A0A023SGA8_HUMAN Loading...

Truncated MHC class I polypeptide-related protein A

AlphaFold DB , UniProt , Accession A0A023SGA8, Species HUMAN (Homo sapiens, Human), Gene MICA, Length 308 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
1P89.7Confident96.1Very high74 Ų7433.8 Ų33.848%0.48117%0.173SC..  0147.6025.2-35.8000109.1E96 I97P1-E96 HydrophobicContact CB-CB 4.44Å; P1-I97 CarbonylContact C-O 3.54Å; P1-I97 WeakPolarHBondContact CA-O 3.04Å; P1-I97 WeakPolarHBondContact CB-O 3.37Å
2H92.6Very high96.1Very high80 Ų8031 Ų3137%0.3716%0.159SC..EExtended strand (participates in β ladder)trans-77.5147.7164-70.4-67.3000109.4D28 E96 I97 L167 L171H2-D28 WeakPolarHBondContact CA-OD1 3.45Å; H2-D28 WeakPolarHBondContact CB-OD1 3.5Å; H2-D28 IonicContact CE1-OD2 2.96Å; H2-D28 PolarHBondContact CE1-OD2 2.88Å; H2-D28 IonicContact CG-OD1 2.84Å; H2-D28 IonicContact CG-OD2 2.76Å; H2-D28 IonicContact ND1-OD1 3.68Å; H2-D28 PolarHBondContact ND1-OD1 3.42Å; H2-D28 IonicContact ND1-OD2 3.14Å; H2-D28 PolarHBondContact ND1-OD2 2.88Å; H2-E96 CarbonylContact O-C 3.57Å; H2-E96 WeakPolarHBondContact O-CA 3.35Å; H2-I97 PolarHBondContact N-O 3.41Å; H2-I97 PolarHBondContact O-N 2.9Å; H2-L167 HydrophobicContact CB-CD1 4.27Å; H2-L171 HydrophobicContact CB-CD1 3.85Å; H2-L171 HydrophobicContact CB-CD2 4.02Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.47Å
3S95.5Very high95.9Very high22 Ų2239.5 Ų39.515%0.15419%0.188CC..EExtended strand (participates in β ladder)trans-145.4145.9-176.961.20000113L27 D28 C95S3-L27 WeakPolarHBondContact O-CA 3.17Å; S3-D28 PolarHBondContact N-OD1 3.38Å; S3-D28 PolarHBondContact O-N 3.38Å; S3-C95 CarbonylContact C-O 3.52Å; S3-C95 VanDerWaalsContact CA-O 3.26Å; S3-C95 WeakPolarHBondContact CA-O 3.38Å
4L97.1Very high95.5Very high0 Ų043.5 Ų43.50%021%0.211CC..EExtended strand (participates in β ladder)trans-124.7122.9170.6-175.963.5000108.5Y6 V25 H26 L27 V94 C95 E166 L167 Y170L4-Y6 HydrophobicContact CD1-CE2 4.4Å; L4-Y6 HydrophobicContact CD2-CE2 3.53Å; L4-Y6 WeakPolarHBondContact CD2-OH 3.42Å; L4-Y6 HydrophobicContact CG-CD2 4.29Å; L4-Y6 HydrophobicContact CG-CE2 3.61Å; L4-V25 HydrophobicContact CD1-CG1 3.57Å; L4-V25 HydrophobicContact CG-CG1 4.39Å; L4-H26 WeakPolarHBondContact CA-O 3.43Å; L4-L27 HydrophobicContact CD1-CD1 4.25Å; L4-V94 WeakPolarHBondContact O-CA 3.13Å; L4-C95 PolarHBondContact N-O 3.39Å; L4-C95 PolarHBondContact O-N 3.42Å; L4-E166 HydrophobicContact CD2-CB 3.79Å; L4-L167 HydrophobicContact CB-CB 3.96Å; L4-L167 HydrophobicContact CB-CD1 4.07Å; L4-L167 HydrophobicContact CB-CD2 4.46Å; L4-L167 HydrophobicContact CB-CG 4.37Å; L4-L167 HydrophobicContact CD2-CB 4.2Å; L4-Y170 HydrophobicContact CD1-CD2 4.13Å; L4-Y170 HydrophobicContact CD1-CE2 4.15Å; L4-Y170 HydrophobicContact CD2-CD2 4.12Å; L4-Y170 HydrophobicContact CD2-CE2 4.07Å
5R97.8Very high94.9Very high94 Ų9443.3 Ų43.336%0.35523%0.225SC..EExtended strand (participates in β ladder)trans-126115.8-175.9179.9-175.1175.5107.1-9110.3V25 H26 I92 R93 V94R5-V25 CarbonylContact O-C 3.53Å; R5-V25 VanDerWaalsContact O-CA 3.27Å; R5-V25 WeakPolarHBondContact O-CA 3.09Å; R5-H26 HydrophobicContact CB-CB 4.36Å; R5-H26 PolarHBondContact N-O 2.94Å; R5-H26 PolarHBondContact O-N 3.44Å; R5-I92 HydrophobicContact CG-CG2 3.96Å; R5-R93 CarbonylContact C-O 3.54Å; R5-R93 WeakPolarHBondContact CA-O 3.36Å; R5-V94 HydrophobicContact CB-CB 4.48Å; R5-V94 HydrophobicContact CB-CG2 4.27Å; R5-V94 HydrophobicContact CG-CB 4.48Å
6Y97.6Very high94.7Very high10 Ų1045.9 Ų45.94%0.03925%0.248CC..EExtended strand (participates in β ladder)trans-94.4127.7170.8-64.7-91.6000109.2L4 V25 E61 L65 I92 R93L4-Y6 HydrophobicContact CD1-CE2 4.4Å; L4-Y6 HydrophobicContact CD2-CE2 3.53Å; L4-Y6 WeakPolarHBondContact CD2-OH 3.42Å; L4-Y6 HydrophobicContact CG-CD2 4.29Å; L4-Y6 HydrophobicContact CG-CE2 3.61Å; Y6-V25 HydrophobicContact CD1-CB 4.24Å; Y6-V25 HydrophobicContact CD1-CG1 3.79Å; Y6-V25 HydrophobicContact CD1-CG2 3.44Å; Y6-V25 VanDerWaalsContact CD1-CG2 3.44Å; Y6-V25 HydrophobicContact CE1-CB 4.36Å; Y6-V25 HydrophobicContact CE1-CG1 3.71Å; Y6-V25 HydrophobicContact CE1-CG2 3.67Å; Y6-V25 HydrophobicContact CE2-CG1 4.47Å; Y6-V25 HydrophobicContact CG-CG1 4.2Å; Y6-V25 HydrophobicContact CG-CG2 4.38Å; Y6-E61 WeakPolarHBondContact CE1-OE2 3.46Å; Y6-E61 PolarHBondContact OH-OE1 3.18Å; Y6-L65 HydrophobicContact CD1-CD2 3.95Å; Y6-L65 HydrophobicContact CE1-CD2 4.42Å; Y6-I92 VanDerWaalsContact O-CA 3.31Å; Y6-I92 WeakPolarHBondContact O-CA 3.44Å; Y6-R93 PolarHBondContact N-O 3.33Å; Y6-R93 PolarHBondContact O-N 3.14Å
7N97.8Very high94.7Very high31 Ų3145.4 Ų45.417%0.16625%0.246CC..EExtended strand (participates in β ladder)trans-120.1109.9173.3-176.7-10.9000108.9A23 E24 Q90N7-A23 CarbonylContact O-C 3.6Å; N7-A23 WeakPolarHBondContact O-CA 3.23Å; N7-E24 PolarHBondContact N-O 3.14Å; N7-E24 PolarHBondContact O-N 2.62Å; N7-Q90 PolarHBondContact ND2-NE2 2.77Å; N7-Q90 WeakPolarHBondContact OD1-CG 3.18Å; N7-Q90 PolarHBondContact OD1-NE2 3.11Å
8L97.8Very high94.6Very high1 Ų146.1 Ų46.11%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-112.1135.9178.5-74.375.9000109.5L22 A23 L65 N68 L72 Q90 E91L8-L22 CarbonylContact C-O 3.55Å; L8-L22 WeakPolarHBondContact CA-O 3.47Å; L8-A23 HydrophobicContact CD1-CB 4.49Å; L8-A23 HydrophobicContact CG-CB 3.97Å; L8-L65 HydrophobicContact CD1-CD2 3.97Å; L8-L65 HydrophobicContact CD2-CD2 4.33Å; L8-L65 HydrophobicContact CG-CD2 4.32Å; L8-N68 HydrophobicContact CD2-CB 3.44Å; L8-N68 VanDerWaalsContact CD2-CB 3.44Å; L8-L72 HydrophobicContact CB-CD2 3.98Å; L8-Q90 CarbonylContact O-C 3.58Å; L8-Q90 WeakPolarHBondContact O-CA 3.5Å; L8-Q90 WeakPolarHBondContact O-CG 3.39Å; L8-E91 PolarHBondContact N-O 3.05Å; L8-E91 PolarHBondContact O-N 3.28Å
9T98Very high94.2Very high21 Ų2149 Ų4913%0.12927%0.272CS..EExtended strand (participates in β ladder)trans-133.6133.2179.1-53.90000110.8L11 F21 L22 L89 Q90T9-L11 HydrophobicContact CG2-CD2 4.24Å; T9-F21 WeakPolarHBondContact O-CA 3.33Å; T9-L22 PolarHBondContact N-O 2.76Å; T9-L22 PolarHBondContact O-N 3.3Å; T9-L89 WeakPolarHBondContact CA-O 3.39Å; T9-Q90 HydrophobicContact CG2-CB 4.46Å; T9-Q90 PolarHBondContact OG1-NE2 3.18Å
10V97.4Very high94Very high0 Ų047.2 Ų47.20%027%0.265CS..EExtended strand (participates in β ladder)trans-121151.3173.3-64.10000109.4F21 L72 R73 L76 S88 L89V10-F21 HydrophobicContact CG1-CB 3.72Å; V10-L72 HydrophobicContact CG1-CB 4.11Å; V10-L72 HydrophobicContact CG1-CD2 4.07Å; V10-L72 HydrophobicContact CG1-CG 4.16Å; V10-L72 HydrophobicContact CG2-CB 4.41Å; V10-L72 HydrophobicContact CG2-CD2 4.06Å; V10-L72 HydrophobicContact CG2-CG 3.78Å; V10-R73 HydrophobicContact CB-CG 3.91Å; V10-R73 HydrophobicContact CG1-CB 4.47Å; V10-R73 HydrophobicContact CG1-CG 3.45Å; V10-R73 VanDerWaalsContact CG1-CG 3.45Å; V10-L76 HydrophobicContact CB-CD2 4.37Å; V10-L76 HydrophobicContact CG2-CB 3.91Å; V10-L76 HydrophobicContact CG2-CD2 3.76Å; V10-L76 HydrophobicContact CG2-CG 4.46Å; V10-S88 WeakPolarHBondContact O-CA 3.44Å; V10-L89 HydrophobicContact CG2-CB 3.83Å; V10-L89 HydrophobicContact CG2-CG 4.48Å; V10-L89 WeakPolarHBondContact CG2-O 3.26Å; V10-L89 PolarHBondContact N-O 3.45Å; V10-L89 PolarHBondContact O-N 3.33Å
11L96.4Very high94Very high39 Ų3945.5 Ų45.520%0.20426%0.255CS..EExtended strand (participates in β ladder)trans-126.4148.3-174.4-57.8176000110.3T9 Q18 L86 H87T9-L11 HydrophobicContact CG2-CD2 4.24Å; L11-Q18 HydrophobicContact CB-CG 4.38Å; L11-Q18 WeakPolarHBondContact O-CB 3.46Å; L11-Q18 PolarHBondContact O-N 3.13Å; L11-L86 HydrophobicContact CB-CD1 4.38Å; L11-H87 VanDerWaalsContact CA-O 3.32Å; L11-H87 WeakPolarHBondContact CA-O 3.46Å
12S95.4Very high94.3Very high0 Ų045.8 Ų45.80%025%0.252CS..EExtended strand (participates in β ladder)trans-128.9154.5164.762.60000110.9S16 Q82 L86 H87S12-S16 CarbonylContact C-O 3.47Å; S12-S16 WeakPolarHBondContact CA-O 3.45Å; S12-S16 VanDerWaalsContact CB-O 3.3Å; S12-S16 WeakPolarHBondContact CB-O 3.36Å; S12-Q82 PolarHBondContact OG-OE1 3.3Å; S12-L86 WeakPolarHBondContact O-CA 3.3Å; S12-H87 PolarHBondContact N-O 2.99Å; S12-H87 PolarHBondContact O-N 3.42Å
13W93.8Very high94.4Very high142 Ų14242.1 Ų42.154%0.53824%0.235SC..EExtended strand (participates in β ladder)trans-130.2124.6175.1-176.4-81.4000108.4G15 S16 G85 L86W13-G15 PolarHBondContact O-N 3.11Å; W13-S16 PolarHBondContact N-O 2.97Å; W13-S16 WeakPolarHBondContact O-CB 3.48Å; W13-S16 PolarHBondContact O-N 2.81Å; W13-G85 WeakPolarHBondContact CA-O 3.41Å; W13-L86 HydrophobicContact CE3-CB 3.73Å; W13-L86 HydrophobicContact CE3-CD1 3.94Å; W13-L86 HydrophobicContact CE3-CG 4.43Å; W13-L86 HydrophobicContact CZ3-CB 3.75Å
14D90.3Very high94.5Very high95 Ų9544.6 Ų44.651%0.50824%0.244SC..THydrogen-bonded Turntrans49.944.9-177.6-60.9-29000112.6S16 G85D14-S16 PolarHBondContact O-N 2.78Å; D14-G85 PolarHBondContact N-O 2.92Å; D14-G85 PolarHBondContact OD1-N 3.31Å
15G85.9Confident94.4Very high41 Ų4144.6 Ų44.642%0.42325%0.245SC..THydrogen-bonded Turntrans76.6-3.9-178.200000115.6W13W13-G15 PolarHBondContact O-N 3.11Å
16S91.8Very high94.2Very high85 Ų8542 Ų4259%0.59424%0.236SC*.EExtended strand (participates in β ladder)trans-95.1112.8178.1-164.80000111.6S12 W13 D14 Q18S12-S16 CarbonylContact C-O 3.47Å; S12-S16 WeakPolarHBondContact CA-O 3.45Å; S12-S16 VanDerWaalsContact CB-O 3.3Å; S12-S16 WeakPolarHBondContact CB-O 3.36Å; W13-S16 PolarHBondContact N-O 2.97Å; W13-S16 WeakPolarHBondContact O-CB 3.48Å; W13-S16 PolarHBondContact O-N 2.81Å; D14-S16 PolarHBondContact O-N 2.78Å; S16-Q18 PolarHBondContact O-N 2.89Å
