A0A060XGJ8_ONCMY Loading...

Cilia and flagella associated protein 20

AlphaFold DB (Q6GL74), UniProt , Accession A0A060XGJ8, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene cfap20, Length 193 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M83.6Confident88.4Confident113 Ų11379 Ų7956%0.55740%0.4SS*.  0-49.80-173.2166.7-164.100110.2I24 T68 L69M1-I24 HydrophobicContact CE-CB 3.87Å; M1-I24 HydrophobicContact CE-CG2 3.31Å; M1-I24 HydrophobicContact SD-CB 4.08Å; M1-I24 HydrophobicContact SD-CD1 4.42Å; M1-I24 HydrophobicContact SD-CG2 4.14Å; M1-T68 PolarHBondContact N-O 3.02Å; M1-L69 PolarHBondContact N-O 2.86Å
2F89.6Confident88.9Confident29 Ų2976.2 Ų76.213%0.12739%0.393CS..  trans-100.84.9-177.8-65.7-82.8000114.2N4 T5 Q7 L11 I13 I24 L69 I71F2-N4 PolarHBondContact O-N 2.86Å; F2-N4 VanDerWaalsContact O-N 3.11Å; F2-T5 HydrophobicContact CD1-CG2 4.37Å; F2-T5 WeakPolarHBondContact O-CB 3.21Å; F2-T5 PolarHBondContact O-N 3.41Å; F2-Q7 PolarHBondContact O-NE2 3Å; F2-L11 HydrophobicContact CB-CD2 4.27Å; F2-L11 HydrophobicContact CD1-CD1 4.02Å; F2-L11 HydrophobicContact CD1-CD2 4.08Å; F2-L11 HydrophobicContact CD1-CG 4.5Å; F2-L11 HydrophobicContact CE1-CD1 4.14Å; F2-L11 HydrophobicContact CG-CD2 4.13Å; F2-I13 HydrophobicContact CE2-CG2 4.35Å; F2-I24 HydrophobicContact CE2-CD1 4.1Å; F2-I24 HydrophobicContact CZ-CD1 4.05Å; F2-L69 HydrophobicContact CD2-CD2 3.74Å; F2-L69 HydrophobicContact CE2-CD2 3.65Å; F2-L69 PolarHBondContact N-O 3.48Å; F2-I71 HydrophobicContact CB-CG1 3.98Å; F2-I71 HydrophobicContact CD2-CD1 4.02Å; F2-I71 HydrophobicContact CD2-CG1 4.09Å; F2-I71 HydrophobicContact CG-CD1 4.48Å; F2-I71 HydrophobicContact CG-CG1 4.24Å
3K84.5Confident89.4Confident144 Ų14471 Ų7163%0.62637%0.366SS*.THydrogen-bonded Turntrans-55.1-33.7-175.1-168.5177.5-1781790113.7
4N85.1Confident89.9Confident162 Ų16266.1 Ų66.187%0.86634%0.341SS*.THydrogen-bonded Turntrans-103.97-180-59.2-11.3000112.7F2F2-N4 PolarHBondContact O-N 2.86Å; F2-N4 VanDerWaalsContact O-N 3.11Å
5T87Confident90.3Very high68 Ų6866 Ų6642%0.41734%0.335SS..SBendtrans-87.4149175.8-49.40000108.8F2 Q7F2-T5 HydrophobicContact CD1-CG2 4.37Å; F2-T5 WeakPolarHBondContact O-CB 3.21Å; F2-T5 PolarHBondContact O-N 3.41Å; T5-Q7 WeakPolarHBondContact O-CG 3.11Å; T5-Q7 PolarHBondContact O-N 3.04Å
6F86.7Confident90.5Very high175 Ų17561.9 Ų61.977%0.76831%0.314SS*.  trans-63.8126.2169.2-176.3-109.3000109.8
7Q89Confident90.5Very high37 Ų3762.1 Ų62.117%0.17332%0.315CS..  trans-124.180.9-177.1-58.7-175.429.900109.3F2 T5 L11 G70 I71 L73F2-Q7 PolarHBondContact O-NE2 3Å; T5-Q7 WeakPolarHBondContact O-CG 3.11Å; T5-Q7 PolarHBondContact O-N 3.04Å; Q7-L11 HydrophobicContact CG-CD2 4.28Å; Q7-G70 PolarHBondContact NE2-O 2.55Å; Q7-I71 VanDerWaalsContact OE1-CA 3.25Å; Q7-L73 HydrophobicContact CB-CD2 4.43Å; Q7-L73 HydrophobicContact CB-CG 4.25Å
8S87.9Confident90.4Very high63 Ų6360.8 Ų60.844%0.44132%0.32SS..SBendtrans-138.5146.8176.5-1730000109.7F10S8-F10 PolarHBondContact O-N 2.6Å
9G91.9Very high90.4Very high11 Ų1163.7 Ų63.711%0.11335%0.346CS..SBendtrans66.4-92.7-175.400000111.9S168 D169 Y172G9-S168 WeakPolarHBondContact O-CA 3.43Å; G9-D169 WeakPolarHBondContact CA-OD2 3.2Å; G9-D169 PolarHBondContact N-OD2 3.22Å; G9-D169 PolarHBondContact O-N 3.14Å; G9-Y172 WeakPolarHBondContact CA-OH 3.41Å
10F92.8Very high90.6Very high49 Ų4968.1 Ų68.122%0.21536%0.361CS..EExtended strand (participates in β ladder)trans-129.6139.1-173.5-54.4-82.2000112.6S8 Y166 F167 Y172 L177 P178 F181S8-F10 PolarHBondContact O-N 2.6Å; F10-Y166 AromaticContact CD1-CD2 3.91Å; F10-Y166 HydrophobicContact CD1-CD2 3.91Å; F10-Y166 AromaticContact CD1-CE2 3.75Å; F10-Y166 HydrophobicContact CD1-CE2 3.75Å; F10-Y166 HydrophobicContact CE1-CE2 4.11Å; F10-F167 CarbonylContact C-O 3.59Å; F10-F167 WeakPolarHBondContact CA-O 3.33Å; F10-Y172 HydrophobicContact CD1-CD2 4.43Å; F10-Y172 HydrophobicContact CD1-CE2 4.34Å; F10-Y172 AromaticContact CE1-CD2 3.36Å; F10-Y172 HydrophobicContact CE1-CD2 3.36Å; F10-Y172 AromaticContact CE1-CE2 3.55Å; F10-Y172 HydrophobicContact CE1-CE2 3.55Å; F10-Y172 AromaticContact CE1-CG 3.94Å; F10-Y172 HydrophobicContact CE1-CG 3.94Å; F10-Y172 HydrophobicContact CE2-CD2 4.41Å; F10-Y172 HydrophobicContact CE2-CE1 4.26Å; F10-Y172 HydrophobicContact CE2-CE2 4.06Å; F10-Y172 AromaticContact CE2-CZ 3.97Å; F10-Y172 AromaticContact CZ-CD1 3.84Å; F10-Y172 HydrophobicContact CZ-CD1 3.84Å; F10-Y172 AromaticContact CZ-CD2 3.35Å; F10-Y172 HydrophobicContact CZ-CD2 3.35Å; F10-Y172 AromaticContact CZ-CE1 3.88Å; F10-Y172 HydrophobicContact CZ-CE1 3.88Å; F10-Y172 AromaticContact CZ-CE2 3.39Å; F10-Y172 HydrophobicContact CZ-CE2 3.39Å; F10-Y172 AromaticContact CZ-CG 3.56Å; F10-Y172 HydrophobicContact CZ-CG 3.56Å; F10-Y172 AromaticContact CZ-CZ 3.65Å; F10-L177 HydrophobicContact CE1-CD2 3.59Å; F10-L177 HydrophobicContact CZ-CD2 3.78Å; F10-P178 HydrophobicContact CD2-CG 4.39Å; F10-P178 HydrophobicContact CE2-CG 3.99Å; F10-F181 HydrophobicContact CB-CE1 3.85Å; F10-F181 HydrophobicContact CB-CE2 3.99Å; F10-F181 HydrophobicContact CB-CZ 3.47Å; F10-F181 VanDerWaalsContact CB-CZ 3.47Å; F10-F181 HydrophobicContact CD1-CD1 4.32Å; F10-F181 HydrophobicContact CD1-CE1 4.28Å; F10-F181 HydrophobicContact CD1-CZ 4.46Å; F10-F181 HydrophobicContact CD2-CE2 4.32Å; F10-F181 HydrophobicContact CG-CD2 4.45Å; F10-F181 HydrophobicContact CG-CE1 4.22Å; F10-F181 HydrophobicContact CG-CE2 4.09Å; F10-F181 AromaticContact CG-CZ 3.96Å; F10-F181 HydrophobicContact CG-CZ 3.96Å
11L94.3Very high90.8Very high18 Ų1866 Ų669%0.09435%0.352CS..EExtended strand (participates in β ladder)trans-131.6104.4172.2-175.967.4000110.6F2 Q7 I71 L73 Y166 F167F2-L11 HydrophobicContact CB-CD2 4.27Å; F2-L11 HydrophobicContact CD1-CD1 4.02Å; F2-L11 HydrophobicContact CD1-CD2 4.08Å; F2-L11 HydrophobicContact CD1-CG 4.5Å; F2-L11 HydrophobicContact CE1-CD1 4.14Å; F2-L11 HydrophobicContact CG-CD2 4.13Å; Q7-L11 HydrophobicContact CG-CD2 4.28Å; L11-I71 HydrophobicContact CD2-CB 4.44Å; L11-I71 HydrophobicContact CD2-CD1 3.69Å; L11-I71 HydrophobicContact CD2-CG1 3.64Å; L11-I71 HydrophobicContact CD2-CG2 4.01Å; L11-L73 HydrophobicContact CB-CD1 3.69Å; L11-Y166 CarbonylContact O-C 3.57Å; L11-Y166 VanDerWaalsContact O-CA 3.23Å; L11-Y166 WeakPolarHBondContact O-CA 3.44Å; L11-Y166 WeakPolarHBondContact O-CB 3.43Å; L11-F167 HydrophobicContact CB-CB 4.48Å; L11-F167 PolarHBondContact N-O 3.11Å; L11-F167 PolarHBondContact O-N 3.42Å
12S94.3Very high91.3Very high45 Ų4561.8 Ų61.832%0.31533%0.331SS..EExtended strand (participates in β ladder)trans-78.9130177.4-172.50000111.4
13I95.8Very high91.6Very high9 Ų967.8 Ų67.85%0.04636%0.36CS..EExtended strand (participates in β ladder)trans-108.8-17.7174.259.7163.9000112.3F2 I24 W25 L69 I71 V154 V165 F167F2-I13 HydrophobicContact CE2-CG2 4.35Å; I13-I24 HydrophobicContact CB-CD1 4.42Å; I13-W25 HydrophobicContact CB-CZ2 4.33Å; I13-W25 HydrophobicContact CD1-CH2 3.9Å; I13-W25 HydrophobicContact CD1-CZ2 3.64Å; I13-W25 HydrophobicContact CG1-CZ2 3.9Å; I13-W25 PolarHBondContact O-NE1 2.91Å; I13-L69 HydrophobicContact CG2-CD2 4.49Å; I13-I71 HydrophobicContact CG2-CD1 3.67Å; I13-V154 HydrophobicContact CD1-CB 4.33Å; I13-V154 HydrophobicContact CD1-CG2 4.17Å; I13-V165 HydrophobicContact CD1-CB 4.3Å; I13-V165 HydrophobicContact CD1-CG1 3.54Å; I13-V165 HydrophobicContact CG1-CB 3.92Å; I13-V165 HydrophobicContact CG1-CG1 3.61Å; I13-V165 WeakPolarHBondContact CG1-O 3.41Å; I13-V165 PolarHBondContact N-O 3.4Å; I13-F167 HydrophobicContact CD1-CE2 3.81Å; I13-F167 HydrophobicContact CG1-CE2 4.32Å; I13-F167 HydrophobicContact CG2-CD2 4.17Å; I13-F167 HydrophobicContact CG2-CE2 4.03Å
14L96.7Very high92.1Very high2 Ų262.4 Ų62.41%0.0134%0.338CS..EExtended strand (participates in β ladder)trans-148.8128.6173.9-175.4155.8000109.3L22 W25 L47 I59 I162 R164 V165L14-L22 HydrophobicContact CD1-CD2 3.99Å; L14-W25 HydrophobicContact CB-CZ2 3.75Å; L14-W25 HydrophobicContact CD1-CD2 4.29Å; L14-W25 HydrophobicContact CD1-CZ2 3.99Å; L14-L47 HydrophobicContact CD1-CD2 4.1Å; L14-I59 HydrophobicContact CD1-CD1 3.74Å; L14-I162 HydrophobicContact CD1-CG2 4.48Å; L14-I162 HydrophobicContact CD2-CB 4.46Å; L14-I162 HydrophobicContact CD2-CG2 3.71Å; L14-R164 CarbonylContact O-C 3.54Å; L14-R164 VanDerWaalsContact O-CA 3.31Å; L14-R164 WeakPolarHBondContact O-CA 3.28Å; L14-V165 HydrophobicContact CB-CB 4.01Å; L14-V165 HydrophobicContact CB-CG2 4.15Å; L14-V165 PolarHBondContact N-O 3.19Å; L14-V165 VanDerWaalsContact N-O 3.12Å; L14-V165 PolarHBondContact O-N 3.4Å
15Y95Very high92.7Very high65 Ų6555.1 Ų55.126%0.25530%0.298SS..EExtended strand (participates in β ladder)trans-135.4122.8168.9-174.1-140.8000109.1I17 P21 R163 R164Y15-I17 HydrophobicContact CD1-CB 4.25Å; Y15-I17 WeakPolarHBondContact CD1-O 3.26Å; Y15-I17 HydrophobicContact CE1-CB 3.71Å; Y15-I17 HydrophobicContact CE1-CG2 4.2Å; Y15-I17 WeakPolarHBondContact CE1-O 3.08Å; Y15-I17 HydrophobicContact CE2-CB 4.38Å; Y15-I17 PolarHBondContact O-N 3.23Å; Y15-P21 WeakPolarHBondContact O-CB 3.3Å; Y15-R163 VanDerWaalsContact CE2-NH2 3.33Å; Y15-R163 PolarHBondContact OH-NH2 3.09Å; Y15-R164 HydrophobicContact CD2-CB 4.33Å; Y15-R164 HydrophobicContact CD2-CG 4.17Å; Y15-R164 VanDerWaalsContact CD2-NE 3.29Å
16S94.1Very high93.2Very high0 Ų055.6 Ų55.60%030%0.298CS..SBendtrans-67.8-23.8-173.6600000113.7P21 R36 L45 R163S16-P21 WeakPolarHBondContact O-CG 3.29Å; S16-R36 WeakPolarHBondContact O-CD 3.46Å; S16-L45 VanDerWaalsContact CB-O 3.27Å; S16-L45 WeakPolarHBondContact CB-O 3.23Å; S16-L45 PolarHBondContact OG-O 3.11Å; S16-R163 PolarHBondContact N-O 3Å; S16-R163 WeakPolarHBondContact OG-CD 3.11Å; S16-R163 PolarHBondContact OG-NH1 2.81Å; S16-R163 PolarHBondContact OG-O 3.33Å; S16-R163 VanDerWaalsContact OG-O 3.13Å
17I89.6Confident93.7Very high66 Ų6652.9 Ų52.934%0.33829%0.286SS..SBendtrans-90.7108.4173.4-65.8174.4000108.1Y15 S44 L45 R163Y15-I17 HydrophobicContact CD1-CB 4.25Å; Y15-I17 WeakPolarHBondContact CD1-O 3.26Å; Y15-I17 HydrophobicContact CE1-CB 3.71Å; Y15-I17 HydrophobicContact CE1-CG2 4.2Å; Y15-I17 WeakPolarHBondContact CE1-O 3.08Å; Y15-I17 HydrophobicContact CE2-CB 4.38Å; Y15-I17 PolarHBondContact O-N 3.23Å; I17-S44 WeakPolarHBondContact CD1-OG 3.36Å; I17-L45 HydrophobicContact CG1-CB 4.24Å; I17-R163 VanDerWaalsContact CD1-CZ 3.43Å
18G89.3Confident94.1Very high38 Ų3856.4 Ų56.439%0.39230%0.301SS..SBendtrans169.4167.1-179.900000110.4R36G18-R36 PolarHBondContact O-NH1 2.79Å
19S91Very high94.5Very high116 Ų11656.8 Ų56.881%0.81130%0.3SS*.SBendtrans-67.1-40.8178.556.30000111.9
20K93.7Very high94.6Very high151 Ų15164.3 Ų64.366%0.65733%0.325SS*.  trans-137.473.3-178.2-62.6-177.5-178.8177.60112.8L22 Q23K20-L22 PolarHBondContact O-N 3.19Å; K20-Q23 HydrophobicContact CB-CB 4.17Å; K20-Q23 WeakPolarHBondContact O-CB 3.31Å; K20-Q23 PolarHBondContact O-N 3.27Å
21P94.2Very high94.7Very high26 Ų2667.5 Ų67.517%0.16934%0.344CS..THydrogen-bonded Turntrans-54.8-28.4-177.2-29.837.8000115.6Y15 S16Y15-P21 WeakPolarHBondContact O-CB 3.3Å; S16-P21 WeakPolarHBondContact O-CG 3.29Å
22L95.3Very high94.7Very high23 Ų2368.3 Ų68.312%0.1236%0.357CS..THydrogen-bonded Turntrans-104.221.8-177.1-65.6177.5000113.1L14 K20 I24 W25 K27 I34 L47 I59L14-L22 HydrophobicContact CD1-CD2 3.99Å; K20-L22 PolarHBondContact O-N 3.19Å; L22-I24 PolarHBondContact O-N 2.85Å; L22-W25 HydrophobicContact CB-CB 4.14Å; L22-W25 HydrophobicContact CD2-CB 3.69Å; L22-W25 HydrophobicContact CD2-CD2 4.37Å; L22-W25 HydrophobicContact CD2-CG 3.77Å; L22-W25 PolarHBondContact O-N 3.43Å; L22-W25 VanDerWaalsContact O-N 3.09Å; L22-K27 HydrophobicContact CD1-CD 3.57Å; L22-K27 HydrophobicContact CD1-CG 3.92Å; L22-I34 HydrophobicContact CD1-CG2 3.92Å; L22-L47 HydrophobicContact CD1-CD1 4.03Å; L22-L47 HydrophobicContact CD1-CD2 4.03Å; L22-L47 HydrophobicContact CD2-CD2 3.65Å; L22-L47 HydrophobicContact CG-CD1 4.44Å; L22-L47 HydrophobicContact CG-CD2 4.05Å; L22-I59 HydrophobicContact CD2-CD1 4.04Å; L22-I59 HydrophobicContact CD2-CG2 4.33Å
23Q94.6Very high94.9Very high156 Ų15668.6 Ų68.673%0.72935%0.353SS*.THydrogen-bonded Turntrans-55.2-36.2-177179.9177.60.500113.4K20K20-Q23 HydrophobicContact CB-CB 4.17Å; K20-Q23 WeakPolarHBondContact O-CB 3.31Å; K20-Q23 PolarHBondContact O-N 3.27Å
24I95.9Very high94.9Very high31 Ų3169.8 Ų69.816%0.15936%0.359CS..THydrogen-bonded Turntrans-102.15-177.371.3171.8000112.8M1 F2 I13 L22 C61 P62 A63M1-I24 HydrophobicContact CE-CB 3.87Å; M1-I24 HydrophobicContact CE-CG2 3.31Å; M1-I24 HydrophobicContact SD-CB 4.08Å; M1-I24 HydrophobicContact SD-CD1 4.42Å; M1-I24 HydrophobicContact SD-CG2 4.14Å; F2-I24 HydrophobicContact CE2-CD1 4.1Å; F2-I24 HydrophobicContact CZ-CD1 4.05Å; I13-I24 HydrophobicContact CB-CD1 4.42Å; L22-I24 PolarHBondContact O-N 2.85Å; I24-C61 VanDerWaalsContact CD1-SG 3.53Å; I24-P62 CarbonylContact O-C 3.59Å; I24-P62 WeakPolarHBondContact O-CA 3.45Å; I24-A63 PolarHBondContact O-N 3.35Å
25W97.8Very high94.9Very high8 Ų875.4 Ų75.43%0.0338%0.383CS..  trans-112.4131.6-172.4-65.278000111I13 L14 L22 I59 T60 C61 V154 I156I13-W25 HydrophobicContact CB-CZ2 4.33Å; I13-W25 HydrophobicContact CD1-CH2 3.9Å; I13-W25 HydrophobicContact CD1-CZ2 3.64Å; I13-W25 HydrophobicContact CG1-CZ2 3.9Å; I13-W25 PolarHBondContact O-NE1 2.91Å; L14-W25 HydrophobicContact CB-CZ2 3.75Å; L14-W25 HydrophobicContact CD1-CD2 4.29Å; L14-W25 HydrophobicContact CD1-CZ2 3.99Å; L22-W25 HydrophobicContact CB-CB 4.14Å; L22-W25 HydrophobicContact CD2-CB 3.69Å; L22-W25 HydrophobicContact CD2-CD2 4.37Å; L22-W25 HydrophobicContact CD2-CG 3.77Å; L22-W25 PolarHBondContact O-N 3.43Å; L22-W25 VanDerWaalsContact O-N 3.09Å; W25-I59 HydrophobicContact CD2-CD1 4.28Å; W25-I59 HydrophobicContact CE3-CB 3.85Å; W25-I59 HydrophobicContact CE3-CD1 3.74Å; W25-I59 HydrophobicContact CE3-CG1 3.71Å; W25-I59 HydrophobicContact CZ3-CB 4.49Å; W25-I59 HydrophobicContact CZ3-CD1 3.95Å; W25-I59 HydrophobicContact CZ3-CG1 3.9Å; W25-T60 CarbonylContact C-O 3.56Å; W25-T60 VanDerWaalsContact CA-O 3.29Å; W25-T60 WeakPolarHBondContact CA-O 3.37Å; W25-C61 HydrophobicContact CD2-CB 3.57Å; W25-C61 HydrophobicContact CE3-CB 3.54Å; W25-C61 HydrophobicContact CG-CB 4.26Å; W25-C61 HydrophobicContact CH2-CB 3.74Å; W25-C61 HydrophobicContact CZ2-CB 3.75Å; W25-C61 HydrophobicContact CZ3-CB 3.63Å; W25-V154 HydrophobicContact CH2-CB 4.37Å; W25-V154 HydrophobicContact CH2-CG1 4.13Å; W25-I156 HydrophobicContact CH2-CD1 4.09Å; W25-I156 HydrophobicContact CZ3-CD1 4.34Å; W25-I156 HydrophobicContact CZ3-CG1 4.48Å
26D97.5Very high95Very high78 Ų7878 Ų7842%0.41739%0.393SS..EExtended strand (participates in β ladder)trans-81149.8165.1-178.542000110.2I59 T60 A63D26-I59 CarbonylContact O-C 3.58Å; D26-I59 VanDerWaalsContact O-CA 3.27Å; D26-I59 WeakPolarHBondContact O-CA 3.4Å; D26-T60 PolarHBondContact N-O 2.83Å; D26-T60 PolarHBondContact O-N 3.42Å; D26-A63 HydrophobicContact CB-CB 4.05Å
27K96.8Very high95.1Very high118 Ų11880.1 Ų80.151%0.51340%0.404SS..EExtended strand (participates in β ladder)trans-124.2122.9-175.6-68.5174.8-114.5176.30109.3L22 I34 I59L22-K27 HydrophobicContact CD1-CD 3.57Å; L22-K27 HydrophobicContact CD1-CG 3.92Å; K27-I34 HydrophobicContact CB-CD1 3.97Å; K27-I34 HydrophobicContact CD-CD1 4.35Å; K27-I34 HydrophobicContact CG-CD1 3.96Å; K27-I59 HydrophobicContact CG-CG2 4.14Å
28K97Very high95.4Very high112 Ų11281.1 Ų81.149%0.48741%0.413SS..EExtended strand (participates in β ladder)trans-117.9126.8168.9-163.7174.4-171.21710109.4T57 Y58K28-T57 CarbonylContact O-C 3.43Å; K28-T57 VanDerWaalsContact O-CA 3.26Å; K28-T57 WeakPolarHBondContact O-CA 3.27Å; K28-Y58 HydrophobicContact CB-CD2 4.19Å; K28-Y58 HydrophobicContact CB-CE1 4.21Å; K28-Y58 HydrophobicContact CB-CE2 3.87Å; K28-Y58 HydrophobicContact CD-CE1 3.68Å; K28-Y58 HydrophobicContact CD-CE2 4.13Å; K28-Y58 WeakPolarHBondContact CD-OH 3.34Å; K28-Y58 HydrophobicContact CG-CE1 4.42Å; K28-Y58 PolarHBondContact N-O 2.94Å; K28-Y58 PolarHBondContact NZ-OH 3.02Å; K28-Y58 PolarHBondContact O-N 2.97Å
