 2.9Å; N93-S96 PolarHBondContact OD1-N 3.17Å
94R98.4Very high97.5Very high91 Ų9131.8 Ų31.834%0.34314%0.144SC..Hα-helixtrans-52.9-38.1179.5-172.470.9179.8-171.412.7113.7S96 F97 Q98 Q132 E137R94-S96 VanDerWaalsContact C-N 3.33Å; R94-S96 PolarHBondContact O-N 2.78Å; R94-F97 WeakPolarHBondContact O-CB 3.33Å; R94-F97 PolarHBondContact O-N 2.93Å; R94-Q98 WeakPolarHBondContact O-CG 3.46Å; R94-Q98 PolarHBondContact O-N 3.48Å; R94-Q132 HydrophobicContact CB-CB 4.22Å; R94-Q132 PolarHBondContact NH1-O 2.84Å; R94-Q132 VanDerWaalsContact NH1-O 3.08Å; R94-E137 IonicContact CZ-OE1 3.25Å; R94-E137 IonicContact CZ-OE2 3.15Å; R94-E137 IonicContact NH1-OE1 3.08Å; R94-E137 PolarHBondContact NH1-OE1 2.91Å; R94-E137 IonicContact NH1-OE2 3.02Å; R94-E137 PolarHBondContact NH1-OE2 3.3Å; R94-E137 IonicContact NH2-OE2 2.69Å; R94-E137 PolarHBondContact NH2-OE2 2.96Å
95R98.1Very high97.3Very high165 Ų16535.6 Ų35.662%0.62316%0.162SC*.Hα-helixtrans-63.7-40.3-178.7-176.2-179.9177.2-170.1-3.5111.4N93 F97 Q98 N99N93-R95 PolarHBondContact O-N 3.2Å; N93-R95 WeakPolarHBondContact OD1-CB 3.37Å; N93-R95 PolarHBondContact OD1-N 2.82Å; N93-R95 VanDerWaalsContact OD1-N 3.14Å; R95-F97 PolarHBondContact O-N 2.99Å; R95-Q98 PolarHBondContact O-N 2.86Å; R95-Q98 VanDerWaalsContact O-N 3.17Å; R95-N99 VanDerWaalsContact O-CG 3.3Å; R95-N99 PolarHBondContact O-N 3.2Å
96S98.4Very high97Very high1 Ų136.2 Ų36.21%0.00717%0.165CC..Hα-helixtrans-62.7-32.6177.773.30000112.6D90 N93 R94D90-S96 PolarHBondContact N-OG 2.94Å; D90-S96 PolarHBondContact O-OG 2.79Å; N93-S96 PolarHBondContact O-N 3.2Å; N93-S96 VanDerWaalsContact O-N 3.08Å; N93-S96 PolarHBondContact O-OG 2.9Å; N93-S96 PolarHBondContact OD1-N 3.17Å; R94-S96 VanDerWaalsContact C-N 3.33Å; R94-S96 PolarHBondContact O-N 2.78Å
97F98.6Very high96.6Very high17 Ų1736.2 Ų36.28%0.07517%0.165CC..Hα-helixtrans-72.9-39.5174178.3-111.8000112.6F89 R94 R95 N99 V100 V133 E137 A138 L141F89-F97 HydrophobicContact CB-CB 4.35Å; F89-F97 AromaticContact CD1-CD2 3.87Å; F89-F97 HydrophobicContact CD1-CD2 3.87Å; F89-F97 HydrophobicContact CD2-CB 3.8Å; F89-F97 AromaticContact CD2-CD2 3.89Å; F89-F97 HydrophobicContact CD2-CD2 3.89Å; F89-F97 HydrophobicContact CD2-CG 4.27Å; F89-F97 AromaticContact CE1-CD2 3.71Å; F89-F97 HydrophobicContact CE1-CD2 3.71Å; F89-F97 HydrophobicContact CE1-CE2 4.08Å; F89-F97 HydrophobicContact CE2-CB 4.28Å; F89-F97 AromaticContact CE2-CD2 3.76Å; F89-F97 HydrophobicContact CE2-CD2 3.76Å; F89-F97 HydrophobicContact CE2-CG 4.32Å; F89-F97 HydrophobicContact CG-CB 4.11Å; F89-F97 AromaticContact CG-CD2 3.94Å; F89-F97 HydrophobicContact CG-CD2 3.94Å; F89-F97 AromaticContact CZ-CD2 3.65Å; F89-F97 HydrophobicContact CZ-CD2 3.65Å; F89-F97 HydrophobicContact CZ-CE2 4.03Å; R94-F97 WeakPolarHBondContact O-CB 3.33Å; R94-F97 PolarHBondContact O-N 2.93Å; R95-F97 PolarHBondContact O-N 2.99Å; F97-N99 VanDerWaalsContact C-N 3.26Å; F97-N99 PolarHBondContact O-N 2.94Å; F97-V100 HydrophobicContact CD2-CG2 4.36Å; F97-V100 VanDerWaalsContact O-CB 3.23Å; F97-V100 WeakPolarHBondContact O-CB 3.3Å; F97-V100 VanDerWaalsContact O-CG2 3.25Å; F97-V100 WeakPolarHBondContact O-CG2 3.33Å; F97-V100 PolarHBondContact O-N 2.7Å; F97-V133 HydrophobicContact CB-CG1 4.34Å; F97-V133 HydrophobicContact CB-CG2 3.64Å; F97-V133 HydrophobicContact CD1-CG1 3.81Å; F97-V133 HydrophobicContact CD1-CG2 4.11Å; F97-V133 HydrophobicContact CD2-CG1 3.83Å; F97-V133 HydrophobicContact CE1-CG1 3.98Å; F97-V133 HydrophobicContact CE2-CG1 4Å; F97-V133 HydrophobicContact CG-CB 4.49Å; F97-V133 HydrophobicContact CG-CG1 3.73Å; F97-V133 HydrophobicContact CG-CG2 3.9Å; F97-V133 HydrophobicContact CZ-CG1 4.06Å; F97-E137 HydrophobicContact CE1-CG 4.02Å; F97-E137 HydrophobicContact CZ-CG 4.05Å; F97-A138 HydrophobicContact CE2-CB 3.97Å; F97-A138 HydrophobicContact CZ-CB 4.41Å; F97-L141 HydrophobicContact CD2-CD2 4.17Å; F97-L141 HydrophobicContact CE1-CD2 4.42Å; F97-L141 HydrophobicContact CE2-CB 4.25Å; F97-L141 HydrophobicContact CE2-CD2 3.43Å; F97-L141 VanDerWaalsContact CE2-CD2 3.43Å; F97-L141 HydrophobicContact CE2-CG 4.47Å; F97-L141 HydrophobicContact CZ-CB 3.97Å; F97-L141 HydrophobicContact CZ-CD2 3.58Å; F97-L141 HydrophobicContact CZ-CG 4.36Å
98Q98Very high96.2Very high121 Ų12141.5 Ų41.557%0.56519%0.185SC*.Hα-helixtrans-61.6-37.1174.8-70.5169-27.800111.8R94 R95 V100R94-Q98 WeakPolarHBondContact O-CG 3.46Å; R94-Q98 PolarHBondContact O-N 3.48Å; R95-Q98 PolarHBondContact O-N 2.86Å; R95-Q98 VanDerWaalsContact O-N 3.17Å; Q98-V100 PolarHBondContact O-N 3.18Å
99N97.4Very high95.7Very high32 Ų3245.4 Ų45.417%0.17121%0.213CC..THydrogen-bonded Turntrans-74.3-7.4179.2-68.1-10.4000114D16 R95 F97 H101 D102 W103D16-N99 PolarHBondContact OD1-ND2 3.45Å; D16-N99 PolarHBondContact OD2-ND2 3.3Å; R95-N99 VanDerWaalsContact O-CG 3.3Å; R95-N99 PolarHBondContact O-N 3.2Å; F97-N99 VanDerWaalsContact C-N 3.26Å; F97-N99 PolarHBondContact O-N 2.94Å; N99-H101 PolarHBondContact O-N 3.28Å; N99-D102 PolarHBondContact O-N 2.73Å; N99-W103 VanDerWaalsContact O-CD1 3.23Å; N99-W103 PolarHBondContact O-N 3.04Å; N99-W103 VanDerWaalsContact O-N 3.14Å
100V97.6Very high94.9Very high1 Ų148.9 Ų48.91%0.00623%0.229CC..Hα-helixtrans-55.2-40.2176.8167.50000111.1L87 F89 F97 Q98 W103 L104 L120 L141L87-V100 HydrophobicContact CD2-CG1 3.64Å; L87-V100 HydrophobicContact CG-CG1 4.16Å; F89-V100 HydrophobicContact CB-CG2 3.99Å; F89-V100 HydrophobicContact CD1-CG2 4.01Å; F89-V100 HydrophobicContact CG-CG2 4.31Å; F97-V100 HydrophobicContact CD2-CG2 4.36Å; F97-V100 VanDerWaalsContact O-CB 3.23Å; F97-V100 WeakPolarHBondContact O-CB 3.3Å; F97-V100 VanDerWaalsContact O-CG2 3.25Å; F97-V100 WeakPolarHBondContact O-CG2 3.33Å; F97-V100 PolarHBondContact O-N 2.7Å; Q98-V100 PolarHBondContact O-N 3.18Å; V100-W103 PolarHBondContact O-N 3.38Å; V100-L104 WeakPolarHBondContact O-CB 3.28Å; V100-L104 PolarHBondContact O-N 2.93Å; V100-L120 HydrophobicContact CG1-CD1 3.63Å; V100-L120 HydrophobicContact CG2-CD1 4.09Å; V100-L141 HydrophobicContact CB-CD2 4.15Å; V100-L141 HydrophobicContact CG1-CD2 3.83Å
101H95.1Very high94.1Very high80 Ų8049.7 Ų49.737%0.3723%0.233SC..Hα-helixtrans-59.2-50.3177.617652.9000111.7N99 W103 L104 E105 Y145N99-H101 PolarHBondContact O-N 3.28Å; H101-W103 VanDerWaalsContact C-N 3.32Å; H101-W103 PolarHBondContact O-N 3.14Å; H101-L104 PolarHBondContact O-N 3.15Å; H101-L104 VanDerWaalsContact O-N 3.13Å; H101-E105 WeakPolarHBondContact CE1-CG 3.4Å; H101-E105 IonicContact CE1-OE1 3.21Å; H101-E105 WeakPolarHBondContact O-CG 3.41Å; H101-E105 PolarHBondContact O-N 3.02Å; H101-Y145 AromaticContact ND1-CZ 3.74Å; H101-Y145 PolarHBondContact ND1-OH 2.89Å
102D94.6Very high92.7Very high80 Ų8057 Ų5743%0.42827%0.268SS..Hα-helixtrans-62.3-40.5-177.9-62.5-19.6000111.9N99 L104 E106N99-D102 PolarHBondContact O-N 2.73Å; D102-L104 VanDerWaalsContact C-N 3.35Å; D102-E106 VanDerWaalsContact O-CB 3.27Å; D102-E106 WeakPolarHBondContact O-CB 3.38Å; D102-E106 PolarHBondContact O-N 2.99Å
103W95Very high91.2Very high1 Ų159.2 Ų59.20%0.00428%0.283CS..Hα-helixtrans-63.2-41.3175.4-80.8109.8000112.2I14 G15 D16 R72 T75 L87 N99 V100 H101 A107I14-W103 HydrophobicContact CB-CE3 4.11Å; I14-W103 HydrophobicContact CB-CZ3 4.4Å; I14-W103 HydrophobicContact CD1-CB 4.39Å; I14-W103 HydrophobicContact CD1-CE3 4.4Å; G15-W103 VanDerWaalsContact C-CE2 3.49Å; G15-W103 VanDerWaalsContact O-CZ2 3.31Å; G15-W103 WeakPolarHBondContact O-CZ2 3.33Å; D16-W103 PolarHBondContact OD1-NE1 2.66Å; R72-W103 HydrophobicContact CG-CH2 4.08Å; R72-W103 HydrophobicContact CG-CZ3 4.39Å; T75-W103 HydrophobicContact CG2-CZ3 4.31Å; L87-W103 HydrophobicContact CD1-CB 3.58Å; L87-W103 HydrophobicContact CD1-CG 4.18Å; N99-W103 VanDerWaalsContact O-CD1 3.23Å; N99-W103 PolarHBondContact O-N 3.04Å; N99-W103 VanDerWaalsContact O-N 3.14Å; V100-W103 PolarHBondContact O-N 3.38Å; H101-W103 VanDerWaalsContact C-N 3.32Å; H101-W103 PolarHBondContact O-N 3.14Å; W103-A107 WeakPolarHBondContact O-CB 3.44Å; W103-A107 PolarHBondContact O-N 3.45Å
104L93.6Very high89.9Confident0 Ų058.6 Ų58.60%028%0.278CS..Hα-helixtrans-68.3-46.1179.8-176.663.3000111.9L87 V100 H101 D102 E106 A107 R108 F118 Y145 M147L87-L104 HydrophobicContact CD2-CB 4.09Å; V100-L104 WeakPolarHBondContact O-CB 3.28Å; V100-L104 PolarHBondContact O-N 2.93Å; H101-L104 PolarHBondContact O-N 3.15Å; H101-L104 VanDerWaalsContact O-N 3.13Å; D102-L104 VanDerWaalsContact C-N 3.35Å; L104-E106 VanDerWaalsContact C-N 3.35Å; L104-A107 PolarHBondContact O-N 3.26Å; L104-R108 HydrophobicContact CD1-CG 4.43Å; L104-R108 WeakPolarHBondContact O-CB 3.48Å; L104-R108 VanDerWaalsContact O-CG 3.3Å; L104-R108 WeakPolarHBondContact O-CG 3.24Å; L104-R108 PolarHBondContact O-N 2.73Å; L104-F118 HydrophobicContact CD1-CD2 3.72Å; L104-F118 HydrophobicContact CD1-CE2 4.03Å; L104-F118 HydrophobicContact CD1-CG 4.34Å; L104-Y145 HydrophobicContact CD2-CD1 3.43Å; L104-Y145 VanDerWaalsContact CD2-CD1 3.43Å; L104-Y145 HydrophobicContact CD2-CD2 3.71Å; L104-Y145 HydrophobicContact CD2-CE1 3.9Å; L104-Y145 HydrophobicContact CD2-CE2 4.12Å; L104-Y145 HydrophobicContact CD2-CG 3.34Å; L104-M147 HydrophobicContact CD1-SD 4.23Å; L104-M147 HydrophobicContact CD2-CE 4.04Å; L104-M147 HydrophobicContact CD2-SD 4.47Å
105E92.3Very high89.3Confident80 Ų8058.6 Ų58.637%0.37429%0.292SS..Hα-helixtrans-65.3-38.6177.6-68.2-55.3133.900111.9H101 R108 S109H101-E105 WeakPolarHBondContact CE1-CG 3.4Å; H101-E105 IonicContact CE1-OE1 3.21Å; H101-E105 WeakPolarHBondContact O-CG 3.41Å; H101-E105 PolarHBondContact O-N 3.02Å; E105-R108 PolarHBondContact O-N 2.92Å; E105-S109 WeakPolarHBondContact O-CB 3.49Å; E105-S109 PolarHBondContact O-N 3.35Å; E105-S109 PolarHBondContact O-OG 2.74Å