17V94.4Very high94Very high37 Ų3741.6 Ų41.622%0.22424%0.235CC..EExtended strand (participates in β ladder)trans-70.2128.1178.4-178.20000110.8R73 L76 A77V17-R73 HydrophobicContact CG1-CB 3.91Å; V17-R73 HydrophobicContact CG1-CG 3.83Å; V17-L76 HydrophobicContact CG1-CD2 4.31Å; V17-L76 HydrophobicContact CG2-CB 4.41Å; V17-L76 HydrophobicContact CG2-CD2 4.22Å; V17-L76 HydrophobicContact CG2-CG 4.02Å; V17-A77 HydrophobicContact CG2-CB 3.96Å
18Q93.7Very high93.7Very high57 Ų5741.4 Ų41.427%0.26623%0.234SC..EExtended strand (participates in β ladder)trans-67.1150.8178.5-63-172.221.700112L11 S16 G20 R73L11-Q18 HydrophobicContact CB-CG 4.38Å; L11-Q18 WeakPolarHBondContact O-CB 3.46Å; L11-Q18 PolarHBondContact O-N 3.13Å; S16-Q18 PolarHBondContact O-N 2.89Å; Q18-G20 VanDerWaalsContact C-N 3.28Å; Q18-G20 PolarHBondContact O-N 3.19Å; Q18-R73 WeakPolarHBondContact O-CD 3.35Å
19S87.6Confident93.1Very high102 Ų10243.7 Ų43.771%0.71326%0.257SS*.EExtended strand (participates in β ladder)trans-69.2-18.7-176.257.10000115.2R73S19-R73 PolarHBondContact O-NH1 3.46Å
20G88.8Confident92.6Very high12 Ų1243.7 Ų43.712%0.12426%0.256CS..EExtended strand (participates in β ladder)trans-117.5178.2-178.100000113.4Q18Q18-G20 VanDerWaalsContact C-N 3.28Å; Q18-G20 PolarHBondContact O-N 3.19Å
21F94.8Very high92.2Very high13 Ų1346.5 Ų46.56%0.05727%0.274CS..EExtended strand (participates in β ladder)trans-140165.2179.666.7-81.4000109.7T9 V10 A23 Y35 L65T9-F21 WeakPolarHBondContact O-CA 3.33Å; V10-F21 HydrophobicContact CG1-CB 3.72Å; F21-A23 HydrophobicContact CD2-CB 4.09Å; F21-A23 HydrophobicContact CE2-CB 3.88Å; F21-Y35 HydrophobicContact CE1-CD1 4.31Å; F21-Y35 AromaticContact CE1-CE1 3.74Å; F21-Y35 HydrophobicContact CE1-CE1 3.74Å; F21-Y35 HydrophobicContact CE1-CE2 4.43Å; F21-Y35 AromaticContact CE1-CZ 3.79Å; F21-Y35 AromaticContact CE2-CD1 3.94Å; F21-Y35 HydrophobicContact CE2-CD1 3.94Å; F21-Y35 HydrophobicContact CE2-CD2 4.17Å; F21-Y35 HydrophobicContact CE2-CE1 4.17Å; F21-Y35 HydrophobicContact CE2-CE2 4.37Å; F21-Y35 AromaticContact CE2-CG 3.94Å; F21-Y35 HydrophobicContact CE2-CG 3.94Å; F21-Y35 AromaticContact CZ-CD1 3.78Å; F21-Y35 HydrophobicContact CZ-CD1 3.78Å; F21-Y35 AromaticContact CZ-CD2 3.91Å; F21-Y35 HydrophobicContact CZ-CD2 3.91Å; F21-Y35 AromaticContact CZ-CE1 3.53Å; F21-Y35 HydrophobicContact CZ-CE1 3.53Å; F21-Y35 AromaticContact CZ-CE2 3.65Å; F21-Y35 HydrophobicContact CZ-CE2 3.65Å; F21-Y35 AromaticContact CZ-CG 3.96Å; F21-Y35 HydrophobicContact CZ-CG 3.96Å; F21-Y35 AromaticContact CZ-CZ 3.44Å; F21-Y35 VanDerWaalsContact CZ-CZ 3.44Å; F21-L65 HydrophobicContact CE2-CB 4.26Å; F21-L65 WeakPolarHBondContact CE2-O 3.45Å; F21-L65 HydrophobicContact CZ-CB 4.35Å; F21-L65 VanDerWaalsContact CZ-O 3.23Å; F21-L65 WeakPolarHBondContact CZ-O 3.4Å
22L95Very high91.9Very high79 Ų7944.7 Ų44.741%0.41427%0.265SS..EExtended strand (participates in β ladder)trans-108.1140.8170.1-58.1173.6000107.8L8 T9L8-L22 CarbonylContact C-O 3.55Å; L8-L22 WeakPolarHBondContact CA-O 3.47Å; T9-L22 PolarHBondContact N-O 2.76Å; T9-L22 PolarHBondContact O-N 3.3Å
23A96.4Very high91.8Very high3 Ų344.8 Ų44.83%0.02527%0.265CS..EExtended strand (participates in β ladder)trans-143.7137.2170.400000111.7N7 L8 F21 R34 Y35 L65N7-A23 CarbonylContact O-C 3.6Å; N7-A23 WeakPolarHBondContact O-CA 3.23Å; L8-A23 HydrophobicContact CD1-CB 4.49Å; L8-A23 HydrophobicContact CG-CB 3.97Å; F21-A23 HydrophobicContact CD2-CB 4.09Å; F21-A23 HydrophobicContact CE2-CB 3.88Å; A23-R34 WeakPolarHBondContact O-CA 3.32Å; A23-Y35 PolarHBondContact O-N 3.26Å; A23-L65 HydrophobicContact CB-CD1 4.35Å; A23-L65 HydrophobicContact CB-CD2 4.06Å
24E95.9Very high91.8Very high74 Ų7443.7 Ų43.735%0.34626%0.261SS..EExtended strand (participates in β ladder)trans-132.4136.1173.6-65.7-173.9168.900109.1N7 L33 R34N7-E24 PolarHBondContact N-O 3.14Å; N7-E24 PolarHBondContact O-N 2.62Å; E24-L33 WeakPolarHBondContact CA-O 3.31Å; E24-R34 HydrophobicContact CG-CG 4.24Å; E24-R34 IonicContact OE1-CZ 3.32Å; E24-R34 IonicContact OE1-NH1 3.24Å; E24-R34 PolarHBondContact OE1-NH1 3.19Å
25V95.8Very high92Very high1 Ų139.8 Ų39.81%0.00624%0.239CC..EExtended strand (participates in β ladder)trans-118.8132.1178.4-166.50000108.4L4 R5 Y6 F32 L33 L65L4-V25 HydrophobicContact CD1-CG1 3.57Å; L4-V25 HydrophobicContact CG-CG1 4.39Å; R5-V25 CarbonylContact O-C 3.53Å; R5-V25 VanDerWaalsContact O-CA 3.27Å; R5-V25 WeakPolarHBondContact O-CA 3.09Å; Y6-V25 HydrophobicContact CD1-CB 4.24Å; Y6-V25 HydrophobicContact CD1-CG1 3.79Å; Y6-V25 HydrophobicContact CD1-CG2 3.44Å; Y6-V25 VanDerWaalsContact CD1-CG2 3.44Å; Y6-V25 HydrophobicContact CE1-CB 4.36Å; Y6-V25 HydrophobicContact CE1-CG1 3.71Å; Y6-V25 HydrophobicContact CE1-CG2 3.67Å; Y6-V25 HydrophobicContact CE2-CG1 4.47Å; Y6-V25 HydrophobicContact CG-CG1 4.2Å; Y6-V25 HydrophobicContact CG-CG2 4.38Å; V25-F32 HydrophobicContact CG1-CD1 4.46Å; V25-F32 WeakPolarHBondContact O-CB 3.38Å; V25-F32 PolarHBondContact O-N 3.34Å; V25-L33 HydrophobicContact CB-CB 3.95Å; V25-L33 HydrophobicContact CG2-CB 4.08Å; V25-L33 HydrophobicContact CG2-CD1 4.37Å; V25-L33 HydrophobicContact CG2-CD2 4.07Å; V25-L33 HydrophobicContact CG2-CG 4.41Å; V25-L33 PolarHBondContact N-O 3.31Å; V25-L33 PolarHBondContact O-N 3.16Å; V25-L33 VanDerWaalsContact O-N 3.15Å; V25-L65 HydrophobicContact CG2-CD1 4.47Å
26H93.9Very high92.1Very high38 Ų3839.3 Ų39.318%0.17623%0.227CC..EExtended strand (participates in β ladder)trans-113.7134.8177-62.867.2000109.9L4 R5 Q30L4-H26 WeakPolarHBondContact CA-O 3.43Å; R5-H26 HydrophobicContact CB-CB 4.36Å; R5-H26 PolarHBondContact N-O 2.94Å; R5-H26 PolarHBondContact O-N 3.44Å; H26-Q30 CarbonylContact C-O 3.54Å; H26-Q30 WeakPolarHBondContact CA-O 3.47Å
27L93.1Very high91.8Very high2 Ų239.7 Ų39.71%0.0122%0.215CC..EExtended strand (participates in β ladder)trans-114.1121.9172.7-178.766.2000107.6S3 L4 G29 Q30 F32 W48 L167 Y170 V175 V176S3-L27 WeakPolarHBondContact O-CA 3.17Å; L4-L27 HydrophobicContact CD1-CD1 4.25Å; L27-G29 PolarHBondContact O-N 3.26Å; L27-Q30 PolarHBondContact N-O 2.9Å; L27-Q30 WeakPolarHBondContact O-CB 3.36Å; L27-Q30 PolarHBondContact O-N 3.47Å; L27-F32 HydrophobicContact CB-CB 3.88Å; L27-F32 HydrophobicContact CB-CD1 4.39Å; L27-F32 HydrophobicContact CB-CD2 4.39Å; L27-F32 HydrophobicContact CB-CG 3.97Å; L27-F32 HydrophobicContact CD2-CD2 4.24Å; L27-F32 HydrophobicContact CD2-CE2 4.31Å; L27-W48 HydrophobicContact CB-CH2 4.43Å; L27-W48 HydrophobicContact CD2-CH2 4.46Å; L27-W48 HydrophobicContact CD2-CZ3 4.25Å; L27-L167 HydrophobicContact CD1-CD1 3.61Å; L27-Y170 HydrophobicContact CD2-CG 4.45Å; L27-V175 HydrophobicContact CD2-CG1 3.52Å; L27-V176 HydrophobicContact CD1-CG2 4.49Å; L27-V176 HydrophobicContact CD2-CG2 3.57Å; L27-V176 HydrophobicContact CG-CG2 3.95Å
28D90.7Very high91.4Very high27 Ų2746.5 Ų46.514%0.14425%0.245CC..THydrogen-bonded Turntrans5240.2-173.9-63.7-14.7000113.5H2 S3 Q30 V176 Y207H2-D28 WeakPolarHBondContact CA-OD1 3.45Å; H2-D28 WeakPolarHBondContact CB-OD1 3.5Å; H2-D28 IonicContact CE1-OD2 2.96Å; H2-D28 PolarHBondContact CE1-OD2 2.88Å; H2-D28 IonicContact CG-OD1 2.84Å; H2-D28 IonicContact CG-OD2 2.76Å; H2-D28 IonicContact ND1-OD1 3.68Å; H2-D28 PolarHBondContact ND1-OD1 3.42Å; H2-D28 IonicContact ND1-OD2 3.14Å; H2-D28 PolarHBondContact ND1-OD2 2.88Å; S3-D28 PolarHBondContact N-OD1 3.38Å; S3-D28 PolarHBondContact O-N 3.38Å; D28-Q30 PolarHBondContact O-N 3.07Å; D28-V176 WeakPolarHBondContact OD2-CG1 3.16Å; D28-Y207 PolarHBondContact O-OH 3.24Å
29G87Confident91.1Very high49 Ų4950.4 Ų50.451%0.50526%0.261SS..THydrogen-bonded Turntrans75.53.9-178.200000114.7L27L27-G29 PolarHBondContact O-N 3.26Å
30Q85.7Confident91.1Very high22 Ų2249.2 Ų49.210%0.10325%0.252CS..EExtended strand (participates in β ladder)trans-104.9137.2-178.5-62.5-56.2-42.400112.7H26 L27 D28 F32 W48 R179 Y207H26-Q30 CarbonylContact C-O 3.54Å; H26-Q30 WeakPolarHBondContact CA-O 3.47Å; L27-Q30 PolarHBondContact N-O 2.9Å; L27-Q30 WeakPolarHBondContact O-CB 3.36Å; L27-Q30 PolarHBondContact O-N 3.47Å; D28-Q30 PolarHBondContact O-N 3.07Å; Q30-F32 PolarHBondContact O-N 3.14Å; Q30-F32 VanDerWaalsContact O-N 3.14Å; Q30-W48 HydrophobicContact CB-CZ2 4.26Å; Q30-R179 VanDerWaalsContact CB-NH1 3.3Å; Q30-R179 VanDerWaalsContact CG-CZ 3.47Å; Q30-Y207 HydrophobicContact CG-CE2 3.75Å; Q30-Y207 WeakPolarHBondContact CG-OH 3.41Å
31P89.9Confident91.3Very high59 Ų5955.4 Ų55.438%0.38327%0.271SS..EExtended strand (participates in β ladder)trans-56.9120.8175-22.732.4000110.4Q45 W48P31-Q45 HydrophobicContact CB-CB 4.26Å; P31-W48 WeakPolarHBondContact O-CZ2 3.4Å