29V96.2Very high95.7Very high70 Ų7079.3 Ų79.342%0.42439%0.394SS..  trans-134.1126.5-178.1-174.50000109G32 I34 T57V29-G32 VanDerWaalsContact CG1-C 3.4Å; V29-G32 WeakPolarHBondContact CG1-O 3.48Å; V29-I34 HydrophobicContact CG2-CD1 3.49Å; V29-I34 VanDerWaalsContact CG2-CD1 3.49Å; V29-I34 HydrophobicContact CG2-CG1 3.75Å; V29-T57 HydrophobicContact CG1-CG2 4.24Å; V29-T57 HydrophobicContact CG2-CG2 4.3Å
30R95.4Very high95.7Very high169 Ų16980.3 Ų80.364%0.63839%0.39SS*.SBendtrans-142.6120.3170.5-175.9-177.7-176.9-176.31.5108T56 T57R30-T56 PolarHBondContact O-OG1 3.11Å; R30-T57 PolarHBondContact N-OG1 2.83Å; R30-T57 PolarHBondContact O-OG1 2.84Å
31N94Very high95.6Very high117 Ų11775.6 Ų75.663%0.62637%0.373SS*.SBendtrans53.751.7-176.2-57.3-16.3000112.7T52N31-T52 WeakPolarHBondContact CB-OG1 3.5Å; N31-T52 PolarHBondContact O-N 2.63Å; N31-T52 PolarHBondContact O-OG1 3.06Å
32G95.2Very high95.5Very high34 Ų3475.1 Ų75.135%0.35137%0.368SS..EExtended strand (participates in β ladder)trans-171.9-167.9-177.700000111.7V29 E50V29-G32 VanDerWaalsContact CG1-C 3.4Å; V29-G32 WeakPolarHBondContact CG1-O 3.48Å; G32-E50 CarbonylContact C-O 3.59Å; G32-E50 WeakPolarHBondContact CA-O 3.44Å
33H97.2Very high95.3Very high51 Ų5181.1 Ų81.124%0.23640%0.396CS..EExtended strand (participates in β ladder)trans-149.1158.5176.860.1-93.4000112.3K35 E48 E50H33-K35 HydrophobicContact CB-CD 4.45Å; H33-K35 HydrophobicContact CB-CG 4.36Å; H33-E48 IonicContact CD2-OE1 3.74Å; H33-E48 IonicContact CE1-OE1 3.89Å; H33-E48 IonicContact NE2-OE1 2.86Å; H33-E48 PolarHBondContact NE2-OE1 2.96Å; H33-E50 IonicContact CE1-OE2 3.98Å; H33-E50 PolarHBondContact CE1-OE2 3.48Å; H33-E50 VanDerWaalsContact CE1-OE2 3.27Å; H33-E50 PolarHBondContact N-O 2.94Å; H33-E50 IonicContact NE2-OE2 2.96Å; H33-E50 PolarHBondContact O-N 2.76Å
34I97.2Very high95.1Very high34 Ų3474.9 Ų74.917%0.17437%0.369CS..EExtended strand (participates in β ladder)trans-124.5113.6167.5-61.5170.6000106.7L22 K27 V29 L47 E48 V49 T57 I59L22-I34 HydrophobicContact CD1-CG2 3.92Å; K27-I34 HydrophobicContact CB-CD1 3.97Å; K27-I34 HydrophobicContact CD-CD1 4.35Å; K27-I34 HydrophobicContact CG-CD1 3.96Å; V29-I34 HydrophobicContact CG2-CD1 3.49Å; V29-I34 VanDerWaalsContact CG2-CD1 3.49Å; V29-I34 HydrophobicContact CG2-CG1 3.75Å; I34-L47 HydrophobicContact CG2-CD1 3.84Å; I34-L47 HydrophobicContact CG2-CD2 4.5Å; I34-L47 HydrophobicContact CG2-CG 4.26Å; I34-E48 CarbonylContact C-O 3.55Å; I34-E48 VanDerWaalsContact CA-O 3.29Å; I34-E48 WeakPolarHBondContact CA-O 3.15Å; I34-V49 HydrophobicContact CG1-CG1 4.08Å; I34-V49 HydrophobicContact CG1-CG2 4.3Å; I34-V49 HydrophobicContact CG2-CG2 4.34Å; I34-T57 HydrophobicContact CG1-CG2 4.49Å; I34-I59 HydrophobicContact CD1-CG2 3.63Å
35K96.5Very high95.1Very high120 Ų12076.1 Ų76.152%0.52238%0.376SS..EExtended strand (participates in β ladder)trans-136.6154.7-176.5-68.2178.7-176.6173.70110.4H33 I37 E48H33-K35 HydrophobicContact CB-CD 4.45Å; H33-K35 HydrophobicContact CB-CG 4.36Å; K35-I37 HydrophobicContact CB-CG2 4.39Å; K35-E48 PolarHBondContact N-O 2.94Å; K35-E48 PolarHBondContact O-N 2.94Å
36R95.9Very high95Very high120 Ų12075.7 Ų75.745%0.45337%0.374SS..EExtended strand (participates in β ladder)trans-99.7123.6169.2-170.6175.464.9-174.5-0.5108.1S16 G18 L45 V46S16-R36 WeakPolarHBondContact O-CD 3.46Å; G18-R36 PolarHBondContact O-NH1 2.79Å; R36-L45 HydrophobicContact CG-CB 4.14Å; R36-L45 HydrophobicContact CG-CD2 4.25Å; R36-V46 VanDerWaalsContact CA-O 3.31Å; R36-V46 WeakPolarHBondContact CA-O 3.41Å
37I96.4Very high95Very high45 Ų4572.4 Ų72.423%0.23136%0.357CS..EExtended strand (participates in β ladder)trans-129.2161.2-177.362.4168.9000109.8K35 L45 V46 E48 R161K35-I37 HydrophobicContact CB-CG2 4.39Å; I37-L45 CarbonylContact O-C 3.58Å; I37-L45 WeakPolarHBondContact O-CA 3.3Å; I37-V46 HydrophobicContact CD1-CG2 4.34Å; I37-V46 HydrophobicContact CG1-CG2 3.71Å; I37-V46 PolarHBondContact N-O 2.83Å; I37-V46 PolarHBondContact O-N 3Å; I37-E48 HydrophobicContact CD1-CB 4.11Å; I37-E48 VanDerWaalsContact CD1-OE2 3.3Å; I37-E48 WeakPolarHBondContact CD1-OE2 3.43Å; I37-E48 HydrophobicContact CG1-CB 4.27Å; I37-R161 VanDerWaalsContact CD1-CZ 3.46Å
38T96Very high95.1Very high87 Ų8767.6 Ų67.653%0.53434%0.336SS..EExtended strand (participates in β ladder)trans-85.2120.1168.2-54.40000108.4S44T38-S44 WeakPolarHBondContact CA-O 3.5Å
39D95.1Very high95.1Very high0 Ų062.2 Ų62.20%031%0.313CS..EExtended strand (participates in β ladder)trans-83.3131.5174.7-165.9-94.1000110.1D41 I42 Q43 S44 V46 K81 W129 R161D39-D41 VanDerWaalsContact C-N 3.32Å; D39-D41 PolarHBondContact O-N 2.83Å; D39-D41 WeakPolarHBondContact OD1-CB 3.49Å; D39-D41 PolarHBondContact OD1-N 2.94Å; D39-D41 VanDerWaalsContact OD1-N 3.11Å; D39-I42 HydrophobicContact CB-CG1 3.87Å; D39-Q43 WeakPolarHBondContact O-CA 3.41Å; D39-Q43 PolarHBondContact O-N 2.76Å; D39-S44 PolarHBondContact N-O 2.88Å; D39-S44 PolarHBondContact O-N 2.67Å; D39-V46 HydrophobicContact CB-CG1 3.92Å; D39-V46 HydrophobicContact CB-CG2 3.84Å; D39-K81 VanDerWaalsContact CG-NZ 3.35Å; D39-K81 IonicContact OD1-NZ 3.75Å; D39-K81 PolarHBondContact OD1-NZ 3.49Å; D39-K81 WeakPolarHBondContact OD2-CD 3.23Å; D39-K81 IonicContact OD2-NZ 3.27Å; D39-K81 PolarHBondContact OD2-NZ 3.3Å; D39-W129 HydrophobicContact CB-CZ2 4.09Å; D39-W129 PolarHBondContact OD1-NE1 3.22Å; D39-W129 VanDerWaalsContact OD1-NE1 3.12Å; D39-R161 WeakPolarHBondContact OD2-CD 3.45Å; D39-R161 IonicContact OD2-CZ 2.84Å; D39-R161 IonicContact OD2-NE 2.83Å; D39-R161 IonicContact OD2-NH1 3.99Å; D39-R161 PolarHBondContact OD2-NH1 2.97Å
40N92.4Very high95.1Very high136 Ų13661 Ų6173%0.72730%0.302SS*.THydrogen-bonded Turntrans-68.6-29.5-176.1-65.5-17.4000113
41D90.6Very high95.2Very high53 Ų5353.2 Ų53.228%0.28328%0.275SS..THydrogen-bonded Turntrans-77.5-35.4-173.7-59.3-10.5000111.4D39 K81 L185 P186D39-D41 VanDerWaalsContact C-N 3.32Å; D39-D41 PolarHBondContact O-N 2.83Å; D39-D41 WeakPolarHBondContact OD1-CB 3.49Å; D39-D41 PolarHBondContact OD1-N 2.94Å; D39-D41 VanDerWaalsContact OD1-N 3.11Å; D41-K81 VanDerWaalsContact CG-NZ 3.26Å; D41-K81 IonicContact OD1-NZ 2.94Å; D41-K81 WeakPolarHBondContact OD2-CE 3.43Å; D41-K81 IonicContact OD2-NZ 2.76Å; D41-K81 PolarHBondContact OD2-NZ 3.46Å; D41-L185 HydrophobicContact CB-CD2 4.31Å; D41-P186 WeakPolarHBondContact O-CD 3.32Å
42I91.5Very high95.2Very high16 Ų1653.1 Ų53.18%0.08228%0.279CS..THydrogen-bonded Turntrans-107.5-0.1-179.960.6163.2000112.9D39 S44 V46 W129 R163 L183 L185D39-I42 HydrophobicContact CB-CG1 3.87Å; I42-S44 WeakPolarHBondContact O-CB 3.38Å; I42-S44 PolarHBondContact O-N 3.43Å; I42-S44 VanDerWaalsContact O-N 3.14Å; I42-V46 HydrophobicContact CD1-CG1 3.62Å; I42-V46 HydrophobicContact CG1-CG1 4.43Å; I42-W129 HydrophobicContact CD1-CH2 4.12Å; I42-W129 HydrophobicContact CD1-CZ2 3.66Å; I42-W129 HydrophobicContact CG1-CZ2 4.03Å; I42-W129 HydrophobicContact CG2-CD2 4.39Å; I42-W129 HydrophobicContact CG2-CG 4.28Å; I42-R163 HydrophobicContact CD1-CG 4.39Å; I42-L183 HydrophobicContact CG2-CD1 3.78Å; I42-L185 HydrophobicContact CG2-CD2 3.63Å
43Q91.2Very high95.1Very high149 Ų14955.2 Ų55.270%0.69628%0.282SS*.THydrogen-bonded Turntrans4841.2-177.4-62.4-178.3-17.500113.2D39 P186D39-Q43 WeakPolarHBondContact O-CA 3.41Å; D39-Q43 PolarHBondContact O-N 2.76Å; Q43-P186 HydrophobicContact CG-CG 4.18Å
44S92.4Very high94.9Very high24 Ų2453.4 Ų53.417%0.16827%0.274CS..EExtended strand (participates in β ladder)trans-143.5159.1-169.6-159.60000112.4I17 T38 D39 I42 V46I17-S44 WeakPolarHBondContact CD1-OG 3.36Å; T38-S44 WeakPolarHBondContact CA-O 3.5Å; D39-S44 PolarHBondContact N-O 2.88Å; D39-S44 PolarHBondContact O-N 2.67Å; I42-S44 WeakPolarHBondContact O-CB 3.38Å; I42-S44 PolarHBondContact O-N 3.43Å; I42-S44 VanDerWaalsContact O-N 3.14Å; S44-V46 PolarHBondContact O-N 3.14Å
45L94.7Very high94.7Very high57 Ų5755 Ų5530%0.29829%0.288SS..EExtended strand (participates in β ladder)trans-71.1130178.6-67.8173.6000110.5S16 I17 R36 I37S16-L45 VanDerWaalsContact CB-O 3.27Å; S16-L45 WeakPolarHBondContact CB-O 3.23Å; S16-L45 PolarHBondContact OG-O 3.11Å; I17-L45 HydrophobicContact CG1-CB 4.24Å; R36-L45 HydrophobicContact CG-CB 4.14Å; R36-L45 HydrophobicContact CG-CD2 4.25Å; I37-L45 CarbonylContact O-C 3.58Å; I37-L45 WeakPolarHBondContact O-CA 3.3Å
46V96.8Very high94.6Very high0 Ų050.5 Ų50.50%027%0.271CS..EExtended strand (participates in β ladder)trans-130.8153.3177.1-58.20000110.1R36 I37 D39 I42 S44 W129 R161R36-V46 VanDerWaalsContact CA-O 3.31Å; R36-V46 WeakPolarHBondContact CA-O 3.41Å; I37-V46 HydrophobicContact CD1-CG2 4.34Å; I37-V46 HydrophobicContact CG1-CG2 3.71Å; I37-V46 PolarHBondContact N-O 2.83Å; I37-V46 PolarHBondContact O-N 3Å; D39-V46 HydrophobicContact CB-CG1 3.92Å; D39-V46 HydrophobicContact CB-CG2 3.84Å; I42-V46 HydrophobicContact CD1-CG1 3.62Å; I42-V46 HydrophobicContact CG1-CG1 4.43Å; S44-V46 PolarHBondContact O-N 3.14Å; V46-W129 HydrophobicContact CB-CH2 4.12Å; V46-W129 HydrophobicContact CG1-CH2 3.48Å; V46-W129 VanDerWaalsContact CG1-CH2 3.48Å; V46-W129 HydrophobicContact CG1-CZ2 3.65Å; V46-R161 HydrophobicContact CB-CB 4.43Å; V46-R161 HydrophobicContact CG2-CB 4.06Å; V46-R161 HydrophobicContact CG2-CG 4.28Å
47L97.4Very high94.7Very high9 Ų944.8 Ų44.85%0.04725%0.249CC..EExtended strand (participates in β ladder)trans-91.8111.1174-173.276.5000109.1L14 L22 I34 V49 I59 R161 I162L14-L47 HydrophobicContact CD1-CD2 4.1Å; L22-L47 HydrophobicContact CD1-CD1 4.03Å; L22-L47 HydrophobicContact CD1-CD2 4.03Å; L22-L47 HydrophobicContact CD2-CD2 3.65Å; L22-L47 HydrophobicContact CG-CD1 4.44Å; L22-L47 HydrophobicContact CG-CD2 4.05Å; I34-L47 HydrophobicContact CG2-CD1 3.84Å; I34-L47 HydrophobicContact CG2-CD2 4.5Å; I34-L47 HydrophobicContact CG2-CG 4.26Å; L47-V49 HydrophobicContact CD2-CG2 4.25Å; L47-V49 HydrophobicContact CG-CG2 4.38Å; L47-I59 HydrophobicContact CD2-CD1 4.08Å; L47-R161 CarbonylContact O-C 3.48Å; L47-R161 WeakPolarHBondContact O-CA 3.24Å; L47-I162 HydrophobicContact CB-CB 4.5Å; L47-I162 PolarHBondContact N-O 3.25Å; L47-I162 PolarHBondContact O-N 2.95Å
48E97.8Very high94.7Very high16 Ų1644.5 Ų44.58%0.07525%0.246CC..EExtended strand (participates in β ladder)trans-87.8126.3172.3-172.8172.879.700109.7H33 I34 K35 I37 E50 R161H33-E48 IonicContact CD2-OE1 3.74Å; H33-E48 IonicContact CE1-OE1 3.89Å; H33-E48 IonicContact NE2-OE1 2.86Å; H33-E48 PolarHBondContact NE2-OE1 2.96Å; I34-E48 CarbonylContact C-O 3.55Å; I34-E48 VanDerWaalsContact CA-O 3.29Å; I34-E48 WeakPolarHBondContact CA-O 3.15Å; K35-E48 PolarHBondContact N-O 2.94Å; K35-E48 PolarHBondContact O-N 2.94Å; I37-E48 HydrophobicContact CD1-CB 4.11Å; I37-E48 VanDerWaalsContact CD1-OE2 3.3Å; I37-E48 WeakPolarHBondContact CD1-OE2 3.43Å; I37-E48 HydrophobicContact CG1-CB 4.27Å; E48-E50 HydrophobicContact CG-CB 4.39Å; E48-R161 HydrophobicContact CB-CG 4.15Å; E48-R161 HydrophobicContact CG-CG 4.1Å; E48-R161 IonicContact OE2-CZ 3.29Å; E48-R161 VanDerWaalsContact OE2-CZ 3.27Å; E48-R161 IonicContact OE2-NE 3.27Å; E48-R161 PolarHBondContact OE2-NE 3.38Å; E48-R161 IonicContact OE2-NH2 3.58Å; E48-R161 PolarHBondContact OE2-NH2 3.3Å
49V97.4Very high94.8Very high0 Ų040.4 Ų40.40%022%0.22CC..EExtended strand (participates in β ladder)trans-119.6109171.7-176.50000105.9I34 L47 T57 I59 A158 N159 C160 I162I34-V49 HydrophobicContact CG1-CG1 4.08Å; I34-V49 HydrophobicContact CG1-CG2 4.3Å; I34-V49 HydrophobicContact CG2-CG2 4.34Å; L47-V49 HydrophobicContact CD2-CG2 4.25Å; L47-V49 HydrophobicContact CG-CG2 4.38Å; V49-T57 HydrophobicContact CG1-CG2 3.93Å; V49-I59 HydrophobicContact CG2-CG2 4.48Å; V49-A158 CarbonylContact O-C 3.53Å; V49-N159 WeakPolarHBondContact O-CA 3.43Å; V49-N159 PolarHBondContact O-N 3.16Å; V49-C160 PolarHBondContact N-O 2.7Å; V49-C160 PolarHBondContact O-N 3.31Å; V49-C160 VanDerWaalsContact O-N 3.15Å; V49-I162 HydrophobicContact CG2-CD1 4.16Å
50E96.9Very high95Very high44 Ų4440.9 Ų40.921%0.20622%0.223CC..EExtended strand (participates in β ladder)trans-130.4145.3-175.3-170.3171.3-167.900110.8G32 H33 E48 K85G32-E50 CarbonylContact C-O 3.59Å; G32-E50 WeakPolarHBondContact CA-O 3.44Å; H33-E50 IonicContact CE1-OE2 3.98Å; H33-E50 PolarHBondContact CE1-OE2 3.48Å; H33-E50 VanDerWaalsContact CE1-OE2 3.27Å; H33-E50 PolarHBondContact N-O 2.94Å; H33-E50 IonicContact NE2-OE2 2.96Å; H33-E50 PolarHBondContact O-N 2.76Å; E48-E50 HydrophobicContact CG-CB 4.39Å; E50-K85 IonicContact OE1-NZ 2.6Å; E50-K85 PolarHBondContact OE1-NZ 3.43Å
51G95.7Very high95.2Very high6 Ų634.4 Ų34.46%0.06219%0.188CC..EExtended strand (participates in β ladder)trans-169.4146.618000000112.4N53 N159G51-N53 VanDerWaalsContact C-N 3.31Å; G51-N53 PolarHBondContact O-N 2.9Å; G51-N159 PolarHBondContact N-OD1 3.15Å; G51-N159 PolarHBondContact O-ND2 2.94Å; G51-N159 PolarHBondContact O-OD1 2.95Å
52T94.3Very high95.6Very high115 Ų11532 Ų3271%0.70618%0.176SC*.SBendtrans-59.5-41.3178510000112.1N31N31-T52 WeakPolarHBondContact CB-OG1 3.5Å; N31-T52 PolarHBondContact O-N 2.63Å; N31-T52 PolarHBondContact O-OG1 3.06Å
53N93Very high95.8Very high78 Ų7833.2 Ų33.242%0.41719%0.189SC..SBendtrans-111.3117.3173.8-176.1-21.2000110.4G51 S55 T56G51-N53 VanDerWaalsContact C-N 3.31Å; G51-N53 PolarHBondContact O-N 2.9Å; N53-S55 PolarHBondContact O-N 2.92Å; N53-S55 VanDerWaalsContact O-N 3.14Å; N53-S55 WeakPolarHBondContact OD1-CB 3.38Å; N53-S55 PolarHBondContact OD1-N 2.77Å; N53-S55 PolarHBondContact OD1-OG 2.9Å; N53-T56 HydrophobicContact CB-CG2 4.16Å; N53-T56 PolarHBondContact O-N 2.79Å; N53-T56 VanDerWaalsContact O-N 3.11Å; N53-T56 PolarHBondContact O-OG1 3.45Å
54V93.6Very high96Very high13 Ų1329 Ų298%0.07917%0.17CC..THydrogen-bonded Turntrans-53.5-36.5-179.8-174.80000112.2T56 Y86 T88 Y108 H157V54-T56 VanDerWaalsContact C-N 3.33Å; V54-T56 PolarHBondContact O-N 3.12Å; V54-Y86 VanDerWaalsContact CG2-CB 3.48Å; V54-Y86 WeakPolarHBondContact CG2-O 2.99Å; V54-T88 HydrophobicContact CG1-CG2 3.63Å; V54-Y108 HydrophobicContact CG1-CE1 4.46Å; V54-H157 HydrophobicContact CG1-CB 3.7Å; V54-H157 WeakPolarHBondContact O-CB 3.38Å; V54-H157 PolarHBondContact O-ND1 2.82Å
55S92.7Very high96Very high66 Ų6632.8 Ų32.846%0.46220%0.195SC..THydrogen-bonded Turntrans-76.7-16.9-175.267.50000114.3N53 Y58N53-S55 PolarHBondContact O-N 2.92Å; N53-S55 VanDerWaalsContact O-N 3.14Å; N53-S55 WeakPolarHBondContact OD1-CB 3.38Å; N53-S55 PolarHBondContact OD1-N 2.77Å; N53-S55 PolarHBondContact OD1-OG 2.9Å; S55-Y58 WeakPolarHBondContact O-CD1 3.38Å; S55-Y58 WeakPolarHBondContact O-CE1 3.29Å
56T95.2Very high96Very high26 Ų2639.4 Ų39.416%0.1622%0.221CC..THydrogen-bonded Turntrans-105-13.2-17164.20000114.5R30 N53 V54R30-T56 PolarHBondContact O-OG1 3.11Å; N53-T56 HydrophobicContact CB-CG2 4.16Å; N53-T56 PolarHBondContact O-N 2.79Å; N53-T56 VanDerWaalsContact O-N 3.11Å; N53-T56 PolarHBondContact O-OG1 3.45Å; V54-T56 VanDerWaalsContact C-N 3.33Å; V54-T56 PolarHBondContact O-N 3.12Å
57T97.1Very high95.9Very high0 Ų045.4 Ų45.40%025%0.247CC..SBendtrans-120116.6174.2-62.70000109.4K28 V29 R30 I34 V49 A158K28-T57 CarbonylContact O-C 3.43Å; K28-T57 VanDerWaalsContact O-CA 3.26Å; K28-T57 WeakPolarHBondContact O-CA 3.27Å; V29-T57 HydrophobicContact CG1-CG2 4.24Å; V29-T57 HydrophobicContact CG2-CG2 4.3Å; R30-T57 PolarHBondContact N-OG1 2.83Å; R30-T57 PolarHBondContact O-OG1 2.84Å; I34-T57 HydrophobicContact CG1-CG2 4.49Å; V49-T57 HydrophobicContact CG1-CG2 3.93Å; T57-A158 HydrophobicContact CG2-CB 4.24Å; T57-A158 WeakPolarHBondContact O-CB 3.49Å; T57-A158 PolarHBondContact O-N 2.64Å