106E90.9Very high89.1Confident14 Ų1451.4 Ų51.47%0.06527%0.266CS..Hα-helixtrans-61.4-47173-171.1-175.67900111.3R72 R76 Y79 D102 L104 R108 S109 H110R72-E106 WeakPolarHBondContact CD-OE2 3.44Å; R76-E106 HydrophobicContact CG-CG 4.4Å; R76-E106 IonicContact CZ-OE2 2.66Å; R76-E106 VanDerWaalsContact CZ-OE2 3.24Å; R76-E106 IonicContact NE-OE2 3.3Å; R76-E106 PolarHBondContact NE-OE2 3.27Å; R76-E106 IonicContact NH2-OE2 2.73Å; R76-E106 PolarHBondContact NH2-OE2 2.69Å; Y79-E106 HydrophobicContact CE2-CG 4.06Å; Y79-E106 PolarHBondContact OH-OE1 3.02Å; D102-E106 VanDerWaalsContact O-CB 3.27Å; D102-E106 WeakPolarHBondContact O-CB 3.38Å; D102-E106 PolarHBondContact O-N 2.99Å; L104-E106 VanDerWaalsContact C-N 3.35Å; E106-R108 PolarHBondContact O-N 2.73Å; E106-S109 PolarHBondContact O-N 3.03Å; E106-S109 PolarHBondContact O-OG 3.11Å; E106-H110 PolarHBondContact O-ND1 3.45Å
107A91.3Very high89.1Confident0 Ų052.7 Ų52.70%027%0.274CS..Hα-helixtrans-62.8-45.1178.100000111.7I14 Y79 W103 L104 S109 H110 V111 F118I14-A107 HydrophobicContact CD1-CB 4.27Å; Y79-A107 HydrophobicContact CD1-CB 4.06Å; Y79-A107 HydrophobicContact CE1-CB 3.89Å; Y79-A107 HydrophobicContact CE2-CB 4.48Å; Y79-A107 HydrophobicContact CG-CB 4.46Å; W103-A107 WeakPolarHBondContact O-CB 3.44Å; W103-A107 PolarHBondContact O-N 3.45Å; L104-A107 PolarHBondContact O-N 3.26Å; A107-S109 VanDerWaalsContact C-N 3.29Å; A107-S109 PolarHBondContact O-N 3.1Å; A107-H110 PolarHBondContact O-N 2.71Å; A107-H110 VanDerWaalsContact O-N 3.16Å; A107-V111 WeakPolarHBondContact O-CG1 3.3Å; A107-V111 PolarHBondContact O-N 3.21Å; A107-F118 HydrophobicContact CB-CE2 3.85Å; A107-F118 HydrophobicContact CB-CZ 3.62Å
108R89.6Confident89Confident110 Ų11052.8 Ų52.842%0.41527%0.274SS..Hα-helixtrans-62.7-32.1-179.7-76.2176.8174.7-173.2-3.8113.4L104 E105 E106 H110 V111 Y145L104-R108 HydrophobicContact CD1-CG 4.43Å; L104-R108 WeakPolarHBondContact O-CB 3.48Å; L104-R108 VanDerWaalsContact O-CG 3.3Å; L104-R108 WeakPolarHBondContact O-CG 3.24Å; L104-R108 PolarHBondContact O-N 2.73Å; E105-R108 PolarHBondContact O-N 2.92Å; E106-R108 PolarHBondContact O-N 2.73Å; R108-H110 VanDerWaalsContact C-N 3.27Å; R108-H110 PolarHBondContact O-N 3.27Å; R108-V111 VanDerWaalsContact O-CG2 3.32Å; R108-V111 WeakPolarHBondContact O-CG2 3.45Å; R108-Y145 PolarHBondContact NH2-O 3.35Å
109S87.4Confident89Confident84 Ų8447.1 Ų47.159%0.58725%0.247SC*.Hα-helixtrans-75.6-11.417852.50000114.5E105 E106 A107E105-S109 WeakPolarHBondContact O-CB 3.49Å; E105-S109 PolarHBondContact O-N 3.35Å; E105-S109 PolarHBondContact O-OG 2.74Å; E106-S109 PolarHBondContact O-N 3.03Å; E106-S109 PolarHBondContact O-OG 3.11Å; A107-S109 VanDerWaalsContact C-N 3.29Å; A107-S109 PolarHBondContact O-N 3.1Å
110H82.9Confident89.1Confident73 Ų7345.6 Ų45.634%0.33824%0.239SC..THydrogen-bonded Turntrans-118.28.2-174.3-67.378.9000113.7Y79 E106 A107 R108Y79-H110 HydrophobicContact CD2-CB 3.7Å; Y79-H110 HydrophobicContact CG-CB 4.38Å; E106-H110 PolarHBondContact O-ND1 3.45Å; A107-H110 PolarHBondContact O-N 2.71Å; A107-H110 VanDerWaalsContact O-N 3.16Å; R108-H110 VanDerWaalsContact C-N 3.27Å; R108-H110 PolarHBondContact O-N 3.27Å
111V80.4Confident89.2Confident22 Ų2245.5 Ų45.513%0.13324%0.239CC..  trans-101.8116.7-179.5-700000111.2A107 R108 I116A107-V111 WeakPolarHBondContact O-CG1 3.3Å; A107-V111 PolarHBondContact O-N 3.21Å; R108-V111 VanDerWaalsContact O-CG2 3.32Å; R108-V111 WeakPolarHBondContact O-CG2 3.45Å; V111-I116 HydrophobicContact CG1-CD1 3.43Å; V111-I116 VanDerWaalsContact CG1-CD1 3.43Å; V111-I116 HydrophobicContact CG1-CG1 3.59Å
112Q70.3Confident89.3Confident155 Ų15541.7 Ų41.772%0.72422%0.221SC*.  trans-141.3131.7163.4-65.7-176.43.500106.3
113P66.8Low89.5Confident68 Ų6838.1 Ų38.144%0.44220%0.202SC..SBendcis-100.3-14.216.826.9-16.2000115.6
114H72Confident89.7Confident35 Ų3540.4 Ų40.416%0.16221%0.212CC..SBendtrans-119.2146.5-177.2-66.153.6000110.4Q183 W186H114-Q183 PolarHBondContact CE1-NE2 2.87Å; H114-Q183 VanDerWaalsContact CE1-NE2 3.34Å; H114-W186 HydrophobicContact CB-CH2 4.24Å; H114-W186 HydrophobicContact CB-CZ2 4.29Å
115S86.1Confident89.9Confident92 Ų9241.2 Ų41.264%0.64322%0.217SC*.  trans-68.6140.1170.9-57.80000110.7V117S115-V117 PolarHBondContact O-N 3.44Å
116I93.7Very high90.2Very high14 Ų1438.7 Ų38.77%0.07221%0.206CC..  trans-66.3131.8173.3-66.9163.8000109.3I12 Y79 S82 V111 F118I12-I116 HydrophobicContact CG2-CD1 4.42Å; Y79-I116 HydrophobicContact CD1-CD1 4.2Å; S82-I116 WeakPolarHBondContact O-CG1 3.32Å; V111-I116 HydrophobicContact CG1-CD1 3.43Å; V111-I116 VanDerWaalsContact CG1-CD1 3.43Å; V111-I116 HydrophobicContact CG1-CG1 3.59Å; I116-F118 HydrophobicContact CB-CD2 4.02Å; I116-F118 HydrophobicContact CB-CE2 3.54Å; I116-F118 HydrophobicContact CB-CZ 3.92Å; I116-F118 HydrophobicContact CD1-CE2 4.26Å; I116-F118 HydrophobicContact CD1-CZ 3.99Å; I116-F118 HydrophobicContact CG2-CD1 4.13Å; I116-F118 HydrophobicContact CG2-CD2 3.8Å; I116-F118 HydrophobicContact CG2-CE1 3.86Å; I116-F118 HydrophobicContact CG2-CE2 3.53Å; I116-F118 HydrophobicContact CG2-CG 4.1Å; I116-F118 HydrophobicContact CG2-CZ 3.55Å; I116-F118 WeakPolarHBondContact O-CD2 3.31Å; I116-F118 PolarHBondContact O-N 3.24Å
117V96.8Very high90.6Very high28 Ų2839.9 Ų39.917%0.1721%0.213CC..EExtended strand (participates in β ladder)trans-75.8113169.8-175.80000108.5V83 G84 G85 S115 L167 D170 I171 L174 I180V83-V117 PolarHBondContact O-N 2.64Å; G84-V117 CarbonylContact C-O 3.49Å; G84-V117 WeakPolarHBondContact CA-O 3.39Å; G85-V117 PolarHBondContact N-O 2.69Å; S115-V117 PolarHBondContact O-N 3.44Å; V117-L167 HydrophobicContact CB-CD1 4.32Å; V117-L167 HydrophobicContact CG1-CD1 3.93Å; V117-L167 WeakPolarHBondContact O-CD1 3.4Å; V117-D170 HydrophobicContact CG1-CB 4.21Å; V117-I171 HydrophobicContact CB-CG1 3.94Å; V117-I171 HydrophobicContact CG1-CG1 4.25Å; V117-I171 HydrophobicContact CG2-CG1 4.08Å; V117-L174 HydrophobicContact CG2-CD1 3.57Å; V117-I180 HydrophobicContact CG2-CD1 3.8Å
118F97.6Very high90.9Very high18 Ų1844.6 Ų44.68%0.07924%0.235CC..EExtended strand (participates in β ladder)trans-103.4139.1-177.5-80.3-73.8000113.2I14 G85 L87 L104 A107 I116 M147I14-F118 HydrophobicContact CD1-CE1 3.64Å; I14-F118 HydrophobicContact CD1-CZ 3.83Å; I14-F118 HydrophobicContact CG1-CE1 4.06Å; G85-F118 WeakPolarHBondContact O-CA 3.21Å; G85-F118 WeakPolarHBondContact O-CD1 3.45Å; L87-F118 HydrophobicContact CB-CD1 4.13Å; L104-F118 HydrophobicContact CD1-CD2 3.72Å; L104-F118 HydrophobicContact CD1-CE2 4.03Å; L104-F118 HydrophobicContact CD1-CG 4.34Å; A107-F118 HydrophobicContact CB-CE2 3.85Å; A107-F118 HydrophobicContact CB-CZ 3.62Å; I116-F118 HydrophobicContact CB-CD2 4.02Å; I116-F118 HydrophobicContact CB-CE2 3.54Å; I116-F118 HydrophobicContact CB-CZ 3.92Å; I116-F118 HydrophobicContact CD1-CE2 4.26Å; I116-F118 HydrophobicContact CD1-CZ 3.99Å; I116-F118 HydrophobicContact CG2-CD1 4.13Å; I116-F118 HydrophobicContact CG2-CD2 3.8Å; I116-F118 HydrophobicContact CG2-CE1 3.86Å; I116-F118 HydrophobicContact CG2-CE2 3.53Å; I116-F118 HydrophobicContact CG2-CG 4.1Å; I116-F118 HydrophobicContact CG2-CZ 3.55Å; I116-F118 WeakPolarHBondContact O-CD2 3.31Å; I116-F118 PolarHBondContact O-N 3.24Å; F118-M147 HydrophobicContact CB-CG 4.01Å; F118-M147 HydrophobicContact CB-SD 3.41Å; F118-M147 WeakPolarHBondContact CB-SD 3.34Å; F118-M147 HydrophobicContact CG-SD 4.37Å
119L98.6Very high91.3Very high2 Ų245.7 Ų45.71%0.0126%0.256CS..EExtended strand (participates in β ladder)trans-107.1124.3162.8-177.469.8000108.8G85 L87 V121 R148 V150 A163 L167G85-L119 PolarHBondContact O-N 3.15Å; L87-L119 PolarHBondContact N-O 2.93Å; L119-V121 HydrophobicContact CD2-CG2 4.21Å; L119-V121 HydrophobicContact CG-CG2 4.22Å; L119-R148 HydrophobicContact CD1-CB 3.57Å; L119-V150 HydrophobicContact CD1-CG2 4.09Å; L119-V150 HydrophobicContact CD2-CG2 4.21Å; L119-A163 HydrophobicContact CD2-CB 3.85Å; L119-A163 VanDerWaalsContact CD2-O 3.3Å; L119-A163 WeakPolarHBondContact CD2-O 3.49Å; L119-L167 HydrophobicContact CB-CB 4.44Å; L119-L167 HydrophobicContact CB-CD1 4.44Å; L119-L167 HydrophobicContact CD2-CB 4.48Å
120L98.8Very high91.8Very high0 Ų047.3 Ų47.30%026%0.255CS..EExtended strand (participates in β ladder)trans-78.4130.5172.1-174.767.9000109.3L87 F89 V100 A142 M147 R148 Y149 V150L87-L120 HydrophobicContact CB-CD1 4.46Å; L87-L120 HydrophobicContact CD2-CD1 4.4Å; L87-L120 HydrophobicContact CG-CD1 4.13Å; F89-L120 HydrophobicContact CD1-CD1 3.94Å; F89-L120 HydrophobicContact CD1-CG 4.3Å; F89-L120 HydrophobicContact CE1-CD1 4.05Å; F89-L120 HydrophobicContact CE1-CD2 4.04Å; F89-L120 HydrophobicContact CE1-CG 3.91Å; V100-L120 HydrophobicContact CG1-CD1 3.63Å; V100-L120 HydrophobicContact CG2-CD1 4.09Å; L120-A142 HydrophobicContact CB-CB 4.19Å; L120-A142 HydrophobicContact CD2-CB 3.86Å; L120-M147 HydrophobicContact CB-CE 4.25Å; L120-M147 HydrophobicContact CD1-CE 4.49Å; L120-R148 WeakPolarHBondContact CB-O 3.44Å; L120-R148 PolarHBondContact N-O 2.86Å; L120-Y149 HydrophobicContact CB-CD2 4.05Å; L120-Y149 HydrophobicContact CD2-CD2 3.82Å; L120-Y149 HydrophobicContact CD2-CE2 4.33Å; L120-Y149 HydrophobicContact CG-CD2 3.81Å; L120-Y149 HydrophobicContact CG-CE2 4.3Å; L120-Y149 WeakPolarHBondContact O-CA 3.19Å; L120-Y149 WeakPolarHBondContact O-CD2 3.46Å; L120-V150 PolarHBondContact O-N 2.97Å