32F90.8Very high91.2Very high0 Ų055 Ų550%027%0.27CS..EExtended strand (participates in β ladder)trans-120.9-38.9-170.7167.8-110.6000111.9V25 L27 Q30 Q45 W48 A49 L53 W58 Y170 V175V25-F32 HydrophobicContact CG1-CD1 4.46Å; V25-F32 WeakPolarHBondContact O-CB 3.38Å; V25-F32 PolarHBondContact O-N 3.34Å; L27-F32 HydrophobicContact CB-CB 3.88Å; L27-F32 HydrophobicContact CB-CD1 4.39Å; L27-F32 HydrophobicContact CB-CD2 4.39Å; L27-F32 HydrophobicContact CB-CG 3.97Å; L27-F32 HydrophobicContact CD2-CD2 4.24Å; L27-F32 HydrophobicContact CD2-CE2 4.31Å; Q30-F32 PolarHBondContact O-N 3.14Å; Q30-F32 VanDerWaalsContact O-N 3.14Å; F32-Q45 PolarHBondContact O-N 3.23Å; F32-W48 HydrophobicContact CB-CH2 3.93Å; F32-W48 HydrophobicContact CB-CZ2 4.24Å; F32-W48 AromaticContact CD2-CH2 3.5Å; F32-W48 HydrophobicContact CD2-CH2 3.5Å; F32-W48 HydrophobicContact CD2-CZ2 4.2Å; F32-W48 AromaticContact CD2-CZ3 3.77Å; F32-W48 HydrophobicContact CD2-CZ3 3.77Å; F32-W48 HydrophobicContact CE2-CH2 4.47Å; F32-W48 HydrophobicContact CE2-CZ3 4.34Å; F32-W48 HydrophobicContact CG-CH2 4.16Å; F32-A49 HydrophobicContact CD2-CB 3.77Å; F32-A49 HydrophobicContact CE2-CB 3.87Å; F32-L53 HydrophobicContact CE1-CD1 4.41Å; F32-L53 HydrophobicContact CE2-CD1 3.4Å; F32-L53 VanDerWaalsContact CE2-CD1 3.4Å; F32-L53 HydrophobicContact CZ-CD1 3.17Å; F32-W58 HydrophobicContact CE2-CH2 4.44Å; F32-W58 HydrophobicContact CZ-CH2 4.25Å; F32-Y170 HydrophobicContact CE1-CD1 4.09Å; F32-Y170 HydrophobicContact CE1-CD2 4.26Å; F32-Y170 AromaticContact CE1-CE1 3.63Å; F32-Y170 HydrophobicContact CE1-CE1 3.63Å; F32-Y170 AromaticContact CE1-CE2 3.83Å; F32-Y170 HydrophobicContact CE1-CE2 3.83Å; F32-Y170 HydrophobicContact CE1-CG 4.4Å; F32-Y170 AromaticContact CE1-CZ 3.5Å; F32-Y170 AromaticContact CZ-CD1 3.6Å; F32-Y170 HydrophobicContact CZ-CD1 3.6Å; F32-Y170 HydrophobicContact CZ-CD2 4.49Å; F32-Y170 AromaticContact CZ-CE1 3.37Å; F32-Y170 HydrophobicContact CZ-CE1 3.37Å; F32-Y170 HydrophobicContact CZ-CE2 4.34Å; F32-Y170 HydrophobicContact CZ-CG 4.18Å; F32-Y170 AromaticContact CZ-CZ 3.79Å; F32-V175 HydrophobicContact CE2-CG1 4.36Å; F32-V175 HydrophobicContact CE2-CG2 4.06Å
33L92.4Very high91Very high2 Ų254.9 Ų54.91%0.0127%0.267CS..EExtended strand (participates in β ladder)trans-143.3141.7-179.8-175.8171.7000110E24 V25 A42 K43 W58 E61 L65E24-L33 WeakPolarHBondContact CA-O 3.31Å; V25-L33 HydrophobicContact CB-CB 3.95Å; V25-L33 HydrophobicContact CG2-CB 4.08Å; V25-L33 HydrophobicContact CG2-CD1 4.37Å; V25-L33 HydrophobicContact CG2-CD2 4.07Å; V25-L33 HydrophobicContact CG2-CG 4.41Å; V25-L33 PolarHBondContact N-O 3.31Å; V25-L33 PolarHBondContact O-N 3.16Å; V25-L33 VanDerWaalsContact O-N 3.15Å; L33-A42 HydrophobicContact CD1-CB 3.88Å; L33-A42 HydrophobicContact CD2-CB 3.57Å; L33-A42 HydrophobicContact CG-CB 3.92Å; L33-K43 CarbonylContact C-O 3.54Å; L33-K43 VanDerWaalsContact CA-O 3.29Å; L33-K43 WeakPolarHBondContact CA-O 3.15Å; L33-W58 HydrophobicContact CB-CZ3 4.12Å; L33-W58 HydrophobicContact CD1-CE3 3.94Å; L33-W58 HydrophobicContact CD1-CZ3 3.69Å; L33-W58 HydrophobicContact CG-CE3 4.24Å; L33-W58 HydrophobicContact CG-CZ3 3.82Å; L33-E61 HydrophobicContact CD1-CB 3.6Å; L33-E61 HydrophobicContact CD1-CG 3.64Å; L33-L65 HydrophobicContact CD2-CD1 3.75Å
34R94.1Very high90.7Very high120 Ų12056.1 Ų56.145%0.45328%0.275SS..EExtended strand (participates in β ladder)trans-129.6137.9169.7-177.4174.9172129.9-10.6110.7A23 E24 K43 Q45A23-R34 WeakPolarHBondContact O-CA 3.32Å; E24-R34 HydrophobicContact CG-CG 4.24Å; E24-R34 IonicContact OE1-CZ 3.32Å; E24-R34 IonicContact OE1-NH1 3.24Å; E24-R34 PolarHBondContact OE1-NH1 3.19Å; R34-K43 PolarHBondContact N-O 2.83Å; R34-K43 PolarHBondContact O-N 2.87Å; R34-Q45 HydrophobicContact CB-CG 3.82Å; R34-Q45 VanDerWaalsContact CB-NE2 3.32Å
35Y93.7Very high90.3Very high13 Ų1356.2 Ų56.25%0.05128%0.275CS..EExtended strand (participates in β ladder)trans-82.1119.3174.5-167.8-90.4000110.7F21 A23 R37 C40 T62 L65 T66F21-Y35 HydrophobicContact CE1-CD1 4.31Å; F21-Y35 AromaticContact CE1-CE1 3.74Å; F21-Y35 HydrophobicContact CE1-CE1 3.74Å; F21-Y35 HydrophobicContact CE1-CE2 4.43Å; F21-Y35 AromaticContact CE1-CZ 3.79Å; F21-Y35 AromaticContact CE2-CD1 3.94Å; F21-Y35 HydrophobicContact CE2-CD1 3.94Å; F21-Y35 HydrophobicContact CE2-CD2 4.17Å; F21-Y35 HydrophobicContact CE2-CE1 4.17Å; F21-Y35 HydrophobicContact CE2-CE2 4.37Å; F21-Y35 AromaticContact CE2-CG 3.94Å; F21-Y35 HydrophobicContact CE2-CG 3.94Å; F21-Y35 AromaticContact CZ-CD1 3.78Å; F21-Y35 HydrophobicContact CZ-CD1 3.78Å; F21-Y35 AromaticContact CZ-CD2 3.91Å; F21-Y35 HydrophobicContact CZ-CD2 3.91Å; F21-Y35 AromaticContact CZ-CE1 3.53Å; F21-Y35 HydrophobicContact CZ-CE1 3.53Å; F21-Y35 AromaticContact CZ-CE2 3.65Å; F21-Y35 HydrophobicContact CZ-CE2 3.65Å; F21-Y35 AromaticContact CZ-CG 3.96Å; F21-Y35 HydrophobicContact CZ-CG 3.96Å; F21-Y35 AromaticContact CZ-CZ 3.44Å; F21-Y35 VanDerWaalsContact CZ-CZ 3.44Å; A23-Y35 PolarHBondContact O-N 3.26Å; Y35-R37 PolarHBondContact O-N 3.27Å; Y35-C40 WeakPolarHBondContact OH-CA 3.32Å; Y35-T62 HydrophobicContact CE2-CG2 4.32Å; Y35-L65 HydrophobicContact CD2-CB 4.18Å; Y35-L65 HydrophobicContact CD2-CD1 4.25Å; Y35-L65 HydrophobicContact CE2-CB 4.49Å; Y35-T66 PolarHBondContact OH-OG1 2.86Å
36D88.7Confident89.6Confident31 Ų3158.2 Ų58.217%0.16630%0.296CS..EExtended strand (participates in β ladder)trans-81.7104.3172.3-176.2-24.6000109.1Q38 K39 C40 R41 K43D36-Q38 PolarHBondContact O-N 3.08Å; D36-Q38 WeakPolarHBondContact OD1-CB 3.27Å; D36-Q38 PolarHBondContact OD1-N 3.13Å; D36-K39 HydrophobicContact CB-CB 4.27Å; D36-K39 PolarHBondContact O-N 2.92Å; D36-K39 PolarHBondContact OD1-N 2.78Å; D36-K39 WeakPolarHBondContact OD2-CD 3.43Å; D36-K39 WeakPolarHBondContact OD2-CG 3.49Å; D36-C40 WeakPolarHBondContact O-CA 2.96Å; D36-C40 PolarHBondContact O-N 2.85Å; D36-R41 WeakPolarHBondContact CB-O 3.02Å; D36-R41 PolarHBondContact N-O 2.92Å; D36-R41 PolarHBondContact O-N 2.87Å; D36-K43 HydrophobicContact CB-CD 4.28Å; D36-K43 WeakPolarHBondContact OD2-CE 3.09Å; D36-K43 IonicContact OD2-NZ 3.92Å; D36-K43 PolarHBondContact OD2-NZ 2.85Å
37R86.3Confident88.9Confident92 Ų9263.8 Ų63.835%0.34732%0.322SS..THydrogen-bonded Turntrans-60.9-29.3179.3-177.2177.3173.2177.81.4113.2Y35Y35-R37 PolarHBondContact O-N 3.27Å
38Q86.1Confident88.3Confident181 Ų18165.4 Ų65.485%0.84633%0.328SS*.THydrogen-bonded Turntrans-79.7-39.3-178.5-64.1179.7-2.600111.5D36D36-Q38 PolarHBondContact O-N 3.08Å; D36-Q38 WeakPolarHBondContact OD1-CB 3.27Å; D36-Q38 PolarHBondContact OD1-N 3.13Å
39K86.4Confident87.9Confident139 Ų13964.1 Ų64.160%0.60432%0.321SS*.THydrogen-bonded Turntrans-91-4.6179.6-60.5-171.2-174.4-170.90113.4D36 R41D36-K39 HydrophobicContact CB-CB 4.27Å; D36-K39 PolarHBondContact O-N 2.92Å; D36-K39 PolarHBondContact OD1-N 2.78Å; D36-K39 WeakPolarHBondContact OD2-CD 3.43Å; D36-K39 WeakPolarHBondContact OD2-CG 3.49Å; K39-R41 PolarHBondContact O-N 2.87Å
40C88.4Confident87.5Confident76 Ų7667.5 Ų67.551%0.51432%0.324SS..THydrogen-bonded Turntrans48.845.6-174.4-60.80000112.2Y35 D36 T62Y35-C40 WeakPolarHBondContact OH-CA 3.32Å; D36-C40 WeakPolarHBondContact O-CA 2.96Å; D36-C40 PolarHBondContact O-N 2.85Å; C40-T62 VanDerWaalsContact O-CG2 3.27Å; C40-T62 WeakPolarHBondContact O-CG2 3.37Å
41R92.4Very high87.1Confident142 Ų14271.4 Ų71.454%0.53635%0.346SS..EExtended strand (participates in β ladder)trans-141.1140.1-176.6-83.2-169.4178.7-150.5-3.4112.4D36 K39 T62D36-R41 WeakPolarHBondContact CB-O 3.02Å; D36-R41 PolarHBondContact N-O 2.92Å; D36-R41 PolarHBondContact O-N 2.87Å; K39-R41 PolarHBondContact O-N 2.87Å; R41-T62 HydrophobicContact CG-CG2 4.31Å
42A92.1Very high86.5Confident5 Ų570.5 Ų70.54%0.04134%0.339CS..EExtended strand (participates in β ladder)trans-65.7135162.500000110.3L33 E61 T62 L65L33-A42 HydrophobicContact CD1-CB 3.88Å; L33-A42 HydrophobicContact CD2-CB 3.57Å; L33-A42 HydrophobicContact CG-CB 3.92Å; A42-E61 HydrophobicContact CB-CB 4.05Å; A42-T62 WeakPolarHBondContact CB-OG1 3.42Å; A42-T62 PolarHBondContact N-OG1 2.83Å; A42-L65 HydrophobicContact CB-CD1 4.4Å
43K90.9Very high86.1Confident76 Ų7671 Ų7133%0.3334%0.342SS..EExtended strand (participates in β ladder)trans-126.8146.2174.7-68-172.4-173.61660111.1L33 R34 D36L33-K43 CarbonylContact C-O 3.54Å; L33-K43 VanDerWaalsContact CA-O 3.29Å; L33-K43 WeakPolarHBondContact CA-O 3.15Å; R34-K43 PolarHBondContact N-O 2.83Å; R34-K43 PolarHBondContact O-N 2.87Å; D36-K43 HydrophobicContact CB-CD 4.28Å; D36-K43 WeakPolarHBondContact OD2-CE 3.09Å; D36-K43 IonicContact OD2-NZ 3.92Å; D36-K43 PolarHBondContact OD2-NZ 2.85Å
44P90.6Very high85.5Confident30 Ų3073.2 Ų73.220%0.19536%0.364CS..EExtended strand (participates in β ladder)trans-57.9151.8169.522.1-30.5000111.6A49 E50 W58P44-A49 HydrophobicContact CB-CB 3.81Å; P44-E50 HydrophobicContact CB-CB 4.04Å; P44-E50 HydrophobicContact CG-CB 3.83Å; P44-E50 HydrophobicContact CG-CG 4.05Å; P44-W58 HydrophobicContact CB-CH2 3.58Å; P44-W58 HydrophobicContact CB-CZ2 3.56Å; P44-W58 HydrophobicContact CB-CZ3 4.34Å; P44-W58 HydrophobicContact CG-CH2 4.36Å; P44-W58 HydrophobicContact CG-CZ2 3.98Å
45Q88.4Confident85.1Confident75 Ų7573.4 Ų73.435%0.3537%0.374SS..SBendtrans-114.9105.9168.6-71.6-69.8-48.500109P31 F32 R34 W48P31-Q45 HydrophobicContact CB-CB 4.26Å; F32-Q45 PolarHBondContact O-N 3.23Å; R34-Q45 HydrophobicContact CB-CG 3.82Å; R34-Q45 VanDerWaalsContact CB-NE2 3.32Å; Q45-W48 PolarHBondContact O-NE1 2.93Å
46G80.6Confident84.7Confident44 Ų4481.3 Ų81.345%0.45441%0.409SS..SBendtrans90.5153.7-178.100000114.1W48 A49 E50G46-W48 PolarHBondContact O-N 2.96Å; G46-A49 PolarHBondContact O-N 2.67Å; G46-A49 VanDerWaalsContact O-N 3.14Å; G46-E50 PolarHBondContact O-N 2.6Å
47Q79.3Confident84.7Confident154 Ų15480.5 Ų80.572%0.7241%0.405SS*.Hα-helixtrans-59.3-34.1-176.7-69.9177.7-15.500112.7A49 E50 D51Q47-A49 PolarHBondContact O-N 3.05Å; Q47-E50 PolarHBondContact O-N 3.05Å; Q47-D51 PolarHBondContact O-N 2.85Å; Q47-D51 VanDerWaalsContact O-N 3.09Å