58Y97.9Very high95.8Very high40 Ų4047.4 Ų47.416%0.15726%0.26CS..EExtended strand (participates in β ladder)trans-159160.6-177.857-100.4000111.8K28 S55 T60 Q155 I156K28-Y58 HydrophobicContact CB-CD2 4.19Å; K28-Y58 HydrophobicContact CB-CE1 4.21Å; K28-Y58 HydrophobicContact CB-CE2 3.87Å; K28-Y58 HydrophobicContact CD-CE1 3.68Å; K28-Y58 HydrophobicContact CD-CE2 4.13Å; K28-Y58 WeakPolarHBondContact CD-OH 3.34Å; K28-Y58 HydrophobicContact CG-CE1 4.42Å; K28-Y58 PolarHBondContact N-O 2.94Å; K28-Y58 PolarHBondContact NZ-OH 3.02Å; K28-Y58 PolarHBondContact O-N 2.97Å; S55-Y58 WeakPolarHBondContact O-CD1 3.38Å; S55-Y58 WeakPolarHBondContact O-CE1 3.29Å; Y58-T60 WeakPolarHBondContact CD2-OG1 2.97Å; Y58-Q155 HydrophobicContact CD2-CG 3.95Å; Y58-Q155 HydrophobicContact CG-CG 4.22Å; Y58-I156 CarbonylContact C-O 3.59Å; Y58-I156 VanDerWaalsContact CA-O 3.23Å; Y58-I156 WeakPolarHBondContact CA-O 3.43Å; Y58-I156 VanDerWaalsContact CB-O 3.3Å; Y58-I156 WeakPolarHBondContact CB-O 3.2Å
59I98.1Very high95.7Very high0 Ų046.6 Ų46.60%026%0.256CS..EExtended strand (participates in β ladder)trans-111.8145167.858.1175.1000109.8L14 L22 W25 D26 K27 I34 L47 V49 Q155 I156 I162L14-I59 HydrophobicContact CD1-CD1 3.74Å; L22-I59 HydrophobicContact CD2-CD1 4.04Å; L22-I59 HydrophobicContact CD2-CG2 4.33Å; W25-I59 HydrophobicContact CD2-CD1 4.28Å; W25-I59 HydrophobicContact CE3-CB 3.85Å; W25-I59 HydrophobicContact CE3-CD1 3.74Å; W25-I59 HydrophobicContact CE3-CG1 3.71Å; W25-I59 HydrophobicContact CZ3-CB 4.49Å; W25-I59 HydrophobicContact CZ3-CD1 3.95Å; W25-I59 HydrophobicContact CZ3-CG1 3.9Å; D26-I59 CarbonylContact O-C 3.58Å; D26-I59 VanDerWaalsContact O-CA 3.27Å; D26-I59 WeakPolarHBondContact O-CA 3.4Å; K27-I59 HydrophobicContact CG-CG2 4.14Å; I34-I59 HydrophobicContact CD1-CG2 3.63Å; L47-I59 HydrophobicContact CD2-CD1 4.08Å; V49-I59 HydrophobicContact CG2-CG2 4.48Å; I59-Q155 VanDerWaalsContact O-CA 3.29Å; I59-Q155 WeakPolarHBondContact O-CA 3.43Å; I59-I156 HydrophobicContact CD1-CB 4.45Å; I59-I156 HydrophobicContact CG1-CB 4Å; I59-I156 PolarHBondContact N-O 2.89Å; I59-I156 PolarHBondContact O-N 2.94Å; I59-I162 HydrophobicContact CD1-CD1 3.83Å
60T98Very high95.7Very high10 Ų1046.7 Ų46.76%0.06126%0.257CS..EExtended strand (participates in β ladder)trans-133.5133.5-177.5-610000111.4W25 D26 Y58 R153 V154W25-T60 CarbonylContact C-O 3.56Å; W25-T60 VanDerWaalsContact CA-O 3.29Å; W25-T60 WeakPolarHBondContact CA-O 3.37Å; D26-T60 PolarHBondContact N-O 2.83Å; D26-T60 PolarHBondContact O-N 3.42Å; Y58-T60 WeakPolarHBondContact CD2-OG1 2.97Å; T60-R153 HydrophobicContact CG2-CG 3.8Å; T60-V154 WeakPolarHBondContact CA-O 3.39Å
61C97.6Very high95.7Very high0 Ų044.6 Ų44.60%025%0.247CC..EExtended strand (participates in β ladder)trans-121.9126.4176.6-1690000110.5I24 W25 L69 R153 V154I24-C61 VanDerWaalsContact CD1-SG 3.53Å; W25-C61 HydrophobicContact CD2-CB 3.57Å; W25-C61 HydrophobicContact CE3-CB 3.54Å; W25-C61 HydrophobicContact CG-CB 4.26Å; W25-C61 HydrophobicContact CH2-CB 3.74Å; W25-C61 HydrophobicContact CZ2-CB 3.75Å; W25-C61 HydrophobicContact CZ3-CB 3.63Å; C61-L69 VanDerWaalsContact SG-CD2 3.56Å; C61-R153 CarbonylContact O-C 3.52Å; C61-R153 VanDerWaalsContact O-CA 3.26Å; C61-R153 WeakPolarHBondContact O-CA 3.39Å; C61-R153 WeakPolarHBondContact O-CG 3.23Å; C61-V154 PolarHBondContact N-O 2.66Å; C61-V154 PolarHBondContact O-N 3.2Å
62P97.3Very high95.7Very high3 Ų350.2 Ų50.22%0.01927%0.27CS..SBendcis-79.31604.333-33.9000112.7I24 D64 K67 R153I24-P62 CarbonylContact O-C 3.59Å; I24-P62 WeakPolarHBondContact O-CA 3.45Å; P62-D64 VanDerWaalsContact C-N 3.3Å; P62-D64 PolarHBondContact O-N 2.84Å; P62-K67 HydrophobicContact CB-CB 4.38Å; P62-K67 HydrophobicContact CG-CB 3.98Å; P62-K67 WeakPolarHBondContact CG-O 3.46Å; P62-R153 PolarHBondContact O-NH1 2.81Å
63A96.3Very high95.8Very high42 Ų4245.1 Ų45.135%0.34724%0.238SC..SBendtrans-59.5-38.3179.700000113.3I24 D26 P65I24-A63 PolarHBondContact O-N 3.35Å; D26-A63 HydrophobicContact CB-CB 4.05Å; A63-P65 WeakPolarHBondContact O-CD 3.27Å
64D95Very high96Very high59 Ų5942.8 Ų42.832%0.31623%0.227SC..SBendtrans-78.6121.4175.3-176.6-13.2000110.5P62 K66 K67 R153P62-D64 VanDerWaalsContact C-N 3.3Å; P62-D64 PolarHBondContact O-N 2.84Å; D64-K66 PolarHBondContact O-N 3.18Å; D64-K66 WeakPolarHBondContact OD1-CB 3.48Å; D64-K66 PolarHBondContact OD1-N 3.09Å; D64-K67 HydrophobicContact CB-CB 4.09Å; D64-K67 HydrophobicContact CB-CD 3.95Å; D64-K67 HydrophobicContact CB-CG 3.92Å; D64-K67 PolarHBondContact O-N 3.04Å; D64-K67 WeakPolarHBondContact OD2-CE 3.33Å; D64-R153 PolarHBondContact O-NH2 2.89Å
65P93.6Very high96.2Very high105 Ų10543.4 Ų43.468%0.68223%0.229SC*.THydrogen-bonded Turntrans-58.5-27.9176.1-25.335.7000114.2A63 R153A63-P65 WeakPolarHBondContact O-CD 3.27Å; P65-R153 VanDerWaalsContact CA-NH2 3.34Å; P65-R153 PolarHBondContact O-NH2 3.25Å
66K94.1Very high96.4Very high195 Ų19540.2 Ų40.285%0.84821%0.207SC*.THydrogen-bonded Turntrans-81.3-20.1-179.2-61.2-177.9-179.9179.30113D64D64-K66 PolarHBondContact O-N 3.18Å; D64-K66 WeakPolarHBondContact OD1-CB 3.48Å; D64-K66 PolarHBondContact OD1-N 3.09Å
67K94.8Very high96.5Very high126 Ų12639.1 Ų39.155%0.54820%0.2SC..  trans-88.7159178.7-67.5-177.6-174.5179.50111.3P62 D64 R153P62-K67 HydrophobicContact CB-CB 4.38Å; P62-K67 HydrophobicContact CG-CB 3.98Å; P62-K67 WeakPolarHBondContact CG-O 3.46Å; D64-K67 HydrophobicContact CB-CB 4.09Å; D64-K67 HydrophobicContact CB-CD 3.95Å; D64-K67 HydrophobicContact CB-CG 3.92Å; D64-K67 PolarHBondContact O-N 3.04Å; D64-K67 WeakPolarHBondContact OD2-CE 3.33Å; K67-R153 PolarHBondContact O-NH2 3.42Å
68T96.2Very high96.5Very high51 Ų5139.1 Ų39.131%0.31320%0.2SC..  trans-120.1156.2171.763.50000110.2M1 L152M1-T68 PolarHBondContact N-O 3.02Å; T68-L152 CarbonylContact C-O 3.51Å; T68-L152 WeakPolarHBondContact CA-O 3.37Å; T68-L152 HydrophobicContact CG2-CB 4.31Å; T68-L152 HydrophobicContact CG2-CD2 4.01Å
69L95.7Very high96.4Very high0 Ų037.3 Ų37.30%019%0.193CC..  trans-63.1-59.4171.3-82.9170.3000110.2M1 F2 I13 C61 I71 T151 L152 V154M1-L69 PolarHBondContact N-O 2.86Å; F2-L69 HydrophobicContact CD2-CD2 3.74Å; F2-L69 HydrophobicContact CE2-CD2 3.65Å; F2-L69 PolarHBondContact N-O 3.48Å; I13-L69 HydrophobicContact CG2-CD2 4.49Å; C61-L69 VanDerWaalsContact SG-CD2 3.56Å; L69-I71 HydrophobicContact CB-CD1 4.13Å; L69-I71 HydrophobicContact CB-CG1 4.13Å; L69-I71 HydrophobicContact CD1-CD1 4.28Å; L69-I71 HydrophobicContact CD2-CD1 4Å; L69-I71 HydrophobicContact CG-CD1 4.37Å; L69-T151 WeakPolarHBondContact CB-O 3.46Å; L69-T151 HydrophobicContact CD1-CG2 4.24Å; L69-L152 PolarHBondContact N-O 2.79Å; L69-V154 HydrophobicContact CD1-CG2 3.95Å
70G96Very high96.3Very high1 Ų137.3 Ų37.31%0.0119%0.193CC..  trans76.142.3-177.500000112.1Q7 E150 T151Q7-G70 PolarHBondContact NE2-O 2.55Å; G70-E150 WeakPolarHBondContact CA-OE2 3.39Å; G70-T151 PolarHBondContact N-O 2.87Å
71I97.1Very high96.3Very high0 Ų037.9 Ų37.90%020%0.195CC..BIsolated β-bridgetrans-99.5125.1-178.9-63.7171.9000109.1F2 Q7 L11 I13 L69 L73 Y148 E150 T151 F167F2-I71 HydrophobicContact CB-CG1 3.98Å; F2-I71 HydrophobicContact CD2-CD1 4.02Å; F2-I71 HydrophobicContact CD2-CG1 4.09Å; F2-I71 HydrophobicContact CG-CD1 4.48Å; F2-I71 HydrophobicContact CG-CG1 4.24Å; Q7-I71 VanDerWaalsContact OE1-CA 3.25Å; L11-I71 HydrophobicContact CD2-CB 4.44Å; L11-I71 HydrophobicContact CD2-CD1 3.69Å; L11-I71 HydrophobicContact CD2-CG1 3.64Å; L11-I71 HydrophobicContact CD2-CG2 4.01Å; I13-I71 HydrophobicContact CG2-CD1 3.67Å; L69-I71 HydrophobicContact CB-CD1 4.13Å; L69-I71 HydrophobicContact CB-CG1 4.13Å; L69-I71 HydrophobicContact CD1-CD1 4.28Å; L69-I71 HydrophobicContact CD2-CD1 4Å; L69-I71 HydrophobicContact CG-CD1 4.37Å; I71-L73 HydrophobicContact CG2-CB 4Å; I71-L73 HydrophobicContact CG2-CG 4.34Å; I71-Y148 PolarHBondContact O-OH 3.14Å; I71-E150 CarbonylContact O-C 3.58Å; I71-E150 WeakPolarHBondContact O-CA 3.39Å; I71-E150 WeakPolarHBondContact O-CB 3.35Å; I71-T151 PolarHBondContact N-O 2.9Å; I71-T151 PolarHBondContact O-N 2.79Å; I71-F167 HydrophobicContact CD1-CD2 3.68Å; I71-F167 HydrophobicContact CD1-CE2 3.46Å; I71-F167 VanDerWaalsContact CD1-CE2 3.46Å; I71-F167 HydrophobicContact CD1-CG 4.48Å; I71-F167 HydrophobicContact CD1-CZ 4.12Å; I71-F167 HydrophobicContact CG2-CB 4.04Å; I71-F167 HydrophobicContact CG2-CD1 3.75Å; I71-F167 HydrophobicContact CG2-CD2 3.95Å; I71-F167 HydrophobicContact CG2-CE1 4.12Å; I71-F167 HydrophobicContact CG2-CE2 4.31Å; I71-F167 HydrophobicContact CG2-CG 3.66Å; I71-F167 HydrophobicContact CG2-CZ 4.39Å
72K96.6Very high96.2Very high124 Ų12439 Ų3954%0.53920%0.201SC..  trans-98.3-6.3-176.4-59-177.3-178.9179.70113.8Y148 E150K72-Y148 WeakPolarHBondContact O-CE1 3.45Å; K72-E150 HydrophobicContact CG-CB 4.4Å
73L96.8Very high96.1Very high9 Ų940.8 Ų40.85%0.04721%0.21CC..  trans-65.1131.9176.7-65.4180000110Q7 L11 I71 Y148 F167 D169Q7-L73 HydrophobicContact CB-CD2 4.43Å; Q7-L73 HydrophobicContact CB-CG 4.25Å; L11-L73 HydrophobicContact CB-CD1 3.69Å; I71-L73 HydrophobicContact CG2-CB 4Å; I71-L73 HydrophobicContact CG2-CG 4.34Å; L73-Y148 WeakPolarHBondContact O-CE1 3.4Å; L73-Y148 PolarHBondContact O-OH 2.76Å; L73-F167 HydrophobicContact CB-CB 3.66Å; L73-F167 HydrophobicContact CB-CD1 4.46Å; L73-F167 HydrophobicContact CB-CG 4.46Å; L73-F167 HydrophobicContact CD1-CB 3.73Å; L73-F167 HydrophobicContact CG-CB 4.32Å; L73-D169 HydrophobicContact CD2-CB 3.9Å
74P96.7Very high96Very high28 Ų2845.8 Ų45.818%0.18222%0.223CC..SBendtrans-79.2-25.3-171.128.9-34.9000114.7L136 S168 D169P74-L136 VanDerWaalsContact O-CB 3.28Å; P74-L136 WeakPolarHBondContact O-CB 3.3Å; P74-L136 PolarHBondContact O-N 3.45Å; P74-S168 WeakPolarHBondContact CD-O 3.45Å; P74-D169 VanDerWaalsContact CG-O 3.24Å; P74-D169 WeakPolarHBondContact CG-O 2.98Å
75F97.4Very high96Very high26 Ų2647.4 Ų47.411%0.11423%0.228CC..EExtended strand (participates in β ladder)trans-101.8126.8-179-63.3-83.6000110.2F134 N135 F167 S168 L171F75-F134 WeakPolarHBondContact CA-O 3.38Å; F75-N135 HydrophobicContact CD1-CB 3.96Å; F75-N135 HydrophobicContact CE1-CB 3.66Å; F75-N135 VanDerWaalsContact CE1-CG 3.46Å; F75-N135 WeakPolarHBondContact CE1-ND2 3.34Å; F75-F167 CarbonylContact O-C 3.57Å; F75-F167 WeakPolarHBondContact O-CA 3.39Å; F75-F167 WeakPolarHBondContact O-CB 3.24Å; F75-S168 WeakPolarHBondContact CB-OG 3.48Å; F75-S168 PolarHBondContact N-O 3.47Å; F75-S168 VanDerWaalsContact N-O 3.11Å; F75-S168 PolarHBondContact O-N 2.7Å; F75-L171 HydrophobicContact CB-CD2 4.38Å; F75-L171 HydrophobicContact CD1-CD1 4.44Å; F75-L171 HydrophobicContact CD1-CD2 3.29Å; F75-L171 HydrophobicContact CD1-CG 3.71Å; F75-L171 HydrophobicContact CE1-CD1 3.91Å; F75-L171 HydrophobicContact CE1-CD2 3.61Å; F75-L171 HydrophobicContact CE1-CG 3.44Å; F75-L171 VanDerWaalsContact CE1-CG 3.44Å; F75-L171 HydrophobicContact CG-CD2 3.83Å; F75-L171 HydrophobicContact CG-CG 4.32Å; F75-L171 HydrophobicContact CZ-CD2 4.4Å; F75-L171 HydrophobicContact CZ-CG 3.9Å
76L97.7Very high96.1Very high0 Ų049.9 Ų49.90%023%0.225CC..EExtended strand (participates in β ladder)trans-100.6125.4165.2169.267.8000108.1M78 V91 F134 L136 V165 F167L76-M78 HydrophobicContact CD1-CG 4.49Å; L76-M78 HydrophobicContact CD2-CE 4.38Å; L76-M78 HydrophobicContact CG-CG 4.46Å; L76-V91 HydrophobicContact CD2-CG2 3.42Å; L76-V91 VanDerWaalsContact CD2-CG2 3.42Å; L76-F134 HydrophobicContact CB-CB 4.25Å; L76-F134 PolarHBondContact N-O 3.13Å; L76-F134 WeakPolarHBondContact O-CB 3.33Å; L76-F134 PolarHBondContact O-N 2.98Å; L76-L136 HydrophobicContact CB-CD1 4.02Å; L76-L136 HydrophobicContact CB-CG 4.48Å; L76-V165 HydrophobicContact CD1-CG1 3.71Å; L76-F167 HydrophobicContact CB-CD1 4.2Å; L76-F167 HydrophobicContact CB-CE1 4.01Å; L76-F167 HydrophobicContact CD1-CD1 4.43Å; L76-F167 HydrophobicContact CD1-CD2 4.27Å; L76-F167 HydrophobicContact CD1-CE1 4.11Å; L76-F167 HydrophobicContact CD1-CE2 3.93Å; L76-F167 HydrophobicContact CD1-CZ 3.83Å
77V96.8Very high96.3Very high2 Ų240.7 Ų40.71%0.01219%0.185CC..EExtended strand (participates in β ladder)trans-119.4132.2178.8-172.70000110.3Q131 I132 Q133 V165 Y166V77-Q131 HydrophobicContact CG1-CG 3.61Å; V77-I132 CarbonylContact C-O 3.58Å; V77-I132 VanDerWaalsContact CA-O 3.26Å; V77-I132 WeakPolarHBondContact CA-O 3.39Å; V77-Q133 HydrophobicContact CG1-CG 4.24Å; V77-Q133 HydrophobicContact CG2-CG 4.25Å; V77-V165 WeakPolarHBondContact O-CA 3.46Å; V77-Y166 HydrophobicContact CB-CD1 4.11Å; V77-Y166 HydrophobicContact CB-CD2 4.21Å; V77-Y166 HydrophobicContact CB-CE1 3.66Å; V77-Y166 HydrophobicContact CB-CE2 3.76Å; V77-Y166 HydrophobicContact CB-CG 4.39Å; V77-Y166 VanDerWaalsContact CB-CZ 3.48Å; V77-Y166 HydrophobicContact CG1-CD1 4.41Å; V77-Y166 HydrophobicContact CG1-CE1 3.55Å; V77-Y166 HydrophobicContact CG1-CE2 4.25Å; V77-Y166 VanDerWaalsContact CG1-CZ 3.47Å; V77-Y166 WeakPolarHBondContact CG1-OH 3.35Å; V77-Y166 HydrophobicContact CG2-CE2 3.96Å; V77-Y166 PolarHBondContact N-O 2.86Å; V77-Y166 PolarHBondContact O-N 3.16Å; V77-Y166 VanDerWaalsContact O-O 3.11Å
78M96.8Very high96.4Very high0 Ų034.8 Ų34.80%016%0.159CC..EExtended strand (participates in β ladder)trans-128.8128.6178.3-64.5-178.3-75.200110.6L76 I80 F89 Q131 I132 I156 V165L76-M78 HydrophobicContact CD1-CG 4.49Å; L76-M78 HydrophobicContact CD2-CE 4.38Å; L76-M78 HydrophobicContact CG-CG 4.46Å; M78-I80 HydrophobicContact CB-CG2 4.09Å; M78-F89 HydrophobicContact CE-CB 4.48Å; M78-F89 HydrophobicContact CE-CD1 3.6Å; M78-F89 HydrophobicContact CE-CD2 3.53Å; M78-F89 HydrophobicContact CE-CE1 3.48Å; M78-F89 VanDerWaalsContact CE-CE1 3.48Å; M78-F89 HydrophobicContact CE-CE2 3.45Å; M78-F89 VanDerWaalsContact CE-CE2 3.45Å; M78-F89 HydrophobicContact CE-CG 3.61Å; M78-F89 HydrophobicContact CE-CZ 3.42Å; M78-F89 VanDerWaalsContact CE-CZ 3.42Å; M78-F89 HydrophobicContact SD-CD2 4.38Å; M78-F89 HydrophobicContact SD-CG 4.33Å; M78-Q131 WeakPolarHBondContact O-CA 2.99Å; M78-I132 HydrophobicContact CB-CB 4.49Å; M78-I132 HydrophobicContact CE-CB 4.48Å; M78-I132 HydrophobicContact CE-CD1 4.25Å; M78-I132 HydrophobicContact CE-CG2 4.33Å; M78-I132 PolarHBondContact N-O 3.14Å; M78-I132 PolarHBondContact O-N 3.07Å; M78-I156 HydrophobicContact SD-CD1 3.96Å; M78-I156 HydrophobicContact SD-CG1 4.35Å; M78-V165 HydrophobicContact CG-CB 4.33Å; M78-V165 HydrophobicContact CG-CG1 3.77Å; M78-V165 HydrophobicContact CG-CG2 3.99Å
79I96.1Very high96.5Very high3 Ų332.4 Ų32.42%0.01514%0.144CC..EExtended strand (participates in β ladder)trans-99.5106172.7-56.9178.7000107.4W129 N130 R163 R164 F181 L183I79-W129 HydrophobicContact CG2-CE3 3.9Å; I79-W129 HydrophobicContact CG2-CZ3 4.12Å; I79-N130 WeakPolarHBondContact CA-O 3.37Å; I79-R163 HydrophobicContact CB-CB 4.16Å; I79-R163 HydrophobicContact CG2-CB 3.85Å; I79-R163 HydrophobicContact CG2-CG 4.32Å; I79-R163 PolarHBondContact O-N 3.09Å; I79-R164 HydrophobicContact CD1-CB 4.16Å; I79-R164 HydrophobicContact CG1-CB 4.48Å; I79-R164 PolarHBondContact N-O 3.31Å; I79-F181 WeakPolarHBondContact CD1-O 3.37Å; I79-L183 HydrophobicContact CG2-CD1 3.99Å
80I96.5Very high96.6Very high0 Ų032.9 Ų32.90%015%0.147CC..EExtended strand (participates in β ladder)trans-130.5149.4-175.168.6164.6000112.2M78 F87 L125 W129 N130 I132 R161 I162M78-I80 HydrophobicContact CB-CG2 4.09Å; I80-F87 HydrophobicContact CD1-CD1 3.95Å; I80-F87 HydrophobicContact CD1-CE1 3.36Å; I80-F87 HydrophobicContact CD1-CZ 3.73Å; I80-L125 HydrophobicContact CD1-CD1 4.05Å; I80-L125 HydrophobicContact CD1-CD2 4.2Å; I80-W129 VanDerWaalsContact C-CE3 3.47Å; I80-N130 HydrophobicContact CG1-CB 4.49Å; I80-N130 PolarHBondContact N-O 2.81Å; I80-N130 PolarHBondContact O-N 3.11Å; I80-I132 HydrophobicContact CD1-CD1 3.34Å; I80-I132 HydrophobicContact CD1-CG1 4.39Å; I80-I132 HydrophobicContact CG1-CD1 3.77Å; I80-I132 HydrophobicContact CG1-CG1 4.4Å; I80-R161 CarbonylContact C-O 3.48Å; I80-R161 WeakPolarHBondContact CA-O 3.31Å; I80-I162 HydrophobicContact CG2-CG1 4.37Å