121V98.9Very high92.5Very high0 Ų046.4 Ų46.40%025%0.248CC..EExtended strand (participates in β ladder)trans-124.1116.2-176.5-178.20000110.9L24 L86 L87 L88 F89 L119 H123 V150 T152L24-V121 HydrophobicContact CD2-CG1 4.39Å; L86-V121 HydrophobicContact CB-CG2 4.16Å; L86-V121 HydrophobicContact CD2-CG2 3.99Å; L86-V121 HydrophobicContact CG-CG2 4.49Å; L87-V121 PolarHBondContact O-N 3.15Å; L88-V121 WeakPolarHBondContact CA-O 3.41Å; L88-V121 HydrophobicContact CD1-CB 3.83Å; L88-V121 HydrophobicContact CD1-CG1 4.31Å; L88-V121 HydrophobicContact CD1-CG2 4.06Å; L88-V121 HydrophobicContact CG-CB 3.89Å; L88-V121 HydrophobicContact CG-CG1 4.05Å; F89-V121 WeakPolarHBondContact CD1-O 3.42Å; F89-V121 PolarHBondContact N-O 3.35Å; L119-V121 HydrophobicContact CD2-CG2 4.21Å; L119-V121 HydrophobicContact CG-CG2 4.22Å; V121-H123 PolarHBondContact O-N 3.12Å; V121-V150 VanDerWaalsContact CA-O 3.3Å; V121-V150 WeakPolarHBondContact CA-O 3.49Å; V121-T152 HydrophobicContact CG1-CG2 3.85Å; V121-T152 WeakPolarHBondContact CG1-OG1 3.32Å
122G98.8Very high93.4Very high0 Ų050.4 Ų50.40%027%0.266CS..EExtended strand (participates in β ladder)trans-85.8102.6167.200000109.4Y149 V150 E151 T152G122-Y149 VanDerWaalsContact N-CE2 3.34Å; G122-V150 PolarHBondContact N-O 3.47Å; G122-E151 CarbonylContact O-C 3.55Å; G122-E151 WeakPolarHBondContact O-CA 3.45Å; G122-T152 PolarHBondContact O-N 3.4Å
123H98.8Very high94.8Very high5 Ų543 Ų432%0.02323%0.231CC..EExtended strand (participates in β ladder)trans-90.2162.9-176-158.757.8000112.5V19 F89 I91 V121 T152 A154V19-H123 PolarHBondContact O-CD2 3.42Å; F89-H123 WeakPolarHBondContact O-CB 3.48Å; F89-H123 PolarHBondContact O-N 3.3Å; I91-H123 WeakPolarHBondContact CG2-O 3.27Å; I91-H123 PolarHBondContact N-O 3.28Å; V121-H123 PolarHBondContact O-N 3.12Å; H123-T152 CarbonylContact C-O 3.57Å; H123-T152 WeakPolarHBondContact CA-O 3.48Å; H123-T152 PolarHBondContact ND1-O 2.57Å; H123-T152 PolarHBondContact ND1-OG1 3.49Å; H123-A154 PolarHBondContact CE1-N 2.94Å
124K98.4Very high96.3Very high49 Ų4943 Ų4321%0.21323%0.23CC..  trans64.936.9-178.6-46.2-171.6-1661640113.7T18 V19 D90 D126 L127 T152T18-K124 WeakPolarHBondContact O-CE 3.38Å; T18-K124 PolarHBondContact O-NZ 3.19Å; V19-K124 WeakPolarHBondContact O-CE 3.44Å; D90-K124 WeakPolarHBondContact OD2-CD 3.44Å; D90-K124 VanDerWaalsContact OD2-CE 3.28Å; D90-K124 WeakPolarHBondContact OD2-CE 3.49Å; D90-K124 IonicContact OD2-NZ 2.69Å; D90-K124 PolarHBondContact OD2-NZ 3.37Å; K124-D126 VanDerWaalsContact CA-OD1 3.32Å; K124-D126 WeakPolarHBondContact CA-OD1 3.3Å; K124-D126 PolarHBondContact O-N 3.43Å; K124-L127 HydrophobicContact CB-CD1 4.17Å; K124-L127 HydrophobicContact CB-CG 4.48Å; K124-L127 HydrophobicContact CD-CD1 4.24Å; K124-L127 WeakPolarHBondContact O-CB 3.49Å; K124-L127 PolarHBondContact O-N 2.61Å; K124-T152 PolarHBondContact N-O 3.37Å
125C98.5Very high97.5Very high16 Ų1647.7 Ų47.711%0.10825%0.246CC..G310 helixtrans-61.7-1517766.70000114.1I91 L127 E128 E151 T152I91-C125 HydrophobicContact CD1-CB 4.35Å; C125-L127 PolarHBondContact O-N 2.95Å; C125-E128 PolarHBondContact O-N 3.15Å; C125-E151 HydrophobicContact CB-CB 4.01Å; C125-T152 PolarHBondContact N-O 3.35Å; C125-T152 PolarHBondContact SG-O 2.64Å; C125-T152 VanDerWaalsContact SG-O 3.42Å
126D98.3Very high98.1Very high27 Ų2750.7 Ų50.714%0.14425%0.25CC..G310 helixtrans-68-8.9170.362.5-90.4000114.9K124 S153 R155 D156K124-D126 VanDerWaalsContact CA-OD1 3.32Å; K124-D126 WeakPolarHBondContact CA-OD1 3.3Å; K124-D126 PolarHBondContact O-N 3.43Å; D126-S153 VanDerWaalsContact CB-OG 3.3Å; D126-S153 WeakPolarHBondContact CB-OG 3.18Å; D126-S153 WeakPolarHBondContact OD1-CB 3.35Å; D126-S153 PolarHBondContact OD1-OG 2.9Å; D126-R155 VanDerWaalsContact CB-NH2 3.34Å; D126-R155 PolarHBondContact O-NH2 3.38Å; D126-R155 IonicContact OD2-CZ 2.85Å; D126-R155 IonicContact OD2-NE 3.8Å; D126-R155 PolarHBondContact OD2-NE 2.96Å; D126-R155 IonicContact OD2-NH1 2.7Å; D126-R155 PolarHBondContact OD2-NH1 3.48Å; D126-R155 IonicContact OD2-NH2 3.91Å; D126-R155 PolarHBondContact OD2-NH2 2.84Å; D126-D156 HydrophobicContact CB-CB 4.37Å; D126-D156 VanDerWaalsContact CB-OD2 3.23Å; D126-D156 WeakPolarHBondContact CB-OD2 3.32Å
127L97.8Very high98.4Very high40 Ų4052.2 Ų52.221%0.20926%0.257CS..G310 helixtrans-10637.4174.5-60.6178.2000111.9T92 K124 C125 P129 Q130T92-L127 HydrophobicContact CG2-CB 3.54Å; T92-L127 HydrophobicContact CG2-CD1 4.01Å; T92-L127 HydrophobicContact CG2-CG 4.43Å; K124-L127 HydrophobicContact CB-CD1 4.17Å; K124-L127 HydrophobicContact CB-CG 4.48Å; K124-L127 HydrophobicContact CD-CD1 4.24Å; K124-L127 WeakPolarHBondContact O-CB 3.49Å; K124-L127 PolarHBondContact O-N 2.61Å; C125-L127 PolarHBondContact O-N 2.95Å; L127-P129 VanDerWaalsContact C-N 3.3Å; L127-P129 VanDerWaalsContact O-N 3.13Å; L127-Q130 WeakPolarHBondContact O-CA 3.26Å; L127-Q130 PolarHBondContact O-N 2.96Å
128E97.6Very high98.4Very high98 Ų9850.9 Ų50.946%0.45825%0.248SC..G310 helixtrans-45.4-42.5-179.6-168.962-154.300114.7C125 Q130 R131C125-E128 PolarHBondContact O-N 3.15Å; E128-Q130 PolarHBondContact O-N 2.87Å; E128-Q130 VanDerWaalsContact O-N 3.07Å; E128-R131 VanDerWaalsContact O-CB 3.23Å; E128-R131 WeakPolarHBondContact O-CB 3.37Å; E128-R131 PolarHBondContact O-N 3.05Å; E128-R131 VanDerWaalsContact O-N 3.08Å; E128-R131 IonicContact OE1-CZ 3.47Å; E128-R131 IonicContact OE1-NE 2.86Å; E128-R131 PolarHBondContact OE1-NE 2.94Å; E128-R131 IonicContact OE1-NH2 3.21Å; E128-R131 IonicContact OE2-CZ 2.8Å; E128-R131 VanDerWaalsContact OE2-CZ 3.27Å; E128-R131 IonicContact OE2-NE 3.25Å; E128-R131 PolarHBondContact OE2-NE 3.2Å; E128-R131 IonicContact OE2-NH2 3.45Å; E128-R131 PolarHBondContact OE2-NH2 3.49Å
129P98.3Very high98.5Very high133 Ų13353.9 Ų53.986%0.86426%0.263SS*.G310 helixtrans-63.5-16.1178.3-22.835.6000114.9L127L127-P129 VanDerWaalsContact C-N 3.3Å; L127-P129 VanDerWaalsContact O-N 3.13Å
130Q98.4Very high98.5Very high118 Ų11861.9 Ų61.955%0.55130%0.298SS*.G310 helixtrans-1058.5179.9-57.7177.927.100112.3T92 L127 E128 Q132T92-Q130 WeakPolarHBondContact CA-O 3.47Å; T92-Q130 WeakPolarHBondContact CB-O 3.3Å; T92-Q130 HydrophobicContact CG2-CB 3.76Å; L127-Q130 WeakPolarHBondContact O-CA 3.26Å; L127-Q130 PolarHBondContact O-N 2.96Å; E128-Q130 PolarHBondContact O-N 2.87Å; E128-Q130 VanDerWaalsContact O-N 3.07Å; Q130-Q132 PolarHBondContact O-N 2.96Å
131R98.6Very high98.5Very high55 Ų5563.8 Ų63.821%0.20831%0.308CS..  trans-57.6130.1-177.1179.7-179.4-72.7-91.27.1111.7I91 E128 V133 E151I91-R131 HydrophobicContact CD1-CB 4.29Å; I91-R131 HydrophobicContact CD1-CG 4.32Å; E128-R131 VanDerWaalsContact O-CB 3.23Å; E128-R131 WeakPolarHBondContact O-CB 3.37Å; E128-R131 PolarHBondContact O-N 3.05Å; E128-R131 VanDerWaalsContact O-N 3.08Å; E128-R131 IonicContact OE1-CZ 3.47Å; E128-R131 IonicContact OE1-NE 2.86Å; E128-R131 PolarHBondContact OE1-NE 2.94Å; E128-R131 IonicContact OE1-NH2 3.21Å; E128-R131 IonicContact OE2-CZ 2.8Å; E128-R131 VanDerWaalsContact OE2-CZ 3.27Å; E128-R131 IonicContact OE2-NE 3.25Å; E128-R131 PolarHBondContact OE2-NE 3.2Å; E128-R131 IonicContact OE2-NH2 3.45Å; E128-R131 PolarHBondContact OE2-NH2 3.49Å; R131-V133 VanDerWaalsContact CD-O 3.23Å; R131-V133 WeakPolarHBondContact CD-O 3.38Å; R131-V133 WeakPolarHBondContact CG-O 3.3Å; R131-V133 PolarHBondContact NH1-O 3.22Å; R131-E151 IonicContact CZ-OE1 2.64Å; R131-E151 IonicContact CZ-OE2 2.59Å; R131-E151 IonicContact NH1-OE1 3.64Å; R131-E151 PolarHBondContact NH1-OE1 3.08Å; R131-E151 IonicContact NH1-OE2 3.75Å; R131-E151 VanDerWaalsContact NH2-CD 3.28Å; R131-E151 IonicContact NH2-OE1 3.78Å; R131-E151 PolarHBondContact NH2-OE1 2.94Å; R131-E151 VanDerWaalsContact NH2-OE1 3.09Å; R131-E151 IonicContact NH2-OE2 3.24Å; R131-E151 PolarHBondContact NH2-OE2 3.04Å
132Q98.8Very high98.4Very high106 Ų10663.9 Ų63.950%0.49531%0.308SS..  trans-116.2-9.2173.9-59.6-176.78.100112.9I91 T92 R94 Q130I91-Q132 PolarHBondContact O-N 3.38Å; T92-Q132 PolarHBondContact O-NE2 2.85Å; T92-Q132 PolarHBondContact O-OE1 3.23Å; R94-Q132 HydrophobicContact CB-CB 4.22Å; R94-Q132 PolarHBondContact NH1-O 2.84Å; R94-Q132 VanDerWaalsContact NH1-O 3.08Å; Q130-Q132 PolarHBondContact O-N 2.96Å
133V98.7Very high98.4Very high0 Ų066.5 Ų66.50%034%0.335CS..SBendtrans-127.5118.4179.6-175.20000108.6F89 I91 F97 R131 E137 A138F89-V133 HydrophobicContact CE2-CB 3.98Å; F89-V133 HydrophobicContact CE2-CG1 3.75Å; F89-V133 HydrophobicContact CE2-CG2 4.24Å; F89-V133 HydrophobicContact CZ-CG1 4.13Å; I91-V133 PolarHBondContact O-N 2.98Å; F97-V133 HydrophobicContact CB-CG1 4.34Å; F97-V133 HydrophobicContact CB-CG2 3.64Å; F97-V133 HydrophobicContact CD1-CG1 3.81Å; F97-V133 HydrophobicContact CD1-CG2 4.11Å; F97-V133 HydrophobicContact CD2-CG1 3.83Å; F97-V133 HydrophobicContact CE1-CG1 3.98Å; F97-V133 HydrophobicContact CE2-CG1 4Å; F97-V133 HydrophobicContact CG-CB 4.49Å; F97-V133 HydrophobicContact CG-CG1 3.73Å; F97-V133 HydrophobicContact CG-CG2 3.9Å; F97-V133 HydrophobicContact CZ-CG1 4.06Å; R131-V133 VanDerWaalsContact CD-O 3.23Å; R131-V133 WeakPolarHBondContact CD-O 3.38Å; R131-V133 WeakPolarHBondContact CG-O 3.3Å; R131-V133 PolarHBondContact NH1-O 3.22Å; V133-E137 WeakPolarHBondContact CA-OE1 3.43Å; V133-E137 HydrophobicContact CG1-CG 3.77Å; V133-A138 HydrophobicContact CG1-CB 4.35Å
134T98.6Very high98.3Very high68 Ų6870.2 Ų70.242%0.41737%0.367SS..  trans-71.7151.8178.162.80000111Q136 E137 A138T134-Q136 VanDerWaalsContact C-N 3.27Å; T134-Q136 PolarHBondContact O-N 2.95Å; T134-E137 PolarHBondContact N-OE1 3.13Å; T134-E137 WeakPolarHBondContact O-CG 3.48Å; T134-E137 PolarHBondContact O-N 3.03Å; T134-E137 VanDerWaalsContact OG1-CG 3.29Å; T134-E137 WeakPolarHBondContact OG1-CG 3.39Å; T134-E137 PolarHBondContact OG1-N 3.01Å; T134-E137 PolarHBondContact OG1-OE1 2.8Å; T134-E137 VanDerWaalsContact OG1-OE1 3.08Å; T134-A138 PolarHBondContact O-N 3.14Å