48W79.4Confident84.8Confident37 Ų3777.1 Ų77.114%0.1439%0.393CS..Hα-helixtrans-61.9-29.8179.567.6-83.6000113.2L27 Q30 P31 F32 Q45 G46 V52 V175L27-W48 HydrophobicContact CB-CH2 4.43Å; L27-W48 HydrophobicContact CD2-CH2 4.46Å; L27-W48 HydrophobicContact CD2-CZ3 4.25Å; Q30-W48 HydrophobicContact CB-CZ2 4.26Å; P31-W48 WeakPolarHBondContact O-CZ2 3.4Å; F32-W48 HydrophobicContact CB-CH2 3.93Å; F32-W48 HydrophobicContact CB-CZ2 4.24Å; F32-W48 AromaticContact CD2-CH2 3.5Å; F32-W48 HydrophobicContact CD2-CH2 3.5Å; F32-W48 HydrophobicContact CD2-CZ2 4.2Å; F32-W48 AromaticContact CD2-CZ3 3.77Å; F32-W48 HydrophobicContact CD2-CZ3 3.77Å; F32-W48 HydrophobicContact CE2-CH2 4.47Å; F32-W48 HydrophobicContact CE2-CZ3 4.34Å; F32-W48 HydrophobicContact CG-CH2 4.16Å; Q45-W48 PolarHBondContact O-NE1 2.93Å; G46-W48 PolarHBondContact O-N 2.96Å; W48-V52 WeakPolarHBondContact O-CG2 3.27Å; W48-V175 HydrophobicContact CE3-CG2 3.7Å; W48-V175 HydrophobicContact CZ3-CG1 4.38Å; W48-V175 HydrophobicContact CZ3-CG2 3.84Å; W48-V175 WeakPolarHBondContact O-CG2 3.32Å
49A81.9Confident85.1Confident0 Ų072 Ų720%037%0.371CS..Hα-helixtrans-85-37.5175.700000112F32 P44 G46 Q47 W58F32-A49 HydrophobicContact CD2-CB 3.77Å; F32-A49 HydrophobicContact CE2-CB 3.87Å; P44-A49 HydrophobicContact CB-CB 3.81Å; G46-A49 PolarHBondContact O-N 2.67Å; G46-A49 VanDerWaalsContact O-N 3.14Å; Q47-A49 PolarHBondContact O-N 3.05Å; A49-W58 HydrophobicContact CB-CH2 4.32Å; A49-W58 WeakPolarHBondContact O-CZ2 3.37Å
50E80.5Confident85.4Confident120 Ų12069.4 Ų69.456%0.56136%0.357SS*.Hα-helixtrans-66.8-45.4-177.1-172.7168.2-163.800112.8P44 G46 Q47 V52P44-E50 HydrophobicContact CB-CB 4.04Å; P44-E50 HydrophobicContact CG-CB 3.83Å; P44-E50 HydrophobicContact CG-CG 4.05Å; G46-E50 PolarHBondContact O-N 2.6Å; Q47-E50 PolarHBondContact O-N 3.05Å; E50-V52 VanDerWaalsContact C-N 3.3Å; E50-V52 PolarHBondContact O-N 3.45Å
51D75.8Confident85.6Confident104 Ų10465.9 Ų65.956%0.55633%0.333SS*.THydrogen-bonded Turntrans-75.2-17.3-172.1-68-18.2000114.4Q47 R178Q47-D51 PolarHBondContact O-N 2.85Å; Q47-D51 VanDerWaalsContact O-N 3.09Å; D51-R178 IonicContact OD2-NH1 2.78Å; D51-R178 PolarHBondContact OD2-NH1 3.26Å
52V78.3Confident85.7Confident40 Ų4060 Ų6024%0.24231%0.313CS..THydrogen-bonded Turntrans-101.9-32.6-171.2-179.30000111.9W48 E50 S173 V175 R178W48-V52 WeakPolarHBondContact O-CG2 3.27Å; E50-V52 VanDerWaalsContact C-N 3.3Å; E50-V52 PolarHBondContact O-N 3.45Å; V52-S173 VanDerWaalsContact CG1-O 3.26Å; V52-S173 WeakPolarHBondContact CG1-O 3.05Å; V52-V175 HydrophobicContact CB-CB 4.25Å; V52-V175 HydrophobicContact CB-CG2 3.98Å; V52-V175 HydrophobicContact CG1-CB 3.9Å; V52-V175 HydrophobicContact CG1-CG2 4.19Å; V52-V175 HydrophobicContact CG2-CG2 4.3Å; V52-R178 VanDerWaalsContact CG2-CD 3.47Å; V52-R178 HydrophobicContact CG2-CG 4.07Å
53L81.3Confident85.8Confident11 Ų1168.6 Ų68.66%0.05835%0.345CS..SBendtrans-108.6122.9-169.7-62.3170.5000111.5F32 T57 W58 Y170 V175F32-L53 HydrophobicContact CE1-CD1 4.41Å; F32-L53 HydrophobicContact CE2-CD1 3.4Å; F32-L53 VanDerWaalsContact CE2-CD1 3.4Å; F32-L53 HydrophobicContact CZ-CD1 3.17Å; L53-T57 HydrophobicContact CB-CG2 4.33Å; L53-T57 HydrophobicContact CD1-CG2 4.35Å; L53-W58 HydrophobicContact CB-CH2 4.42Å; L53-W58 HydrophobicContact CB-CZ2 3.65Å; L53-W58 HydrophobicContact CD1-CH2 3.87Å; L53-W58 HydrophobicContact CD1-CZ2 3.91Å; L53-W58 HydrophobicContact CG-CZ2 4.42Å; L53-W58 PolarHBondContact O-NE1 3.11Å; L53-Y170 HydrophobicContact CD1-CD1 4.04Å; L53-Y170 HydrophobicContact CD1-CE1 3.87Å; L53-Y170 HydrophobicContact CD2-CD1 4.17Å; L53-Y170 HydrophobicContact CD2-CE1 4.31Å; L53-V175 HydrophobicContact CD1-CG2 4.26Å; L53-V175 HydrophobicContact CG-CG2 4.44Å
54G80.8Confident85.9Confident47 Ų4768.1 Ų68.149%0.48535%0.346SS..  trans-75.4164.8-179.900000113.9K56 T57G54-K56 PolarHBondContact O-N 3.02Å; G54-T57 WeakPolarHBondContact O-CB 3.28Å; G54-T57 PolarHBondContact O-N 3.31Å
55N84.4Confident86.2Confident125 Ų12566.7 Ų66.767%0.66834%0.337SS*.Hα-helixtrans-49.7-35-179.8-71-11.3000114.5T57 W58 D59N55-T57 PolarHBondContact O-N 2.98Å; N55-W58 PolarHBondContact O-N 2.94Å; N55-W58 VanDerWaalsContact O-N 3.12Å; N55-D59 VanDerWaalsContact O-CG 3.3Å; N55-D59 PolarHBondContact O-N 2.89Å
56K87Confident86.5Confident179 Ų17966 Ų6678%0.77834%0.337SS*.Hα-helixtrans-57.5-35.4177.4-69.7-175.8178.1179.50113G54 R60G54-K56 PolarHBondContact O-N 3.02Å; K56-R60 PolarHBondContact O-N 2.98Å
57T87.6Confident87.1Confident14 Ų1465.6 Ų65.69%0.08633%0.333CS..Hα-helixtrans-67-49175.7-68.20000110.7L53 G54 N55 D59 R60 E61 R169 Y170L53-T57 HydrophobicContact CB-CG2 4.33Å; L53-T57 HydrophobicContact CD1-CG2 4.35Å; G54-T57 WeakPolarHBondContact O-CB 3.28Å; G54-T57 PolarHBondContact O-N 3.31Å; N55-T57 PolarHBondContact O-N 2.98Å; T57-D59 VanDerWaalsContact C-N 3.33Å; T57-D59 PolarHBondContact O-N 2.03Å; T57-R60 PolarHBondContact O-N 3.39Å; T57-E61 PolarHBondContact O-N 2.8Å; T57-R169 VanDerWaalsContact CG2-NH2 3.27Å; T57-R169 PolarHBondContact OG1-NH1 2.92Å; T57-Y170 HydrophobicContact CG2-CE1 3.91Å
58W89.5Confident87.8Confident21 Ų2160 Ų608%0.0831%0.309CS..Hα-helixtrans-65.2-36.6-179.4-53.2122.1000112.6F32 L33 P44 A49 L53 N55 T62F32-W58 HydrophobicContact CE2-CH2 4.44Å; F32-W58 HydrophobicContact CZ-CH2 4.25Å; L33-W58 HydrophobicContact CB-CZ3 4.12Å; L33-W58 HydrophobicContact CD1-CE3 3.94Å; L33-W58 HydrophobicContact CD1-CZ3 3.69Å; L33-W58 HydrophobicContact CG-CE3 4.24Å; L33-W58 HydrophobicContact CG-CZ3 3.82Å; P44-W58 HydrophobicContact CB-CH2 3.58Å; P44-W58 HydrophobicContact CB-CZ2 3.56Å; P44-W58 HydrophobicContact CB-CZ3 4.34Å; P44-W58 HydrophobicContact CG-CH2 4.36Å; P44-W58 HydrophobicContact CG-CZ2 3.98Å; A49-W58 HydrophobicContact CB-CH2 4.32Å; A49-W58 WeakPolarHBondContact O-CZ2 3.37Å; L53-W58 HydrophobicContact CB-CH2 4.42Å; L53-W58 HydrophobicContact CB-CZ2 3.65Å; L53-W58 HydrophobicContact CD1-CH2 3.87Å; L53-W58 HydrophobicContact CD1-CZ2 3.91Å; L53-W58 HydrophobicContact CG-CZ2 4.42Å; L53-W58 PolarHBondContact O-NE1 3.11Å; N55-W58 PolarHBondContact O-N 2.94Å; N55-W58 VanDerWaalsContact O-N 3.12Å; W58-T62 VanDerWaalsContact O-CB 3.23Å; W58-T62 WeakPolarHBondContact O-CB 3.16Å; W58-T62 PolarHBondContact O-N 3.32Å; W58-T62 PolarHBondContact O-OG1 3.07Å
59D91.7Very high88.6Confident72 Ų7258.3 Ų58.339%0.38530%0.302SS..Hα-helixtrans-66.6-37.6175.6-69.6-30.8000111.9N55 T57 R63N55-D59 VanDerWaalsContact O-CG 3.3Å; N55-D59 PolarHBondContact O-N 2.89Å; T57-D59 VanDerWaalsContact C-N 3.33Å; T57-D59 PolarHBondContact O-N 2.03Å; D59-R63 PolarHBondContact O-N 2.88Å; D59-R63 VanDerWaalsContact O-N 3.16Å
60R91.7Very high89.2Confident85 Ų8563.9 Ų63.932%0.32133%0.326SS..Hα-helixtrans-68.2-52.8175.2-176.5168.269.2-127.82.4111.3K56 T57 T62 R63 D64 E166 R169K56-R60 PolarHBondContact O-N 2.98Å; T57-R60 PolarHBondContact O-N 3.39Å; R60-T62 PolarHBondContact O-N 2.92Å; R60-R63 WeakPolarHBondContact O-CA 3.31Å; R60-R63 WeakPolarHBondContact O-CB 3.44Å; R60-R63 PolarHBondContact O-N 2.66Å; R60-D64 WeakPolarHBondContact CG-OD2 3.5Å; R60-D64 PolarHBondContact O-N 2.97Å; R60-E166 IonicContact CZ-OE1 2.97Å; R60-E166 IonicContact CZ-OE2 3.91Å; R60-E166 IonicContact NE-OE1 2.62Å; R60-E166 PolarHBondContact NE-OE1 2.92Å; R60-E166 VanDerWaalsContact NH2-CD 3.32Å; R60-E166 IonicContact NH2-OE1 3.48Å; R60-E166 PolarHBondContact NH2-OE1 2.81Å; R60-E166 IonicContact NH2-OE2 3.9Å; R60-E166 PolarHBondContact NH2-OE2 3.4Å; R60-R169 VanDerWaalsContact NH2-CD 3.26Å; R60-R169 VanDerWaalsContact NH2-NH2 3.15Å
61E93.3Very high89.9Confident2 Ų260.6 Ų60.61%0.00931%0.313CS..Hα-helixtrans-56.8-39176.8-75.5-71.3178.200111.9Y6 L33 A42 T57 R63 D64 L65 Y170Y6-E61 WeakPolarHBondContact CE1-OE2 3.46Å; Y6-E61 PolarHBondContact OH-OE1 3.18Å; L33-E61 HydrophobicContact CD1-CB 3.6Å; L33-E61 HydrophobicContact CD1-CG 3.64Å; A42-E61 HydrophobicContact CB-CB 4.05Å; T57-E61 PolarHBondContact O-N 2.8Å; E61-R63 VanDerWaalsContact C-N 3.34Å; E61-R63 PolarHBondContact O-N 2.93Å; E61-D64 PolarHBondContact O-N 2.87Å; E61-L65 WeakPolarHBondContact O-CB 3.09Å; E61-L65 WeakPolarHBondContact O-CG 3.2Å; E61-L65 PolarHBondContact O-N 3.26Å; E61-Y170 VanDerWaalsContact CD-OH 3.31Å; E61-Y170 WeakPolarHBondContact CG-OH 3.43Å; E61-Y170 PolarHBondContact OE1-OH 2.84Å
62T94.7Very high90.8Very high20 Ų2055.8 Ų55.812%0.12329%0.287CS..Hα-helixtrans-59.1-45.8174.1-63.70000111.6Y35 C40 R41 A42 W58 R60 T66Y35-T62 HydrophobicContact CE2-CG2 4.32Å; C40-T62 VanDerWaalsContact O-CG2 3.27Å; C40-T62 WeakPolarHBondContact O-CG2 3.37Å; R41-T62 HydrophobicContact CG-CG2 4.31Å; A42-T62 WeakPolarHBondContact CB-OG1 3.42Å; A42-T62 PolarHBondContact N-OG1 2.83Å; W58-T62 VanDerWaalsContact O-CB 3.23Å; W58-T62 WeakPolarHBondContact O-CB 3.16Å; W58-T62 PolarHBondContact O-N 3.32Å; W58-T62 PolarHBondContact O-OG1 3.07Å; R60-T62 PolarHBondContact O-N 2.92Å; T62-T66 WeakPolarHBondContact O-CB 2.79Å; T62-T66 PolarHBondContact O-N 3.09Å; T62-T66 PolarHBondContact O-OG1 3.48Å
63R94.8Very high91.7Very high184 Ų18457.2 Ų57.269%0.69429%0.288SS*.Hα-helixtrans-64-48.7-179.5-171.8-171.7-51.8-155.41.4111.2D59 R60 E61 T66 G67D59-R63 PolarHBondContact O-N 2.88Å; D59-R63 VanDerWaalsContact O-N 3.16Å; R60-R63 WeakPolarHBondContact O-CA 3.31Å; R60-R63 WeakPolarHBondContact O-CB 3.44Å; R60-R63 PolarHBondContact O-N 2.66Å; E61-R63 VanDerWaalsContact C-N 3.34Å; E61-R63 PolarHBondContact O-N 2.93Å; R63-T66 PolarHBondContact O-N 2.88Å; R63-G67 PolarHBondContact O-N 2.86Å