81K97Very high96.7Very high22 Ų2232.8 Ų32.810%0.09615%0.146CC..EExtended strand (participates in β ladder)trans-94.6127.3169.2-158.4179.5-170.3166.70110.2D39 D41 L83 G128 W129 R161D39-K81 VanDerWaalsContact CG-NZ 3.35Å; D39-K81 IonicContact OD1-NZ 3.75Å; D39-K81 PolarHBondContact OD1-NZ 3.49Å; D39-K81 WeakPolarHBondContact OD2-CD 3.23Å; D39-K81 IonicContact OD2-NZ 3.27Å; D39-K81 PolarHBondContact OD2-NZ 3.3Å; D41-K81 VanDerWaalsContact CG-NZ 3.26Å; D41-K81 IonicContact OD1-NZ 2.94Å; D41-K81 WeakPolarHBondContact OD2-CE 3.43Å; D41-K81 IonicContact OD2-NZ 2.76Å; D41-K81 PolarHBondContact OD2-NZ 3.46Å; K81-L83 HydrophobicContact CD-CD2 4.35Å; K81-L83 HydrophobicContact CG-CD2 4.46Å; K81-L83 PolarHBondContact O-N 3.4Å; K81-G128 CarbonylContact C-O 3.59Å; K81-G128 WeakPolarHBondContact CA-O 3.24Å; K81-W129 HydrophobicContact CB-CD2 3.92Å; K81-W129 HydrophobicContact CB-CE3 4.01Å; K81-W129 HydrophobicContact CB-CH2 4.05Å; K81-W129 HydrophobicContact CB-CZ2 3.96Å; K81-W129 HydrophobicContact CB-CZ3 4.08Å; K81-W129 HydrophobicContact CD-CZ2 4.15Å; K81-W129 HydrophobicContact CG-CD2 4.17Å; K81-W129 HydrophobicContact CG-CG 4.3Å; K81-W129 HydrophobicContact CG-CZ2 4.43Å; K81-R161 HydrophobicContact CB-CB 3.88Å; K81-R161 PolarHBondContact N-O 2.8Å
82N95.4Very high96.8Very high23 Ų2335.2 Ų35.212%0.12316%0.157CC..EExtended strand (participates in β ladder)trans-74116.8169.9-178.710.2000109.6K84 L125 D126 G128N82-K84 VanDerWaalsContact C-N 3.32Å; N82-K84 PolarHBondContact OD1-N 2.9Å; N82-L125 HydrophobicContact CB-CB 3.98Å; N82-L125 HydrophobicContact CB-CD1 4.28Å; N82-L125 PolarHBondContact ND2-O 3.15Å; N82-D126 WeakPolarHBondContact CB-O 3.23Å; N82-D126 PolarHBondContact ND2-O 2.63Å; N82-G128 PolarHBondContact N-O 2.75Å
83L95Very high96.9Very high40 Ų4029.3 Ų29.321%0.20913%0.132CC..  trans-92.511.8178-57.6-175.6000113K81 K85 R161K81-L83 HydrophobicContact CD-CD2 4.35Å; K81-L83 HydrophobicContact CG-CD2 4.46Å; K81-L83 PolarHBondContact O-N 3.4Å; L83-K85 PolarHBondContact O-N 3.33Å; L83-R161 HydrophobicContact CD1-CG 4.35Å; L83-R161 HydrophobicContact CD2-CG 4.14Å
84K93.8Very high96.9Very high147 Ų14730 Ų3064%0.63914%0.135SC*.SBendtrans5631.5-174.1-58-176.8173.6-169.10113N82 D127N82-K84 VanDerWaalsContact C-N 3.32Å; N82-K84 PolarHBondContact OD1-N 2.9Å; K84-D127 WeakPolarHBondContact CE-OD1 3.48Å; K84-D127 VanDerWaalsContact CE-OD2 3.24Å; K84-D127 WeakPolarHBondContact CE-OD2 3.2Å; K84-D127 IonicContact NZ-OD1 3.92Å; K84-D127 PolarHBondContact NZ-OD1 2.95Å; K84-D127 IonicContact NZ-OD2 2.95Å; K84-D127 PolarHBondContact NZ-OD2 3.17Å
85K95.6Very high97Very high94 Ų9428.7 Ų28.741%0.40913%0.127SC..SBendtrans-126.2164179.8-73-177.3-173.3-170.80109.7E50 L83 F87 N107 N159E50-K85 IonicContact OE1-NZ 2.6Å; E50-K85 PolarHBondContact OE1-NZ 3.43Å; L83-K85 PolarHBondContact O-N 3.33Å; K85-F87 PolarHBondContact O-N 2.93Å; K85-N107 PolarHBondContact O-ND2 3.09Å; K85-N159 HydrophobicContact CB-CB 3.57Å; K85-N159 HydrophobicContact CD-CB 4.24Å
86Y96.7Very high97Very high156 Ų15631 Ų3161%0.61214%0.141SC*.  trans-63.2125.7178.1-64.1-30.6000111.8V54 N107 Y108 N159V54-Y86 VanDerWaalsContact CG2-CB 3.48Å; V54-Y86 WeakPolarHBondContact CG2-O 2.99Å; Y86-N107 WeakPolarHBondContact CA-OD1 3.43Å; Y86-Y108 HydrophobicContact CD1-CD1 4.2Å; Y86-Y108 HydrophobicContact CD1-CG 4.34Å; Y86-Y108 HydrophobicContact CG-CD1 4.08Å; Y86-Y108 HydrophobicContact CG-CG 4.48Å; Y86-N159 WeakPolarHBondContact O-CB 3.49Å; Y86-N159 PolarHBondContact O-ND2 2.96Å
87F97Very high96.9Very high3 Ų337.9 Ų37.91%0.01317%0.17CC..  trans-137.5144.2-176.6170.1-105.8000110.2I80 K85 F89 N107 M123 L125 I132 I156 C160I80-F87 HydrophobicContact CD1-CD1 3.95Å; I80-F87 HydrophobicContact CD1-CE1 3.36Å; I80-F87 HydrophobicContact CD1-CZ 3.73Å; K85-F87 PolarHBondContact O-N 2.93Å; F87-F89 HydrophobicContact CE1-CD1 4.02Å; F87-F89 HydrophobicContact CZ-CB 4.26Å; F87-F89 HydrophobicContact CZ-CD1 4.27Å; F87-N107 PolarHBondContact N-ND2 2.79Å; F87-N107 PolarHBondContact N-OD1 3.06Å; F87-N107 PolarHBondContact O-N 2.94Å; F87-N107 VanDerWaalsContact O-N 3.07Å; F87-N107 PolarHBondContact O-OD1 2.87Å; F87-N107 VanDerWaalsContact O-OD1 3.11Å; F87-M123 HydrophobicContact CD1-CE 3.48Å; F87-M123 VanDerWaalsContact CD1-CE 3.48Å; F87-M123 HydrophobicContact CE1-CE 3.53Å; F87-L125 HydrophobicContact CD1-CD1 4Å; F87-I132 HydrophobicContact CE1-CD1 4.47Å; F87-I156 HydrophobicContact CE2-CG2 3.65Å; F87-I156 HydrophobicContact CZ-CG2 3.96Å; F87-C160 HydrophobicContact CD2-CB 3.54Å; F87-C160 HydrophobicContact CE2-CB 3.56Å; F87-C160 WeakPolarHBondContact CE2-SG 3.44Å; F87-C160 HydrophobicContact CG-CB 4.31Å; F87-C160 HydrophobicContact CZ-CB 4.34Å
88T97.7Very high96.9Very high1 Ų144 Ų441%0.00620%0.203CC..EExtended strand (participates in β ladder)trans-150155.6174.1-175.10000111V54 R104 A105 S106 Y108 H157V54-T88 HydrophobicContact CG1-CG2 3.63Å; T88-R104 WeakPolarHBondContact OG1-CG 3.45Å; T88-A105 VanDerWaalsContact CA-O 3.23Å; T88-A105 WeakPolarHBondContact CA-O 3.32Å; T88-A105 WeakPolarHBondContact CB-O 3.29Å; T88-A105 PolarHBondContact OG1-O 3.03Å; T88-S106 PolarHBondContact OG1-OG 2.82Å; T88-Y108 HydrophobicContact CG2-CE1 4.41Å; T88-H157 HydrophobicContact CG2-CB 3.62Å; T88-H157 VanDerWaalsContact CG2-CG 3.48Å; T88-H157 VanDerWaalsContact O-CB 3.23Å; T88-H157 WeakPolarHBondContact O-CB 3.44Å; T88-H157 PolarHBondContact O-N 3.11Å
89F98Very high97Very high1 Ų145.9 Ų45.90%0.00421%0.214CC..EExtended strand (participates in β ladder)trans-138.7158.3167.771.9-88.5000110M78 F87 V91 R104 A105 M123 I132 F134 Q155 I156M78-F89 HydrophobicContact CE-CB 4.48Å; M78-F89 HydrophobicContact CE-CD1 3.6Å; M78-F89 HydrophobicContact CE-CD2 3.53Å; M78-F89 HydrophobicContact CE-CE1 3.48Å; M78-F89 VanDerWaalsContact CE-CE1 3.48Å; M78-F89 HydrophobicContact CE-CE2 3.45Å; M78-F89 VanDerWaalsContact CE-CE2 3.45Å; M78-F89 HydrophobicContact CE-CG 3.61Å; M78-F89 HydrophobicContact CE-CZ 3.42Å; M78-F89 VanDerWaalsContact CE-CZ 3.42Å; M78-F89 HydrophobicContact SD-CD2 4.38Å; M78-F89 HydrophobicContact SD-CG 4.33Å; F87-F89 HydrophobicContact CE1-CD1 4.02Å; F87-F89 HydrophobicContact CZ-CB 4.26Å; F87-F89 HydrophobicContact CZ-CD1 4.27Å; F89-V91 HydrophobicContact CD2-CG2 3.99Å; F89-V91 HydrophobicContact CE2-CG2 3.97Å; F89-R104 WeakPolarHBondContact O-CA 3.45Å; F89-A105 HydrophobicContact CD1-CB 4.12Å; F89-A105 HydrophobicContact CE1-CB 3.49Å; F89-A105 VanDerWaalsContact CE1-CB 3.49Å; F89-A105 HydrophobicContact CE2-CB 4.37Å; F89-A105 HydrophobicContact CZ-CB 3.63Å; F89-A105 PolarHBondContact N-O 2.9Å; F89-A105 VanDerWaalsContact N-O 3.09Å; F89-A105 PolarHBondContact O-N 2.94Å; F89-M123 HydrophobicContact CD1-CE 4.35Å; F89-M123 HydrophobicContact CD1-SD 4.45Å; F89-M123 HydrophobicContact CE1-CE 4.22Å; F89-M123 HydrophobicContact CE1-SD 3.74Å; F89-I132 HydrophobicContact CE1-CD1 4.32Å; F89-I132 HydrophobicContact CE1-CG2 4.42Å; F89-I132 HydrophobicContact CZ-CG2 4.4Å; F89-F134 HydrophobicContact CE2-CD2 4.3Å; F89-F134 HydrophobicContact CE2-CE2 4.47Å; F89-F134 HydrophobicContact CE2-CG 4.5Å; F89-F134 AromaticContact CZ-CD2 3.83Å; F89-F134 HydrophobicContact CZ-CD2 3.83Å; F89-F134 HydrophobicContact CZ-CE2 4.09Å; F89-F134 HydrophobicContact CZ-CG 4.38Å; F89-Q155 CarbonylContact C-O 3.52Å; F89-Q155 VanDerWaalsContact CA-O 3.32Å; F89-Q155 WeakPolarHBondContact CA-O 2.99Å; F89-I156 HydrophobicContact CB-CG1 4.35Å
90E98Very high97Very high10 Ų1053 Ų535%0.04724%0.241CC..EExtended strand (participates in β ladder)trans-130.9140.5-179.3-60.5-169.4-105.700111.6R102 F103 R104 V154 Q155 H157E90-R102 HydrophobicContact CB-CG 4.38Å; E90-R102 WeakPolarHBondContact OE2-CD 3.48Å; E90-R102 IonicContact OE2-CZ 3.3Å; E90-R102 IonicContact OE2-NE 3.44Å; E90-R102 PolarHBondContact OE2-NE 2.88Å; E90-F103 CarbonylContact C-O 3.53Å; E90-F103 VanDerWaalsContact CA-O 3.23Å; E90-F103 WeakPolarHBondContact CA-O 3.38Å; E90-R104 VanDerWaalsContact CD-CZ 3.48Å; E90-R104 HydrophobicContact CG-CB 3.9Å; E90-R104 HydrophobicContact CG-CG 3.77Å; E90-R104 IonicContact OE1-CZ 2.75Å; E90-R104 VanDerWaalsContact OE1-CZ 3.3Å; E90-R104 IonicContact OE1-NE 2.87Å; E90-R104 PolarHBondContact OE1-NE 2.94Å; E90-R104 IonicContact OE1-NH2 3.73Å; E90-R104 PolarHBondContact OE1-NH2 3.13Å; E90-R104 IonicContact OE2-CZ 3.15Å; E90-R104 IonicContact OE2-NE 2.63Å; E90-R104 PolarHBondContact OE2-NE 2.97Å; E90-R104 IonicContact OE2-NH2 2.63Å; E90-R104 PolarHBondContact OE2-NH2 3.11Å; E90-R104 VanDerWaalsContact OE2-NH2 3.15Å; E90-V154 CarbonylContact O-C 3.55Å; E90-V154 WeakPolarHBondContact O-CA 3.33Å; E90-Q155 HydrophobicContact CB-CB 4.35Å; E90-Q155 PolarHBondContact N-O 3.45Å; E90-Q155 PolarHBondContact O-N 3.31Å; E90-H157 IonicContact OE1-NE2 3.46Å; E90-H157 PolarHBondContact OE1-NE2 2.84Å
91V98.3Very high97.1Very high0 Ų054.5 Ų54.50%025%0.247CC..EExtended strand (participates in β ladder)trans-128.6126.5174.1-170.30000108.7L76 F89 V93 R102 F103 L136 T151 R153 V154L76-V91 HydrophobicContact CD2-CG2 3.42Å; L76-V91 VanDerWaalsContact CD2-CG2 3.42Å; F89-V91 HydrophobicContact CD2-CG2 3.99Å; F89-V91 HydrophobicContact CE2-CG2 3.97Å; V91-V93 HydrophobicContact CG1-CG1 4.14Å; V91-R102 CarbonylContact O-C 3.44Å; V91-R102 WeakPolarHBondContact O-CA 3.26Å; V91-F103 PolarHBondContact N-O 2.78Å; V91-F103 PolarHBondContact O-N 3.4Å; V91-L136 HydrophobicContact CB-CD2 4.16Å; V91-L136 HydrophobicContact CG1-CD2 3.73Å; V91-T151 HydrophobicContact CG1-CG2 3.56Å; V91-R153 WeakPolarHBondContact CA-O 3.17Å; V91-V154 HydrophobicContact CG1-CG2 4.28Å
92Q98.3Very high97.2Very high50 Ų5058.5 Ų58.523%0.23426%0.261CS..EExtended strand (participates in β ladder)trans-97.5126.7171.8-169.5178.333.700109.4R101 L152 R153Q92-R101 CarbonylContact C-O 3.45Å; Q92-R101 WeakPolarHBondContact CA-O 3.23Å; Q92-L152 HydrophobicContact CB-CB 4.35Å; Q92-L152 HydrophobicContact CG-CB 4.27Å; Q92-L152 HydrophobicContact CG-CD1 4.22Å; Q92-L152 PolarHBondContact O-N 2.83Å; Q92-R153 HydrophobicContact CB-CB 4.01Å; Q92-R153 PolarHBondContact N-O 3.01Å; Q92-R153 PolarHBondContact O-N 2.87Å
93V98.3Very high97.3Very high0 Ų057.4 Ų57.40%026%0.255CS..EExtended strand (participates in β ladder)trans-119.3156.5179.3-56.50000111V91 R100 R101 F103 L136 Y148 E150V91-V93 HydrophobicContact CG1-CG1 4.14Å; V93-R100 WeakPolarHBondContact O-CA 3.45Å; V93-R101 HydrophobicContact CG2-CB 3.91Å; V93-R101 PolarHBondContact N-O 3.22Å; V93-R101 PolarHBondContact O-N 3.18Å; V93-F103 HydrophobicContact CG1-CD2 4.36Å; V93-F103 HydrophobicContact CG2-CD2 4.12Å; V93-F103 HydrophobicContact CG2-CE2 3.74Å; V93-L136 HydrophobicContact CG1-CD2 3.89Å; V93-Y148 HydrophobicContact CB-CD2 4.01Å; V93-Y148 HydrophobicContact CB-CE2 4.11Å; V93-Y148 HydrophobicContact CG1-CD2 4Å; V93-Y148 HydrophobicContact CG1-CE2 3.82Å; V93-E150 CarbonylContact C-O 3.49Å; V93-E150 WeakPolarHBondContact CA-O 3.16Å
94L98.2Very high97.4Very high23 Ų2358.7 Ų58.712%0.1226%0.257CS..EExtended strand (participates in β ladder)trans-102.8131.2166.8-171.765.6000108.9R100 I149 E150 L152L94-R100 HydrophobicContact CD1-CG 4.28Å; L94-I149 HydrophobicContact CD2-CG2 4.39Å; L94-I149 WeakPolarHBondContact O-CB 3.31Å; L94-I149 PolarHBondContact O-N 2.77Å; L94-E150 HydrophobicContact CB-CG 3.98Å; L94-E150 HydrophobicContact CD2-CG 4.17Å; L94-E150 PolarHBondContact N-O 2.82Å; L94-L152 HydrophobicContact CB-CD1 4.2Å; L94-L152 HydrophobicContact CB-CD2 4.18Å; L94-L152 HydrophobicContact CB-CG 4.23Å
95D97.5Very high97.6Very high2 Ų251.9 Ų51.91%0.01123%0.228CC..EExtended strand (participates in β ladder)trans-96.3169.4172.770.720.5000112.7K97 N98 V99 R101 T140 T146 N147 I149D95-K97 PolarHBondContact O-N 3.01Å; D95-K97 WeakPolarHBondContact OD1-CA 3.09Å; D95-K97 WeakPolarHBondContact OD1-CB 3.35Å; D95-K97 PolarHBondContact OD1-N 3.03Å; D95-K97 VanDerWaalsContact OD1-N 3.09Å; D95-N98 WeakPolarHBondContact O-CA 3.38Å; D95-N98 PolarHBondContact O-N 2.93Å; D95-N98 PolarHBondContact OD1-N 2.9Å; D95-V99 PolarHBondContact N-O 2.97Å; D95-V99 VanDerWaalsContact N-O 3.09Å; D95-V99 WeakPolarHBondContact OD1-CA 3.48Å; D95-V99 WeakPolarHBondContact OD1-CB 3.44Å; D95-V99 PolarHBondContact OD1-N 2.79Å; D95-R101 IonicContact OD2-CZ 3.81Å; D95-R101 IonicContact OD2-NE 3.75Å; D95-R101 PolarHBondContact OD2-NE 2.78Å; D95-R101 IonicContact OD2-NH2 3.65Å; D95-R101 PolarHBondContact OD2-NH2 3.12Å; D95-R101 VanDerWaalsContact OD2-NH2 3.16Å; D95-T140 HydrophobicContact CB-CG2 4.13Å; D95-T146 WeakPolarHBondContact CB-OG1 2.83Å; D95-T146 PolarHBondContact OD2-OG1 2.97Å; D95-N147 CarbonylContact C-O 3.52Å; D95-N147 VanDerWaalsContact CA-O 3.24Å; D95-N147 WeakPolarHBondContact CA-O 3.33Å; D95-I149 VanDerWaalsContact C-CG1 3.5Å
96D97.5Very high97.7Very high75 Ų7547.4 Ų47.440%0.40121%0.209SC..THydrogen-bonded Turntrans-65.3-11.5178.661.1-8.2000114.5N98 T146 N147 I149D96-N98 VanDerWaalsContact C-N 3.29Å; D96-T146 WeakPolarHBondContact OD1-CB 2.75Å; D96-N147 HydrophobicContact CB-CB 4.17Å; D96-N147 PolarHBondContact N-O 3.06Å; D96-N147 PolarHBondContact OD1-N 2.77Å; D96-N147 WeakPolarHBondContact OD2-CB 3.44Å; D96-N147 PolarHBondContact OD2-N 3.02Å; D96-N147 PolarHBondContact OD2-ND2 2.82Å; D96-I149 HydrophobicContact CB-CD1 4.02Å; D96-I149 HydrophobicContact CB-CG1 4.25Å
97K96.8Very high97.6Very high144 Ų14442.1 Ų42.163%0.62619%0.191SC*.THydrogen-bonded Turntrans-92.511.8170-63.1-174.8180174.40112.6D95 V99 T146D95-K97 PolarHBondContact O-N 3.01Å; D95-K97 WeakPolarHBondContact OD1-CA 3.09Å; D95-K97 WeakPolarHBondContact OD1-CB 3.35Å; D95-K97 PolarHBondContact OD1-N 3.03Å; D95-K97 VanDerWaalsContact OD1-N 3.09Å; K97-V99 HydrophobicContact CB-CG2 4.09Å; K97-V99 PolarHBondContact O-N 2.95Å; K97-T146 HydrophobicContact CD-CG2 3.72Å; K97-T146 HydrophobicContact CG-CG2 4Å
98N97Very high97.5Very high129 Ų12946.8 Ų46.869%0.6921%0.21SC*.SBendtrans59.127.5-177.3-162.733.1000113.1D95 D96D95-N98 WeakPolarHBondContact O-CA 3.38Å; D95-N98 PolarHBondContact O-N 2.93Å; D95-N98 PolarHBondContact OD1-N 2.9Å; D96-N98 VanDerWaalsContact C-N 3.29Å
99V97.4Very high97.2Very high40 Ų4048.7 Ų48.724%0.24222%0.218CC..  trans-99.5134.1177.4-169.90000110.1D95 K97 F117D95-V99 PolarHBondContact N-O 2.97Å; D95-V99 VanDerWaalsContact N-O 3.09Å; D95-V99 WeakPolarHBondContact OD1-CA 3.48Å; D95-V99 WeakPolarHBondContact OD1-CB 3.44Å; D95-V99 PolarHBondContact OD1-N 2.79Å; K97-V99 HydrophobicContact CB-CG2 4.09Å; K97-V99 PolarHBondContact O-N 2.95Å; V99-F117 HydrophobicContact CG1-CD1 4.24Å; V99-F117 HydrophobicContact CG1-CE1 4.08Å
100R97.8Very high97.1Very high153 Ų15353.7 Ų53.758%0.57725%0.253SS*.EExtended strand (participates in β ladder)trans-84.1118.2175.9-57.6-176.8-175174.71.4109.7V93 L94 L152V93-R100 WeakPolarHBondContact O-CA 3.45Å; L94-R100 HydrophobicContact CD1-CG 4.28Å; R100-L152 HydrophobicContact CB-CD1 4.42Å; R100-L152 HydrophobicContact CG-CD1 3.79Å
101R97.8Very high96.9Very high32 Ų3256.5 Ų56.512%0.12127%0.271CS..EExtended strand (participates in β ladder)trans-112.4150.8177-49.5-65-179.3177.30.5110Q92 V93 D95 P116 Y144Q92-R101 CarbonylContact C-O 3.45Å; Q92-R101 WeakPolarHBondContact CA-O 3.23Å; V93-R101 HydrophobicContact CG2-CB 3.91Å; V93-R101 PolarHBondContact N-O 3.22Å; V93-R101 PolarHBondContact O-N 3.18Å; D95-R101 IonicContact OD2-CZ 3.81Å; D95-R101 IonicContact OD2-NE 3.75Å; D95-R101 PolarHBondContact OD2-NE 2.78Å; D95-R101 IonicContact OD2-NH2 3.65Å; D95-R101 PolarHBondContact OD2-NH2 3.12Å; D95-R101 VanDerWaalsContact OD2-NH2 3.16Å; R101-P116 WeakPolarHBondContact CD-O 3.48Å; R101-P116 PolarHBondContact NH1-O 3.39Å; R101-Y144 HydrophobicContact CB-CD2 4.23Å; R101-Y144 HydrophobicContact CB-CE2 3.6Å; R101-Y144 HydrophobicContact CG-CD2 3.81Å; R101-Y144 HydrophobicContact CG-CE2 3.66Å; R101-Y144 HydrophobicContact CG-CG 4.35Å