135R98.4Very high98.2Very high132 Ų13270.5 Ų70.550%0.49837%0.367SS..Hα-helixtrans-58.3-42.2172.7175.5164.2179.7147.45.3111.9E137 A138 E139 Y149R135-E137 PolarHBondContact O-N 3.43Å; R135-A138 PolarHBondContact O-N 2.76Å; R135-E139 HydrophobicContact CG-CG 4.19Å; R135-E139 WeakPolarHBondContact CG-OE1 3.44Å; R135-E139 IonicContact CZ-OE1 3.62Å; R135-E139 IonicContact NE-OE1 2.65Å; R135-E139 PolarHBondContact NE-OE1 3.21Å; R135-E139 IonicContact NH2-OE1 3.61Å; R135-E139 PolarHBondContact NH2-OE1 3.01Å; R135-E139 WeakPolarHBondContact O-CB 3.29Å; R135-E139 WeakPolarHBondContact O-CG 3.33Å; R135-E139 PolarHBondContact O-N 3Å; R135-Y149 HydrophobicContact CG-CE1 4.14Å
136Q98.6Very high98Very high155 Ų15573.2 Ų73.272%0.72440%0.398SS*.Hα-helixtrans-61-43.4-177.6-172.2-177.915.100113T134 K140T134-Q136 VanDerWaalsContact C-N 3.27Å; T134-Q136 PolarHBondContact O-N 2.95Å; Q136-K140 WeakPolarHBondContact O-CB 3.49Å; Q136-K140 PolarHBondContact O-N 2.91Å
137E98.4Very high97.9Very high46 Ų4672.8 Ų72.822%0.21540%0.395CS..Hα-helixtrans-71.9-33.4179.376-172.1118.400112.3R94 F97 V133 T134 R135 K140 L141R94-E137 IonicContact CZ-OE1 3.25Å; R94-E137 IonicContact CZ-OE2 3.15Å; R94-E137 IonicContact NH1-OE1 3.08Å; R94-E137 PolarHBondContact NH1-OE1 2.91Å; R94-E137 IonicContact NH1-OE2 3.02Å; R94-E137 PolarHBondContact NH1-OE2 3.3Å; R94-E137 IonicContact NH2-OE2 2.69Å; R94-E137 PolarHBondContact NH2-OE2 2.96Å; F97-E137 HydrophobicContact CE1-CG 4.02Å; F97-E137 HydrophobicContact CZ-CG 4.05Å; V133-E137 WeakPolarHBondContact CA-OE1 3.43Å; V133-E137 HydrophobicContact CG1-CG 3.77Å; T134-E137 PolarHBondContact N-OE1 3.13Å; T134-E137 WeakPolarHBondContact O-CG 3.48Å; T134-E137 PolarHBondContact O-N 3.03Å; T134-E137 VanDerWaalsContact OG1-CG 3.29Å; T134-E137 WeakPolarHBondContact OG1-CG 3.39Å; T134-E137 PolarHBondContact OG1-N 3.01Å; T134-E137 PolarHBondContact OG1-OE1 2.8Å; T134-E137 VanDerWaalsContact OG1-OE1 3.08Å; R135-E137 PolarHBondContact O-N 3.43Å; E137-K140 PolarHBondContact O-N 2.64Å; E137-L141 PolarHBondContact O-N 2.84Å
138A98.6Very high97.9Very high0 Ų075.3 Ų75.30%040%0.402CS..Hα-helixtrans-68.9-41.8175.700000111.8F89 F97 V133 T134 R135 K140 L141 A142 Y149F89-A138 HydrophobicContact CE1-CB 4.31Å; F89-A138 HydrophobicContact CZ-CB 3.75Å; F97-A138 HydrophobicContact CE2-CB 3.97Å; F97-A138 HydrophobicContact CZ-CB 4.41Å; V133-A138 HydrophobicContact CG1-CB 4.35Å; T134-A138 PolarHBondContact O-N 3.14Å; R135-A138 PolarHBondContact O-N 2.76Å; A138-K140 VanDerWaalsContact C-N 3.33Å; A138-K140 PolarHBondContact O-N 3.41Å; A138-L141 PolarHBondContact O-N 3.34Å; A138-A142 WeakPolarHBondContact O-CB 3.27Å; A138-A142 PolarHBondContact O-N 3.43Å; A138-Y149 HydrophobicContact CB-CD1 4.24Å; A138-Y149 HydrophobicContact CB-CD2 4.14Å; A138-Y149 HydrophobicContact CB-CE1 3.72Å; A138-Y149 HydrophobicContact CB-CE2 3.64Å; A138-Y149 HydrophobicContact CB-CG 4.4Å
139E98.6Very high97.9Very high82 Ų8271.9 Ų71.938%0.38339%0.385SS..Hα-helixtrans-61.4-41.8172.3-73.4174.2165.800111.4R135 A142 G143 Y149R135-E139 HydrophobicContact CG-CG 4.19Å; R135-E139 WeakPolarHBondContact CG-OE1 3.44Å; R135-E139 IonicContact CZ-OE1 3.62Å; R135-E139 IonicContact NE-OE1 2.65Å; R135-E139 PolarHBondContact NE-OE1 3.21Å; R135-E139 IonicContact NH2-OE1 3.61Å; R135-E139 PolarHBondContact NH2-OE1 3.01Å; R135-E139 WeakPolarHBondContact O-CB 3.29Å; R135-E139 WeakPolarHBondContact O-CG 3.33Å; R135-E139 PolarHBondContact O-N 3Å; E139-A142 PolarHBondContact O-N 2.84Å; E139-G143 PolarHBondContact O-N 2.81Å; E139-Y149 HydrophobicContact CG-CD1 3.56Å; E139-Y149 HydrophobicContact CG-CE1 4.33Å; E139-Y149 HydrophobicContact CG-CG 4.31Å
140K98.6Very high98Very high170 Ų17066 Ų6674%0.73935%0.346SS*.Hα-helixtrans-62-43.9175.5-174179.4179.5-178.50111.9Q136 E137 A138 G143 A144Q136-K140 WeakPolarHBondContact O-CB 3.49Å; Q136-K140 PolarHBondContact O-N 2.91Å; E137-K140 PolarHBondContact O-N 2.64Å; A138-K140 VanDerWaalsContact C-N 3.33Å; A138-K140 PolarHBondContact O-N 3.41Å; K140-G143 PolarHBondContact O-N 2.96Å; K140-A144 PolarHBondContact O-N 3.23Å
141L98.3Very high98Very high40 Ų4061.3 Ų61.321%0.20932%0.324CS..Hα-helixtrans-64.2-45.8177-171.571.5000111.3F97 V100 E137 A138 G143 A144 Y145F97-L141 HydrophobicContact CD2-CD2 4.17Å; F97-L141 HydrophobicContact CE1-CD2 4.42Å; F97-L141 HydrophobicContact CE2-CB 4.25Å; F97-L141 HydrophobicContact CE2-CD2 3.43Å; F97-L141 VanDerWaalsContact CE2-CD2 3.43Å; F97-L141 HydrophobicContact CE2-CG 4.47Å; F97-L141 HydrophobicContact CZ-CB 3.97Å; F97-L141 HydrophobicContact CZ-CD2 3.58Å; F97-L141 HydrophobicContact CZ-CG 4.36Å; V100-L141 HydrophobicContact CB-CD2 4.15Å; V100-L141 HydrophobicContact CG1-CD2 3.83Å; E137-L141 PolarHBondContact O-N 2.84Å; A138-L141 PolarHBondContact O-N 3.34Å; L141-G143 VanDerWaalsContact C-N 3.35Å; L141-G143 PolarHBondContact O-N 3.29Å; L141-A144 PolarHBondContact O-N 3.17Å; L141-Y145 HydrophobicContact CD1-CD2 4.19Å; L141-Y145 HydrophobicContact CD1-CE2 3.55Å; L141-Y145 HydrophobicContact CG-CD2 4.07Å; L141-Y145 HydrophobicContact CG-CE2 3.85Å; L141-Y145 VanDerWaalsContact O-CD2 3.27Å; L141-Y145 WeakPolarHBondContact O-CD2 3.45Å; L141-Y145 PolarHBondContact O-N 2.96Å
142A98.1Very high98Very high2 Ų258.7 Ų58.72%0.01732%0.315CS..Hα-helixtrans-58.8-47.5177.300000111.2L120 A138 E139 A144 Y145 G146 M147L120-A142 HydrophobicContact CB-CB 4.19Å; L120-A142 HydrophobicContact CD2-CB 3.86Å; A138-A142 WeakPolarHBondContact O-CB 3.27Å; A138-A142 PolarHBondContact O-N 3.43Å; E139-A142 PolarHBondContact O-N 2.84Å; A142-A144 VanDerWaalsContact C-N 3.35Å; A142-A144 PolarHBondContact O-N 2.76Å; A142-Y145 CarbonylContact O-C 3.3Å; A142-Y145 PolarHBondContact O-N 3.44Å; A142-Y145 VanDerWaalsContact O-N 3.1Å; A142-G146 PolarHBondContact O-N 2.94Å; A142-M147 CarbonylContact C-O 3.51Å; A142-M147 VanDerWaalsContact C-O 3.3Å; A142-M147 HydrophobicContact CB-CB 4.32Å; A142-M147 WeakPolarHBondContact CB-O 3.21Å; A142-M147 PolarHBondContact O-N 3.1Å
143G97.9Very high98Very high55 Ų5553.6 Ų53.657%0.56729%0.291SS*.Hα-helixtrans-59.2-41.3176.500000113.2E139 K140 L141 Y145 G146E139-G143 PolarHBondContact O-N 2.81Å; K140-G143 PolarHBondContact O-N 2.96Å; L141-G143 VanDerWaalsContact C-N 3.35Å; L141-G143 PolarHBondContact O-N 3.29Å; G143-Y145 PolarHBondContact O-N 3.46Å; G143-G146 PolarHBondContact O-N 3.44Å; G143-G146 VanDerWaalsContact O-N 3.14Å
144A97.3Very high97.9Very high82 Ų8253.6 Ų53.668%0.67829%0.291SS*.Hα-helixtrans-61.8-28.2176.900000113.3K140 L141 A142K140-A144 PolarHBondContact O-N 3.23Å; L141-A144 PolarHBondContact O-N 3.17Å; A142-A144 VanDerWaalsContact C-N 3.35Å; A142-A144 PolarHBondContact O-N 2.76Å
145Y95.5Very high97.9Very high55 Ų5554.9 Ų54.922%0.21629%0.288CS..THydrogen-bonded Turntrans-99.31.9177.4-68.7-56.2000114.5H101 L104 R108 L141 A142 G143 M147H101-Y145 AromaticContact ND1-CZ 3.74Å; H101-Y145 PolarHBondContact ND1-OH 2.89Å; L104-Y145 HydrophobicContact CD2-CD1 3.43Å; L104-Y145 VanDerWaalsContact CD2-CD1 3.43Å; L104-Y145 HydrophobicContact CD2-CD2 3.71Å; L104-Y145 HydrophobicContact CD2-CE1 3.9Å; L104-Y145 HydrophobicContact CD2-CE2 4.12Å; L104-Y145 HydrophobicContact CD2-CG 3.34Å; R108-Y145 PolarHBondContact NH2-O 3.35Å; L141-Y145 HydrophobicContact CD1-CD2 4.19Å; L141-Y145 HydrophobicContact CD1-CE2 3.55Å; L141-Y145 HydrophobicContact CG-CD2 4.07Å; L141-Y145 HydrophobicContact CG-CE2 3.85Å; L141-Y145 VanDerWaalsContact O-CD2 3.27Å; L141-Y145 WeakPolarHBondContact O-CD2 3.45Å; L141-Y145 PolarHBondContact O-N 2.96Å; A142-Y145 CarbonylContact O-C 3.3Å; A142-Y145 PolarHBondContact O-N 3.44Å; A142-Y145 VanDerWaalsContact O-N 3.1Å; G143-Y145 PolarHBondContact O-N 3.46Å; Y145-M147 VanDerWaalsContact C-N 3.3Å; Y145-M147 HydrophobicContact CD2-CE 3.89Å; Y145-M147 HydrophobicContact CG-CE 4.16Å
146G95.1Very high97.8Very high74 Ų7452.4 Ų52.476%0.76329%0.285SS*.THydrogen-bonded Turntrans69.626.2-176.300000113.7A142 G143A142-G146 PolarHBondContact O-N 2.94Å; G143-G146 PolarHBondContact O-N 3.44Å; G143-G146 VanDerWaalsContact O-N 3.14Å
147M96.3Very high97.8Very high17 Ų1747.8 Ų47.88%0.08427%0.273CS..  trans-102.7153.6176.9-59.5-174.8-69.200110.6L87 L104 F118 L120 A142 Y145L87-M147 HydrophobicContact CD2-CE 4.43Å; L104-M147 HydrophobicContact CD1-SD 4.23Å; L104-M147 HydrophobicContact CD2-CE 4.04Å; L104-M147 HydrophobicContact CD2-SD 4.47Å; F118-M147 HydrophobicContact CB-CG 4.01Å; F118-M147 HydrophobicContact CB-SD 3.41Å; F118-M147 WeakPolarHBondContact CB-SD 3.34Å; F118-M147 HydrophobicContact CG-SD 4.37Å; L120-M147 HydrophobicContact CB-CE 4.25Å; L120-M147 HydrophobicContact CD1-CE 4.49Å; A142-M147 CarbonylContact C-O 3.51Å; A142-M147 VanDerWaalsContact C-O 3.3Å; A142-M147 HydrophobicContact CB-CB 4.32Å; A142-M147 WeakPolarHBondContact CB-O 3.21Å; A142-M147 PolarHBondContact O-N 3.1Å; Y145-M147 VanDerWaalsContact C-N 3.3Å; Y145-M147 HydrophobicContact CD2-CE 3.89Å; Y145-M147 HydrophobicContact CG-CE 4.16Å