64D93.3Very high92.3Very high66 Ų6660.7 Ų60.735%0.35331%0.305SS..Hα-helixtrans-69.5-45.1-174.1-59.5-19.8000110.7R60 E61 T66 G67 N68R60-D64 WeakPolarHBondContact CG-OD2 3.5Å; R60-D64 PolarHBondContact O-N 2.97Å; E61-D64 PolarHBondContact O-N 2.87Å; D64-T66 VanDerWaalsContact C-N 3.31Å; D64-T66 PolarHBondContact O-N 3.13Å; D64-G67 PolarHBondContact O-N 2.87Å; D64-N68 PolarHBondContact O-N 2.93Å; D64-N68 PolarHBondContact O-ND2 3.25Å; D64-N68 VanDerWaalsContact O-ND2 3.12Å
65L95.4Very high93Very high1 Ų158.7 Ų58.71%0.00528%0.283CS..Hα-helixtrans-61.9-38.3174.3-70.6174.2000112.3Y6 L8 F21 A23 V25 L33 Y35 A42 E61 N68 G69Y6-L65 HydrophobicContact CD1-CD2 3.95Å; Y6-L65 HydrophobicContact CE1-CD2 4.42Å; L8-L65 HydrophobicContact CD1-CD2 3.97Å; L8-L65 HydrophobicContact CD2-CD2 4.33Å; L8-L65 HydrophobicContact CG-CD2 4.32Å; F21-L65 HydrophobicContact CE2-CB 4.26Å; F21-L65 WeakPolarHBondContact CE2-O 3.45Å; F21-L65 HydrophobicContact CZ-CB 4.35Å; F21-L65 VanDerWaalsContact CZ-O 3.23Å; F21-L65 WeakPolarHBondContact CZ-O 3.4Å; A23-L65 HydrophobicContact CB-CD1 4.35Å; A23-L65 HydrophobicContact CB-CD2 4.06Å; V25-L65 HydrophobicContact CG2-CD1 4.47Å; L33-L65 HydrophobicContact CD2-CD1 3.75Å; Y35-L65 HydrophobicContact CD2-CB 4.18Å; Y35-L65 HydrophobicContact CD2-CD1 4.25Å; Y35-L65 HydrophobicContact CE2-CB 4.49Å; A42-L65 HydrophobicContact CB-CD1 4.4Å; E61-L65 WeakPolarHBondContact O-CB 3.09Å; E61-L65 WeakPolarHBondContact O-CG 3.2Å; E61-L65 PolarHBondContact O-N 3.26Å; L65-N68 PolarHBondContact O-N 3.23Å; L65-G69 PolarHBondContact O-N 2.81Å
66T95.4Very high93.5Very high59 Ų5952.8 Ų52.836%0.36225%0.252SS..Hα-helixtrans-66.5-40.2177.7-590000111.5Y35 T62 R63 D64 K70Y35-T66 PolarHBondContact OH-OG1 2.86Å; T62-T66 WeakPolarHBondContact O-CB 2.79Å; T62-T66 PolarHBondContact O-N 3.09Å; T62-T66 PolarHBondContact O-OG1 3.48Å; R63-T66 PolarHBondContact O-N 2.88Å; D64-T66 VanDerWaalsContact C-N 3.31Å; D64-T66 PolarHBondContact O-N 3.13Å; T66-K70 PolarHBondContact O-N 3.17Å; T66-K70 VanDerWaalsContact O-N 3.09Å
67G94Very high93.8Very high36 Ų3647.3 Ų47.337%0.37124%0.24SC..Hα-helixtrans-60.2-52.4172.600000111.7R63 D64 G69 K70 D71R63-G67 PolarHBondContact O-N 2.86Å; D64-G67 PolarHBondContact O-N 2.87Å; G67-G69 PolarHBondContact O-N 2.81Å; G67-K70 WeakPolarHBondContact O-CB 3.49Å; G67-K70 PolarHBondContact O-N 2.87Å; G67-K70 VanDerWaalsContact O-N 3.08Å; G67-D71 PolarHBondContact O-N 3.24Å
68N94.2Very high94Very high38 Ų3849.3 Ų49.320%0.20325%0.248CC..Hα-helixtrans-62-40.8-180-64.5-27.4000112.3L8 D64 L65 K70 D71 L72 R93L8-N68 HydrophobicContact CD2-CB 3.44Å; L8-N68 VanDerWaalsContact CD2-CB 3.44Å; D64-N68 PolarHBondContact O-N 2.93Å; D64-N68 PolarHBondContact O-ND2 3.25Å; D64-N68 VanDerWaalsContact O-ND2 3.12Å; L65-N68 PolarHBondContact O-N 3.23Å; N68-K70 VanDerWaalsContact C-N 3.29Å; N68-K70 PolarHBondContact O-N 3.38Å; N68-D71 PolarHBondContact O-N 3.22Å; N68-L72 WeakPolarHBondContact O-CB 2.78Å; N68-L72 PolarHBondContact O-N 2.91Å; N68-R93 PolarHBondContact ND2-NH2 2.95Å; N68-R93 VanDerWaalsContact ND2-NH2 3.14Å
69G95.6Very high94Very high0 Ų048.5 Ų48.50%025%0.245CC..Hα-helixtrans-64.5-31.3175.400000113L65 G67 R73L65-G69 PolarHBondContact O-N 2.81Å; G67-G69 PolarHBondContact O-N 2.81Å; G69-R73 VanDerWaalsContact O-CG 3.31Å; G69-R73 WeakPolarHBondContact O-CG 3.38Å; G69-R73 PolarHBondContact O-N 2.78Å
70K94.8Very high93.4Very high118 Ų11853.8 Ų53.851%0.51327%0.265SS..Hα-helixtrans-69.5-47.3172.2-174.6-175.5175.1-172.30111.1T66 G67 N68 L72 R73 M74T66-K70 PolarHBondContact O-N 3.17Å; T66-K70 VanDerWaalsContact O-N 3.09Å; G67-K70 WeakPolarHBondContact O-CB 3.49Å; G67-K70 PolarHBondContact O-N 2.87Å; G67-K70 VanDerWaalsContact O-N 3.08Å; N68-K70 VanDerWaalsContact C-N 3.29Å; N68-K70 PolarHBondContact O-N 3.38Å; K70-L72 VanDerWaalsContact C-N 3.32Å; K70-L72 PolarHBondContact O-N 2.62Å; K70-R73 PolarHBondContact O-N 2.88Å; K70-M74 HydrophobicContact CG-CE 4.47Å; K70-M74 WeakPolarHBondContact O-CG 3.49Å; K70-M74 PolarHBondContact O-N 3.34Å; K70-M74 VanDerWaalsContact O-N 3.11Å
71D93.9Very high92.5Very high51 Ų5152.1 Ų52.127%0.27326%0.262SS..Hα-helixtrans-57.2-47176.9-77.48.3000110.9G67 N68 R73 M74 T75 K151G67-D71 PolarHBondContact O-N 3.24Å; N68-D71 PolarHBondContact O-N 3.22Å; D71-R73 VanDerWaalsContact C-N 3.33Å; D71-R73 PolarHBondContact O-N 2.88Å; D71-M74 HydrophobicContact CB-CE 4.48Å; D71-M74 WeakPolarHBondContact O-CB 3.4Å; D71-M74 PolarHBondContact O-N 3.14Å; D71-M74 VanDerWaalsContact O-N 3.12Å; D71-M74 WeakPolarHBondContact OD1-CE 3.34Å; D71-T75 PolarHBondContact O-N 2.93Å; D71-T75 PolarHBondContact O-OG1 3.14Å; D71-T75 VanDerWaalsContact O-OG1 3.14Å; D71-K151 IonicContact OD2-NZ 3.31Å; D71-K151 PolarHBondContact OD2-NZ 3.35Å
72L96.3Very high91.4Very high3 Ų353.8 Ų53.82%0.01627%0.27CS..Hα-helixtrans-64.4-35.3-179.7-164.363.3000112.9L8 V10 N68 K70 T75 L76 L89 E91 F109L8-L72 HydrophobicContact CB-CD2 3.98Å; V10-L72 HydrophobicContact CG1-CB 4.11Å; V10-L72 HydrophobicContact CG1-CD2 4.07Å; V10-L72 HydrophobicContact CG1-CG 4.16Å; V10-L72 HydrophobicContact CG2-CB 4.41Å; V10-L72 HydrophobicContact CG2-CD2 4.06Å; V10-L72 HydrophobicContact CG2-CG 3.78Å; N68-L72 WeakPolarHBondContact O-CB 2.78Å; N68-L72 PolarHBondContact O-N 2.91Å; K70-L72 VanDerWaalsContact C-N 3.32Å; K70-L72 PolarHBondContact O-N 2.62Å; L72-T75 WeakPolarHBondContact O-CB 3.4Å; L72-T75 PolarHBondContact O-N 2.88Å; L72-L76 PolarHBondContact O-N 3.1Å; L72-L89 HydrophobicContact CD1-CD2 3.61Å; L72-L89 HydrophobicContact CD1-CG 3.84Å; L72-L89 HydrophobicContact CG-CD2 4.08Å; L72-L89 HydrophobicContact CG-CG 4.26Å; L72-E91 HydrophobicContact CD1-CB 3.75Å; L72-E91 HydrophobicContact CD2-CB 3.9Å; L72-E91 HydrophobicContact CG-CB 4.47Å; L72-F109 HydrophobicContact CD1-CD1 4.41Å; L72-F109 HydrophobicContact CD1-CE1 4.2Å
73R95.8Very high90.6Very high70 Ų7060 Ų6026%0.26430%0.295SS..Hα-helixtrans-65.4-39.6173.1-77.1-171.6-59.3131.7-1.4112.5V10 V17 Q18 S19 G69 K70 D71 T75 L76 A77V10-R73 HydrophobicContact CB-CG 3.91Å; V10-R73 HydrophobicContact CG1-CB 4.47Å; V10-R73 HydrophobicContact CG1-CG 3.45Å; V10-R73 VanDerWaalsContact CG1-CG 3.45Å; V17-R73 HydrophobicContact CG1-CB 3.91Å; V17-R73 HydrophobicContact CG1-CG 3.83Å; Q18-R73 WeakPolarHBondContact O-CD 3.35Å; S19-R73 PolarHBondContact O-NH1 3.46Å; G69-R73 VanDerWaalsContact O-CG 3.31Å; G69-R73 WeakPolarHBondContact O-CG 3.38Å; G69-R73 PolarHBondContact O-N 2.78Å; K70-R73 PolarHBondContact O-N 2.88Å; D71-R73 VanDerWaalsContact C-N 3.33Å; D71-R73 PolarHBondContact O-N 2.88Å; R73-T75 VanDerWaalsContact C-N 3.32Å; R73-L76 PolarHBondContact O-N 3.45Å; R73-A77 PolarHBondContact O-N 2.88Å
74M94.7Very high90.2Very high83 Ų8359.9 Ų59.941%0.40930%0.303SS..Hα-helixtrans-64.8-40.1175.6-65.3-175.1-64.200110.7K70 D71 A77 H78 F144K70-M74 HydrophobicContact CG-CE 4.47Å; K70-M74 WeakPolarHBondContact O-CG 3.49Å; K70-M74 PolarHBondContact O-N 3.34Å; K70-M74 VanDerWaalsContact O-N 3.11Å; D71-M74 HydrophobicContact CB-CE 4.48Å; D71-M74 WeakPolarHBondContact O-CB 3.4Å; D71-M74 PolarHBondContact O-N 3.14Å; D71-M74 VanDerWaalsContact O-N 3.12Å; D71-M74 WeakPolarHBondContact OD1-CE 3.34Å; M74-A77 PolarHBondContact O-N 3.2Å; M74-H78 PolarHBondContact O-N 3.09Å; M74-F144 HydrophobicContact CB-CZ 3.99Å
75T95.4Very high90Very high6 Ų657.8 Ų57.84%0.03730%0.296CS..Hα-helixtrans-60.5-47.8173-53.50000111.6D71 L72 R73 A77 H78 I79 L89 V141 F144D71-T75 PolarHBondContact O-N 2.93Å; D71-T75 PolarHBondContact O-OG1 3.14Å; D71-T75 VanDerWaalsContact O-OG1 3.14Å; L72-T75 WeakPolarHBondContact O-CB 3.4Å; L72-T75 PolarHBondContact O-N 2.88Å; R73-T75 VanDerWaalsContact C-N 3.32Å; T75-A77 VanDerWaalsContact C-N 3.3Å; T75-A77 PolarHBondContact O-N 3.38Å; T75-H78 PolarHBondContact O-N 3.4Å; T75-H78 VanDerWaalsContact O-N 3.08Å; T75-I79 PolarHBondContact O-N 3.22Å; T75-L89 HydrophobicContact CG2-CD2 3.79Å; T75-V141 HydrophobicContact CG2-CG1 3.86Å; T75-V141 HydrophobicContact CG2-CG2 4.03Å; T75-F144 HydrophobicContact CG2-CD1 4.27Å; T75-F144 WeakPolarHBondContact OG1-CE1 3.35Å
76L95.6Very high90Very high0 Ų062.3 Ų62.30%032%0.32CS..Hα-helixtrans-59.3-42.6177.2177.257.6000111.1V10 V17 L72 R73 H78 I79 Q82 L89 Y111V10-L76 HydrophobicContact CB-CD2 4.37Å; V10-L76 HydrophobicContact CG2-CB 3.91Å; V10-L76 HydrophobicContact CG2-CD2 3.76Å; V10-L76 HydrophobicContact CG2-CG 4.46Å; V17-L76 HydrophobicContact CG1-CD2 4.31Å; V17-L76 HydrophobicContact CG2-CB 4.41Å; V17-L76 HydrophobicContact CG2-CD2 4.22Å; V17-L76 HydrophobicContact CG2-CG 4.02Å; L72-L76 PolarHBondContact O-N 3.1Å; R73-L76 PolarHBondContact O-N 3.45Å; L76-H78 PolarHBondContact O-N 2.87Å; L76-H78 VanDerWaalsContact O-N 3.16Å; L76-I79 HydrophobicContact CD1-CD1 4.42Å; L76-I79 PolarHBondContact O-N 3.11Å; L76-Q82 PolarHBondContact O-NE2 3.39Å; L76-L89 HydrophobicContact CB-CB 4.11Å; L76-L89 HydrophobicContact CB-CD2 3.9Å; L76-L89 HydrophobicContact CD1-CB 3.98Å; L76-L89 HydrophobicContact CD2-CB 4.46Å; L76-L89 HydrophobicContact CG-CB 4.39Å; L76-Y111 HydrophobicContact CD1-CE2 3.83Å
77A93.2Very high90Very high64 Ų6460.2 Ų60.253%0.52931%0.306SS..Hα-helixtrans-60-25.4177.800000113.7V17 R73 M74 T75V17-A77 HydrophobicContact CG2-CB 3.96Å; R73-A77 PolarHBondContact O-N 2.88Å; M74-A77 PolarHBondContact O-N 3.2Å; T75-A77 VanDerWaalsContact C-N 3.3Å; T75-A77 PolarHBondContact O-N 3.38Å