102R98.3Very high96.8Very high105 Ų10560.7 Ų60.740%0.39630%0.297SS..EExtended strand (participates in β ladder)trans-118.5130.4175.1-167.7162.970.1-133.5-3.7110.6E90 V91 F117 I118 C119E90-R102 HydrophobicContact CB-CG 4.38Å; E90-R102 WeakPolarHBondContact OE2-CD 3.48Å; E90-R102 IonicContact OE2-CZ 3.3Å; E90-R102 IonicContact OE2-NE 3.44Å; E90-R102 PolarHBondContact OE2-NE 2.88Å; V91-R102 CarbonylContact O-C 3.44Å; V91-R102 WeakPolarHBondContact O-CA 3.26Å; R102-F117 PolarHBondContact N-O 2.94Å; R102-I118 HydrophobicContact CB-CB 4.49Å; R102-I118 HydrophobicContact CB-CG1 4.3Å; R102-I118 CarbonylContact O-C 3.57Å; R102-I118 VanDerWaalsContact O-CA 3.25Å; R102-I118 WeakPolarHBondContact O-CA 3.38Å; R102-C119 PolarHBondContact O-N 2.85Å
103F98.4Very high96.7Very high0 Ų065.8 Ų65.80%031%0.314CS..EExtended strand (participates in β ladder)trans-104128.3168.2-68.9-77.1000108.6E90 V91 V93 C119 M121 F134 F139 A143 Y144E90-F103 CarbonylContact C-O 3.53Å; E90-F103 VanDerWaalsContact CA-O 3.23Å; E90-F103 WeakPolarHBondContact CA-O 3.38Å; V91-F103 PolarHBondContact N-O 2.78Å; V91-F103 PolarHBondContact O-N 3.4Å; V93-F103 HydrophobicContact CG1-CD2 4.36Å; V93-F103 HydrophobicContact CG2-CD2 4.12Å; V93-F103 HydrophobicContact CG2-CE2 3.74Å; F103-C119 CarbonylContact C-O 3.58Å; F103-C119 WeakPolarHBondContact CA-O 3.38Å; F103-C119 HydrophobicContact CD1-CB 3.58Å; F103-C119 HydrophobicContact CE1-CB 3.61Å; F103-M121 HydrophobicContact CB-CE 4.24Å; F103-M121 HydrophobicContact CD1-CE 3.51Å; F103-M121 HydrophobicContact CE1-CE 4.33Å; F103-M121 HydrophobicContact CG-CE 4.29Å; F103-F134 HydrophobicContact CB-CE1 4.04Å; F103-F134 HydrophobicContact CB-CZ 3.99Å; F103-F134 HydrophobicContact CG-CE1 4.3Å; F103-F134 HydrophobicContact CG-CZ 4.42Å; F103-F139 HydrophobicContact CD1-CB 4.34Å; F103-F139 HydrophobicContact CE1-CB 3.89Å; F103-F139 HydrophobicContact CE2-CB 4.49Å; F103-F139 HydrophobicContact CZ-CB 3.98Å; F103-A143 HydrophobicContact CE1-CB 3.92Å; F103-A143 HydrophobicContact CZ-CB 4.22Å; F103-Y144 HydrophobicContact CE1-CE2 4.05Å; F103-Y144 HydrophobicContact CE2-CE2 4.27Å; F103-Y144 HydrophobicContact CZ-CD2 4.12Å; F103-Y144 AromaticContact CZ-CE2 3.59Å; F103-Y144 HydrophobicContact CZ-CE2 3.59Å
104R98Very high96.7Very high68 Ų6869.7 Ų69.726%0.25734%0.338SS..EExtended strand (participates in β ladder)trans-122.4120.8173.9179.8-178.9-72.8-158-5.9108.9T88 F89 E90 C119 T120 M121T88-R104 WeakPolarHBondContact OG1-CG 3.45Å; F89-R104 WeakPolarHBondContact O-CA 3.45Å; E90-R104 VanDerWaalsContact CD-CZ 3.48Å; E90-R104 HydrophobicContact CG-CB 3.9Å; E90-R104 HydrophobicContact CG-CG 3.77Å; E90-R104 IonicContact OE1-CZ 2.75Å; E90-R104 VanDerWaalsContact OE1-CZ 3.3Å; E90-R104 IonicContact OE1-NE 2.87Å; E90-R104 PolarHBondContact OE1-NE 2.94Å; E90-R104 IonicContact OE1-NH2 3.73Å; E90-R104 PolarHBondContact OE1-NH2 3.13Å; E90-R104 IonicContact OE2-CZ 3.15Å; E90-R104 IonicContact OE2-NE 2.63Å; E90-R104 PolarHBondContact OE2-NE 2.97Å; E90-R104 IonicContact OE2-NH2 2.63Å; E90-R104 PolarHBondContact OE2-NH2 3.11Å; E90-R104 VanDerWaalsContact OE2-NH2 3.15Å; R104-C119 PolarHBondContact N-O 2.84Å; R104-T120 HydrophobicContact CB-CG2 4.33Å; R104-T120 CarbonylContact O-C 3.55Å; R104-T120 VanDerWaalsContact O-CA 3.31Å; R104-T120 WeakPolarHBondContact O-CA 3.29Å; R104-M121 PolarHBondContact O-N 2.68Å
105A97.6Very high96.6Very high3 Ų374.8 Ų74.83%0.02536%0.359CS..EExtended strand (participates in β ladder)trans-108132.8172.900000109.3T88 F89 M121 M123 F134T88-A105 VanDerWaalsContact CA-O 3.23Å; T88-A105 WeakPolarHBondContact CA-O 3.32Å; T88-A105 WeakPolarHBondContact CB-O 3.29Å; T88-A105 PolarHBondContact OG1-O 3.03Å; F89-A105 HydrophobicContact CD1-CB 4.12Å; F89-A105 HydrophobicContact CE1-CB 3.49Å; F89-A105 VanDerWaalsContact CE1-CB 3.49Å; F89-A105 HydrophobicContact CE2-CB 4.37Å; F89-A105 HydrophobicContact CZ-CB 3.63Å; F89-A105 PolarHBondContact N-O 2.9Å; F89-A105 VanDerWaalsContact N-O 3.09Å; F89-A105 PolarHBondContact O-N 2.94Å; A105-M121 WeakPolarHBondContact CA-O 3.31Å; A105-M121 HydrophobicContact CB-CG 3.83Å; A105-M121 HydrophobicContact CB-SD 4.49Å; A105-M123 HydrophobicContact CB-CB 4.31Å; A105-F134 HydrophobicContact CB-CE2 4.44Å
106S96.9Very high96.5Very high1 Ų178.9 Ų78.91%0.00739%0.386CS..EExtended strand (participates in β ladder)trans-138.6141.9-174.6-40.90000111T88 Y108 M121 P122 M123T88-S106 PolarHBondContact OG1-OG 2.82Å; S106-Y108 VanDerWaalsContact C-N 3.33Å; S106-M121 PolarHBondContact N-O 3.4Å; S106-P122 CarbonylContact O-C 3.56Å; S106-M123 PolarHBondContact O-N 3.07Å
107N95.7Very high96.5Very high45 Ų4582 Ų8224%0.24140%0.396CS..THydrogen-bonded Turntrans-83.8-5.7177.372.3-11.3000114.8K85 Y86 F87 M123K85-N107 PolarHBondContact O-ND2 3.09Å; Y86-N107 WeakPolarHBondContact CA-OD1 3.43Å; F87-N107 PolarHBondContact N-ND2 2.79Å; F87-N107 PolarHBondContact N-OD1 3.06Å; F87-N107 PolarHBondContact O-N 2.94Å; F87-N107 VanDerWaalsContact O-N 3.07Å; F87-N107 PolarHBondContact O-OD1 2.87Å; F87-N107 VanDerWaalsContact O-OD1 3.11Å; N107-M123 WeakPolarHBondContact CA-O 3.25Å
108Y94Very high96.5Very high101 Ų10176.6 Ų76.640%0.39637%0.374SS..THydrogen-bonded Turntrans-104.63.9175.253.7-97.8000112.9V54 Y86 T88 S106V54-Y108 HydrophobicContact CG1-CE1 4.46Å; Y86-Y108 HydrophobicContact CD1-CD1 4.2Å; Y86-Y108 HydrophobicContact CD1-CG 4.34Å; Y86-Y108 HydrophobicContact CG-CD1 4.08Å; Y86-Y108 HydrophobicContact CG-CG 4.48Å; T88-Y108 HydrophobicContact CG2-CE1 4.41Å; S106-Y108 VanDerWaalsContact C-N 3.33Å
109Q92.5Very high96.5Very high40 Ų4070.7 Ų70.719%0.18734%0.342CS..  trans-97140.9176.3179.6157.54.800109.7T111 T120 P122Q109-T111 WeakPolarHBondContact CG-O 3.4Å; Q109-T111 PolarHBondContact NE2-O 2.8Å; Q109-T120 VanDerWaalsContact NE2-CB 3.29Å; Q109-T120 PolarHBondContact NE2-O 2.9Å; Q109-T120 PolarHBondContact NE2-OG1 2.78Å; Q109-P122 WeakPolarHBondContact O-CB 3.37Å
110S94Very high96.5Very high106 Ų10670 Ų7074%0.74134%0.338SS*.  trans-104.9-29.7-179.654.30000113.8
111T95.4Very high96.5Very high70 Ų7063.4 Ų63.443%0.42931%0.314SS..SBendtrans-124.5142.5-17457.50000112.1Q109Q109-T111 WeakPolarHBondContact CG-O 3.4Å; Q109-T111 PolarHBondContact NE2-O 2.8Å
112T95.9Very high96.4Very high87 Ų8764.4 Ų64.453%0.53433%0.325SS..  trans-74.1133.6169.9-58.40000109.6T120 M121 P122T112-T120 CarbonylContact C-O 3.53Å; T112-T120 VanDerWaalsContact CA-O 3.29Å; T112-T120 WeakPolarHBondContact CA-O 3.31Å; T112-M121 HydrophobicContact CG2-CB 4.35Å; T112-P122 VanDerWaalsContact OG1-CD 3.31Å; T112-P122 WeakPolarHBondContact OG1-CD 3.11Å
113R96.6Very high96.3Very high158 Ų15860.6 Ų60.660%0.59631%0.312SS*.EExtended strand (participates in β ladder)trans-131.3124.8174.6-58.1-177.1-177.1-125.86.8109.5C119 T120R113-C119 WeakPolarHBondContact O-CA 3.34Å; R113-T120 PolarHBondContact N-O 2.95Å; R113-T120 PolarHBondContact O-N 2.86Å; R113-T120 PolarHBondContact O-OG1 2.9Å
114V96.9Very high96Very high81 Ų8172 Ų7249%0.49136%0.355SS..EExtended strand (participates in β ladder)trans-104.2117.5177.5-175.50000108.4A143 Y144V114-A143 HydrophobicContact CG1-CB 4.25Å; V114-A143 WeakPolarHBondContact CG1-O 3.49Å; V114-A143 HydrophobicContact CG2-CB 4.43Å; V114-Y144 HydrophobicContact CG1-CD1 4.46Å; V114-Y144 HydrophobicContact CG1-CE1 4.03Å
115K96.6Very high95.7Very high130 Ų13070 Ų7057%0.56535%0.349SS*.EExtended strand (participates in β ladder)trans-116.1162.6170.6-64.3-173.7176.4-174.10108.5F117 I118 Y144K115-F117 VanDerWaalsContact C-N 3.3Å; K115-F117 PolarHBondContact O-N 2.83Å; K115-F117 VanDerWaalsContact O-N 3.1Å; K115-I118 WeakPolarHBondContact CA-O 3.23Å; K115-I118 HydrophobicContact CB-CG2 3.92Å; K115-I118 WeakPolarHBondContact CB-O 3.44Å; K115-I118 HydrophobicContact CD-CG2 4.15Å; K115-I118 HydrophobicContact CG-CG2 4.45Å; K115-I118 PolarHBondContact N-O 2.83Å; K115-I118 PolarHBondContact O-N 2.88Å; K115-I118 VanDerWaalsContact O-O 3.11Å; K115-Y144 WeakPolarHBondContact O-CE1 3.49Å
116P95.2Very high95.5Very high89 Ų8975.9 Ų75.958%0.57838%0.38SS*.THydrogen-bonded Turntrans-48.4-46.5-176.5-31.636.4000114.2R101 Y144R101-P116 WeakPolarHBondContact CD-O 3.48Å; R101-P116 PolarHBondContact NH1-O 3.39Å; P116-Y144 WeakPolarHBondContact O-CE1 3.45Å
117F96.8Very high95.3Very high139 Ų13981.2 Ų81.261%0.6141%0.408SS*.THydrogen-bonded Turntrans-106.8-5.3-176.1-54.1-66.8000114.6V99 R102 K115V99-F117 HydrophobicContact CG1-CD1 4.24Å; V99-F117 HydrophobicContact CG1-CE1 4.08Å; R102-F117 PolarHBondContact N-O 2.94Å; K115-F117 VanDerWaalsContact C-N 3.3Å; K115-F117 PolarHBondContact O-N 2.83Å; K115-F117 VanDerWaalsContact O-N 3.1Å
118I97.6Very high95.2Very high32 Ų3280.1 Ų80.116%0.16441%0.408CS..EExtended strand (participates in β ladder)trans-144.8130.3-176.4-171.9174.7000111.6R102 K115 T120 Y144R102-I118 HydrophobicContact CB-CB 4.49Å; R102-I118 HydrophobicContact CB-CG1 4.3Å; R102-I118 CarbonylContact O-C 3.57Å; R102-I118 VanDerWaalsContact O-CA 3.25Å; R102-I118 WeakPolarHBondContact O-CA 3.38Å; K115-I118 WeakPolarHBondContact CA-O 3.23Å; K115-I118 HydrophobicContact CB-CG2 3.92Å; K115-I118 WeakPolarHBondContact CB-O 3.44Å; K115-I118 HydrophobicContact CD-CG2 4.15Å; K115-I118 HydrophobicContact CG-CG2 4.45Å; K115-I118 PolarHBondContact N-O 2.83Å; K115-I118 PolarHBondContact O-N 2.88Å; K115-I118 VanDerWaalsContact O-O 3.11Å; I118-T120 HydrophobicContact CD1-CG2 3.74Å; I118-T120 HydrophobicContact CG1-CG2 3.88Å; I118-Y144 VanDerWaalsContact C-OH 3.28Å
119C97.8Very high95.3Very high4 Ų476.7 Ų76.73%0.02739%0.394CS..EExtended strand (participates in β ladder)trans-110.7121.4166.5176.90000108.1R102 F103 R104 R113 A143 Y144R102-C119 PolarHBondContact O-N 2.85Å; F103-C119 CarbonylContact C-O 3.58Å; F103-C119 WeakPolarHBondContact CA-O 3.38Å; F103-C119 HydrophobicContact CD1-CB 3.58Å; F103-C119 HydrophobicContact CE1-CB 3.61Å; R104-C119 PolarHBondContact N-O 2.84Å; R113-C119 WeakPolarHBondContact O-CA 3.34Å; C119-A143 HydrophobicContact CB-CB 4.36Å; C119-Y144 PolarHBondContact N-OH 2.92Å; C119-Y144 VanDerWaalsContact N-OH 3.16Å
120T97.8Very high95.3Very high25 Ų2575.6 Ų75.615%0.15339%0.389CS..EExtended strand (participates in β ladder)trans-108.6130.7177.860.30000108.6R104 Q109 T112 R113 I118R104-T120 HydrophobicContact CB-CG2 4.33Å; R104-T120 CarbonylContact O-C 3.55Å; R104-T120 VanDerWaalsContact O-CA 3.31Å; R104-T120 WeakPolarHBondContact O-CA 3.29Å; Q109-T120 VanDerWaalsContact NE2-CB 3.29Å; Q109-T120 PolarHBondContact NE2-O 2.9Å; Q109-T120 PolarHBondContact NE2-OG1 2.78Å; T112-T120 CarbonylContact C-O 3.53Å; T112-T120 VanDerWaalsContact CA-O 3.29Å; T112-T120 WeakPolarHBondContact CA-O 3.31Å; R113-T120 PolarHBondContact N-O 2.95Å; R113-T120 PolarHBondContact O-N 2.86Å; R113-T120 PolarHBondContact O-OG1 2.9Å; I118-T120 HydrophobicContact CD1-CG2 3.74Å; I118-T120 HydrophobicContact CG1-CG2 3.88Å
121M96.9Very high95.3Very high15 Ų1573.1 Ų73.17%0.07437%0.366CS..EExtended strand (participates in β ladder)trans-134.4147.7-17564.5-170.778.400112.2F103 R104 A105 S106 T112 F134 F139F103-M121 HydrophobicContact CB-CE 4.24Å; F103-M121 HydrophobicContact CD1-CE 3.51Å; F103-M121 HydrophobicContact CE1-CE 4.33Å; F103-M121 HydrophobicContact CG-CE 4.29Å; R104-M121 PolarHBondContact O-N 2.68Å; A105-M121 WeakPolarHBondContact CA-O 3.31Å; A105-M121 HydrophobicContact CB-CG 3.83Å; A105-M121 HydrophobicContact CB-SD 4.49Å; S106-M121 PolarHBondContact N-O 3.4Å; T112-M121 HydrophobicContact CG2-CB 4.35Å; M121-F134 HydrophobicContact CE-CE2 4.12Å; M121-F134 HydrophobicContact CE-CZ 3.59Å; M121-F134 HydrophobicContact SD-CE2 3.48Å; M121-F134 WeakPolarHBondContact SD-CE2 3.38Å; M121-F134 HydrophobicContact SD-CZ 3.61Å; M121-F139 HydrophobicContact CE-CD1 4.19Å; M121-F139 HydrophobicContact CE-CE1 4.34Å; M121-F139 HydrophobicContact CE-CG 4.47Å; M121-F139 HydrophobicContact SD-CD1 4.4Å; M121-F139 HydrophobicContact SD-CE1 3.96Å; M121-F139 HydrophobicContact SD-CZ 4.04Å
122P96.5Very high95.3Very high53 Ų5370.7 Ų70.734%0.34435%0.35SS..EExtended strand (participates in β ladder)trans-68.1148.7171.732.7-36.6000110.1S106 Q109 T112S106-P122 CarbonylContact O-C 3.56Å; Q109-P122 WeakPolarHBondContact O-CB 3.37Å; T112-P122 VanDerWaalsContact OG1-CD 3.31Å; T112-P122 WeakPolarHBondContact OG1-CD 3.11Å
123M94.5Very high95.2Very high25 Ų2570.7 Ų70.712%0.12334%0.344CS..  trans-130.8134.8169.2-179.8174.765.300109.3F87 F89 A105 S106 N107 L125 I132F87-M123 HydrophobicContact CD1-CE 3.48Å; F87-M123 VanDerWaalsContact CD1-CE 3.48Å; F87-M123 HydrophobicContact CE1-CE 3.53Å; F89-M123 HydrophobicContact CD1-CE 4.35Å; F89-M123 HydrophobicContact CD1-SD 4.45Å; F89-M123 HydrophobicContact CE1-CE 4.22Å; F89-M123 HydrophobicContact CE1-SD 3.74Å; A105-M123 HydrophobicContact CB-CB 4.31Å; S106-M123 PolarHBondContact O-N 3.07Å; N107-M123 WeakPolarHBondContact CA-O 3.25Å; M123-L125 HydrophobicContact CE-CD1 3.86Å; M123-L125 HydrophobicContact CE-CD2 3.9Å; M123-L125 HydrophobicContact CE-CG 3.92Å; M123-L125 HydrophobicContact CG-CD2 4.17Å; M123-L125 HydrophobicContact CG-CG 4.36Å; M123-L125 HydrophobicContact SD-CD2 3.9Å; M123-L125 HydrophobicContact SD-CG 4.42Å; M123-I132 HydrophobicContact CE-CD1 4.08Å; M123-I132 HydrophobicContact SD-CD1 3.5Å; M123-I132 VanDerWaalsContact SD-CD1 3.5Å; M123-I132 HydrophobicContact SD-CG1 4.03Å; M123-I132 HydrophobicContact SD-CG2 4.34Å
124R92.4Very high95.2Very high241 Ų24163.5 Ų63.591%0.90932%0.317SS*.  trans-102.1137.9168.7-65.1-176.4-179.7177.3-0.4108.1
125L92.8Very high95.2Very high25 Ų2561.6 Ų61.613%0.13131%0.305CS..  trans-123.9134.3174.7-64.5175.3000107.3I80 N82 F87 M123 N130 I132I80-L125 HydrophobicContact CD1-CD1 4.05Å; I80-L125 HydrophobicContact CD1-CD2 4.2Å; N82-L125 HydrophobicContact CB-CB 3.98Å; N82-L125 HydrophobicContact CB-CD1 4.28Å; N82-L125 PolarHBondContact ND2-O 3.15Å; F87-L125 HydrophobicContact CD1-CD1 4Å; M123-L125 HydrophobicContact CE-CD1 3.86Å; M123-L125 HydrophobicContact CE-CD2 3.9Å; M123-L125 HydrophobicContact CE-CG 3.92Å; M123-L125 HydrophobicContact CG-CD2 4.17Å; M123-L125 HydrophobicContact CG-CG 4.36Å; M123-L125 HydrophobicContact SD-CD2 3.9Å; M123-L125 HydrophobicContact SD-CG 4.42Å; L125-N130 HydrophobicContact CD2-CB 4.23Å; L125-I132 HydrophobicContact CD2-CD1 3.89Å; L125-I132 HydrophobicContact CD2-CG1 3.93Å
126D93.4Very high95.2Very high126 Ų12655.4 Ų55.467%0.67428%0.278SS*.  trans-73.1169.2172.2-60.8-42.2000110.2N82 N130N82-D126 WeakPolarHBondContact CB-O 3.23Å; N82-D126 PolarHBondContact ND2-O 2.63Å; D126-N130 WeakPolarHBondContact CB-OD1 3.37Å; D126-N130 PolarHBondContact N-OD1 2.83Å; D126-N130 PolarHBondContact O-ND2 3.36Å
127D92.2Very high95.3Very high114 Ų11453 Ų5361%0.6126%0.263SS*.SBendtrans-68.6135.1175.7-82.40.1000110.8K84K84-D127 WeakPolarHBondContact CE-OD1 3.48Å; K84-D127 VanDerWaalsContact CE-OD2 3.24Å; K84-D127 WeakPolarHBondContact CE-OD2 3.2Å; K84-D127 IonicContact NZ-OD1 3.92Å; K84-D127 PolarHBondContact NZ-OD1 2.95Å; K84-D127 IonicContact NZ-OD2 2.95Å; K84-D127 PolarHBondContact NZ-OD2 3.17Å
128G93.8Very high95.3Very high22 Ų2247.7 Ų47.723%0.22724%0.241CC..EExtended strand (participates in β ladder)trans82.2-138.1178.900000113.6K81 N82 N130K81-G128 CarbonylContact C-O 3.59Å; K81-G128 WeakPolarHBondContact CA-O 3.24Å; N82-G128 PolarHBondContact N-O 2.75Å; G128-N130 PolarHBondContact O-ND2 3.35Å