148R97.1Very high97.8Very high94 Ų9448.8 Ų48.836%0.35528%0.279SS..EExtended strand (participates in β ladder)trans-81.7162.3163.4-65.3-164.1-75.9174.9-9.2110.6L119 L120 E166 D170L119-R148 HydrophobicContact CD1-CB 3.57Å; L120-R148 WeakPolarHBondContact CB-O 3.44Å; L120-R148 PolarHBondContact N-O 2.86Å; R148-E166 WeakPolarHBondContact CD-OE1 3.38Å; R148-E166 IonicContact CZ-OE1 3.54Å; R148-E166 IonicContact NE-OE1 2.69Å; R148-E166 PolarHBondContact NE-OE1 2.71Å; R148-E166 IonicContact NH1-OE1 3.37Å; R148-E166 PolarHBondContact NH1-OE1 3.09Å; R148-E166 PolarHBondContact NH2-O 3.43Å; R148-E166 IonicContact NH2-OE1 3.33Å; R148-D170 IonicContact CZ-OD1 2.66Å; R148-D170 VanDerWaalsContact CZ-OD1 3.24Å; R148-D170 IonicContact CZ-OD2 3.09Å; R148-D170 IonicContact NE-OD1 2.73Å; R148-D170 IonicContact NE-OD2 3.27Å; R148-D170 PolarHBondContact NE-OD2 2.98Å; R148-D170 IonicContact NH2-OD1 3.78Å; R148-D170 PolarHBondContact NH2-OD1 2.87Å; R148-D170 IonicContact NH2-OD2 2.71Å; R148-D170 PolarHBondContact NH2-OD2 3Å
149Y98.7Very high97.8Very high25 Ų2552.2 Ų52.210%0.09830%0.297CS..EExtended strand (participates in β ladder)trans-128.1132.5179.3177.9-115.8000111.9F89 L120 G122 R135 A138 E139 E151F89-Y149 HydrophobicContact CE1-CD2 4.49Å; F89-Y149 AromaticContact CE1-CE2 3.66Å; F89-Y149 HydrophobicContact CE1-CE2 3.66Å; F89-Y149 AromaticContact CZ-CE2 3.7Å; F89-Y149 HydrophobicContact CZ-CE2 3.7Å; F89-Y149 WeakPolarHBondContact CZ-OH 3.03Å; L120-Y149 HydrophobicContact CB-CD2 4.05Å; L120-Y149 HydrophobicContact CD2-CD2 3.82Å; L120-Y149 HydrophobicContact CD2-CE2 4.33Å; L120-Y149 HydrophobicContact CG-CD2 3.81Å; L120-Y149 HydrophobicContact CG-CE2 4.3Å; L120-Y149 WeakPolarHBondContact O-CA 3.19Å; L120-Y149 WeakPolarHBondContact O-CD2 3.46Å; G122-Y149 VanDerWaalsContact N-CE2 3.34Å; R135-Y149 HydrophobicContact CG-CE1 4.14Å; A138-Y149 HydrophobicContact CB-CD1 4.24Å; A138-Y149 HydrophobicContact CB-CD2 4.14Å; A138-Y149 HydrophobicContact CB-CE1 3.72Å; A138-Y149 HydrophobicContact CB-CE2 3.64Å; A138-Y149 HydrophobicContact CB-CG 4.4Å; E139-Y149 HydrophobicContact CG-CD1 3.56Å; E139-Y149 HydrophobicContact CG-CE1 4.33Å; E139-Y149 HydrophobicContact CG-CG 4.31Å; Y149-E151 HydrophobicContact CE1-CG 3.69Å; Y149-E151 WeakPolarHBondContact OH-CG 2.81Å; Y149-E151 PolarHBondContact OH-OE1 2.83Å
150V98.7Very high97.8Very high9 Ų948.6 Ų48.66%0.05528%0.281CS..EExtended strand (participates in β ladder)trans-134.7136.3175.1178.10000110.1L119 L120 V121 G122 T152 N159 A163 E166L119-V150 HydrophobicContact CD1-CG2 4.09Å; L119-V150 HydrophobicContact CD2-CG2 4.21Å; L120-V150 PolarHBondContact O-N 2.97Å; V121-V150 VanDerWaalsContact CA-O 3.3Å; V121-V150 WeakPolarHBondContact CA-O 3.49Å; G122-V150 PolarHBondContact N-O 3.47Å; V150-T152 HydrophobicContact CG1-CG2 3.87Å; V150-N159 HydrophobicContact CG1-CB 3.81Å; V150-A163 HydrophobicContact CG1-CB 4.33Å; V150-E166 WeakPolarHBondContact CG2-OE2 3.38Å
151E98.8Very high97.8Very high20 Ų2044.4 Ų44.49%0.09326%0.264CS..EExtended strand (participates in β ladder)trans-92.1133.5167.9-72.5-172.417500110.9G122 C125 R131 Y149 N159G122-E151 CarbonylContact O-C 3.55Å; G122-E151 WeakPolarHBondContact O-CA 3.45Å; C125-E151 HydrophobicContact CB-CB 4.01Å; R131-E151 IonicContact CZ-OE1 2.64Å; R131-E151 IonicContact CZ-OE2 2.59Å; R131-E151 IonicContact NH1-OE1 3.64Å; R131-E151 PolarHBondContact NH1-OE1 3.08Å; R131-E151 IonicContact NH1-OE2 3.75Å; R131-E151 VanDerWaalsContact NH2-CD 3.28Å; R131-E151 IonicContact NH2-OE1 3.78Å; R131-E151 PolarHBondContact NH2-OE1 2.94Å; R131-E151 VanDerWaalsContact NH2-OE1 3.09Å; R131-E151 IonicContact NH2-OE2 3.24Å; R131-E151 PolarHBondContact NH2-OE2 3.04Å; Y149-E151 HydrophobicContact CE1-CG 3.69Å; Y149-E151 WeakPolarHBondContact OH-CG 2.81Å; Y149-E151 PolarHBondContact OH-OE1 2.83Å; E151-N159 VanDerWaalsContact O-CB 3.26Å; E151-N159 WeakPolarHBondContact O-CB 3.49Å; E151-N159 PolarHBondContact O-ND2 3.41Å
152T98.8Very high97.8Very high0 Ų046.7 Ų46.70%027%0.273CS..EExtended strand (participates in β ladder)trans-132.4152.6-175.158.90000112.9L24 V121 G122 H123 K124 C125 V150 I158 N159 A163L24-T152 HydrophobicContact CD1-CG2 4.45Å; V121-T152 HydrophobicContact CG1-CG2 3.85Å; V121-T152 WeakPolarHBondContact CG1-OG1 3.32Å; G122-T152 PolarHBondContact O-N 3.4Å; H123-T152 CarbonylContact C-O 3.57Å; H123-T152 WeakPolarHBondContact CA-O 3.48Å; H123-T152 PolarHBondContact ND1-O 2.57Å; H123-T152 PolarHBondContact ND1-OG1 3.49Å; K124-T152 PolarHBondContact N-O 3.37Å; C125-T152 PolarHBondContact N-O 3.35Å; C125-T152 PolarHBondContact SG-O 2.64Å; C125-T152 VanDerWaalsContact SG-O 3.42Å; V150-T152 HydrophobicContact CG1-CG2 3.87Å; T152-I158 VanDerWaalsContact CA-O 3.3Å; T152-I158 WeakPolarHBondContact CA-O 3.38Å; T152-N159 HydrophobicContact CG2-CB 4.07Å; T152-A163 HydrophobicContact CG2-CB 3.97Å
153S98.6Very high97.8Very high0 Ų046.6 Ų46.60%027%0.272CS..BIsolated β-bridgetrans-129.9118.9167.8176.50000110.3D126 R155 D156 A157 I158 V160D126-S153 VanDerWaalsContact CB-OG 3.3Å; D126-S153 WeakPolarHBondContact CB-OG 3.18Å; D126-S153 WeakPolarHBondContact OD1-CB 3.35Å; D126-S153 PolarHBondContact OD1-OG 2.9Å; S153-R155 VanDerWaalsContact C-N 3.31Å; S153-R155 PolarHBondContact OG-N 3.48Å; S153-D156 PolarHBondContact OG-N 2.78Å; S153-A157 CarbonylContact O-C 3.46Å; S153-A157 WeakPolarHBondContact O-CA 3.44Å; S153-A157 PolarHBondContact O-N 3.36Å; S153-I158 PolarHBondContact N-O 3.34Å; S153-I158 PolarHBondContact O-N 3.48Å; S153-I158 VanDerWaalsContact O-N 3.07Å; S153-V160 VanDerWaalsContact O-CG2 3.23Å; S153-V160 WeakPolarHBondContact O-CG2 3.35Å
154A97.8Very high97.8Very high0 Ų044 Ų440%025%0.245CC..THydrogen-bonded Turntrans-71.1-31.816900000111C23 R27 F33 H123C23-A154 HydrophobicContact CB-CB 3.88Å; R27-A154 HydrophobicContact CB-CB 4.14Å; R27-A154 PolarHBondContact NE-O 3.48Å; R27-A154 PolarHBondContact NH2-O 2.79Å; F33-A154 HydrophobicContact CD2-CB 3.93Å; F33-A154 HydrophobicContact CE2-CB 4.24Å; H123-A154 PolarHBondContact CE1-N 2.94Å
155R97.1Very high97.8Very high94 Ų9440.7 Ų40.736%0.35522%0.217SC..THydrogen-bonded Turntrans-64.2-55.5179.8-169.9-174.376.8-162.411110.8R27 F33 D126 S153R27-R155 PolarHBondContact NH2-O 2.63Å; F33-R155 HydrophobicContact CD1-CG 4.35Å; F33-R155 HydrophobicContact CD2-CB 4.48Å; F33-R155 HydrophobicContact CE1-CB 4.29Å; F33-R155 HydrophobicContact CE1-CG 4Å; F33-R155 HydrophobicContact CE2-CB 4.17Å; F33-R155 HydrophobicContact CZ-CB 4.07Å; F33-R155 HydrophobicContact CZ-CG 4.21Å; D126-R155 VanDerWaalsContact CB-NH2 3.34Å; D126-R155 PolarHBondContact O-NH2 3.38Å; D126-R155 IonicContact OD2-CZ 2.85Å; D126-R155 IonicContact OD2-NE 3.8Å; D126-R155 PolarHBondContact OD2-NE 2.96Å; D126-R155 IonicContact OD2-NH1 2.7Å; D126-R155 PolarHBondContact OD2-NH1 3.48Å; D126-R155 IonicContact OD2-NH2 3.91Å; D126-R155 PolarHBondContact OD2-NH2 2.84Å; S153-R155 VanDerWaalsContact C-N 3.31Å; S153-R155 PolarHBondContact OG-N 3.48Å
156D97.8Very high97.9Very high81 Ų8139 Ų3943%0.43321%0.211SC..THydrogen-bonded Turntrans-97.26.7-171.8-61.2-4.6000112.1D126 S153 I158D126-D156 HydrophobicContact CB-CB 4.37Å; D126-D156 VanDerWaalsContact CB-OD2 3.23Å; D126-D156 WeakPolarHBondContact CB-OD2 3.32Å; S153-D156 PolarHBondContact OG-N 2.78Å; D156-I158 HydrophobicContact CB-CD1 3.9Å; D156-I158 HydrophobicContact CB-CG1 3.94Å; D156-I158 PolarHBondContact O-N 3.16Å
157A97.9Very high98Very high57 Ų5735.5 Ų35.547%0.47118%0.175SC..THydrogen-bonded Turntrans57.425.2-178.500000114.7S153 N159S153-A157 CarbonylContact O-C 3.46Å; S153-A157 WeakPolarHBondContact O-CA 3.44Å; S153-A157 PolarHBondContact O-N 3.36Å; A157-N159 PolarHBondContact O-N 2.86Å
158I98.6Very high98.1Very high68 Ų6834.7 Ų34.735%0.34917%0.171SC..BIsolated β-bridgetrans-73.5124-179.8-58.3170.1000109.6T152 S153 D156 V160T152-I158 VanDerWaalsContact CA-O 3.3Å; T152-I158 WeakPolarHBondContact CA-O 3.38Å; S153-I158 PolarHBondContact N-O 3.34Å; S153-I158 PolarHBondContact O-N 3.48Å; S153-I158 VanDerWaalsContact O-N 3.07Å; D156-I158 HydrophobicContact CB-CD1 3.9Å; D156-I158 HydrophobicContact CB-CG1 3.94Å; D156-I158 PolarHBondContact O-N 3.16Å; I158-V160 PolarHBondContact O-N 2.79Å
159N98.6Very high98.2Very high71 Ų7135.1 Ų35.138%0.3817%0.173SC..THydrogen-bonded Turntrans54.214.3174.8-63.8-30.4000116.2V150 E151 T152 A157 H162 A163V150-N159 HydrophobicContact CG1-CB 3.81Å; E151-N159 VanDerWaalsContact O-CB 3.26Å; E151-N159 WeakPolarHBondContact O-CB 3.49Å; E151-N159 PolarHBondContact O-ND2 3.41Å; T152-N159 HydrophobicContact CG2-CB 4.07Å; A157-N159 PolarHBondContact O-N 2.86Å; N159-H162 HydrophobicContact CB-CB 4.17Å; N159-H162 WeakPolarHBondContact O-CB 3.49Å; N159-H162 PolarHBondContact O-N 3.5Å; N159-A163 PolarHBondContact O-N 3.09Å
160V98.5Very high98.1Very high6 Ų636.3 Ų36.34%0.03618%0.181CC..Hα-helixtrans-62.3-53.5-179.5177.70000110.3L24 R27 F28 S153 I158 H162 A163 F164L24-V160 HydrophobicContact CD1-CB 4.24Å; L24-V160 HydrophobicContact CD1-CG1 3.88Å; L24-V160 HydrophobicContact CD1-CG2 3.83Å; R27-V160 HydrophobicContact CB-CG1 4.34Å; R27-V160 HydrophobicContact CG-CB 4.36Å; R27-V160 HydrophobicContact CG-CG1 4.05Å; R27-V160 HydrophobicContact CG-CG2 3.99Å; F28-V160 HydrophobicContact CB-CG1 3.68Å; F28-V160 HydrophobicContact CD2-CG1 4.44Å; S153-V160 VanDerWaalsContact O-CG2 3.23Å; S153-V160 WeakPolarHBondContact O-CG2 3.35Å; I158-V160 PolarHBondContact O-N 2.79Å; V160-H162 VanDerWaalsContact C-N 3.26Å; V160-H162 PolarHBondContact O-N 2.9Å; V160-A163 PolarHBondContact O-N 2.93Å; V160-F164 WeakPolarHBondContact O-CD2 3.44Å
161E97.8Very high98Very high82 Ų8235.9 Ų35.938%0.38318%0.178SC..Hα-helixtrans-60.7-39.5176.1-163.572.7-178.900111.8F28 R48 T165F28-E161 WeakPolarHBondContact CD2-OE2 3.25Å; F28-E161 WeakPolarHBondContact CE2-OE2 3.27Å; R48-E161 IonicContact CZ-OE1 2.73Å; R48-E161 IonicContact CZ-OE2 2.71Å; R48-E161 IonicContact NH1-OE1 3.33Å; R48-E161 IonicContact NH1-OE2 3.09Å; R48-E161 PolarHBondContact NH1-OE2 3.42Å; R48-E161 IonicContact NH2-OE1 3.24Å; R48-E161 PolarHBondContact NH2-OE1 2.84Å; R48-E161 IonicContact NH2-OE2 3.02Å; R48-E161 PolarHBondContact NH2-OE2 2.53Å; E161-T165 WeakPolarHBondContact O-CB 3.45Å; E161-T165 PolarHBondContact O-N 3.4Å; E161-T165 PolarHBondContact O-OG1 3.07Å