78H91.1Very high90.1Very high57 Ų5759.9 Ų59.926%0.26430%0.298SS..Hα-helixtrans-84-18178.3-165.186000113.6M74 T75 L76 K80 N140 F144M74-H78 PolarHBondContact O-N 3.09Å; T75-H78 PolarHBondContact O-N 3.4Å; T75-H78 VanDerWaalsContact O-N 3.08Å; L76-H78 PolarHBondContact O-N 2.87Å; L76-H78 VanDerWaalsContact O-N 3.16Å; H78-K80 PolarHBondContact O-N 2.79Å; H78-N140 PolarHBondContact CD2-ND2 2.93Å; H78-N140 PolarHBondContact CD2-OD1 3.32Å; H78-N140 PolarHBondContact O-OD1 2.93Å; H78-F144 HydrophobicContact CB-CB 4.49Å; H78-F144 HydrophobicContact CB-CD2 3.7Å; H78-F144 HydrophobicContact CB-CE2 4.09Å; H78-F144 HydrophobicContact CB-CG 4.04Å; H78-F144 AromaticContact CG-CD2 3.47Å; H78-F144 VanDerWaalsContact CG-CD2 3.47Å; H78-F144 AromaticContact CG-CG 3.91Å; H78-F144 AromaticContact ND1-CD2 3.55Å
79I90.4Very high90.3Very high3 Ų358 Ų582%0.01529%0.288CS..  trans-71.5116.5177.9-64.4174.6000109.3T75 L76 D81 Q82 L89 Y111 L137 V141T75-I79 PolarHBondContact O-N 3.22Å; L76-I79 HydrophobicContact CD1-CD1 4.42Å; L76-I79 PolarHBondContact O-N 3.11Å; I79-D81 HydrophobicContact CG2-CB 4.22Å; I79-Q82 PolarHBondContact O-NE2 3.49Å; I79-L89 HydrophobicContact CD1-CD1 4.14Å; I79-L89 HydrophobicContact CD1-CD2 4.18Å; I79-Y111 HydrophobicContact CB-CE2 4.47Å; I79-Y111 HydrophobicContact CD1-CD2 3.79Å; I79-Y111 HydrophobicContact CD1-CE2 3.94Å; I79-Y111 HydrophobicContact CG2-CD2 4.45Å; I79-Y111 HydrophobicContact CG2-CE2 3.83Å; I79-L137 HydrophobicContact CG2-CD2 3.68Å; I79-V141 HydrophobicContact CD1-CG2 4.06Å; I79-V141 HydrophobicContact CG1-CG2 4.04Å
80K77.6Confident90.4Very high183 Ų18360.3 Ų60.380%0.79630%0.299SS*.THydrogen-bonded Turntrans-84.1-4.5-176.2-58.8-173.1-179.6-177.90114.8H78 Q82H78-K80 PolarHBondContact O-N 2.79Å; K80-Q82 PolarHBondContact O-N 3.2Å
81D73.4Confident90.6Very high51 Ų5155.3 Ų55.327%0.27328%0.277SS..THydrogen-bonded Turntrans-84.312.7178.9-166.145.2000112.9I79 K83 R133 L137I79-D81 HydrophobicContact CG2-CB 4.22Å; D81-K83 PolarHBondContact O-N 3.11Å; D81-R133 IonicContact OD2-CZ 2.97Å; D81-R133 IonicContact OD2-NE 2.7Å; D81-R133 PolarHBondContact OD2-NE 2.99Å; D81-R133 IonicContact OD2-NH2 3.79Å; D81-R133 PolarHBondContact OD2-NH2 3.34Å; D81-L137 HydrophobicContact CB-CD2 4.26Å
82Q70.3Confident90.8Very high37 Ų3753 Ų5317%0.17327%0.265CS..  trans-74.298177-68.8178.77100109.5S12 L76 I79 K80S12-Q82 PolarHBondContact OG-OE1 3.3Å; L76-Q82 PolarHBondContact O-NE2 3.39Å; I79-Q82 PolarHBondContact O-NE2 3.49Å; K80-Q82 PolarHBondContact O-N 3.2Å
83K77.6Confident90.8Very high149 Ų14953.8 Ų53.865%0.64827%0.268SS*.  trans-83.4-176.7171.7-66.2178.8-178.2174.70109D81 H87D81-K83 PolarHBondContact O-N 3.11Å; K83-H87 PolarHBondContact N-NE2 3.19Å; K83-H87 PolarHBondContact O-NE2 2.87Å; K83-H87 VanDerWaalsContact O-NE2 3.14Å
84E85.9Confident90.9Very high183 Ų18351.3 Ų51.386%0.85526%0.26SS*.SBendtrans-59.6142.5170.6-66.1-179.8172.600110.3
85G90Very high91Very high21 Ų2147.3 Ų47.322%0.21624%0.241CC..SBendtrans106.3-166.2179.800000115.1W13 D14W13-G85 WeakPolarHBondContact CA-O 3.41Å; D14-G85 PolarHBondContact N-O 2.92Å; D14-G85 PolarHBondContact OD1-N 3.31Å
86L94.2Very high91.1Very high96 Ų9649.7 Ų49.750%0.50325%0.251SS..EExtended strand (participates in β ladder)trans-86128.4-178.4-175.673000110.4L11 S12 W13L11-L86 HydrophobicContact CB-CD1 4.38Å; S12-L86 WeakPolarHBondContact O-CA 3.3Å; W13-L86 HydrophobicContact CE3-CB 3.73Å; W13-L86 HydrophobicContact CE3-CD1 3.94Å; W13-L86 HydrophobicContact CE3-CG 4.43Å; W13-L86 HydrophobicContact CZ3-CB 3.75Å
87H95.4Very high91.1Very high16 Ų1650.5 Ų50.57%0.07426%0.255CS..EExtended strand (participates in β ladder)trans-121.8154.3169.9-66.7-71.3000111.6L11 S12 K83 Y111 D112L11-H87 VanDerWaalsContact CA-O 3.32Å; L11-H87 WeakPolarHBondContact CA-O 3.46Å; S12-H87 PolarHBondContact N-O 2.99Å; S12-H87 PolarHBondContact O-N 3.42Å; K83-H87 PolarHBondContact N-NE2 3.19Å; K83-H87 PolarHBondContact O-NE2 2.87Å; K83-H87 VanDerWaalsContact O-NE2 3.14Å; H87-Y111 HydrophobicContact CB-CE2 4.46Å; H87-Y111 AromaticContact ND1-CZ 3.93Å; H87-Y111 PolarHBondContact ND1-OH 3.48Å; H87-D112 VanDerWaalsContact CA-OD1 3.25Å; H87-D112 WeakPolarHBondContact CA-OD1 3.11Å; H87-D112 IonicContact CE1-OD2 3.78Å; H87-D112 IonicContact CG-OD2 2.79Å; H87-D112 IonicContact ND1-OD1 3.62Å; H87-D112 IonicContact ND1-OD2 3.74Å; H87-D112 PolarHBondContact ND1-OD2 3.28Å
88S96.9Very high91Very high28 Ų2849.4 Ų49.420%0.19624%0.239CC..EExtended strand (participates in β ladder)trans-135.5140.2179.963.40000111.9V10 Y111 D112V10-S88 WeakPolarHBondContact O-CA 3.44Å; S88-Y111 WeakPolarHBondContact O-CA 3.47Å; S88-Y111 WeakPolarHBondContact O-CD2 3.46Å; S88-D112 PolarHBondContact N-OD1 3.37Å; S88-D112 PolarHBondContact O-N 3.16Å; S88-D112 WeakPolarHBondContact OG-CA 3.47Å
89L97.9Very high90.9Very high0 Ų054.7 Ų54.70%026%0.264CS..EExtended strand (participates in β ladder)trans-122.5127.2167.1176.468.4000108.3T9 V10 L72 T75 L76 I79 F109 Y110 F116T9-L89 WeakPolarHBondContact CA-O 3.39Å; V10-L89 HydrophobicContact CG2-CB 3.83Å; V10-L89 HydrophobicContact CG2-CG 4.48Å; V10-L89 WeakPolarHBondContact CG2-O 3.26Å; V10-L89 PolarHBondContact N-O 3.45Å; V10-L89 PolarHBondContact O-N 3.33Å; L72-L89 HydrophobicContact CD1-CD2 3.61Å; L72-L89 HydrophobicContact CD1-CG 3.84Å; L72-L89 HydrophobicContact CG-CD2 4.08Å; L72-L89 HydrophobicContact CG-CG 4.26Å; T75-L89 HydrophobicContact CG2-CD2 3.79Å; L76-L89 HydrophobicContact CB-CB 4.11Å; L76-L89 HydrophobicContact CB-CD2 3.9Å; L76-L89 HydrophobicContact CD1-CB 3.98Å; L76-L89 HydrophobicContact CD2-CB 4.46Å; L76-L89 HydrophobicContact CG-CB 4.39Å; I79-L89 HydrophobicContact CD1-CD1 4.14Å; I79-L89 HydrophobicContact CD1-CD2 4.18Å; L89-F109 HydrophobicContact CD1-CD1 4.47Å; L89-Y110 WeakPolarHBondContact CA-O 3.34Å; L89-F116 HydrophobicContact CD1-CE1 3.82Å; L89-F116 HydrophobicContact CD1-CZ 4Å
90Q98.4Very high90.9Very high47 Ų4760.1 Ų60.122%0.2229%0.293CS..EExtended strand (participates in β ladder)trans-121135.4179.1177.9176.981.800110.2N7 L8 T9 I92 F109 Y110N7-Q90 PolarHBondContact ND2-NE2 2.77Å; N7-Q90 WeakPolarHBondContact OD1-CG 3.18Å; N7-Q90 PolarHBondContact OD1-NE2 3.11Å; L8-Q90 CarbonylContact O-C 3.58Å; L8-Q90 WeakPolarHBondContact O-CA 3.5Å; L8-Q90 WeakPolarHBondContact O-CG 3.39Å; T9-Q90 HydrophobicContact CG2-CB 4.46Å; T9-Q90 PolarHBondContact OG1-NE2 3.18Å; Q90-I92 HydrophobicContact CG-CD1 4.39Å; Q90-I92 HydrophobicContact CG-CG1 3.93Å; Q90-F109 CarbonylContact O-C 3.51Å; Q90-F109 VanDerWaalsContact O-CA 3.3Å; Q90-F109 WeakPolarHBondContact O-CA 3.31Å; Q90-Y110 PolarHBondContact N-O 3.34Å; Q90-Y110 PolarHBondContact O-N 3.41Å
91E98.1Very high91.5Very high14 Ų1457.6 Ų57.67%0.06529%0.288CS..EExtended strand (participates in β ladder)trans-115.6123172.3-178.3-166.7-170.600108.6L8 L72 R93 Q107 H108 F109L8-E91 PolarHBondContact N-O 3.05Å; L8-E91 PolarHBondContact O-N 3.28Å; L72-E91 HydrophobicContact CD1-CB 3.75Å; L72-E91 HydrophobicContact CD2-CB 3.9Å; L72-E91 HydrophobicContact CG-CB 4.47Å; E91-R93 HydrophobicContact CG-CG 4.21Å; E91-R93 WeakPolarHBondContact OE1-CD 3.19Å; E91-R93 IonicContact OE1-NE 3.01Å; E91-Q107 HydrophobicContact CG-CG 4.41Å; E91-Q107 PolarHBondContact OE1-NE2 2.93Å; E91-H108 CarbonylContact C-O 3.59Å; E91-H108 WeakPolarHBondContact CA-O 3.44Å; E91-F109 HydrophobicContact CB-CD1 4.28Å; E91-F109 HydrophobicContact CB-CE1 4.28Å; E91-F109 HydrophobicContact CG-CD1 4.39Å; E91-F109 HydrophobicContact CG-CE1 4.07Å
92I98.3Very high92.5Very high3 Ų357.3 Ų57.32%0.01529%0.29CS..EExtended strand (participates in β ladder)trans-115.1113.6176.1-52.9-171.2000108.8R5 Y6 Q90 Q107 H108 Y110R5-I92 HydrophobicContact CG-CG2 3.96Å; Y6-I92 VanDerWaalsContact O-CA 3.31Å; Y6-I92 WeakPolarHBondContact O-CA 3.44Å; Q90-I92 HydrophobicContact CG-CD1 4.39Å; Q90-I92 HydrophobicContact CG-CG1 3.93Å; I92-Q107 CarbonylContact O-C 3.57Å; I92-Q107 WeakPolarHBondContact O-CA 3.44Å; I92-H108 HydrophobicContact CB-CB 4.37Å; I92-H108 PolarHBondContact N-O 3.21Å; I92-H108 PolarHBondContact O-N 3Å; I92-Y110 HydrophobicContact CB-CE2 4.47Å; I92-Y110 HydrophobicContact CD1-CD2 4.08Å; I92-Y110 HydrophobicContact CD1-CE2 3.65Å; I92-Y110 HydrophobicContact CG1-CD2 4.21Å; I92-Y110 HydrophobicContact CG1-CE2 4.01Å
93R97.1Very high93.7Very high19 Ų1957.4 Ų57.47%0.07229%0.293CS..EExtended strand (participates in β ladder)trans-106.5131173.1-64.7-179.1-67.1119.88.6109.1R5 Y6 N68 E91 S106 Q107 M159R5-R93 CarbonylContact C-O 3.54Å; R5-R93 WeakPolarHBondContact CA-O 3.36Å; Y6-R93 PolarHBondContact N-O 3.33Å; Y6-R93 PolarHBondContact O-N 3.14Å; N68-R93 PolarHBondContact ND2-NH2 2.95Å; N68-R93 VanDerWaalsContact ND2-NH2 3.14Å; E91-R93 HydrophobicContact CG-CG 4.21Å; E91-R93 WeakPolarHBondContact OE1-CD 3.19Å; E91-R93 IonicContact OE1-NE 3.01Å; R93-S106 WeakPolarHBondContact CA-O 3.47Å; R93-Q107 HydrophobicContact CG-CB 4.3Å; R93-Q107 HydrophobicContact CG-CG 4.38Å; R93-M159 WeakPolarHBondContact CD-SD 3.33Å; R93-M159 HydrophobicContact CG-SD 4.22Å
94V97.8Very high94.5Very high17 Ų1757.4 Ų57.410%0.10329%0.289CS..EExtended strand (participates in β ladder)trans-133.9138.6178.662.40000110.2L4 R5 E96 S105 S106L4-V94 WeakPolarHBondContact O-CA 3.13Å; R5-V94 HydrophobicContact CB-CB 4.48Å; R5-V94 HydrophobicContact CB-CG2 4.27Å; R5-V94 HydrophobicContact CG-CB 4.48Å; V94-E96 HydrophobicContact CG2-CG 4.26Å; V94-S105 CarbonylContact O-C 3.52Å; V94-S105 WeakPolarHBondContact O-CA 3.47Å; V94-S105 WeakPolarHBondContact O-CB 3.27Å; V94-S106 WeakPolarHBondContact CG1-OG 3.47Å; V94-S106 PolarHBondContact N-O 3.03Å; V94-S106 PolarHBondContact O-N 3.46Å