129W95.2Very high95.3Very high29 Ų2948.4 Ų48.411%0.1124%0.243CC..EExtended strand (participates in β ladder)trans-83.9132.4-174.3-76.497.8000112.2D39 I42 V46 I79 I80 K81 R161 R163 L183D39-W129 HydrophobicContact CB-CZ2 4.09Å; D39-W129 PolarHBondContact OD1-NE1 3.22Å; D39-W129 VanDerWaalsContact OD1-NE1 3.12Å; I42-W129 HydrophobicContact CD1-CH2 4.12Å; I42-W129 HydrophobicContact CD1-CZ2 3.66Å; I42-W129 HydrophobicContact CG1-CZ2 4.03Å; I42-W129 HydrophobicContact CG2-CD2 4.39Å; I42-W129 HydrophobicContact CG2-CG 4.28Å; V46-W129 HydrophobicContact CB-CH2 4.12Å; V46-W129 HydrophobicContact CG1-CH2 3.48Å; V46-W129 VanDerWaalsContact CG1-CH2 3.48Å; V46-W129 HydrophobicContact CG1-CZ2 3.65Å; I79-W129 HydrophobicContact CG2-CE3 3.9Å; I79-W129 HydrophobicContact CG2-CZ3 4.12Å; I80-W129 VanDerWaalsContact C-CE3 3.47Å; K81-W129 HydrophobicContact CB-CD2 3.92Å; K81-W129 HydrophobicContact CB-CE3 4.01Å; K81-W129 HydrophobicContact CB-CH2 4.05Å; K81-W129 HydrophobicContact CB-CZ2 3.96Å; K81-W129 HydrophobicContact CB-CZ3 4.08Å; K81-W129 HydrophobicContact CD-CZ2 4.15Å; K81-W129 HydrophobicContact CG-CD2 4.17Å; K81-W129 HydrophobicContact CG-CG 4.3Å; K81-W129 HydrophobicContact CG-CZ2 4.43Å; W129-R161 HydrophobicContact CH2-CB 4.21Å; W129-R163 HydrophobicContact CH2-CB 3.93Å; W129-R163 HydrophobicContact CZ3-CB 3.65Å; W129-L183 HydrophobicContact CB-CD2 3.46Å; W129-L183 VanDerWaalsContact CB-CD2 3.46Å; W129-L183 HydrophobicContact CD2-CD1 4.43Å; W129-L183 HydrophobicContact CE3-CD1 4.5Å; W129-L183 HydrophobicContact CG-CD2 4.1Å
130N93.8Very high95.3Very high16 Ų1648.2 Ų48.29%0.08624%0.242CC..EExtended strand (participates in β ladder)trans-127.7144.3-176.2-71.1-104.5000110I79 I80 L125 D126 G128I79-N130 WeakPolarHBondContact CA-O 3.37Å; I80-N130 HydrophobicContact CG1-CB 4.49Å; I80-N130 PolarHBondContact N-O 2.81Å; I80-N130 PolarHBondContact O-N 3.11Å; L125-N130 HydrophobicContact CD2-CB 4.23Å; D126-N130 WeakPolarHBondContact CB-OD1 3.37Å; D126-N130 PolarHBondContact N-OD1 2.83Å; D126-N130 PolarHBondContact O-ND2 3.36Å; G128-N130 PolarHBondContact O-ND2 3.35Å
131Q93.5Very high95.3Very high54 Ų5453.7 Ų53.725%0.25226%0.26SS..EExtended strand (participates in β ladder)trans-109.1102.6167.3-177.4177.3-24.700109.3V77 M78 Q133 E174V77-Q131 HydrophobicContact CG1-CG 3.61Å; M78-Q131 WeakPolarHBondContact O-CA 2.99Å; Q131-Q133 HydrophobicContact CG-CG 4.29Å; Q131-E174 PolarHBondContact OE1-OE1 3.31Å
132I94.2Very high95.3Very high20 Ų2060.8 Ų60.810%0.10329%0.285CS..EExtended strand (participates in β ladder)trans-81.9124.2174.9-58.1162.3000107.9V77 M78 I80 F87 F89 M123 L125V77-I132 CarbonylContact C-O 3.58Å; V77-I132 VanDerWaalsContact CA-O 3.26Å; V77-I132 WeakPolarHBondContact CA-O 3.39Å; M78-I132 HydrophobicContact CB-CB 4.49Å; M78-I132 HydrophobicContact CE-CB 4.48Å; M78-I132 HydrophobicContact CE-CD1 4.25Å; M78-I132 HydrophobicContact CE-CG2 4.33Å; M78-I132 PolarHBondContact N-O 3.14Å; M78-I132 PolarHBondContact O-N 3.07Å; I80-I132 HydrophobicContact CD1-CD1 3.34Å; I80-I132 HydrophobicContact CD1-CG1 4.39Å; I80-I132 HydrophobicContact CG1-CD1 3.77Å; I80-I132 HydrophobicContact CG1-CG1 4.4Å; F87-I132 HydrophobicContact CE1-CD1 4.47Å; F89-I132 HydrophobicContact CE1-CD1 4.32Å; F89-I132 HydrophobicContact CE1-CG2 4.42Å; F89-I132 HydrophobicContact CZ-CG2 4.4Å; M123-I132 HydrophobicContact CE-CD1 4.08Å; M123-I132 HydrophobicContact SD-CD1 3.5Å; M123-I132 VanDerWaalsContact SD-CD1 3.5Å; M123-I132 HydrophobicContact SD-CG1 4.03Å; M123-I132 HydrophobicContact SD-CG2 4.34Å; L125-I132 HydrophobicContact CD2-CD1 3.89Å; L125-I132 HydrophobicContact CD2-CG1 3.93Å
133Q95Very high95.3Very high86 Ų8659.3 Ų59.340%0.40228%0.278SS..EExtended strand (participates in β ladder)trans-111.3122.9172.4-59.7175.23.700108.9V77 Q131 L171V77-Q133 HydrophobicContact CG1-CG 4.24Å; V77-Q133 HydrophobicContact CG2-CG 4.25Å; Q131-Q133 HydrophobicContact CG-CG 4.29Å; Q133-L171 HydrophobicContact CB-CD2 4.03Å; Q133-L171 HydrophobicContact CG-CD2 4.28Å; Q133-L171 VanDerWaalsContact OE1-CD2 3.26Å
134F96Very high95.4Very high8 Ų860 Ų604%0.03528%0.279CS..EExtended strand (participates in β ladder)trans-122107.9-172.5-157.3-94.8000110.3F75 L76 F89 F103 A105 M121 L136 F139F75-F134 WeakPolarHBondContact CA-O 3.38Å; L76-F134 HydrophobicContact CB-CB 4.25Å; L76-F134 PolarHBondContact N-O 3.13Å; L76-F134 WeakPolarHBondContact O-CB 3.33Å; L76-F134 PolarHBondContact O-N 2.98Å; F89-F134 HydrophobicContact CE2-CD2 4.3Å; F89-F134 HydrophobicContact CE2-CE2 4.47Å; F89-F134 HydrophobicContact CE2-CG 4.5Å; F89-F134 AromaticContact CZ-CD2 3.83Å; F89-F134 HydrophobicContact CZ-CD2 3.83Å; F89-F134 HydrophobicContact CZ-CE2 4.09Å; F89-F134 HydrophobicContact CZ-CG 4.38Å; F103-F134 HydrophobicContact CB-CE1 4.04Å; F103-F134 HydrophobicContact CB-CZ 3.99Å; F103-F134 HydrophobicContact CG-CE1 4.3Å; F103-F134 HydrophobicContact CG-CZ 4.42Å; A105-F134 HydrophobicContact CB-CE2 4.44Å; M121-F134 HydrophobicContact CE-CE2 4.12Å; M121-F134 HydrophobicContact CE-CZ 3.59Å; M121-F134 HydrophobicContact SD-CE2 3.48Å; M121-F134 WeakPolarHBondContact SD-CE2 3.38Å; M121-F134 HydrophobicContact SD-CZ 3.61Å; F134-L136 HydrophobicContact CD1-CD2 3.53Å; F134-L136 HydrophobicContact CD1-CG 4.03Å; F134-L136 HydrophobicContact CE1-CD2 3.76Å; F134-L136 PolarHBondContact O-N 3.42Å; F134-L136 VanDerWaalsContact O-N 3.16Å; F134-F139 AromaticContact CD1-CD2 3.66Å; F134-F139 HydrophobicContact CD1-CD2 3.66Å; F134-F139 AromaticContact CD1-CE2 3.89Å; F134-F139 HydrophobicContact CD1-CE2 3.89Å; F134-F139 HydrophobicContact CD2-CD2 4.11Å; F134-F139 AromaticContact CD2-CE2 3.5Å; F134-F139 HydrophobicContact CD2-CE2 3.5Å; F134-F139 HydrophobicContact CD2-CZ 4.3Å; F134-F139 AromaticContact CE1-CD2 3.32Å; F134-F139 HydrophobicContact CE1-CD2 3.32Å; F134-F139 AromaticContact CE1-CE2 3.77Å; F134-F139 HydrophobicContact CE1-CE2 3.77Å; F134-F139 HydrophobicContact CE1-CG 4.15Å; F134-F139 AromaticContact CE2-CD2 3.81Å; F134-F139 HydrophobicContact CE2-CD2 3.81Å; F134-F139 AromaticContact CE2-CE2 3.36Å; F134-F139 HydrophobicContact CE2-CE2 3.36Å; F134-F139 AromaticContact CE2-CZ 3.94Å; F134-F139 HydrophobicContact CE2-CZ 3.94Å; F134-F139 HydrophobicContact CG-CD2 4.05Å; F134-F139 AromaticContact CG-CE2 3.78Å; F134-F139 HydrophobicContact CG-CE2 3.78Å; F134-F139 AromaticContact CZ-CD2 3.4Å; F134-F139 HydrophobicContact CZ-CD2 3.4Å; F134-F139 VanDerWaalsContact CZ-CD2 3.4Å; F134-F139 AromaticContact CZ-CE2 3.51Å; F134-F139 HydrophobicContact CZ-CE2 3.51Å; F134-F139 HydrophobicContact CZ-CG 4.1Å; F134-F139 HydrophobicContact CZ-CZ 4.24Å
135N97.1Very high95.6Very high41 Ų4151.4 Ų51.422%0.21927%0.266CS..EExtended strand (participates in β ladder)trans-82.489.9-179.5-172.2-19.4000110.7F75 S137 D138 F139F75-N135 HydrophobicContact CD1-CB 3.96Å; F75-N135 HydrophobicContact CE1-CB 3.66Å; F75-N135 VanDerWaalsContact CE1-CG 3.46Å; F75-N135 WeakPolarHBondContact CE1-ND2 3.34Å; N135-S137 VanDerWaalsContact C-N 3.31Å; N135-S137 PolarHBondContact O-N 2.86Å; N135-S137 PolarHBondContact OD1-N 2.75Å; N135-S137 PolarHBondContact OD1-OG 3.06Å; N135-D138 HydrophobicContact CB-CB 4.1Å; N135-D138 WeakPolarHBondContact ND2-CB 3.26Å; N135-D138 PolarHBondContact O-N 2.84Å; N135-D138 WeakPolarHBondContact OD1-CB 3.25Å; N135-D138 PolarHBondContact OD1-N 3.1Å; N135-F139 WeakPolarHBondContact O-CB 3.5Å; N135-F139 WeakPolarHBondContact O-CD2 3.48Å; N135-F139 WeakPolarHBondContact O-CG 3.17Å; N135-F139 PolarHBondContact O-N 3.16Å
136L97.6Very high95.9Very high0 Ų050.3 Ų50.30%026%0.26CS..Hα-helixtrans-64.1-36-175.3-64.7161.2000112.1P74 L76 V91 V93 F134 T140 Y148 T151 F167P74-L136 VanDerWaalsContact O-CB 3.28Å; P74-L136 WeakPolarHBondContact O-CB 3.3Å; P74-L136 PolarHBondContact O-N 3.45Å; L76-L136 HydrophobicContact CB-CD1 4.02Å; L76-L136 HydrophobicContact CB-CG 4.48Å; V91-L136 HydrophobicContact CB-CD2 4.16Å; V91-L136 HydrophobicContact CG1-CD2 3.73Å; V93-L136 HydrophobicContact CG1-CD2 3.89Å; F134-L136 HydrophobicContact CD1-CD2 3.53Å; F134-L136 HydrophobicContact CD1-CG 4.03Å; F134-L136 HydrophobicContact CE1-CD2 3.76Å; F134-L136 PolarHBondContact O-N 3.42Å; F134-L136 VanDerWaalsContact O-N 3.16Å; L136-T140 VanDerWaalsContact O-CB 3.31Å; L136-T140 WeakPolarHBondContact O-CB 3.12Å; L136-T140 PolarHBondContact O-N 3.26Å; L136-T140 PolarHBondContact O-OG1 2.86Å; L136-Y148 HydrophobicContact CB-CD2 4.01Å; L136-Y148 HydrophobicContact CB-CE2 3.93Å; L136-Y148 HydrophobicContact CB-CG 4.44Å; L136-Y148 HydrophobicContact CD1-CE2 4.16Å; L136-T151 VanDerWaalsContact CD1-OG1 3.3Å; L136-T151 WeakPolarHBondContact CD1-OG1 3.43Å; L136-F167 HydrophobicContact CD1-CD1 4.33Å; L136-F167 HydrophobicContact CD1-CE1 3.78Å
137S97Very high96.1Very high39 Ų3948.6 Ų48.627%0.27325%0.251SS..Hα-helixtrans-66.7-47.1179.4640000111.6N135 T140 R141N135-S137 VanDerWaalsContact C-N 3.31Å; N135-S137 PolarHBondContact O-N 2.86Å; N135-S137 PolarHBondContact OD1-N 2.75Å; N135-S137 PolarHBondContact OD1-OG 3.06Å; S137-T140 PolarHBondContact O-N 2.88Å; S137-R141 PolarHBondContact O-N 2.87Å
138D97.3Very high96.4Very high27 Ų2744.5 Ų44.514%0.14423%0.227CC..Hα-helixtrans-70.1-38.1179-178.563.7000112.7N135 R141 R142N135-D138 HydrophobicContact CB-CB 4.1Å; N135-D138 WeakPolarHBondContact ND2-CB 3.26Å; N135-D138 PolarHBondContact O-N 2.84Å; N135-D138 WeakPolarHBondContact OD1-CB 3.25Å; N135-D138 PolarHBondContact OD1-N 3.1Å; D138-R141 PolarHBondContact O-N 2.9Å; D138-R141 IonicContact OD1-CZ 3.64Å; D138-R141 IonicContact OD1-NE 3.82Å; D138-R141 IonicContact OD1-NH2 2.72Å; D138-R141 PolarHBondContact OD1-NH2 2.82Å; D138-R142 WeakPolarHBondContact O-CB 3.35Å; D138-R142 WeakPolarHBondContact O-CG 3.38Å; D138-R142 PolarHBondContact O-N 2.82Å; D138-R142 IonicContact OD1-NE 3.16Å; D138-R142 IonicContact OD2-CZ 2.94Å; D138-R142 IonicContact OD2-NE 3.52Å; D138-R142 PolarHBondContact OD2-NE 2.83Å; D138-R142 IonicContact OD2-NH1 2.82Å; D138-R142 IonicContact OD2-NH2 2.95Å; D138-R142 PolarHBondContact OD2-NH2 2.79Å
139F96.8Very high96.5Very high47 Ų4747 Ų4721%0.20624%0.235CC..Hα-helixtrans-64.4-39.1173.3-76.4-55.1000112.6F103 M121 F134 N135 A143F103-F139 HydrophobicContact CD1-CB 4.34Å; F103-F139 HydrophobicContact CE1-CB 3.89Å; F103-F139 HydrophobicContact CE2-CB 4.49Å; F103-F139 HydrophobicContact CZ-CB 3.98Å; M121-F139 HydrophobicContact CE-CD1 4.19Å; M121-F139 HydrophobicContact CE-CE1 4.34Å; M121-F139 HydrophobicContact CE-CG 4.47Å; M121-F139 HydrophobicContact SD-CD1 4.4Å; M121-F139 HydrophobicContact SD-CE1 3.96Å; M121-F139 HydrophobicContact SD-CZ 4.04Å; F134-F139 AromaticContact CD1-CD2 3.66Å; F134-F139 HydrophobicContact CD1-CD2 3.66Å; F134-F139 AromaticContact CD1-CE2 3.89Å; F134-F139 HydrophobicContact CD1-CE2 3.89Å; F134-F139 HydrophobicContact CD2-CD2 4.11Å; F134-F139 AromaticContact CD2-CE2 3.5Å; F134-F139 HydrophobicContact CD2-CE2 3.5Å; F134-F139 HydrophobicContact CD2-CZ 4.3Å; F134-F139 AromaticContact CE1-CD2 3.32Å; F134-F139 HydrophobicContact CE1-CD2 3.32Å; F134-F139 AromaticContact CE1-CE2 3.77Å; F134-F139 HydrophobicContact CE1-CE2 3.77Å; F134-F139 HydrophobicContact CE1-CG 4.15Å; F134-F139 AromaticContact CE2-CD2 3.81Å; F134-F139 HydrophobicContact CE2-CD2 3.81Å; F134-F139 AromaticContact CE2-CE2 3.36Å; F134-F139 HydrophobicContact CE2-CE2 3.36Å; F134-F139 AromaticContact CE2-CZ 3.94Å; F134-F139 HydrophobicContact CE2-CZ 3.94Å; F134-F139 HydrophobicContact CG-CD2 4.05Å; F134-F139 AromaticContact CG-CE2 3.78Å; F134-F139 HydrophobicContact CG-CE2 3.78Å; F134-F139 AromaticContact CZ-CD2 3.4Å; F134-F139 HydrophobicContact CZ-CD2 3.4Å; F134-F139 VanDerWaalsContact CZ-CD2 3.4Å; F134-F139 AromaticContact CZ-CE2 3.51Å; F134-F139 HydrophobicContact CZ-CE2 3.51Å; F134-F139 HydrophobicContact CZ-CG 4.1Å; F134-F139 HydrophobicContact CZ-CZ 4.24Å; N135-F139 WeakPolarHBondContact O-CB 3.5Å; N135-F139 WeakPolarHBondContact O-CD2 3.48Å; N135-F139 WeakPolarHBondContact O-CG 3.17Å; N135-F139 PolarHBondContact O-N 3.16Å; F139-A143 VanDerWaalsContact O-CB 3.23Å; F139-A143 WeakPolarHBondContact O-CB 3.21Å; F139-A143 PolarHBondContact O-N 2.94Å
140T97.4Very high96.6Very high0 Ų046.7 Ų46.70%023%0.234CC..Hα-helixtrans-62.6-46.4175.9-550000110.8D95 L136 S137 Y144 T146D95-T140 HydrophobicContact CB-CG2 4.13Å; L136-T140 VanDerWaalsContact O-CB 3.31Å; L136-T140 WeakPolarHBondContact O-CB 3.12Å; L136-T140 PolarHBondContact O-N 3.26Å; L136-T140 PolarHBondContact O-OG1 2.86Å; S137-T140 PolarHBondContact O-N 2.88Å; T140-Y144 PolarHBondContact O-N 2.78Å; T140-T146 CarbonylContact C-O 3.41Å
141R97.6Very high96.8Very high140 Ų14045.9 Ų45.953%0.52823%0.23SC..Hα-helixtrans-62-48.3176.4-176.7175.759.8-149.1-1.3112.4S137 D138 G145 T146S137-R141 PolarHBondContact O-N 2.87Å; D138-R141 PolarHBondContact O-N 2.9Å; D138-R141 IonicContact OD1-CZ 3.64Å; D138-R141 IonicContact OD1-NE 3.82Å; D138-R141 IonicContact OD1-NH2 2.72Å; D138-R141 PolarHBondContact OD1-NH2 2.82Å; R141-G145 VanDerWaalsContact O-CA 3.24Å; R141-G145 WeakPolarHBondContact O-CA 3.46Å; R141-G145 PolarHBondContact O-N 3.31Å; R141-T146 VanDerWaalsContact CA-O 3.26Å; R141-T146 WeakPolarHBondContact CA-O 3.36Å; R141-T146 PolarHBondContact N-O 2.84Å
142R96.5Very high97Very high163 Ų16343.6 Ų43.662%0.61522%0.22SC*.Hα-helixtrans-67.6-38-178.2-74.3-168.7-74.4179.1-5113.4D138D138-R142 WeakPolarHBondContact O-CB 3.35Å; D138-R142 WeakPolarHBondContact O-CG 3.38Å; D138-R142 PolarHBondContact O-N 2.82Å; D138-R142 IonicContact OD1-NE 3.16Å; D138-R142 IonicContact OD2-CZ 2.94Å; D138-R142 IonicContact OD2-NE 3.52Å; D138-R142 PolarHBondContact OD2-NE 2.83Å; D138-R142 IonicContact OD2-NH1 2.82Å; D138-R142 IonicContact OD2-NH2 2.95Å; D138-R142 PolarHBondContact OD2-NH2 2.79Å
143A96.8Very high97.2Very high22 Ų2244.6 Ų44.618%0.18222%0.222CC..Hα-helixtrans-81.6-35-17700000113.2F103 V114 C119 F139F103-A143 HydrophobicContact CE1-CB 3.92Å; F103-A143 HydrophobicContact CZ-CB 4.22Å; V114-A143 HydrophobicContact CG1-CB 4.25Å; V114-A143 WeakPolarHBondContact CG1-O 3.49Å; V114-A143 HydrophobicContact CG2-CB 4.43Å; C119-A143 HydrophobicContact CB-CB 4.36Å; F139-A143 VanDerWaalsContact O-CB 3.23Å; F139-A143 WeakPolarHBondContact O-CB 3.21Å; F139-A143 PolarHBondContact O-N 2.94Å
144Y97.2Very high97.4Very high39 Ų3940.5 Ų40.515%0.15320%0.203CC..Hα-helixtrans-128.5-6.3-168.5-55.1-67.4000114.8R101 F103 V114 K115 P116 I118 C119 T140 T146R101-Y144 HydrophobicContact CB-CD2 4.23Å; R101-Y144 HydrophobicContact CB-CE2 3.6Å; R101-Y144 HydrophobicContact CG-CD2 3.81Å; R101-Y144 HydrophobicContact CG-CE2 3.66Å; R101-Y144 HydrophobicContact CG-CG 4.35Å; F103-Y144 HydrophobicContact CE1-CE2 4.05Å; F103-Y144 HydrophobicContact CE2-CE2 4.27Å; F103-Y144 HydrophobicContact CZ-CD2 4.12Å; F103-Y144 AromaticContact CZ-CE2 3.59Å; F103-Y144 HydrophobicContact CZ-CE2 3.59Å; V114-Y144 HydrophobicContact CG1-CD1 4.46Å; V114-Y144 HydrophobicContact CG1-CE1 4.03Å; K115-Y144 WeakPolarHBondContact O-CE1 3.49Å; P116-Y144 WeakPolarHBondContact O-CE1 3.45Å; I118-Y144 VanDerWaalsContact C-OH 3.28Å; C119-Y144 PolarHBondContact N-OH 2.92Å; C119-Y144 VanDerWaalsContact N-OH 3.16Å; T140-Y144 PolarHBondContact O-N 2.78Å; Y144-T146 WeakPolarHBondContact CB-OG1 3.36Å; Y144-T146 PolarHBondContact O-N 3.33Å
145G97.2Very high97.5Very high62 Ų6241.8 Ų41.864%0.63921%0.209SC*.SBendtrans64.423.7-174.400000113.2R141R141-G145 VanDerWaalsContact O-CA 3.24Å; R141-G145 WeakPolarHBondContact O-CA 3.46Å; R141-G145 PolarHBondContact O-N 3.31Å
146T97.6Very high97.6Very high1 Ų139.9 Ų39.91%0.00620%0.199CC..  trans-120.2163.2-179.253.40000111.3D95 D96 K97 T140 R141 Y144D95-T146 WeakPolarHBondContact CB-OG1 2.83Å; D95-T146 PolarHBondContact OD2-OG1 2.97Å; D96-T146 WeakPolarHBondContact OD1-CB 2.75Å; K97-T146 HydrophobicContact CD-CG2 3.72Å; K97-T146 HydrophobicContact CG-CG2 4Å; T140-T146 CarbonylContact C-O 3.41Å; R141-T146 VanDerWaalsContact CA-O 3.26Å; R141-T146 WeakPolarHBondContact CA-O 3.36Å; R141-T146 PolarHBondContact N-O 2.84Å; Y144-T146 WeakPolarHBondContact CB-OG1 3.36Å; Y144-T146 PolarHBondContact O-N 3.33Å