162H98.1Very high97.9Very high88 Ų8835.2 Ų35.241%0.40718%0.175SC..Hα-helixtrans-60.7-49.7-177.8-175.9-101.3000111.1N159 V160 F164 T165 E166N159-H162 HydrophobicContact CB-CB 4.17Å; N159-H162 WeakPolarHBondContact O-CB 3.49Å; N159-H162 PolarHBondContact O-N 3.5Å; V160-H162 VanDerWaalsContact C-N 3.26Å; V160-H162 PolarHBondContact O-N 2.9Å; H162-F164 PolarHBondContact O-N 2.73Å; H162-T165 PolarHBondContact O-N 2.78Å; H162-E166 IonicContact CE1-OE2 2.75Å; H162-E166 PolarHBondContact CE1-OE2 3.04Å; H162-E166 IonicContact ND1-OE2 3.43Å; H162-E166 PolarHBondContact ND1-OE2 2.85Å; H162-E166 VanDerWaalsContact ND1-OE2 3.15Å; H162-E166 IonicContact NE2-OE2 2.81Å; H162-E166 WeakPolarHBondContact O-CB 3.22Å; H162-E166 PolarHBondContact O-N 3.11Å
163A98.5Very high97.8Very high0 Ų039.5 Ų39.50%020%0.195CC..Hα-helixtrans-57.5-46.7-178.400000112.7L86 L119 V150 T152 N159 V160 L167L86-A163 HydrophobicContact CD2-CB 4.17Å; L119-A163 HydrophobicContact CD2-CB 3.85Å; L119-A163 VanDerWaalsContact CD2-O 3.3Å; L119-A163 WeakPolarHBondContact CD2-O 3.49Å; V150-A163 HydrophobicContact CG1-CB 4.33Å; T152-A163 HydrophobicContact CG2-CB 3.97Å; N159-A163 PolarHBondContact O-N 3.09Å; V160-A163 PolarHBondContact O-N 2.93Å; A163-L167 WeakPolarHBondContact O-CB 3.1Å; A163-L167 PolarHBondContact O-N 2.83Å; A163-L167 VanDerWaalsContact O-N 3.15Å
164F98.4Very high97.6Very high0 Ų042.1 Ų42.10%021%0.208CC..Hα-helixtrans-70-41.6178.6-72.8-83.7000112.2L11 L24 I25 F28 L60 I62 L86 V160 H162 T168L11-F164 HydrophobicContact CD1-CD1 4.2Å; L24-F164 HydrophobicContact CD2-CE2 4.33Å; L24-F164 HydrophobicContact CG-CE2 4.03Å; L24-F164 HydrophobicContact CG-CZ 4.4Å; I25-F164 HydrophobicContact CG1-CZ 4.32Å; F28-F164 HydrophobicContact CB-CD2 3.81Å; F28-F164 HydrophobicContact CB-CE2 3.53Å; F28-F164 HydrophobicContact CB-CZ 4.23Å; F28-F164 HydrophobicContact CD1-CD1 4.06Å; F28-F164 AromaticContact CD1-CD2 3.77Å; F28-F164 HydrophobicContact CD1-CD2 3.77Å; F28-F164 HydrophobicContact CD1-CE1 4.17Å; F28-F164 AromaticContact CD1-CE2 3.91Å; F28-F164 HydrophobicContact CD1-CE2 3.91Å; F28-F164 AromaticContact CD1-CG 3.86Å; F28-F164 HydrophobicContact CD1-CG 3.86Å; F28-F164 HydrophobicContact CD1-CZ 4.11Å; F28-F164 HydrophobicContact CD2-CB 4.07Å; F28-F164 AromaticContact CD2-CD2 3.46Å; F28-F164 HydrophobicContact CD2-CD2 3.46Å; F28-F164 VanDerWaalsContact CD2-CD2 3.46Å; F28-F164 HydrophobicContact CD2-CE2 4.12Å; F28-F164 AromaticContact CD2-CG 3.91Å; F28-F164 HydrophobicContact CD2-CG 3.91Å; F28-F164 HydrophobicContact CE1-CB 4.11Å; F28-F164 AromaticContact CE1-CD1 3.99Å; F28-F164 HydrophobicContact CE1-CD1 3.99Å; F28-F164 HydrophobicContact CE1-CD2 4.19Å; F28-F164 HydrophobicContact CE1-CE1 4.49Å; F28-F164 AromaticContact CE1-CG 3.84Å; F28-F164 HydrophobicContact CE1-CG 3.84Å; F28-F164 HydrophobicContact CE2-CB 3.6Å; F28-F164 AromaticContact CE2-CD2 3.91Å; F28-F164 HydrophobicContact CE2-CD2 3.91Å; F28-F164 AromaticContact CE2-CG 3.88Å; F28-F164 HydrophobicContact CE2-CG 3.88Å; F28-F164 HydrophobicContact CG-CD1 4.5Å; F28-F164 AromaticContact CG-CD2 3.38Å; F28-F164 HydrophobicContact CG-CD2 3.38Å; F28-F164 AromaticContact CG-CE2 3.58Å; F28-F164 HydrophobicContact CG-CE2 3.58Å; F28-F164 AromaticContact CG-CG 3.9Å; F28-F164 HydrophobicContact CG-CG 3.9Å; F28-F164 HydrophobicContact CG-CZ 4.23Å; F28-F164 HydrophobicContact CZ-CB 3.61Å; F28-F164 HydrophobicContact CZ-CD1 4.37Å; F28-F164 HydrophobicContact CZ-CD2 4.25Å; F28-F164 AromaticContact CZ-CG 3.84Å; F28-F164 HydrophobicContact CZ-CG 3.84Å; L60-F164 HydrophobicContact CD1-CB 4.39Å; I62-F164 HydrophobicContact CD1-CD1 4.14Å; I62-F164 HydrophobicContact CD1-CE1 3.84Å; I62-F164 HydrophobicContact CG2-CE1 4.36Å; L86-F164 HydrophobicContact CD1-CD1 3.91Å; L86-F164 HydrophobicContact CD1-CE1 3.54Å; L86-F164 HydrophobicContact CD1-CZ 4.2Å; L86-F164 HydrophobicContact CD2-CD1 4.38Å; L86-F164 HydrophobicContact CD2-CE1 4.14Å; L86-F164 HydrophobicContact CD2-CE2 4.36Å; L86-F164 HydrophobicContact CD2-CZ 4.12Å; V160-F164 WeakPolarHBondContact O-CD2 3.44Å; H162-F164 PolarHBondContact O-N 2.73Å; F164-T168 WeakPolarHBondContact O-CB 3.21Å; F164-T168 PolarHBondContact O-N 2.93Å; F164-T168 PolarHBondContact O-OG1 3.49Å
165T97.3Very high97.5Very high13 Ų1343 Ų438%0.0821%0.214CC..Hα-helixtrans-68.1-39.1-179.6-51.70000111.4I52 E161 H162 T168 R169I52-T165 HydrophobicContact CG2-CG2 4.32Å; E161-T165 WeakPolarHBondContact O-CB 3.45Å; E161-T165 PolarHBondContact O-N 3.4Å; E161-T165 PolarHBondContact O-OG1 3.07Å; H162-T165 PolarHBondContact O-N 2.78Å; T165-T168 PolarHBondContact O-N 2.92Å; T165-R169 WeakPolarHBondContact O-CG 3.46Å; T165-R169 PolarHBondContact O-N 2.84Å
166E97Very high97.4Very high21 Ų2145.6 Ų45.610%0.09822%0.224CC..Hα-helixtrans-62.5-51.8177.3-176.2172.8-174.500111.2R148 V150 H162 T168 R169 D170R148-E166 WeakPolarHBondContact CD-OE1 3.38Å; R148-E166 IonicContact CZ-OE1 3.54Å; R148-E166 IonicContact NE-OE1 2.69Å; R148-E166 PolarHBondContact NE-OE1 2.71Å; R148-E166 IonicContact NH1-OE1 3.37Å; R148-E166 PolarHBondContact NH1-OE1 3.09Å; R148-E166 PolarHBondContact NH2-O 3.43Å; R148-E166 IonicContact NH2-OE1 3.33Å; V150-E166 WeakPolarHBondContact CG2-OE2 3.38Å; H162-E166 IonicContact CE1-OE2 2.75Å; H162-E166 PolarHBondContact CE1-OE2 3.04Å; H162-E166 IonicContact ND1-OE2 3.43Å; H162-E166 PolarHBondContact ND1-OE2 2.85Å; H162-E166 VanDerWaalsContact ND1-OE2 3.15Å; H162-E166 IonicContact NE2-OE2 2.81Å; H162-E166 WeakPolarHBondContact O-CB 3.22Å; H162-E166 PolarHBondContact O-N 3.11Å; E166-T168 VanDerWaalsContact C-N 3.3Å; E166-T168 PolarHBondContact O-N 2.81Å; E166-R169 PolarHBondContact O-N 2.87Å; E166-D170 PolarHBondContact O-N 2.95Å; E166-D170 VanDerWaalsContact O-N 3.12Å
167L98.5Very high97.3Very high0 Ų045.3 Ų45.30%023%0.228CC..Hα-helixtrans-59.1-41.8174.3176.559.5000111.9L11 L86 V117 L119 A163 R169 D170 I171L11-L167 HydrophobicContact CD1-CD2 4.28Å; L11-L167 HydrophobicContact CD2-CD2 4.13Å; L86-L167 HydrophobicContact CD1-CD2 3.77Å; L86-L167 HydrophobicContact CG-CD2 4Å; V117-L167 HydrophobicContact CB-CD1 4.32Å; V117-L167 HydrophobicContact CG1-CD1 3.93Å; V117-L167 WeakPolarHBondContact O-CD1 3.4Å; L119-L167 HydrophobicContact CB-CB 4.44Å; L119-L167 HydrophobicContact CB-CD1 4.44Å; L119-L167 HydrophobicContact CD2-CB 4.48Å; A163-L167 WeakPolarHBondContact O-CB 3.1Å; A163-L167 PolarHBondContact O-N 2.83Å; A163-L167 VanDerWaalsContact O-N 3.15Å; L167-R169 VanDerWaalsContact C-N 3.32Å; L167-R169 PolarHBondContact O-N 3.47Å; L167-D170 PolarHBondContact O-N 2.91Å; L167-I171 HydrophobicContact CD1-CD1 3.88Å; L167-I171 HydrophobicContact CD1-CG1 4.28Å; L167-I171 HydrophobicContact CG-CD1 3.86Å; L167-I171 WeakPolarHBondContact O-CD1 3.2Å; L167-I171 WeakPolarHBondContact O-CG1 3.42Å; L167-I171 PolarHBondContact O-N 2.87Å; L167-I171 VanDerWaalsContact O-N 3.15Å
168T98.3Very high97.1Very high0 Ų044.5 Ų44.50%023%0.225CC..Hα-helixtrans-61.8-40.7178.2-56.20000111.6F9 V50 I52 I58 L60 F164 T165 E166 F172F9-T168 HydrophobicContact CD2-CG2 3.99Å; F9-T168 HydrophobicContact CE2-CG2 3.95Å; V50-T168 HydrophobicContact CG2-CG2 3.85Å; I52-T168 HydrophobicContact CG2-CG2 3.59Å; I58-T168 HydrophobicContact CB-CG2 3.85Å; I58-T168 HydrophobicContact CG1-CG2 3.96Å; I58-T168 HydrophobicContact CG2-CG2 3.8Å; L60-T168 HydrophobicContact CD2-CG2 4.02Å; L60-T168 WeakPolarHBondContact CD2-OG1 3.46Å; F164-T168 WeakPolarHBondContact O-CB 3.21Å; F164-T168 PolarHBondContact O-N 2.93Å; F164-T168 PolarHBondContact O-OG1 3.49Å; T165-T168 PolarHBondContact O-N 2.92Å; E166-T168 VanDerWaalsContact C-N 3.3Å; E166-T168 PolarHBondContact O-N 2.81Å; T168-F172 VanDerWaalsContact O-CB 3.26Å; T168-F172 WeakPolarHBondContact O-CB 3.2Å; T168-F172 PolarHBondContact O-N 3.34Å
169R97.4Very high96.8Very high103 Ų10346.5 Ų46.539%0.38924%0.237SC..Hα-helixtrans-64.3-42.4176.9-77.1179.7-168.8135.22.3111.9I52 T165 E166 L167 F172 Q173I52-R169 HydrophobicContact CB-CG 3.9Å; I52-R169 HydrophobicContact CG2-CG 3.97Å; I52-R169 PolarHBondContact O-NE 3Å; I52-R169 VanDerWaalsContact O-NE 3.15Å; I52-R169 PolarHBondContact O-NH2 2.95Å; T165-R169 WeakPolarHBondContact O-CG 3.46Å; T165-R169 PolarHBondContact O-N 2.84Å; E166-R169 PolarHBondContact O-N 2.87Å; L167-R169 VanDerWaalsContact C-N 3.32Å; L167-R169 PolarHBondContact O-N 3.47Å; R169-F172 PolarHBondContact O-N 3.46Å; R169-Q173 WeakPolarHBondContact O-CG 3.5Å; R169-Q173 PolarHBondContact O-N 2.83Å
170D96.7Very high96.6Very high49 Ų4943.5 Ų43.526%0.26222%0.221SC..Hα-helixtrans-59.4-51177.3-76.6-17000111.9V117 R148 E166 L167 F172 Q173 L174V117-D170 HydrophobicContact CG1-CB 4.21Å; R148-D170 IonicContact CZ-OD1 2.66Å; R148-D170 VanDerWaalsContact CZ-OD1 3.24Å; R148-D170 IonicContact CZ-OD2 3.09Å; R148-D170 IonicContact NE-OD1 2.73Å; R148-D170 IonicContact NE-OD2 3.27Å; R148-D170 PolarHBondContact NE-OD2 2.98Å; R148-D170 IonicContact NH2-OD1 3.78Å; R148-D170 PolarHBondContact NH2-OD1 2.87Å; R148-D170 IonicContact NH2-OD2 2.71Å; R148-D170 PolarHBondContact NH2-OD2 3Å; E166-D170 PolarHBondContact O-N 2.95Å; E166-D170 VanDerWaalsContact O-N 3.12Å; L167-D170 PolarHBondContact O-N 2.91Å; D170-F172 VanDerWaalsContact C-N 3.26Å; D170-F172 PolarHBondContact O-N 2.75Å; D170-Q173 PolarHBondContact O-N 3.07Å; D170-Q173 VanDerWaalsContact O-N 3.15Å; D170-L174 WeakPolarHBondContact O-CG 3.18Å; D170-L174 PolarHBondContact O-N 2.96Å