95C97.3Very high95Very high0 Ų049 Ų490%025%0.25CS..EExtended strand (participates in β ladder)trans-130.8148.716656.20000110.5S3 L4 R104 C163 L164S3-C95 CarbonylContact C-O 3.52Å; S3-C95 VanDerWaalsContact CA-O 3.26Å; S3-C95 WeakPolarHBondContact CA-O 3.38Å; L4-C95 PolarHBondContact N-O 3.39Å; L4-C95 PolarHBondContact O-N 3.42Å; C95-R104 CarbonylContact C-O 3.58Å; C95-R104 VanDerWaalsContact CA-O 3.24Å; C95-R104 WeakPolarHBondContact CA-O 3.22Å; C95-C163 HydrophobicContact CB-CB 3.75Å; C95-C163 WeakPolarHBondContact CB-SG 3.45Å; C95-C163 WeakPolarHBondContact SG-CB 3.29Å; C95-C163 PolarHBondContact SG-O 3.05Å; C95-C163 CovalentContact SG-SG 2.04Å; C95-C163 PolarHBondContact SG-SG 2.89Å; C95-L164 HydrophobicContact CB-CD2 3.86Å; C95-L164 HydrophobicContact CB-CG 4.17Å
96E96.7Very high95.3Very high56 Ų5649.2 Ų49.226%0.26225%0.249SC..EExtended strand (participates in β ladder)trans-134.5145.6-174.1-53.1-176.3156.800110.5P1 H2 V94 H98 T103 R104P1-E96 HydrophobicContact CB-CB 4.44Å; H2-E96 CarbonylContact O-C 3.57Å; H2-E96 WeakPolarHBondContact O-CA 3.35Å; V94-E96 HydrophobicContact CG2-CG 4.26Å; E96-H98 IonicContact OE2-NE2 3.58Å; E96-T103 VanDerWaalsContact O-CA 3.29Å; E96-T103 WeakPolarHBondContact O-CA 3.37Å; E96-R104 HydrophobicContact CB-CB 4.26Å; E96-R104 PolarHBondContact N-O 2.86Å; E96-R104 PolarHBondContact O-N 3.49Å
97I95.3Very high95.5Very high17 Ų1744.9 Ų44.99%0.08723%0.226CC..EExtended strand (participates in β ladder)trans-122.2119170-61.9169.9000107.5P1 H2 L164 L167 R168 L171P1-I97 CarbonylContact C-O 3.54Å; P1-I97 WeakPolarHBondContact CA-O 3.04Å; P1-I97 WeakPolarHBondContact CB-O 3.37Å; H2-I97 PolarHBondContact N-O 3.41Å; H2-I97 PolarHBondContact O-N 2.9Å; I97-L164 HydrophobicContact CD1-CD2 4.46Å; I97-L164 HydrophobicContact CG1-CD2 3.96Å; I97-L167 HydrophobicContact CB-CD2 4.44Å; I97-L167 HydrophobicContact CD1-CD2 3.86Å; I97-L167 HydrophobicContact CD1-CG 4Å; I97-L167 HydrophobicContact CG1-CD2 3.84Å; I97-R168 HydrophobicContact CD1-CG 3.66Å; I97-L171 HydrophobicContact CD1-CD1 4.46Å
98H92.3Very high95.6Very high41 Ų4146 Ų4619%0.1923%0.232CC..  trans-87169.1179.7-68.3-95.1000112.1E96 D100 N101 S102 R104E96-H98 IonicContact OE2-NE2 3.58Å; H98-D100 WeakPolarHBondContact CB-OD1 3.45Å; H98-D100 PolarHBondContact O-N 2.88Å; H98-N101 WeakPolarHBondContact O-CA 3.5Å; H98-N101 PolarHBondContact O-N 2.94Å; H98-S102 WeakPolarHBondContact CB-OG 3.33Å; H98-S102 PolarHBondContact CD2-O 2.92Å; H98-S102 PolarHBondContact N-O 3.14Å; H98-R104 VanDerWaalsContact NE2-CD 3.3Å; H98-R104 WeakPolarHBondContact NE2-CD 3.27Å; H98-R104 PolarHBondContact NE2-NE 3.12Å
99E87.3Confident95.7Very high167 Ų16744.9 Ų44.978%0.7822%0.223SC*.THydrogen-bonded Turntrans-63.4-29.8-179.3-67.2174.6-171.800112.6N101E99-N101 PolarHBondContact O-N 3.33Å
100D92.1Very high95.7Very high117 Ų11747.5 Ų47.563%0.62623%0.233SC*.THydrogen-bonded Turntrans-81.99.1173.966.4-10.2000113.3H98 S102H98-D100 WeakPolarHBondContact CB-OD1 3.45Å; H98-D100 PolarHBondContact O-N 2.88Å; D100-S102 PolarHBondContact O-N 3.25Å; D100-S102 VanDerWaalsContact OD1-CB 3.22Å; D100-S102 WeakPolarHBondContact OD1-CB 3.45Å; D100-S102 PolarHBondContact OD1-N 3.3Å; D100-S102 PolarHBondContact OD1-OG 3.31Å; D100-S102 PolarHBondContact OD2-OG 2.85Å
101N90Very high95.6Very high130 Ų13045.4 Ų45.470%0.69522%0.223SC*.SBendtrans61.69.4-171.6-60.7-59.9000115.2H98 E99H98-N101 WeakPolarHBondContact O-CA 3.5Å; H98-N101 PolarHBondContact O-N 2.94Å; E99-N101 PolarHBondContact O-N 3.33Å
102S94.4Very high95.5Very high45 Ų4547.3 Ų47.332%0.31523%0.234SC..  trans-64.8146.3168.467.10000109.7H98 D100H98-S102 WeakPolarHBondContact CB-OG 3.33Å; H98-S102 PolarHBondContact CD2-O 2.92Å; H98-S102 PolarHBondContact N-O 3.14Å; D100-S102 PolarHBondContact O-N 3.25Å; D100-S102 VanDerWaalsContact OD1-CB 3.22Å; D100-S102 WeakPolarHBondContact OD1-CB 3.45Å; D100-S102 PolarHBondContact OD1-N 3.3Å; D100-S102 PolarHBondContact OD1-OG 3.31Å; D100-S102 PolarHBondContact OD2-OG 2.85Å
103T95.4Very high95.4Very high39 Ų3950 Ų5024%0.23926%0.263CS..EExtended strand (participates in β ladder)trans-104.6157.5177.158.80000109.5E96 E122 L164E96-T103 VanDerWaalsContact O-CA 3.29Å; E96-T103 WeakPolarHBondContact O-CA 3.37Å; T103-E122 WeakPolarHBondContact CB-OE1 3.36Å; T103-E122 PolarHBondContact OG1-OE1 2.91Å; T103-L164 HydrophobicContact CG2-CD1 3.85Å; T103-L164 HydrophobicContact CG2-CD2 3.86Å
104R94.6Very high95.4Very high150 Ų15054.6 Ų54.657%0.56629%0.285SS*.EExtended strand (participates in β ladder)trans-136.9144.5161.1-65.4-174.8-177.7-162-3108.4C95 E96 H98 E122C95-R104 CarbonylContact C-O 3.58Å; C95-R104 VanDerWaalsContact CA-O 3.24Å; C95-R104 WeakPolarHBondContact CA-O 3.22Å; E96-R104 HydrophobicContact CB-CB 4.26Å; E96-R104 PolarHBondContact N-O 2.86Å; E96-R104 PolarHBondContact O-N 3.49Å; H98-R104 VanDerWaalsContact NE2-CD 3.3Å; H98-R104 WeakPolarHBondContact NE2-CD 3.27Å; H98-R104 PolarHBondContact NE2-NE 3.12Å; R104-E122 WeakPolarHBondContact CA-OE1 3.47Å; R104-E122 PolarHBondContact N-OE1 2.74Å; R104-E122 VanDerWaalsContact N-OE1 3.13Å
105S95.9Very high95.5Very high5 Ų556.8 Ų56.84%0.03530%0.296CS..EExtended strand (participates in β ladder)trans-153.8149.4166.261.60000113.3V94 L121 H160V94-S105 CarbonylContact O-C 3.52Å; V94-S105 WeakPolarHBondContact O-CA 3.47Å; V94-S105 WeakPolarHBondContact O-CB 3.27Å; S105-L121 PolarHBondContact O-N 3.15Å; S105-L121 WeakPolarHBondContact OG-CB 3.32Å; S105-H160 PolarHBondContact OG-CD2 2.65Å; S105-H160 PolarHBondContact OG-NE2 3.3Å
106S97Very high95.5Very high27 Ų2756.9 Ų56.919%0.18930%0.296CS..EExtended strand (participates in β ladder)trans-155.7158.2-175.950.80000112R93 V94 H108 Q119R93-S106 WeakPolarHBondContact CA-O 3.47Å; V94-S106 WeakPolarHBondContact CG1-OG 3.47Å; V94-S106 PolarHBondContact N-O 3.03Å; V94-S106 PolarHBondContact O-N 3.46Å; S106-H108 PolarHBondContact OG-CE1 3.11Å; S106-Q119 CarbonylContact C-O 3.56Å; S106-Q119 WeakPolarHBondContact CA-O 3.02Å; S106-Q119 VanDerWaalsContact CB-O 3.3Å; S106-Q119 WeakPolarHBondContact CB-O 3.32Å
107Q96.9Very high95.6Very high4 Ų454.2 Ų54.22%0.01928%0.284CS..EExtended strand (participates in β ladder)trans-123.7139.4175.3164.2167.118.700109.2E91 I92 R93 F109 S118 Q119 L121 M159E91-Q107 HydrophobicContact CG-CG 4.41Å; E91-Q107 PolarHBondContact OE1-NE2 2.93Å; I92-Q107 CarbonylContact O-C 3.57Å; I92-Q107 WeakPolarHBondContact O-CA 3.44Å; R93-Q107 HydrophobicContact CG-CB 4.3Å; R93-Q107 HydrophobicContact CG-CG 4.38Å; Q107-F109 HydrophobicContact CG-CD2 4.21Å; Q107-F109 HydrophobicContact CG-CE2 3.72Å; Q107-F109 HydrophobicContact CG-CZ 4.22Å; Q107-S118 CarbonylContact O-C 3.57Å; Q107-S118 WeakPolarHBondContact O-CA 3.23Å; Q107-Q119 PolarHBondContact N-O 2.91Å; Q107-Q119 PolarHBondContact O-N 3.24Å; Q107-L121 HydrophobicContact CB-CD1 4.41Å; Q107-L121 HydrophobicContact CB-CD2 4.38Å; Q107-L121 HydrophobicContact CB-CG 4.44Å; Q107-M159 PolarHBondContact OE1-SD 2.92Å
108H98.3Very high95.7Very high41 Ų4154.3 Ų54.319%0.1929%0.286CS..EExtended strand (participates in β ladder)trans-134.4137.9-179.3-51.783.2000110E91 I92 S106 Y110 L115E91-H108 CarbonylContact C-O 3.59Å; E91-H108 WeakPolarHBondContact CA-O 3.44Å; I92-H108 HydrophobicContact CB-CB 4.37Å; I92-H108 PolarHBondContact N-O 3.21Å; I92-H108 PolarHBondContact O-N 3Å; S106-H108 PolarHBondContact OG-CE1 3.11Å; H108-Y110 HydrophobicContact CB-CD2 4.36Å; H108-Y110 HydrophobicContact CB-CE2 3.56Å; H108-L115 HydrophobicContact CB-CD1 4.09Å
109F98.2Very high95.9Very high4 Ų452.6 Ų52.62%0.01828%0.278CS..EExtended strand (participates in β ladder)trans-115.6130175.2-63.6-90.7000110.9L72 L89 Q90 E91 Q107 F116 L117 W126 L145L72-F109 HydrophobicContact CD1-CD1 4.41Å; L72-F109 HydrophobicContact CD1-CE1 4.2Å; L89-F109 HydrophobicContact CD1-CD1 4.47Å; Q90-F109 CarbonylContact O-C 3.51Å; Q90-F109 VanDerWaalsContact O-CA 3.3Å; Q90-F109 WeakPolarHBondContact O-CA 3.31Å; E91-F109 HydrophobicContact CB-CD1 4.28Å; E91-F109 HydrophobicContact CB-CE1 4.28Å; E91-F109 HydrophobicContact CG-CD1 4.39Å; E91-F109 HydrophobicContact CG-CE1 4.07Å; Q107-F109 HydrophobicContact CG-CD2 4.21Å; Q107-F109 HydrophobicContact CG-CE2 3.72Å; Q107-F109 HydrophobicContact CG-CZ 4.22Å; F109-F116 HydrophobicContact CB-CD1 4.28Å; F109-F116 HydrophobicContact CB-CE1 3.52Å; F109-F116 HydrophobicContact CB-CE2 4.15Å; F109-F116 HydrophobicContact CB-CZ 3.45Å; F109-F116 VanDerWaalsContact CB-CZ 3.45Å; F109-F116 HydrophobicContact CG-CZ 4.27Å; F109-F116 WeakPolarHBondContact O-CD1 3.19Å; F109-F116 PolarHBondContact O-N 2.82Å; F109-F116 VanDerWaalsContact O-N 3.1Å; F109-L117 HydrophobicContact CB-CB 4.28Å; F109-L117 HydrophobicContact CD2-CB 4.25Å; F109-L117 HydrophobicContact CD2-CD2 3.99Å; F109-L117 HydrophobicContact CD2-CG 4.17Å; F109-L117 HydrophobicContact CE2-CD2 4.28Å; F109-L117 PolarHBondContact N-O 2.83Å; F109-W126 HydrophobicContact CE2-CH2 4.49Å; F109-W126 HydrophobicContact CE2-CZ3 4.24Å; F109-L145 HydrophobicContact CE2-CD1 4.48Å; F109-L145 HydrophobicContact CZ-CD1 4.17Å