147N98Very high97.6Very high91 Ų9140.1 Ų40.149%0.48720%0.2SC..  trans-94.3142.3180-60.4-62.3000111.4D95 D96D95-N147 CarbonylContact C-O 3.52Å; D95-N147 VanDerWaalsContact CA-O 3.24Å; D95-N147 WeakPolarHBondContact CA-O 3.33Å; D96-N147 HydrophobicContact CB-CB 4.17Å; D96-N147 PolarHBondContact N-O 3.06Å; D96-N147 PolarHBondContact OD1-N 2.77Å; D96-N147 WeakPolarHBondContact OD2-CB 3.44Å; D96-N147 PolarHBondContact OD2-N 3.02Å; D96-N147 PolarHBondContact OD2-ND2 2.82Å
148Y98.1Very high97.6Very high27 Ų2738.2 Ų38.211%0.10619%0.187CC..EExtended strand (participates in β ladder)trans-71.6132.3173.2168-102.5000111I71 K72 L73 V93 L136 T151I71-Y148 PolarHBondContact O-OH 3.14Å; K72-Y148 WeakPolarHBondContact O-CE1 3.45Å; L73-Y148 WeakPolarHBondContact O-CE1 3.4Å; L73-Y148 PolarHBondContact O-OH 2.76Å; V93-Y148 HydrophobicContact CB-CD2 4.01Å; V93-Y148 HydrophobicContact CB-CE2 4.11Å; V93-Y148 HydrophobicContact CG1-CD2 4Å; V93-Y148 HydrophobicContact CG1-CE2 3.82Å; L136-Y148 HydrophobicContact CB-CD2 4.01Å; L136-Y148 HydrophobicContact CB-CE2 3.93Å; L136-Y148 HydrophobicContact CB-CG 4.44Å; L136-Y148 HydrophobicContact CD1-CE2 4.16Å; Y148-T151 PolarHBondContact OH-N 2.92Å; Y148-T151 VanDerWaalsContact OH-N 3.14Å; Y148-T151 PolarHBondContact OH-OG1 2.8Å
149I97.4Very high97.5Very high74 Ų7437.5 Ų37.538%0.37918%0.183SC..EExtended strand (participates in β ladder)trans-107.1-57176.5-60.4-67.1000110.4L94 D95 D96L94-I149 HydrophobicContact CD2-CG2 4.39Å; L94-I149 WeakPolarHBondContact O-CB 3.31Å; L94-I149 PolarHBondContact O-N 2.77Å; D95-I149 VanDerWaalsContact C-CG1 3.5Å; D96-I149 HydrophobicContact CB-CD1 4.02Å; D96-I149 HydrophobicContact CB-CG1 4.25Å
150E97.2Very high97.5Very high23 Ų2335.3 Ų35.311%0.10717%0.173CC..EExtended strand (participates in β ladder)trans-157.6156.2179.660.7176.1-149.100112.8G70 I71 K72 V93 L94 L152G70-E150 WeakPolarHBondContact CA-OE2 3.39Å; I71-E150 CarbonylContact O-C 3.58Å; I71-E150 WeakPolarHBondContact O-CA 3.39Å; I71-E150 WeakPolarHBondContact O-CB 3.35Å; K72-E150 HydrophobicContact CG-CB 4.4Å; V93-E150 CarbonylContact C-O 3.49Å; V93-E150 WeakPolarHBondContact CA-O 3.16Å; L94-E150 HydrophobicContact CB-CG 3.98Å; L94-E150 HydrophobicContact CD2-CG 4.17Å; L94-E150 PolarHBondContact N-O 2.82Å; E150-L152 HydrophobicContact CG-CD2 3.93Å; E150-L152 VanDerWaalsContact OE1-CD2 3.25Å; E150-L152 WeakPolarHBondContact OE1-CD2 3.41Å
151T98.3Very high97.5Very high0 Ų037.9 Ų37.90%018%0.183CC..EExtended strand (participates in β ladder)trans-84.8128.5167-62.50000110.2L69 G70 I71 V91 L136 Y148 V154 F167L69-T151 WeakPolarHBondContact CB-O 3.46Å; L69-T151 HydrophobicContact CD1-CG2 4.24Å; G70-T151 PolarHBondContact N-O 2.87Å; I71-T151 PolarHBondContact N-O 2.9Å; I71-T151 PolarHBondContact O-N 2.79Å; V91-T151 HydrophobicContact CG1-CG2 3.56Å; L136-T151 VanDerWaalsContact CD1-OG1 3.3Å; L136-T151 WeakPolarHBondContact CD1-OG1 3.43Å; Y148-T151 PolarHBondContact OH-N 2.92Å; Y148-T151 VanDerWaalsContact OH-N 3.14Å; Y148-T151 PolarHBondContact OH-OG1 2.8Å; T151-V154 HydrophobicContact CG2-CG2 4.01Å; T151-F167 HydrophobicContact CG2-CE1 4.13Å; T151-F167 HydrophobicContact CG2-CZ 3.81Å; T151-F167 WeakPolarHBondContact OG1-CE1 3.38Å
152L97.9Very high97.5Very high6 Ų631.2 Ų31.23%0.03116%0.158CC..EExtended strand (participates in β ladder)trans-95.2-40.7-178.4-57.5-177.9000112T68 L69 Q92 L94 R100 E150T68-L152 CarbonylContact C-O 3.51Å; T68-L152 WeakPolarHBondContact CA-O 3.37Å; T68-L152 HydrophobicContact CG2-CB 4.31Å; T68-L152 HydrophobicContact CG2-CD2 4.01Å; L69-L152 PolarHBondContact N-O 2.79Å; Q92-L152 HydrophobicContact CB-CB 4.35Å; Q92-L152 HydrophobicContact CG-CB 4.27Å; Q92-L152 HydrophobicContact CG-CD1 4.22Å; Q92-L152 PolarHBondContact O-N 2.83Å; L94-L152 HydrophobicContact CB-CD1 4.2Å; L94-L152 HydrophobicContact CB-CD2 4.18Å; L94-L152 HydrophobicContact CB-CG 4.23Å; R100-L152 HydrophobicContact CB-CD1 4.42Å; R100-L152 HydrophobicContact CG-CD1 3.79Å; E150-L152 HydrophobicContact CG-CD2 3.93Å; E150-L152 VanDerWaalsContact OE1-CD2 3.25Å; E150-L152 WeakPolarHBondContact OE1-CD2 3.41Å
153R98.1Very high97.5Very high41 Ų4125 Ų2516%0.15513%0.134CC..EExtended strand (participates in β ladder)trans-154.8143-172.6-173.1170.6-66.3-75.7-7.7111.3T60 C61 P62 D64 P65 K67 V91 Q92T60-R153 HydrophobicContact CG2-CG 3.8Å; C61-R153 CarbonylContact O-C 3.52Å; C61-R153 VanDerWaalsContact O-CA 3.26Å; C61-R153 WeakPolarHBondContact O-CA 3.39Å; C61-R153 WeakPolarHBondContact O-CG 3.23Å; P62-R153 PolarHBondContact O-NH1 2.81Å; D64-R153 PolarHBondContact O-NH2 2.89Å; P65-R153 VanDerWaalsContact CA-NH2 3.34Å; P65-R153 PolarHBondContact O-NH2 3.25Å; K67-R153 PolarHBondContact O-NH2 3.42Å; V91-R153 WeakPolarHBondContact CA-O 3.17Å; Q92-R153 HydrophobicContact CB-CB 4.01Å; Q92-R153 PolarHBondContact N-O 3.01Å; Q92-R153 PolarHBondContact O-N 2.87Å
154V98.4Very high97.4Very high0 Ų024.2 Ų24.20%013%0.127CC..EExtended strand (participates in β ladder)trans-123.1134.9170.8179.10000108.3I13 W25 T60 C61 L69 E90 V91 T151 I156 F167I13-V154 HydrophobicContact CD1-CB 4.33Å; I13-V154 HydrophobicContact CD1-CG2 4.17Å; W25-V154 HydrophobicContact CH2-CB 4.37Å; W25-V154 HydrophobicContact CH2-CG1 4.13Å; T60-V154 WeakPolarHBondContact CA-O 3.39Å; C61-V154 PolarHBondContact N-O 2.66Å; C61-V154 PolarHBondContact O-N 3.2Å; L69-V154 HydrophobicContact CD1-CG2 3.95Å; E90-V154 CarbonylContact O-C 3.55Å; E90-V154 WeakPolarHBondContact O-CA 3.33Å; V91-V154 HydrophobicContact CG1-CG2 4.28Å; T151-V154 HydrophobicContact CG2-CG2 4.01Å; V154-I156 HydrophobicContact CG1-CD1 4.5Å; V154-I156 HydrophobicContact CG1-CG1 4.19Å; V154-F167 HydrophobicContact CG2-CZ 4.06Å
155Q98.3Very high97.4Very high35 Ų3522.4 Ų22.416%0.16412%0.12CC..EExtended strand (participates in β ladder)trans-132.7128.7177175.9175.2-35.800109.5Y58 I59 F89 E90 H157Y58-Q155 HydrophobicContact CD2-CG 3.95Å; Y58-Q155 HydrophobicContact CG-CG 4.22Å; I59-Q155 VanDerWaalsContact O-CA 3.29Å; I59-Q155 WeakPolarHBondContact O-CA 3.43Å; F89-Q155 CarbonylContact C-O 3.52Å; F89-Q155 VanDerWaalsContact CA-O 3.32Å; F89-Q155 WeakPolarHBondContact CA-O 2.99Å; E90-Q155 HydrophobicContact CB-CB 4.35Å; E90-Q155 PolarHBondContact N-O 3.45Å; E90-Q155 PolarHBondContact O-N 3.31Å; Q155-H157 PolarHBondContact NE2-CE1 2.93Å; Q155-H157 PolarHBondContact NE2-NE2 2.92Å
156I98.2Very high97.4Very high0 Ų019.6 Ų19.60%09%0.09CC..EExtended strand (participates in β ladder)trans-121126.1-177.7-55.7174.1000108W25 Y58 I59 M78 F87 F89 V154 I162 V165W25-I156 HydrophobicContact CH2-CD1 4.09Å; W25-I156 HydrophobicContact CZ3-CD1 4.34Å; W25-I156 HydrophobicContact CZ3-CG1 4.48Å; Y58-I156 CarbonylContact C-O 3.59Å; Y58-I156 VanDerWaalsContact CA-O 3.23Å; Y58-I156 WeakPolarHBondContact CA-O 3.43Å; Y58-I156 VanDerWaalsContact CB-O 3.3Å; Y58-I156 WeakPolarHBondContact CB-O 3.2Å; I59-I156 HydrophobicContact CD1-CB 4.45Å; I59-I156 HydrophobicContact CG1-CB 4Å; I59-I156 PolarHBondContact N-O 2.89Å; I59-I156 PolarHBondContact O-N 2.94Å; M78-I156 HydrophobicContact SD-CD1 3.96Å; M78-I156 HydrophobicContact SD-CG1 4.35Å; F87-I156 HydrophobicContact CE2-CG2 3.65Å; F87-I156 HydrophobicContact CZ-CG2 3.96Å; F89-I156 HydrophobicContact CB-CG1 4.35Å; V154-I156 HydrophobicContact CG1-CD1 4.5Å; V154-I156 HydrophobicContact CG1-CG1 4.19Å; I156-I162 HydrophobicContact CB-CD1 4.26Å; I156-I162 HydrophobicContact CD1-CD1 4.05Å; I156-I162 HydrophobicContact CG2-CD1 3.69Å; I156-I162 HydrophobicContact CG2-CG1 4.5Å; I156-V165 HydrophobicContact CD1-CG2 3.78Å
157H98.1Very high97.4Very high5 Ų519.5 Ų19.52%0.0239%0.09CC..EExtended strand (participates in β ladder)trans-93175.7-175.5-70.6-104.2000113V54 T88 E90 Q155 C160V54-H157 HydrophobicContact CG1-CB 3.7Å; V54-H157 WeakPolarHBondContact O-CB 3.38Å; V54-H157 PolarHBondContact O-ND1 2.82Å; T88-H157 HydrophobicContact CG2-CB 3.62Å; T88-H157 VanDerWaalsContact CG2-CG 3.48Å; T88-H157 VanDerWaalsContact O-CB 3.23Å; T88-H157 WeakPolarHBondContact O-CB 3.44Å; T88-H157 PolarHBondContact O-N 3.11Å; E90-H157 IonicContact OE1-NE2 3.46Å; E90-H157 PolarHBondContact OE1-NE2 2.84Å; Q155-H157 PolarHBondContact NE2-CE1 2.93Å; Q155-H157 PolarHBondContact NE2-NE2 2.92Å; H157-C160 PolarHBondContact O-SG 3.37Å
158A96.5Very high97.3Very high0 Ų015.3 Ų15.30%07%0.067CC..SBendtrans-59.1165.9-177.600000114.7V49 T57V49-A158 CarbonylContact O-C 3.53Å; T57-A158 HydrophobicContact CG2-CB 4.24Å; T57-A158 WeakPolarHBondContact O-CB 3.49Å; T57-A158 PolarHBondContact O-N 2.64Å
159N96.9Very high97.1Very high11 Ų1116.7 Ų16.76%0.0598%0.076CC..SBendtrans69.244.9176.5-46.9-42.1000114.4V49 G51 K85 Y86V49-N159 WeakPolarHBondContact O-CA 3.43Å; V49-N159 PolarHBondContact O-N 3.16Å; G51-N159 PolarHBondContact N-OD1 3.15Å; G51-N159 PolarHBondContact O-ND2 2.94Å; G51-N159 PolarHBondContact O-OD1 2.95Å; K85-N159 HydrophobicContact CB-CB 3.57Å; K85-N159 HydrophobicContact CD-CB 4.24Å; Y86-N159 WeakPolarHBondContact O-CB 3.49Å; Y86-N159 PolarHBondContact O-ND2 2.96Å
160C96.7Very high97Very high1 Ų118.7 Ų18.71%0.0078%0.079CC..EExtended strand (participates in β ladder)trans-140.3160.2170.165.70000111.1V49 F87 H157 I162V49-C160 PolarHBondContact N-O 2.7Å; V49-C160 PolarHBondContact O-N 3.31Å; V49-C160 VanDerWaalsContact O-N 3.15Å; F87-C160 HydrophobicContact CD2-CB 3.54Å; F87-C160 HydrophobicContact CE2-CB 3.56Å; F87-C160 WeakPolarHBondContact CE2-SG 3.44Å; F87-C160 HydrophobicContact CG-CB 4.31Å; F87-C160 HydrophobicContact CZ-CB 4.34Å; H157-C160 PolarHBondContact O-SG 3.37Å; C160-I162 VanDerWaalsContact SG-CG1 3.59Å
161R97.6Very high96.7Very high55 Ų5521.6 Ų21.621%0.20810%0.095CC..EExtended strand (participates in β ladder)trans-110.6129.2161.1-64.1173.1179.8179.6-4.3108.5I37 D39 V46 L47 E48 I80 K81 L83 W129I37-R161 VanDerWaalsContact CD1-CZ 3.46Å; D39-R161 WeakPolarHBondContact OD2-CD 3.45Å; D39-R161 IonicContact OD2-CZ 2.84Å; D39-R161 IonicContact OD2-NE 2.83Å; D39-R161 IonicContact OD2-NH1 3.99Å; D39-R161 PolarHBondContact OD2-NH1 2.97Å; V46-R161 HydrophobicContact CB-CB 4.43Å; V46-R161 HydrophobicContact CG2-CB 4.06Å; V46-R161 HydrophobicContact CG2-CG 4.28Å; L47-R161 CarbonylContact O-C 3.48Å; L47-R161 WeakPolarHBondContact O-CA 3.24Å; E48-R161 HydrophobicContact CB-CG 4.15Å; E48-R161 HydrophobicContact CG-CG 4.1Å; E48-R161 IonicContact OE2-CZ 3.29Å; E48-R161 VanDerWaalsContact OE2-CZ 3.27Å; E48-R161 IonicContact OE2-NE 3.27Å; E48-R161 PolarHBondContact OE2-NE 3.38Å; E48-R161 IonicContact OE2-NH2 3.58Å; E48-R161 PolarHBondContact OE2-NH2 3.3Å; I80-R161 CarbonylContact C-O 3.48Å; I80-R161 WeakPolarHBondContact CA-O 3.31Å; K81-R161 HydrophobicContact CB-CB 3.88Å; K81-R161 PolarHBondContact N-O 2.8Å; L83-R161 HydrophobicContact CD1-CG 4.35Å; L83-R161 HydrophobicContact CD2-CG 4.14Å; W129-R161 HydrophobicContact CH2-CB 4.21Å
162I97.3Very high96.2Very high0 Ų023.5 Ų23.50%010%0.102CC..EExtended strand (participates in β ladder)trans-111.6126.2-174.4-49.1168.6000108.1L14 L47 V49 I59 I80 I156 C160 V165L14-I162 HydrophobicContact CD1-CG2 4.48Å; L14-I162 HydrophobicContact CD2-CB 4.46Å; L14-I162 HydrophobicContact CD2-CG2 3.71Å; L47-I162 HydrophobicContact CB-CB 4.5Å; L47-I162 PolarHBondContact N-O 3.25Å; L47-I162 PolarHBondContact O-N 2.95Å; V49-I162 HydrophobicContact CG2-CD1 4.16Å; I59-I162 HydrophobicContact CD1-CD1 3.83Å; I80-I162 HydrophobicContact CG2-CG1 4.37Å; I156-I162 HydrophobicContact CB-CD1 4.26Å; I156-I162 HydrophobicContact CD1-CD1 4.05Å; I156-I162 HydrophobicContact CG2-CD1 3.69Å; I156-I162 HydrophobicContact CG2-CG1 4.5Å; C160-I162 VanDerWaalsContact SG-CG1 3.59Å; I162-V165 HydrophobicContact CG2-CG2 3.64Å
163R95.9Very high95.7Very high31 Ų3125.9 Ų25.912%0.11712%0.12CC..EExtended strand (participates in β ladder)trans-97.3-50.3174.7179.169.3-179.194.912.2111.3Y15 S16 I17 I42 I79 W129Y15-R163 VanDerWaalsContact CE2-NH2 3.33Å; Y15-R163 PolarHBondContact OH-NH2 3.09Å; S16-R163 PolarHBondContact N-O 3Å; S16-R163 WeakPolarHBondContact OG-CD 3.11Å; S16-R163 PolarHBondContact OG-NH1 2.81Å; S16-R163 PolarHBondContact OG-O 3.33Å; S16-R163 VanDerWaalsContact OG-O 3.13Å; I17-R163 VanDerWaalsContact CD1-CZ 3.43Å; I42-R163 HydrophobicContact CD1-CG 4.39Å; I79-R163 HydrophobicContact CB-CB 4.16Å; I79-R163 HydrophobicContact CG2-CB 3.85Å; I79-R163 HydrophobicContact CG2-CG 4.32Å; I79-R163 PolarHBondContact O-N 3.09Å; W129-R163 HydrophobicContact CH2-CB 3.93Å; W129-R163 HydrophobicContact CZ3-CB 3.65Å
164R95.6Very high95Very high7 Ų728 Ų283%0.02613%0.131CC..EExtended strand (participates in β ladder)trans-150.3143-177-165.1175.2-88.8-133.6-6.5110.5L14 Y15 I79 Y166 E180 F181L14-R164 CarbonylContact O-C 3.54Å; L14-R164 VanDerWaalsContact O-CA 3.31Å; L14-R164 WeakPolarHBondContact O-CA 3.28Å; Y15-R164 HydrophobicContact CD2-CB 4.33Å; Y15-R164 HydrophobicContact CD2-CG 4.17Å; Y15-R164 VanDerWaalsContact CD2-NE 3.29Å; I79-R164 HydrophobicContact CD1-CB 4.16Å; I79-R164 HydrophobicContact CG1-CB 4.48Å; I79-R164 PolarHBondContact N-O 3.31Å; R164-Y166 HydrophobicContact CG-CD1 3.95Å; R164-E180 IonicContact CZ-OE1 2.63Å; R164-E180 PolarHBondContact NE-O 3.2Å; R164-E180 VanDerWaalsContact NE-O 3.11Å; R164-E180 PolarHBondContact NH1-O 3.04Å; R164-E180 IonicContact NH1-OE1 3.33Å; R164-E180 PolarHBondContact NH1-OE1 2.95Å; R164-E180 PolarHBondContact NH2-O 2.66Å; R164-E180 VanDerWaalsContact NH2-O 3.13Å; R164-E180 IonicContact NH2-OE1 3.4Å; R164-F181 VanDerWaalsContact NH1-CD1 3.27Å; R164-F181 VanDerWaalsContact NH1-CE2 3.33Å
165V97.3Very high94.4Very high0 Ų034.9 Ų34.90%017%0.168CC..EExtended strand (participates in β ladder)trans-131.5121.8168.8-176.60000107.5I13 L14 L76 V77 M78 I156 I162I13-V165 HydrophobicContact CD1-CB 4.3Å; I13-V165 HydrophobicContact CD1-CG1 3.54Å; I13-V165 HydrophobicContact CG1-CB 3.92Å; I13-V165 HydrophobicContact CG1-CG1 3.61Å; I13-V165 WeakPolarHBondContact CG1-O 3.41Å; I13-V165 PolarHBondContact N-O 3.4Å; L14-V165 HydrophobicContact CB-CB 4.01Å; L14-V165 HydrophobicContact CB-CG2 4.15Å; L14-V165 PolarHBondContact N-O 3.19Å; L14-V165 VanDerWaalsContact N-O 3.12Å; L14-V165 PolarHBondContact O-N 3.4Å; L76-V165 HydrophobicContact CD1-CG1 3.71Å; V77-V165 WeakPolarHBondContact O-CA 3.46Å; M78-V165 HydrophobicContact CG-CB 4.33Å; M78-V165 HydrophobicContact CG-CG1 3.77Å; M78-V165 HydrophobicContact CG-CG2 3.99Å; I156-V165 HydrophobicContact CD1-CG2 3.78Å; I162-V165 HydrophobicContact CG2-CG2 3.64Å
166Y96.4Very high93.8Very high3 Ų337.5 Ų37.51%0.01218%0.18CC..EExtended strand (participates in β ladder)trans-145.8161.9-176.966.8-83.5000111F10 L11 V77 R164 F181F10-Y166 AromaticContact CD1-CD2 3.91Å; F10-Y166 HydrophobicContact CD1-CD2 3.91Å; F10-Y166 AromaticContact CD1-CE2 3.75Å; F10-Y166 HydrophobicContact CD1-CE2 3.75Å; F10-Y166 HydrophobicContact CE1-CE2 4.11Å; L11-Y166 CarbonylContact O-C 3.57Å; L11-Y166 VanDerWaalsContact O-CA 3.23Å; L11-Y166 WeakPolarHBondContact O-CA 3.44Å; L11-Y166 WeakPolarHBondContact O-CB 3.43Å; V77-Y166 HydrophobicContact CB-CD1 4.11Å; V77-Y166 HydrophobicContact CB-CD2 4.21Å; V77-Y166 HydrophobicContact CB-CE1 3.66Å; V77-Y166 HydrophobicContact CB-CE2 3.76Å; V77-Y166 HydrophobicContact CB-CG 4.39Å; V77-Y166 VanDerWaalsContact CB-CZ 3.48Å; V77-Y166 HydrophobicContact CG1-CD1 4.41Å; V77-Y166 HydrophobicContact CG1-CE1 3.55Å; V77-Y166 HydrophobicContact CG1-CE2 4.25Å; V77-Y166 VanDerWaalsContact CG1-CZ 3.47Å; V77-Y166 WeakPolarHBondContact CG1-OH 3.35Å; V77-Y166 HydrophobicContact CG2-CE2 3.96Å; V77-Y166 PolarHBondContact N-O 2.86Å; V77-Y166 PolarHBondContact O-N 3.16Å; V77-Y166 VanDerWaalsContact O-O 3.11Å; R164-Y166 HydrophobicContact CG-CD1 3.95Å; Y166-F181 AromaticContact CD1-CD1 3.8Å; Y166-F181 HydrophobicContact CD1-CD1 3.8Å; Y166-F181 HydrophobicContact CD1-CE1 4.14Å; Y166-F181 AromaticContact CD2-CD1 3.81Å; Y166-F181 HydrophobicContact CD2-CD1 3.81Å; Y166-F181 AromaticContact CD2-CE1 3.83Å; Y166-F181 HydrophobicContact CD2-CE1 3.83Å; Y166-F181 AromaticContact CE1-CD1 3.88Å; Y166-F181 HydrophobicContact CE1-CD1 3.88Å; Y166-F181 AromaticContact CE2-CD1 3.91Å; Y166-F181 HydrophobicContact CE2-CD1 3.91Å; Y166-F181 HydrophobicContact CE2-CE1 4.36Å; Y166-F181 AromaticContact CG-CD1 3.74Å; Y166-F181 HydrophobicContact CG-CD1 3.74Å; Y166-F181 AromaticContact CG-CE1 3.69Å; Y166-F181 HydrophobicContact CG-CE1 3.69Å; Y166-F181 AromaticContact CZ-CD1 3.92Å