171I97.5Very high96.3Very high0 Ų046.2 Ų46.20%024%0.237CC..Hα-helixtrans-60.4-42.6179.3-62.2158.7000109.8F9 L11 V83 V117 L167 Q173 L174 V175F9-I171 HydrophobicContact CD1-CG2 4.13Å; F9-I171 HydrophobicContact CD2-CB 4.09Å; F9-I171 HydrophobicContact CD2-CD1 4.42Å; F9-I171 HydrophobicContact CD2-CG2 3.77Å; F9-I171 HydrophobicContact CE1-CG2 3.97Å; F9-I171 HydrophobicContact CE2-CB 3.85Å; F9-I171 HydrophobicContact CE2-CG2 3.59Å; F9-I171 HydrophobicContact CG-CG2 4.06Å; F9-I171 HydrophobicContact CZ-CB 4.36Å; F9-I171 HydrophobicContact CZ-CG2 3.71Å; L11-I171 HydrophobicContact CD2-CD1 3.73Å; V83-I171 HydrophobicContact CB-CG2 4.47Å; V83-I171 HydrophobicContact CG1-CD1 4.28Å; V83-I171 HydrophobicContact CG1-CG2 4Å; V83-I171 HydrophobicContact CG2-CG2 3.59Å; V117-I171 HydrophobicContact CB-CG1 3.94Å; V117-I171 HydrophobicContact CG1-CG1 4.25Å; V117-I171 HydrophobicContact CG2-CG1 4.08Å; L167-I171 HydrophobicContact CD1-CD1 3.88Å; L167-I171 HydrophobicContact CD1-CG1 4.28Å; L167-I171 HydrophobicContact CG-CD1 3.86Å; L167-I171 WeakPolarHBondContact O-CD1 3.2Å; L167-I171 WeakPolarHBondContact O-CG1 3.42Å; L167-I171 PolarHBondContact O-N 2.87Å; L167-I171 VanDerWaalsContact O-N 3.15Å; I171-Q173 PolarHBondContact O-N 2.77Å; I171-L174 PolarHBondContact O-N 3.15Å; I171-V175 HydrophobicContact CG2-CG2 4.35Å; I171-V175 VanDerWaalsContact O-CG2 3.3Å; I171-V175 WeakPolarHBondContact O-CG2 3.22Å; I171-V175 PolarHBondContact O-N 3.36Å
172F96.8Very high96Very high6 Ų646.4 Ų46.43%0.02624%0.24CC..Hα-helixtrans-60.8-41.6177.2178.2-105.8000112.7L6 Y7 F9 I52 K56 I58 T168 R169 D170 V175 R176L6-F172 HydrophobicContact CD1-CE2 4.13Å; L6-F172 HydrophobicContact CD1-CZ 4.34Å; Y7-F172 AromaticContact CD2-CD2 3.97Å; Y7-F172 HydrophobicContact CD2-CD2 3.97Å; Y7-F172 HydrophobicContact CD2-CE2 4.01Å; Y7-F172 HydrophobicContact CE2-CD2 4.08Å; Y7-F172 AromaticContact CE2-CE2 3.84Å; Y7-F172 HydrophobicContact CE2-CE2 3.84Å; F9-F172 HydrophobicContact CE2-CB 4.26Å; F9-F172 HydrophobicContact CZ-CB 4.27Å; I52-F172 HydrophobicContact CD1-CB 3.82Å; I52-F172 HydrophobicContact CD1-CD1 3.41Å; I52-F172 VanDerWaalsContact CD1-CD1 3.41Å; I52-F172 HydrophobicContact CD1-CD2 3.85Å; I52-F172 HydrophobicContact CD1-CE1 3.8Å; I52-F172 HydrophobicContact CD1-CE2 4.21Å; I52-F172 HydrophobicContact CD1-CG 3.41Å; I52-F172 VanDerWaalsContact CD1-CG 3.41Å; I52-F172 HydrophobicContact CD1-CZ 4.18Å; K56-F172 HydrophobicContact CD-CE1 4.32Å; K56-F172 HydrophobicContact CD-CZ 4Å; I58-F172 HydrophobicContact CD1-CD2 3.99Å; I58-F172 HydrophobicContact CD1-CE2 4.34Å; T168-F172 VanDerWaalsContact O-CB 3.26Å; T168-F172 WeakPolarHBondContact O-CB 3.2Å; T168-F172 PolarHBondContact O-N 3.34Å; R169-F172 PolarHBondContact O-N 3.46Å; D170-F172 VanDerWaalsContact C-N 3.26Å; D170-F172 PolarHBondContact O-N 2.75Å; F172-V175 PolarHBondContact O-N 3.2Å; F172-R176 HydrophobicContact CD1-CG 4.45Å; F172-R176 HydrophobicContact CE1-CG 4.14Å; F172-R176 HydrophobicContact CE2-CG 4.28Å; F172-R176 VanDerWaalsContact CZ-CD 3.49Å; F172-R176 HydrophobicContact CZ-CG 4.05Å; F172-R176 WeakPolarHBondContact O-CG 3.23Å; F172-R176 PolarHBondContact O-N 3.19Å
173Q96.1Very high95.6Very high90 Ų9045.7 Ų45.742%0.42124%0.237SC..Hα-helixtrans-65.3-41.1176.5-66.1-56-23.400111.8R169 D170 I171 V175 R176 S177R169-Q173 WeakPolarHBondContact O-CG 3.5Å; R169-Q173 PolarHBondContact O-N 2.83Å; D170-Q173 PolarHBondContact O-N 3.07Å; D170-Q173 VanDerWaalsContact O-N 3.15Å; I171-Q173 PolarHBondContact O-N 2.77Å; Q173-V175 VanDerWaalsContact C-N 3.32Å; Q173-V175 PolarHBondContact O-N 2.92Å; Q173-R176 WeakPolarHBondContact O-CB 3.33Å; Q173-R176 PolarHBondContact O-N 3.36Å; Q173-R176 VanDerWaalsContact O-N 3.11Å; Q173-S177 PolarHBondContact O-N 3.4Å; Q173-S177 PolarHBondContact O-OG 3.23Å
174L95.9Very high95Very high55 Ų5555.3 Ų55.329%0.28828%0.282SS..Hα-helixtrans-64.8-35.6175.9-67.4169.1000112.5V117 D170 I171 R176 S177 G178 D179 I180V117-L174 HydrophobicContact CG2-CD1 3.57Å; D170-L174 WeakPolarHBondContact O-CG 3.18Å; D170-L174 PolarHBondContact O-N 2.96Å; I171-L174 PolarHBondContact O-N 3.15Å; L174-R176 VanDerWaalsContact C-N 3.33Å; L174-S177 WeakPolarHBondContact CA-OG 3.3Å; L174-S177 PolarHBondContact O-OG 2.97Å; L174-S177 VanDerWaalsContact O-OG 3.05Å; L174-G178 PolarHBondContact O-N 2.99Å; L174-G178 VanDerWaalsContact O-N 3.17Å; L174-D179 HydrophobicContact CB-CB 4.33Å; L174-D179 HydrophobicContact CD2-CB 3.86Å; L174-D179 PolarHBondContact O-N 3.29Å; L174-I180 HydrophobicContact CB-CB 4.34Å; L174-I180 HydrophobicContact CB-CD1 3.75Å; L174-I180 HydrophobicContact CB-CG1 3.91Å; L174-I180 HydrophobicContact CD1-CD1 3.8Å; L174-I180 HydrophobicContact CG-CD1 4.43Å; L174-I180 PolarHBondContact O-N 3.21Å; L174-I180 VanDerWaalsContact O-N 3.08Å
175V95Very high94.4Very high18 Ų1858.5 Ų58.511%0.10932%0.315CS..Hα-helixtrans-66.8-37.4172.4171.90000111Y7 F9 I171 F172 Q173 G178 I180 V189Y7-V175 HydrophobicContact CD1-CG1 4.33Å; Y7-V175 HydrophobicContact CE1-CG1 3.76Å; Y7-V175 HydrophobicContact CE2-CG1 4.01Å; F9-V175 HydrophobicContact CE1-CG2 4.23Å; F9-V175 HydrophobicContact CZ-CG2 4.39Å; I171-V175 HydrophobicContact CG2-CG2 4.35Å; I171-V175 VanDerWaalsContact O-CG2 3.3Å; I171-V175 WeakPolarHBondContact O-CG2 3.22Å; I171-V175 PolarHBondContact O-N 3.36Å; F172-V175 PolarHBondContact O-N 3.2Å; Q173-V175 VanDerWaalsContact C-N 3.32Å; Q173-V175 PolarHBondContact O-N 2.92Å; V175-G178 PolarHBondContact O-N 3.37Å; V175-I180 WeakPolarHBondContact CA-O 3.3Å; V175-I180 HydrophobicContact CG2-CB 4.01Å; V175-I180 HydrophobicContact CG2-CG2 3.92Å; V175-V189 HydrophobicContact CG2-CG1 4.24Å; V175-V189 HydrophobicContact CG2-CG2 4.16Å
176R94.1Very high94.1Very high150 Ų15058.3 Ų58.357%0.56631%0.313SS*.Hα-helixtrans-72.9-34.7178.4-75.6-168.370.7-172.62.2113.8F172 Q173 L174 G178F172-R176 HydrophobicContact CD1-CG 4.45Å; F172-R176 HydrophobicContact CE1-CG 4.14Å; F172-R176 HydrophobicContact CE2-CG 4.28Å; F172-R176 VanDerWaalsContact CZ-CD 3.49Å; F172-R176 HydrophobicContact CZ-CG 4.05Å; F172-R176 WeakPolarHBondContact O-CG 3.23Å; F172-R176 PolarHBondContact O-N 3.19Å; Q173-R176 WeakPolarHBondContact O-CB 3.33Å; Q173-R176 PolarHBondContact O-N 3.36Å; Q173-R176 VanDerWaalsContact O-N 3.11Å; L174-R176 VanDerWaalsContact C-N 3.33Å; R176-G178 VanDerWaalsContact C-N 3.26Å
177S95.6Very high93.9Very high74 Ų7459.6 Ų59.652%0.51732%0.318SS..Hα-helixtrans-75.4-18.3175.1580000112.6Q173 L174 D179Q173-S177 PolarHBondContact O-N 3.4Å; Q173-S177 PolarHBondContact O-OG 3.23Å; L174-S177 WeakPolarHBondContact CA-OG 3.3Å; L174-S177 PolarHBondContact O-OG 2.97Å; L174-S177 VanDerWaalsContact O-OG 3.05Å; S177-D179 WeakPolarHBondContact CB-OD2 3.04Å; S177-D179 VanDerWaalsContact OG-CG 3.29Å; S177-D179 PolarHBondContact OG-OD2 3.46Å
178G93.5Very high93.6Very high41 Ų4159.6 Ų59.642%0.42332%0.318SS..THydrogen-bonded Turntrans89.55-176.400000113.9L174 V175 R176 I180 T181L174-G178 PolarHBondContact O-N 2.99Å; L174-G178 VanDerWaalsContact O-N 3.17Å; V175-G178 PolarHBondContact O-N 3.37Å; R176-G178 VanDerWaalsContact C-N 3.26Å; G178-I180 VanDerWaalsContact C-N 3.27Å; G178-I180 PolarHBondContact O-N 3.12Å; G178-T181 WeakPolarHBondContact O-CG2 3.49Å
179D93.4Very high93.5Very high110 Ų11059.6 Ų59.659%0.58832%0.319SS*.SBendtrans-69.7-26.5175.5-62.4-45.4000112.1L174 S177L174-D179 HydrophobicContact CB-CB 4.33Å; L174-D179 HydrophobicContact CD2-CB 3.86Å; L174-D179 PolarHBondContact O-N 3.29Å; S177-D179 WeakPolarHBondContact CB-OD2 3.04Å; S177-D179 VanDerWaalsContact OG-CG 3.29Å; S177-D179 PolarHBondContact OG-OD2 3.46Å
180I94.1Very high93.4Very high8 Ų858.2 Ų58.24%0.04132%0.315CS..SBendtrans-120.2123.5168.3-63.9175.2000108.6V83 V117 L174 V175 G178 W186 V189V83-I180 HydrophobicContact CG2-CD1 3.83Å; V83-I180 HydrophobicContact CG2-CG2 3.95Å; V117-I180 HydrophobicContact CG2-CD1 3.8Å; L174-I180 HydrophobicContact CB-CB 4.34Å; L174-I180 HydrophobicContact CB-CD1 3.75Å; L174-I180 HydrophobicContact CB-CG1 3.91Å; L174-I180 HydrophobicContact CD1-CD1 3.8Å; L174-I180 HydrophobicContact CG-CD1 4.43Å; L174-I180 PolarHBondContact O-N 3.21Å; L174-I180 VanDerWaalsContact O-N 3.08Å; V175-I180 WeakPolarHBondContact CA-O 3.3Å; V175-I180 HydrophobicContact CG2-CB 4.01Å; V175-I180 HydrophobicContact CG2-CG2 3.92Å; G178-I180 VanDerWaalsContact C-N 3.27Å; G178-I180 PolarHBondContact O-N 3.12Å; I180-W186 HydrophobicContact CG2-CH2 3.91Å; I180-W186 HydrophobicContact CG2-CZ3 4Å; I180-V189 HydrophobicContact CG2-CG2 3.81Å
181T92.1Very high93.1Very high62 Ų6259.8 Ų59.838%0.3833%0.33SS..  trans-116.9152-178.854.90000111.7G178 Q183 W186G178-T181 WeakPolarHBondContact O-CG2 3.49Å; T181-Q183 PolarHBondContact O-N 2.8Å; T181-W186 WeakPolarHBondContact O-CZ3 3.24Å
182I91.8Very high92.3Very high86 Ų8660.6 Ų60.644%0.44134%0.338SS..  trans-68.3130.5169-62.6171.5000107.4Y7 V189Y7-I182 HydrophobicContact CE1-CD1 4.28Å; I182-V189 HydrophobicContact CG1-CB 4.34Å; I182-V189 HydrophobicContact CG1-CG1 3.87Å
183Q88.6Confident91.2Very high74 Ų7465.5 Ų65.535%0.34636%0.36SS..  trans-126.3146.5178.3-61.3-157.9-13.900111.4H114 T181 G185 W186H114-Q183 PolarHBondContact CE1-NE2 2.87Å; H114-Q183 VanDerWaalsContact CE1-NE2 3.34Å; T181-Q183 PolarHBondContact O-N 2.8Å; Q183-G185 PolarHBondContact O-N 3.39Å; Q183-W186 HydrophobicContact CB-CB 4.01Å; Q183-W186 PolarHBondContact O-N 2.86Å
184E86.4Confident89.7Confident201 Ų20163.8 Ų63.894%0.93936%0.356SS*.THydrogen-bonded Turntrans-62.3132.7175.3-167.7179.2-178.900110.7W186E184-W186 PolarHBondContact O-N 3.23Å; E184-W186 VanDerWaalsContact O-N 3.16Å
185G86.4Confident87.6Confident67 Ų6763.8 Ų63.869%0.69136%0.359SS*.THydrogen-bonded Turntrans72.1-1-178.500000115.4Q183Q183-G185 PolarHBondContact O-N 3.39Å
186W91.3Very high85.5Confident10 Ų1069.8 Ų69.84%0.03839%0.39CS..  trans-102.7128.7172.4-17555.8000111R80 V83 H114 I180 T181 Q183 E184 V189R80-W186 PolarHBondContact O-NE1 3.45Å; V83-W186 HydrophobicContact CB-CH2 3.98Å; V83-W186 HydrophobicContact CB-CZ2 4.14Å; V83-W186 HydrophobicContact CG2-CH2 3.89Å; V83-W186 HydrophobicContact CG2-CZ2 4.44Å; H114-W186 HydrophobicContact CB-CH2 4.24Å; H114-W186 HydrophobicContact CB-CZ2 4.29Å; I180-W186 HydrophobicContact CG2-CH2 3.91Å; I180-W186 HydrophobicContact CG2-CZ3 4Å; T181-W186 WeakPolarHBondContact O-CZ3 3.24Å; Q183-W186 HydrophobicContact CB-CB 4.01Å; Q183-W186 PolarHBondContact O-N 2.86Å; E184-W186 PolarHBondContact O-N 3.23Å; E184-W186 VanDerWaalsContact O-N 3.16Å; W186-V189 HydrophobicContact CH2-CG2 4.13Å; W186-V189 HydrophobicContact CZ3-CB 4.25Å; W186-V189 HydrophobicContact CZ3-CG2 3.99Å
187E92.1Very high83.3Confident47 Ų4767.1 Ų67.122%0.2239%0.39CS..  trans-101.32-171.2-62-81.2123.500113.8R10 N81 V189 K190R10-E187 VanDerWaalsContact CD-O 3.24Å; R10-E187 WeakPolarHBondContact CD-O 3.27Å; R10-E187 WeakPolarHBondContact CG-O 3.34Å; R10-E187 IonicContact CZ-OE2 3.91Å; R10-E187 VanDerWaalsContact CZ-OE2 3.3Å; R10-E187 IonicContact NH1-OE2 3.68Å; R10-E187 IonicContact NH2-OE2 2.69Å; R10-E187 PolarHBondContact NH2-OE2 3.38Å; N81-E187 HydrophobicContact CB-CB 4.05Å; N81-E187 PolarHBondContact OD1-N 3.42Å; E187-V189 PolarHBondContact O-N 3.33Å; E187-K190 WeakPolarHBondContact OE1-CE 3.48Å; E187-K190 IonicContact OE1-NZ 2.81Å; E187-K190 PolarHBondContact OE1-NZ 2.73Å; E187-K190 WeakPolarHBondContact OE2-CE 3.12Å; E187-K190 IonicContact OE2-NZ 2.87Å; E187-K190 PolarHBondContact OE2-NZ 2.69Å
188G93.4Very high80.7Confident0 Ų069.5 Ų69.50%040%0.402CS..SBendtrans-59.6-44.7-177.600000112.9F9 R10 N81 V83F9-G188 WeakPolarHBondContact CA-O 3.49Å; R10-G188 PolarHBondContact N-O 3.2Å; N81-G188 WeakPolarHBondContact O-CA 3.41Å; N81-G188 PolarHBondContact O-N 3.07Å; V83-G188 WeakPolarHBondContact CG1-O 3.23Å
189V95.4Very high78.4Confident1 Ų175.6 Ų75.61%0.00642%0.419CS..EExtended strand (participates in β ladder)trans-128.9129.9177.1-175.90000110Y7 Q8 F9 V83 V175 I180 I182 W186 E187Y7-V189 HydrophobicContact CD1-CG1 3.99Å; Q8-V189 WeakPolarHBondContact O-CA 3.23Å; F9-V189 HydrophobicContact CD1-CB 4.46Å; F9-V189 HydrophobicContact CD1-CG1 4.07Å; F9-V189 HydrophobicContact CD1-CG2 4.05Å; F9-V189 HydrophobicContact CE1-CG1 3.84Å; F9-V189 HydrophobicContact CE1-CG2 4.2Å; V83-V189 HydrophobicContact CB-CG2 3.92Å; V83-V189 HydrophobicContact CG1-CG2 4.1Å; V83-V189 HydrophobicContact CG2-CG2 3.61Å; V175-V189 HydrophobicContact CG2-CG1 4.24Å; V175-V189 HydrophobicContact CG2-CG2 4.16Å; I180-V189 HydrophobicContact CG2-CG2 3.81Å; I182-V189 HydrophobicContact CG1-CB 4.34Å; I182-V189 HydrophobicContact CG1-CG1 3.87Å; W186-V189 HydrophobicContact CH2-CG2 4.13Å; W186-V189 HydrophobicContact CZ3-CB 4.25Å; W186-V189 HydrophobicContact CZ3-CG2 3.99Å; E187-V189 PolarHBondContact O-N 3.33Å
190K94.3Very high75.5Confident74 Ų7475.3 Ų75.332%0.32243%0.425SS..EExtended strand (participates in β ladder)trans-123.1148.4168.2-65.8-171.7168-176.40110.8Y7 Q8 E187Y7-K190 CarbonylContact C-O 3.56Å; Y7-K190 VanDerWaalsContact CA-O 3.27Å; Y7-K190 WeakPolarHBondContact CA-O 3.33Å; Q8-K190 HydrophobicContact CB-CB 4.26Å; Q8-K190 PolarHBondContact N-O 2.66Å; Q8-K190 PolarHBondContact O-N 3.08Å; E187-K190 WeakPolarHBondContact OE1-CE 3.48Å; E187-K190 IonicContact OE1-NZ 2.81Å; E187-K190 PolarHBondContact OE1-NZ 2.73Å; E187-K190 WeakPolarHBondContact OE2-CE 3.12Å; E187-K190 IonicContact OE2-NZ 2.87Å; E187-K190 PolarHBondContact OE2-NZ 2.69Å
191S90.8Very high72.7Confident81 Ų8180.1 Ų80.157%0.56646%0.459SS*.EExtended strand (participates in β ladder)trans-63.1154.5169.953.30000111
192G80.9Confident70.1Confident17 Ų1786 Ų8618%0.17548%0.482CS..PPolyproline II helixtrans-56.8147.7176.300000113.6W5 L6W5-G192 WeakPolarHBondContact O-CA 3.44Å; L6-G192 VanDerWaalsContact O-CA 3.3Å; L6-G192 WeakPolarHBondContact O-CA 3.08Å; L6-G192 PolarHBondContact O-N 3.16Å
193F74.1Confident67.4Low110 Ų11090.6 Ų90.648%0.48250%0.502SS..PPolyproline II helixtrans-80122.3173.5-177.4-103.9000110.1I4 W5 P195I4-F193 HydrophobicContact CD1-CD1 4.49Å; I4-F193 PolarHBondContact N-O 3.39Å; W5-F193 HydrophobicContact CH2-CB 3.89Å; W5-F193 HydrophobicContact CZ2-CB 3.42Å; W5-F193 VanDerWaalsContact CZ2-CB 3.42Å; W5-F193 HydrophobicContact CZ2-CG 4.43Å; F193-P195 HydrophobicContact CD1-CB 4.5Å; F193-P195 HydrophobicContact CD1-CG 3.97Å; F193-P195 HydrophobicContact CE1-CB 3.83Å; F193-P195 HydrophobicContact CE1-CG 3.76Å
194V64.7Low64.9Low54 Ų5493.4 Ų93.433%0.32752%0.524SS..  trans-102.3111.4167-175.40000107.1A3 N196 V197A3-V194 HydrophobicContact CB-CG2 4.08Å; V194-N196 PolarHBondContact O-N 3.36Å; V194-N196 VanDerWaalsContact O-N 3.08Å; V194-V197 HydrophobicContact CB-CG2 4.22Å; V194-V197 HydrophobicContact CG1-CG2 4.41Å; V194-V197 PolarHBondContact O-N 3.08Å
195P52.1Low62.5Low54 Ų5490 Ų9035%0.35152%0.517SS..THydrogen-bonded Turntrans-59.8117.7176.9-1729.3000108.8I4 F193I4-P195 HydrophobicContact CD1-CG 3.91Å; I4-P195 HydrophobicContact CG1-CG 4.27Å; F193-P195 HydrophobicContact CD1-CB 4.5Å; F193-P195 HydrophobicContact CD1-CG 3.97Å; F193-P195 HydrophobicContact CE1-CB 3.83Å; F193-P195 HydrophobicContact CE1-CG 3.76Å
196N49.8Very low60.1Low145 Ų14596.1 Ų96.178%0.77553%0.525SS*.THydrogen-bonded Turntrans104.77.4178.4-54.6-24.3000118.7V194 V198V194-N196 PolarHBondContact O-N 3.36Å; V194-N196 VanDerWaalsContact O-N 3.08Å; N196-V198 VanDerWaalsContact C-N 3.34Å; N196-V198 PolarHBondContact O-N 3.15Å; N196-V198 VanDerWaalsContact O-N 3.15Å
197V49.1Very low57.6Low94 Ų94100.1 Ų100.157%0.5755%0.554SS**  trans-8388.5159-174.40000107.9V194 H199V194-V197 HydrophobicContact CB-CG2 4.22Å; V194-V197 HydrophobicContact CG1-CG2 4.41Å; V194-V197 PolarHBondContact O-N 3.08Å; V197-H199 PolarHBondContact O-N 3.1Å; V197-H199 VanDerWaalsContact O-N 3.1Å
198V41Very low55.3Low124 Ų124105.2 Ų105.275%0.75258%0.583SS**  trans-62.2108.4160.1-1760000105N196 S200N196-V198 VanDerWaalsContact C-N 3.34Å; N196-V198 PolarHBondContact O-N 3.15Å; N196-V198 VanDerWaalsContact O-N 3.15Å; V198-S200 VanDerWaalsContact C-N 3.28Å; V198-S200 PolarHBondContact O-N 2.97Å
199H43.6Very low53Low169 Ų169116 Ų11678%0.78262%0.624SS**  trans-60.1103.4161.5-83.9-75.3000105.5V197 S201V197-H199 PolarHBondContact O-N 3.1Å; V197-H199 VanDerWaalsContact O-N 3.1Å; H199-S201 PolarHBondContact O-N 2.89Å
200S33.3Very low50.4Low103 Ų103126.6 Ų126.672%0.7266%0.664SS**  trans-56.6109.6166.352.50000105.9V198 E202V198-S200 VanDerWaalsContact C-N 3.28Å; V198-S200 PolarHBondContact O-N 2.97Å; S200-E202 PolarHBondContact O-N 3.1Å; S200-E202 VanDerWaalsContact O-N 3.1Å
201S36.4Very low47.9Very low109 Ų109129.3 Ų129.376%0.76269%0.69SS**  trans-46.9121163.8-26.20000106.3H199 E203H199-S201 PolarHBondContact O-N 2.89Å; S201-E203 PolarHBondContact O-N 2.85Å; S201-E203 VanDerWaalsContact O-N 3.11Å
202E37.1Very low45.9Very low185 Ų185132.5 Ų132.586%0.86470%0.701SS**  trans-48.2122.7174.4-69.2171.5146.600108.4S200 V204S200-E202 PolarHBondContact O-N 3.1Å; S200-E202 VanDerWaalsContact O-N 3.1Å; E202-V204 PolarHBondContact O-N 3.11Å
203E33.9Very low44.4Very low183 Ų183140.8 Ų140.886%0.85575%0.754SS**  trans-57.8108.1171.1-76.2-177150.100107.5S201 T205S201-E203 PolarHBondContact O-N 2.85Å; S201-E203 VanDerWaalsContact O-N 3.11Å; E203-T205 VanDerWaalsContact C-N 3.29Å; E203-T205 PolarHBondContact O-N 2.94Å
204V37.4Very low42.9Very low134 Ų134142.4 Ų142.481%0.81277%0.767SS**  trans-59.199.1164.1177.10000106.2E202 K206E202-V204 PolarHBondContact O-N 3.11Å; V204-K206 PolarHBondContact O-N 2.87Å
205T35.7Very low41.8Very low129 Ų129147 Ų14779%0.79179%0.79SS**  trans-58.6101.4167.646.60000107.5E203 S207E203-T205 VanDerWaalsContact C-N 3.29Å; E203-T205 PolarHBondContact O-N 2.94Å; T205-S207 PolarHBondContact O-N 3.03Å
206K36.2Very low41.2Very low196 Ų196152.2 Ų152.285%0.85282%0.815SS**  trans-56.9109.1168.5-89.7179.8173.9175.70107.7V204 D208V204-K206 PolarHBondContact O-N 2.87Å; K206-D208 PolarHBondContact O-N 2.91Å
207S38.7Very low40.7Very low94 Ų94152.6 Ų152.666%0.65782%0.817SS**  trans-68117.9162.578.30000107.6T205 R209T205-S207 PolarHBondContact O-N 3.03Å; S207-R209 PolarHBondContact O-N 3.28Å
208D43.9Very low40.2Very low154 Ų154156.3 Ų156.382%0.82483%0.833SS**  trans-54.7100.2168.1-91.4-29.2000110.1K206K206-D208 PolarHBondContact O-N 2.91Å
209R45.2Very low40.1Very low225 Ų225158.4 Ų158.485%0.84984%0.838SS**  trans-99.298.8156.7-72.3-168.4-174.6-166.62.1107.4S207 C211S207-R209 PolarHBondContact O-N 3.28Å; R209-C211 PolarHBondContact O-N 3.18Å
210R40.9Very low39.8Very low224 Ų224157.6 Ų157.685%0.84584%0.842SS**  trans-55.7116.5166.3-71.4-179.9-176.1178.90.7108.3L212R210-L212 PolarHBondContact O-N 3.4Å
211C41.3Very low40.4Very low131 Ų131161.8 Ų161.889%0.88585%0.851SS**  trans-70.9115.4163-161.80000106.9R209R209-C211 PolarHBondContact O-N 3.18Å
212L48.4Very low40.7Very low149 Ų149166.3 Ų166.378%0.7886%0.859SS**  trans-95.7131165.5-83.4150.5000106.8R210R210-L212 PolarHBondContact O-N 3.4Å
213C49.3Very low41Very low191 Ų191164.5 Ų164.5100%1.29186%0.858SS**  trans-25.80167.4510000116

Retrieved 213 of 213 residues in 635.6 ms (Link to these results)

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