167F97.4Very high93.2Very high0 Ų037.8 Ų37.80%018%0.182CC..EExtended strand (participates in β ladder)trans-106.7152.7169.9-68-103.3000110.6F10 L11 I13 I71 L73 F75 L76 L136 T151 V154F10-F167 CarbonylContact C-O 3.59Å; F10-F167 WeakPolarHBondContact CA-O 3.33Å; L11-F167 HydrophobicContact CB-CB 4.48Å; L11-F167 PolarHBondContact N-O 3.11Å; L11-F167 PolarHBondContact O-N 3.42Å; I13-F167 HydrophobicContact CD1-CE2 3.81Å; I13-F167 HydrophobicContact CG1-CE2 4.32Å; I13-F167 HydrophobicContact CG2-CD2 4.17Å; I13-F167 HydrophobicContact CG2-CE2 4.03Å; I71-F167 HydrophobicContact CD1-CD2 3.68Å; I71-F167 HydrophobicContact CD1-CE2 3.46Å; I71-F167 VanDerWaalsContact CD1-CE2 3.46Å; I71-F167 HydrophobicContact CD1-CG 4.48Å; I71-F167 HydrophobicContact CD1-CZ 4.12Å; I71-F167 HydrophobicContact CG2-CB 4.04Å; I71-F167 HydrophobicContact CG2-CD1 3.75Å; I71-F167 HydrophobicContact CG2-CD2 3.95Å; I71-F167 HydrophobicContact CG2-CE1 4.12Å; I71-F167 HydrophobicContact CG2-CE2 4.31Å; I71-F167 HydrophobicContact CG2-CG 3.66Å; I71-F167 HydrophobicContact CG2-CZ 4.39Å; L73-F167 HydrophobicContact CB-CB 3.66Å; L73-F167 HydrophobicContact CB-CD1 4.46Å; L73-F167 HydrophobicContact CB-CG 4.46Å; L73-F167 HydrophobicContact CD1-CB 3.73Å; L73-F167 HydrophobicContact CG-CB 4.32Å; F75-F167 CarbonylContact O-C 3.57Å; F75-F167 WeakPolarHBondContact O-CA 3.39Å; F75-F167 WeakPolarHBondContact O-CB 3.24Å; L76-F167 HydrophobicContact CB-CD1 4.2Å; L76-F167 HydrophobicContact CB-CE1 4.01Å; L76-F167 HydrophobicContact CD1-CD1 4.43Å; L76-F167 HydrophobicContact CD1-CD2 4.27Å; L76-F167 HydrophobicContact CD1-CE1 4.11Å; L76-F167 HydrophobicContact CD1-CE2 3.93Å; L76-F167 HydrophobicContact CD1-CZ 3.83Å; L136-F167 HydrophobicContact CD1-CD1 4.33Å; L136-F167 HydrophobicContact CD1-CE1 3.78Å; T151-F167 HydrophobicContact CG2-CE1 4.13Å; T151-F167 HydrophobicContact CG2-CZ 3.81Å; T151-F167 WeakPolarHBondContact OG1-CE1 3.38Å; V154-F167 HydrophobicContact CG2-CZ 4.06Å
168S96.2Very high92.7Very high2 Ų240.1 Ų40.11%0.01420%0.197CC..EExtended strand (participates in β ladder)trans-136155.417261.90000112.7G9 P74 F75 R170G9-S168 WeakPolarHBondContact O-CA 3.43Å; P74-S168 WeakPolarHBondContact CD-O 3.45Å; F75-S168 WeakPolarHBondContact CB-OG 3.48Å; F75-S168 PolarHBondContact N-O 3.47Å; F75-S168 VanDerWaalsContact N-O 3.11Å; F75-S168 PolarHBondContact O-N 2.7Å; S168-R170 WeakPolarHBondContact CB-O 3.39Å; S168-R170 PolarHBondContact OG-O 3.17Å
169D94.4Very high92Very high56 Ų5643 Ų4330%0.29922%0.221SC..SBendtrans-72.7-33.4174.952.78.6000112.6G9 L73 P74 Y172G9-D169 WeakPolarHBondContact CA-OD2 3.2Å; G9-D169 PolarHBondContact N-OD2 3.22Å; G9-D169 PolarHBondContact O-N 3.14Å; L73-D169 HydrophobicContact CD2-CB 3.9Å; P74-D169 VanDerWaalsContact CG-O 3.24Å; P74-D169 WeakPolarHBondContact CG-O 2.98Å; D169-Y172 WeakPolarHBondContact OD1-CE2 3.45Å; D169-Y172 PolarHBondContact OD1-OH 3.29Å
170R93.7Very high91.3Very high116 Ų11647.7 Ų47.744%0.43824%0.243SC..SBendtrans-137.8172.5175.867-174.4-172.7156.713.6112.4S168 Y172 E176S168-R170 WeakPolarHBondContact CB-O 3.39Å; S168-R170 PolarHBondContact OG-O 3.17Å; R170-Y172 HydrophobicContact CG-CD1 4.45Å; R170-Y172 HydrophobicContact CG-CD2 3.9Å; R170-Y172 HydrophobicContact CG-CE1 4.23Å; R170-Y172 HydrophobicContact CG-CE2 3.63Å; R170-Y172 HydrophobicContact CG-CG 4.33Å; R170-Y172 VanDerWaalsContact NE-CE1 3.26Å; R170-Y172 WeakPolarHBondContact O-CD2 3.43Å; R170-Y172 PolarHBondContact O-N 3Å; R170-E176 IonicContact CZ-OE1 3.63Å; R170-E176 IonicContact CZ-OE2 2.74Å; R170-E176 IonicContact NH1-OE1 3.95Å; R170-E176 IonicContact NH2-OE1 2.72Å; R170-E176 PolarHBondContact NH2-OE1 2.96Å; R170-E176 IonicContact NH2-OE2 3.81Å; R170-E176 PolarHBondContact NH2-OE2 3.32Å
171L91.2Very high90.5Very high85 Ų8548.3 Ų48.345%0.44525%0.245SC..  trans-79.1114.5164.2-64-178.3000108.1F75 Q133F75-L171 HydrophobicContact CB-CD2 4.38Å; F75-L171 HydrophobicContact CD1-CD1 4.44Å; F75-L171 HydrophobicContact CD1-CD2 3.29Å; F75-L171 HydrophobicContact CD1-CG 3.71Å; F75-L171 HydrophobicContact CE1-CD1 3.91Å; F75-L171 HydrophobicContact CE1-CD2 3.61Å; F75-L171 HydrophobicContact CE1-CG 3.44Å; F75-L171 VanDerWaalsContact CE1-CG 3.44Å; F75-L171 HydrophobicContact CG-CD2 3.83Å; F75-L171 HydrophobicContact CG-CG 4.32Å; F75-L171 HydrophobicContact CZ-CD2 4.4Å; F75-L171 HydrophobicContact CZ-CG 3.9Å; Q133-L171 HydrophobicContact CB-CD2 4.03Å; Q133-L171 HydrophobicContact CG-CD2 4.28Å; Q133-L171 VanDerWaalsContact OE1-CD2 3.26Å
172Y89.5Confident89.7Confident39 Ų3948 Ų4815%0.15325%0.245CC..  trans-88.7141.7174.5-72-91.6000109.5G9 F10 D169 R170 E176 L177G9-Y172 WeakPolarHBondContact CA-OH 3.41Å; F10-Y172 HydrophobicContact CD1-CD2 4.43Å; F10-Y172 HydrophobicContact CD1-CE2 4.34Å; F10-Y172 AromaticContact CE1-CD2 3.36Å; F10-Y172 HydrophobicContact CE1-CD2 3.36Å; F10-Y172 AromaticContact CE1-CE2 3.55Å; F10-Y172 HydrophobicContact CE1-CE2 3.55Å; F10-Y172 AromaticContact CE1-CG 3.94Å; F10-Y172 HydrophobicContact CE1-CG 3.94Å; F10-Y172 HydrophobicContact CE2-CD2 4.41Å; F10-Y172 HydrophobicContact CE2-CE1 4.26Å; F10-Y172 HydrophobicContact CE2-CE2 4.06Å; F10-Y172 AromaticContact CE2-CZ 3.97Å; F10-Y172 AromaticContact CZ-CD1 3.84Å; F10-Y172 HydrophobicContact CZ-CD1 3.84Å; F10-Y172 AromaticContact CZ-CD2 3.35Å; F10-Y172 HydrophobicContact CZ-CD2 3.35Å; F10-Y172 AromaticContact CZ-CE1 3.88Å; F10-Y172 HydrophobicContact CZ-CE1 3.88Å; F10-Y172 AromaticContact CZ-CE2 3.39Å; F10-Y172 HydrophobicContact CZ-CE2 3.39Å; F10-Y172 AromaticContact CZ-CG 3.56Å; F10-Y172 HydrophobicContact CZ-CG 3.56Å; F10-Y172 AromaticContact CZ-CZ 3.65Å; D169-Y172 WeakPolarHBondContact OD1-CE2 3.45Å; D169-Y172 PolarHBondContact OD1-OH 3.29Å; R170-Y172 HydrophobicContact CG-CD1 4.45Å; R170-Y172 HydrophobicContact CG-CD2 3.9Å; R170-Y172 HydrophobicContact CG-CE1 4.23Å; R170-Y172 HydrophobicContact CG-CE2 3.63Å; R170-Y172 HydrophobicContact CG-CG 4.33Å; R170-Y172 VanDerWaalsContact NE-CE1 3.26Å; R170-Y172 WeakPolarHBondContact O-CD2 3.43Å; R170-Y172 PolarHBondContact O-N 3Å; Y172-E176 WeakPolarHBondContact CA-OE2 3.39Å; Y172-E176 HydrophobicContact CD1-CB 3.8Å; Y172-L177 HydrophobicContact CG-CD2 4.42Å
173S87.3Confident88.7Confident56 Ų5650.1 Ų50.139%0.39226%0.257SS..  trans-70.4161167.970.30000110.3D175 E176 L177S173-D175 PolarHBondContact O-N 3.17Å; S173-D175 VanDerWaalsContact O-N 3.17Å; S173-E176 PolarHBondContact N-OE2 3.49Å; S173-E176 PolarHBondContact O-N 3.04Å; S173-E176 VanDerWaalsContact O-N 3.1Å; S173-E176 WeakPolarHBondContact OG-CG 3.2Å; S173-E176 PolarHBondContact OG-N 3.02Å; S173-L177 WeakPolarHBondContact O-CG 3.24Å; S173-L177 PolarHBondContact O-N 2.89Å
174E83.4Confident87.6Confident86 Ų8655.4 Ų55.440%0.40228%0.278SS..THydrogen-bonded Turntrans-53.8-36.4175.7-77.7-59.3128.200111.8Q131 L177 K182Q131-E174 PolarHBondContact OE1-OE1 3.31Å; E174-L177 PolarHBondContact O-N 2.88Å; E174-K182 WeakPolarHBondContact O-CD 3.37Å; E174-K182 WeakPolarHBondContact O-CE 3.4Å; E174-K182 PolarHBondContact O-NZ 3.1Å
175D84.7Confident86.5Confident144 Ų14459.9 Ų59.977%0.7730%0.302SS*.THydrogen-bonded Turntrans-68.2-35.5-179.9-64.3-39.1000113.3S173 K182S173-D175 PolarHBondContact O-N 3.17Å; S173-D175 VanDerWaalsContact O-N 3.17Å; D175-K182 PolarHBondContact O-NZ 2.72Å
176E86.6Confident84.9Confident90 Ų9062.4 Ų62.442%0.42132%0.318SS..THydrogen-bonded Turntrans-79-18.7179.7-63.4177.9133.700113.3R170 Y172 S173R170-E176 IonicContact CZ-OE1 3.63Å; R170-E176 IonicContact CZ-OE2 2.74Å; R170-E176 IonicContact NH1-OE1 3.95Å; R170-E176 IonicContact NH2-OE1 2.72Å; R170-E176 PolarHBondContact NH2-OE1 2.96Å; R170-E176 IonicContact NH2-OE2 3.81Å; R170-E176 PolarHBondContact NH2-OE2 3.32Å; Y172-E176 WeakPolarHBondContact CA-OE2 3.39Å; Y172-E176 HydrophobicContact CD1-CB 3.8Å; S173-E176 PolarHBondContact N-OE2 3.49Å; S173-E176 PolarHBondContact O-N 3.04Å; S173-E176 VanDerWaalsContact O-N 3.1Å; S173-E176 WeakPolarHBondContact OG-CG 3.2Å; S173-E176 PolarHBondContact OG-N 3.02Å
177L85.7Confident82.8Confident7 Ų768.3 Ų68.34%0.03735%0.354CS..SBendtrans-67133.8179.4-74.1175.9000110.4F10 Y172 S173 E174 F181 K182F10-L177 HydrophobicContact CE1-CD2 3.59Å; F10-L177 HydrophobicContact CZ-CD2 3.78Å; Y172-L177 HydrophobicContact CG-CD2 4.42Å; S173-L177 WeakPolarHBondContact O-CG 3.24Å; S173-L177 PolarHBondContact O-N 2.89Å; E174-L177 PolarHBondContact O-N 2.88Å; L177-F181 HydrophobicContact CB-CB 4.48Å; L177-F181 HydrophobicContact CD2-CB 4.14Å; L177-K182 HydrophobicContact CB-CD 4.43Å; L177-K182 HydrophobicContact CB-CG 3.67Å; L177-K182 WeakPolarHBondContact O-CE 3.36Å
178P85.8Confident80.6Confident53 Ų5375.2 Ų75.234%0.34439%0.386SS..  trans-60.7148167.1-18.930000110F10 E180 F181 K182F10-P178 HydrophobicContact CD2-CG 4.39Å; F10-P178 HydrophobicContact CE2-CG 3.99Å; P178-E180 HydrophobicContact CB-CG 4.06Å; P178-E180 PolarHBondContact O-N 3.41Å; P178-F181 HydrophobicContact CB-CD2 4.02Å; P178-F181 HydrophobicContact CG-CD2 3.91Å; P178-F181 HydrophobicContact CG-CE2 4.39Å; P178-F181 PolarHBondContact O-N 3.24Å; P178-K182 PolarHBondContact O-N 2.63Å
179A82Confident77.9Confident61 Ų6182.2 Ų82.250%0.50442%0.424SS..THydrogen-bonded Turntrans-52.3-32.2-175.400000113.6F181 K182 Y184A179-F181 VanDerWaalsContact C-N 3.3Å; A179-F181 PolarHBondContact O-N 2.93Å; A179-K182 PolarHBondContact O-N 2.74Å; A179-Y184 HydrophobicContact CB-CE2 4.27Å; A179-Y184 WeakPolarHBondContact O-CE2 3.26Å
180E82.5Confident75.1Confident109 Ų10988.8 Ų88.851%0.50945%0.45SS..THydrogen-bonded Turntrans-70-20.4177.655.3165.8-96.200115.1R164 P178R164-E180 IonicContact CZ-OE1 2.63Å; R164-E180 PolarHBondContact NE-O 3.2Å; R164-E180 VanDerWaalsContact NE-O 3.11Å; R164-E180 PolarHBondContact NH1-O 3.04Å; R164-E180 IonicContact NH1-OE1 3.33Å; R164-E180 PolarHBondContact NH1-OE1 2.95Å; R164-E180 PolarHBondContact NH2-O 2.66Å; R164-E180 VanDerWaalsContact NH2-O 3.13Å; R164-E180 IonicContact NH2-OE1 3.4Å; P178-E180 HydrophobicContact CB-CG 4.06Å; P178-E180 PolarHBondContact O-N 3.41Å
181F80.5Confident72.3Confident14 Ų1487.6 Ų87.66%0.06146%0.464CS..THydrogen-bonded Turntrans-96.1-15.6174.8-69.1-87.8000112.9F10 I79 R164 Y166 L177 P178 A179F10-F181 HydrophobicContact CB-CE1 3.85Å; F10-F181 HydrophobicContact CB-CE2 3.99Å; F10-F181 HydrophobicContact CB-CZ 3.47Å; F10-F181 VanDerWaalsContact CB-CZ 3.47Å; F10-F181 HydrophobicContact CD1-CD1 4.32Å; F10-F181 HydrophobicContact CD1-CE1 4.28Å; F10-F181 HydrophobicContact CD1-CZ 4.46Å; F10-F181 HydrophobicContact CD2-CE2 4.32Å; F10-F181 HydrophobicContact CG-CD2 4.45Å; F10-F181 HydrophobicContact CG-CE1 4.22Å; F10-F181 HydrophobicContact CG-CE2 4.09Å; F10-F181 AromaticContact CG-CZ 3.96Å; F10-F181 HydrophobicContact CG-CZ 3.96Å; I79-F181 WeakPolarHBondContact CD1-O 3.37Å; R164-F181 VanDerWaalsContact NH1-CD1 3.27Å; R164-F181 VanDerWaalsContact NH1-CE2 3.33Å; Y166-F181 AromaticContact CD1-CD1 3.8Å; Y166-F181 HydrophobicContact CD1-CD1 3.8Å; Y166-F181 HydrophobicContact CD1-CE1 4.14Å; Y166-F181 AromaticContact CD2-CD1 3.81Å; Y166-F181 HydrophobicContact CD2-CD1 3.81Å; Y166-F181 AromaticContact CD2-CE1 3.83Å; Y166-F181 HydrophobicContact CD2-CE1 3.83Å; Y166-F181 AromaticContact CE1-CD1 3.88Å; Y166-F181 HydrophobicContact CE1-CD1 3.88Å; Y166-F181 AromaticContact CE2-CD1 3.91Å; Y166-F181 HydrophobicContact CE2-CD1 3.91Å; Y166-F181 HydrophobicContact CE2-CE1 4.36Å; Y166-F181 AromaticContact CG-CD1 3.74Å; Y166-F181 HydrophobicContact CG-CD1 3.74Å; Y166-F181 AromaticContact CG-CE1 3.69Å; Y166-F181 HydrophobicContact CG-CE1 3.69Å; Y166-F181 AromaticContact CZ-CD1 3.92Å; L177-F181 HydrophobicContact CB-CB 4.48Å; L177-F181 HydrophobicContact CD2-CB 4.14Å; P178-F181 HydrophobicContact CB-CD2 4.02Å; P178-F181 HydrophobicContact CG-CD2 3.91Å; P178-F181 HydrophobicContact CG-CE2 4.39Å; P178-F181 PolarHBondContact O-N 3.24Å; A179-F181 VanDerWaalsContact C-N 3.3Å; A179-F181 PolarHBondContact O-N 2.93Å
182K80.1Confident69.5Low48 Ų4893.5 Ų93.521%0.20949%0.486CS..SBendtrans-75.4151.1175.7-60.2-164-157.9-160.20111.7E174 D175 L177 P178 A179 Y184E174-K182 WeakPolarHBondContact O-CD 3.37Å; E174-K182 WeakPolarHBondContact O-CE 3.4Å; E174-K182 PolarHBondContact O-NZ 3.1Å; D175-K182 PolarHBondContact O-NZ 2.72Å; L177-K182 HydrophobicContact CB-CD 4.43Å; L177-K182 HydrophobicContact CB-CG 3.67Å; L177-K182 WeakPolarHBondContact O-CE 3.36Å; P178-K182 PolarHBondContact O-N 2.63Å; A179-K182 PolarHBondContact O-N 2.74Å; K182-Y184 HydrophobicContact CB-CD2 4.34Å; K182-Y184 HydrophobicContact CB-CE2 3.8Å
183L76.7Confident66.9Low46 Ų46104.2 Ų104.224%0.24154%0.538CS..  trans-97.8108.4168.8-176.173.1000109.3I42 I79 W129I42-L183 HydrophobicContact CG2-CD1 3.78Å; I79-L183 HydrophobicContact CG2-CD1 3.99Å; W129-L183 HydrophobicContact CB-CD2 3.46Å; W129-L183 VanDerWaalsContact CB-CD2 3.46Å; W129-L183 HydrophobicContact CD2-CD1 4.43Å; W129-L183 HydrophobicContact CE3-CD1 4.5Å; W129-L183 HydrophobicContact CG-CD2 4.1Å
184Y73.7Confident65.9Low141 Ų141106.6 Ų106.655%0.55355%0.545SS*.  trans-92.3115.1170.5-63.2-80.5000109.6A179 K182A179-Y184 HydrophobicContact CB-CE2 4.27Å; A179-Y184 WeakPolarHBondContact O-CE2 3.26Å; K182-Y184 HydrophobicContact CB-CD2 4.34Å; K182-Y184 HydrophobicContact CB-CE2 3.8Å
185L70.7Confident64.9Low102 Ų102107.7 Ų107.753%0.53455%0.553SS.*  trans-88.1120.9163.2-68168.9000107.2D41 I42 V187D41-L185 HydrophobicContact CB-CD2 4.31Å; I42-L185 HydrophobicContact CG2-CD2 3.63Å; L185-V187 PolarHBondContact O-N 3.22Å
186P64Low63.8Low52 Ų52105.7 Ų105.734%0.33854%0.54SS..  trans-54135.8168.2-17.130.4000109D41 Q43 Q188D41-P186 WeakPolarHBondContact O-CD 3.32Å; Q43-P186 HydrophobicContact CG-CG 4.18Å; P186-Q188 PolarHBondContact O-N 2.98Å
187V53.7Low62.5Low127 Ų127106.6 Ų106.677%0.7755%0.548SS*.  trans-60.2106.1171.1-178.40000106.9L185 N189L185-V187 PolarHBondContact O-N 3.22Å; V187-N189 PolarHBondContact O-N 3.29Å
188Q49.8Very low61Low146 Ų146112.8 Ų112.868%0.68258%0.579SS**  trans-65.5105.1166.7-72.3-177.1-3.500105.9P186 K190P186-Q188 PolarHBondContact O-N 2.98Å; Q188-K190 PolarHBondContact O-N 3.04Å
189N40.6Very low59.4Low149 Ų149116.8 Ų116.880%0.79760%0.595SS**  trans-55.799.5161.9-83.7-18.4000105.8V187 A191V187-N189 PolarHBondContact O-N 3.29Å; N189-A191 PolarHBondContact O-N 2.88Å
190K35.8Very low57.8Low194 Ų194120.8 Ų120.884%0.84360%0.602SS**  trans-58.396.4162.8-80.8-174175.8-178.60105.1Q188 K192Q188-K190 PolarHBondContact O-N 3.04Å; K190-K192 VanDerWaalsContact C-N 3.31Å; K190-K192 PolarHBondContact O-N 2.72Å
191A34.7Very low55.9Low90 Ų90121.7 Ų121.774%0.74461%0.609SS**  trans-55.2106.4162.300000105.3N189 Q193N189-A191 PolarHBondContact O-N 2.88Å; A191-Q193 PolarHBondContact O-N 2.77Å
192K32.6Very low53.8Low209 Ų209130.7 Ų130.791%0.90965%0.654SS**  trans-59.8105.5161.3-76.7-180173.2-179.40105.8K190K190-K192 VanDerWaalsContact C-N 3.31Å; K190-K192 PolarHBondContact O-N 2.72Å
193Q33.6Very low51.4Low264 Ų264138.2 Ų138.2100%1.23470%0.695SS**  trans-120.60148-77.6-170.8-0.300106.7A191A191-Q193 PolarHBondContact O-N 2.77Å

Retrieved 193 of 193 residues in 62.6 ms (Link to these results)

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