110Y98.4Very high96.3Very high55 Ų5547.4 Ų47.422%0.21626%0.255CS..EExtended strand (participates in β ladder)trans-119.5134.3176.9-59.6-105.4000109.2L89 Q90 I92 H108 E114 L115L89-Y110 WeakPolarHBondContact CA-O 3.34Å; Q90-Y110 PolarHBondContact N-O 3.34Å; Q90-Y110 PolarHBondContact O-N 3.41Å; I92-Y110 HydrophobicContact CB-CE2 4.47Å; I92-Y110 HydrophobicContact CD1-CD2 4.08Å; I92-Y110 HydrophobicContact CD1-CE2 3.65Å; I92-Y110 HydrophobicContact CG1-CD2 4.21Å; I92-Y110 HydrophobicContact CG1-CE2 4.01Å; H108-Y110 HydrophobicContact CB-CD2 4.36Å; H108-Y110 HydrophobicContact CB-CE2 3.56Å; Y110-E114 CarbonylContact C-O 3.51Å; Y110-E114 VanDerWaalsContact CA-O 3.22Å; Y110-E114 WeakPolarHBondContact CA-O 3.41Å; Y110-L115 HydrophobicContact CD1-CB 3.87Å; Y110-L115 HydrophobicContact CD1-CD1 4.47Å; Y110-L115 HydrophobicContact CE1-CB 3.61Å; Y110-L115 HydrophobicContact CE1-CD1 4.05Å; Y110-L115 HydrophobicContact CE1-CG 4.37Å; Y110-L115 HydrophobicContact CE2-CD1 4.09Å
111Y97.4Very high96.4Very high2 Ų242 Ų421%0.00823%0.227CC..EExtended strand (participates in β ladder)trans-118.7123.5174.6-173-102.1000108.3L76 I79 H87 S88 G113 E114 L137L76-Y111 HydrophobicContact CD1-CE2 3.83Å; I79-Y111 HydrophobicContact CB-CE2 4.47Å; I79-Y111 HydrophobicContact CD1-CD2 3.79Å; I79-Y111 HydrophobicContact CD1-CE2 3.94Å; I79-Y111 HydrophobicContact CG2-CD2 4.45Å; I79-Y111 HydrophobicContact CG2-CE2 3.83Å; H87-Y111 HydrophobicContact CB-CE2 4.46Å; H87-Y111 AromaticContact ND1-CZ 3.93Å; H87-Y111 PolarHBondContact ND1-OH 3.48Å; S88-Y111 WeakPolarHBondContact O-CA 3.47Å; S88-Y111 WeakPolarHBondContact O-CD2 3.46Å; Y111-G113 PolarHBondContact O-N 2.85Å; Y111-G113 VanDerWaalsContact O-N 3.14Å; Y111-E114 PolarHBondContact N-O 2.99Å; Y111-E114 PolarHBondContact O-N 2.86Å; Y111-L137 HydrophobicContact CD1-CD1 3.9Å; Y111-L137 HydrophobicContact CD1-CD2 4.33Å; Y111-L137 HydrophobicContact CG-CD1 4.17Å
112D96.1Very high96.2Very high55 Ų5539 Ų3929%0.29421%0.209SC..THydrogen-bonded Turntrans50.436.4-174-61.8-21000113.9H87 S88 E114 R133H87-D112 VanDerWaalsContact CA-OD1 3.25Å; H87-D112 WeakPolarHBondContact CA-OD1 3.11Å; H87-D112 IonicContact CE1-OD2 3.78Å; H87-D112 IonicContact CG-OD2 2.79Å; H87-D112 IonicContact ND1-OD1 3.62Å; H87-D112 IonicContact ND1-OD2 3.74Å; H87-D112 PolarHBondContact ND1-OD2 3.28Å; S88-D112 PolarHBondContact N-OD1 3.37Å; S88-D112 PolarHBondContact O-N 3.16Å; S88-D112 WeakPolarHBondContact OG-CA 3.47Å; D112-E114 VanDerWaalsContact C-N 3.32Å; D112-E114 PolarHBondContact O-N 3.3Å; D112-R133 IonicContact OD2-NH2 3.67Å
113G95.9Very high96.1Very high60 Ų6040.2 Ų40.262%0.61921%0.214SC*.THydrogen-bonded Turntrans84.9-7.2179.800000115.2Y111Y111-G113 PolarHBondContact O-N 2.85Å; Y111-G113 VanDerWaalsContact O-N 3.14Å
114E97.3Very high95.7Very high114 Ų11440.4 Ų40.453%0.53321%0.212SC..EExtended strand (participates in β ladder)trans-97.5129179.3-63.5-170.9160.400111.6Y110 Y111 D112 F116 R133Y110-E114 CarbonylContact C-O 3.51Å; Y110-E114 VanDerWaalsContact CA-O 3.22Å; Y110-E114 WeakPolarHBondContact CA-O 3.41Å; Y111-E114 PolarHBondContact N-O 2.99Å; Y111-E114 PolarHBondContact O-N 2.86Å; D112-E114 VanDerWaalsContact C-N 3.32Å; D112-E114 PolarHBondContact O-N 3.3Å; E114-F116 PolarHBondContact O-N 2.87Å; E114-R133 IonicContact OE2-NH1 3.68Å
115L98.4Very high95.7Very high63 Ų6339.4 Ų39.433%0.3321%0.214SC..EExtended strand (participates in β ladder)trans-62.1130171.9178.867.8000109H108 Y110 P129H108-L115 HydrophobicContact CB-CD1 4.09Å; Y110-L115 HydrophobicContact CD1-CB 3.87Å; Y110-L115 HydrophobicContact CD1-CD1 4.47Å; Y110-L115 HydrophobicContact CE1-CB 3.61Å; Y110-L115 HydrophobicContact CE1-CD1 4.05Å; Y110-L115 HydrophobicContact CE1-CG 4.37Å; Y110-L115 HydrophobicContact CE2-CD1 4.09Å; L115-P129 HydrophobicContact CD2-CG 4.29Å; L115-P129 HydrophobicContact CG-CG 4.15Å
116F97.7Very high95.7Very high2 Ų242 Ų421%0.00922%0.223CC..EExtended strand (participates in β ladder)trans-128.7-18.4174.572.9-90.3000114L89 F109 E114 P129 A134 L137 A138 V141L89-F116 HydrophobicContact CD1-CE1 3.82Å; L89-F116 HydrophobicContact CD1-CZ 4Å; F109-F116 HydrophobicContact CB-CD1 4.28Å; F109-F116 HydrophobicContact CB-CE1 3.52Å; F109-F116 HydrophobicContact CB-CE2 4.15Å; F109-F116 HydrophobicContact CB-CZ 3.45Å; F109-F116 VanDerWaalsContact CB-CZ 3.45Å; F109-F116 HydrophobicContact CG-CZ 4.27Å; F109-F116 WeakPolarHBondContact O-CD1 3.19Å; F109-F116 PolarHBondContact O-N 2.82Å; F109-F116 VanDerWaalsContact O-N 3.1Å; E114-F116 PolarHBondContact O-N 2.87Å; F116-P129 VanDerWaalsContact O-CD 3.29Å; F116-P129 WeakPolarHBondContact O-CD 3.49Å; F116-A134 HydrophobicContact CB-CB 3.98Å; F116-L137 HydrophobicContact CB-CB 4.23Å; F116-L137 HydrophobicContact CB-CD1 4.25Å; F116-L137 HydrophobicContact CD1-CD1 4.5Å; F116-L137 HydrophobicContact CD2-CB 3.56Å; F116-L137 HydrophobicContact CE2-CB 4.04Å; F116-L137 HydrophobicContact CG-CB 3.9Å; F116-L137 HydrophobicContact CG-CD1 4.26Å; F116-A138 HydrophobicContact CD2-CB 4.31Å; F116-V141 HydrophobicContact CE2-CB 4.14Å; F116-V141 HydrophobicContact CE2-CG2 3.85Å; F116-V141 HydrophobicContact CZ-CG2 3.95Å
117L98Very high95.7Very high0 Ų044.7 Ų44.70%024%0.239CC..EExtended strand (participates in β ladder)trans-153.2135-178.6-177.863.8000110.5F109 W126 V128 A138 V141 R142F109-L117 HydrophobicContact CB-CB 4.28Å; F109-L117 HydrophobicContact CD2-CB 4.25Å; F109-L117 HydrophobicContact CD2-CD2 3.99Å; F109-L117 HydrophobicContact CD2-CG 4.17Å; F109-L117 HydrophobicContact CE2-CD2 4.28Å; F109-L117 PolarHBondContact N-O 2.83Å; L117-W126 HydrophobicContact CD1-CD2 4.36Å; L117-W126 HydrophobicContact CD1-CE3 3.42Å; L117-W126 VanDerWaalsContact CD1-CE3 3.42Å; L117-W126 HydrophobicContact CD1-CZ3 3.95Å; L117-W126 HydrophobicContact CD2-CE3 3.88Å; L117-W126 HydrophobicContact CD2-CH2 4.41Å; L117-W126 HydrophobicContact CD2-CZ3 3.5Å; L117-W126 VanDerWaalsContact CD2-CZ3 3.5Å; L117-W126 HydrophobicContact CG-CE3 3.62Å; L117-W126 HydrophobicContact CG-CZ3 3.61Å; L117-V128 HydrophobicContact CD1-CG2 3.8Å; L117-A138 HydrophobicContact CB-CB 4.33Å; L117-A138 HydrophobicContact CD1-CB 3.99Å; L117-V141 HydrophobicContact CD2-CG1 4.17Å; L117-R142 HydrophobicContact CD1-CG 4.24Å; L117-R142 HydrophobicContact CD2-CG 3.83Å
118S97.9Very high95.8Very high19 Ų1946.2 Ų46.213%0.13325%0.248CC..EExtended strand (participates in β ladder)trans-136.4155.5169.159.90000111.4Q107 W126 T127Q107-S118 CarbonylContact O-C 3.57Å; Q107-S118 WeakPolarHBondContact O-CA 3.23Å; S118-W126 CarbonylContact O-C 3.57Å; S118-W126 WeakPolarHBondContact O-CA 3.34Å; S118-T127 PolarHBondContact N-O 2.94Å; S118-T127 PolarHBondContact O-N 3.24Å
119Q96.8Very high95.7Very high5 Ų546.2 Ų46.22%0.02325%0.252CS..EExtended strand (participates in β ladder)trans-133132.2175.9-163.8-174.412.900109.6S106 Q107 E125 W126 Y156S106-Q119 CarbonylContact C-O 3.56Å; S106-Q119 WeakPolarHBondContact CA-O 3.02Å; S106-Q119 VanDerWaalsContact CB-O 3.3Å; S106-Q119 WeakPolarHBondContact CB-O 3.32Å; Q107-Q119 PolarHBondContact N-O 2.91Å; Q107-Q119 PolarHBondContact O-N 3.24Å; Q119-E125 WeakPolarHBondContact CA-O 3.23Å; Q119-W126 HydrophobicContact CB-CD2 4.01Å; Q119-W126 HydrophobicContact CB-CE3 3.68Å; Q119-W126 HydrophobicContact CB-CH2 4.12Å; Q119-W126 HydrophobicContact CB-CZ2 4.37Å; Q119-W126 HydrophobicContact CB-CZ3 3.75Å; Q119-W126 VanDerWaalsContact CD-CE2 3.47Å; Q119-W126 HydrophobicContact CG-CD2 3.83Å; Q119-W126 HydrophobicContact CG-CE3 4.05Å; Q119-W126 HydrophobicContact CG-CG 4.28Å; Q119-W126 HydrophobicContact CG-CH2 4.33Å; Q119-W126 HydrophobicContact CG-CZ2 4.08Å; Q119-W126 HydrophobicContact CG-CZ3 4.3Å; Q119-W126 VanDerWaalsContact OE1-CZ2 3.3Å; Q119-Y156 VanDerWaalsContact OE1-CE1 3.32Å
120N95.9Very high95.6Very high58 Ų5854.4 Ų54.431%0.3129%0.29SS..EExtended strand (participates in β ladder)trans-79.5118.3161.8-177.3-35.8000107.8E122 T123 E124 E125N120-E122 VanDerWaalsContact C-N 3.27Å; N120-E122 PolarHBondContact O-N 2.88Å; N120-E122 WeakPolarHBondContact OD1-CA 3.36Å; N120-E122 WeakPolarHBondContact OD1-CB 3.46Å; N120-E122 PolarHBondContact OD1-N 3.29Å; N120-T123 WeakPolarHBondContact CB-OG1 3.5Å; N120-T123 VanDerWaalsContact CG-OG1 3.32Å; N120-T123 PolarHBondContact OD1-N 2.84Å; N120-T123 VanDerWaalsContact OD1-N 3.1Å; N120-E124 CarbonylContact O-C 3.57Å; N120-E124 WeakPolarHBondContact O-CA 3.19Å; N120-E124 PolarHBondContact O-N 2.83Å; N120-E125 PolarHBondContact N-O 2.67Å; N120-E125 PolarHBondContact O-N 2.78Å
121L93.1Very high95.5Very high4 Ų454.1 Ų54.12%0.02130%0.296CS..THydrogen-bonded Turntrans-80.4-10.1-175.1-66.3174.9000112.8S105 Q107 Y156 M159 H160S105-L121 PolarHBondContact O-N 3.15Å; S105-L121 WeakPolarHBondContact OG-CB 3.32Å; Q107-L121 HydrophobicContact CB-CD1 4.41Å; Q107-L121 HydrophobicContact CB-CD2 4.38Å; Q107-L121 HydrophobicContact CB-CG 4.44Å; L121-Y156 HydrophobicContact CD2-CD1 4.06Å; L121-M159 HydrophobicContact CD1-CG 4.32Å; L121-M159 HydrophobicContact CD1-SD 4.06Å; L121-M159 HydrophobicContact CD2-SD 4.29Å; L121-H160 HydrophobicContact CB-CB 4.22Å
122E87.4Confident95.3Very high68 Ų6858.6 Ų58.632%0.31833%0.327SS..THydrogen-bonded Turntrans-88.2-45.8174.2-67.5176.916600111.9T103 R104 N120 H160T103-E122 WeakPolarHBondContact CB-OE1 3.36Å; T103-E122 PolarHBondContact OG1-OE1 2.91Å; R104-E122 WeakPolarHBondContact CA-OE1 3.47Å; R104-E122 PolarHBondContact N-OE1 2.74Å; R104-E122 VanDerWaalsContact N-OE1 3.13Å; N120-E122 VanDerWaalsContact C-N 3.27Å; N120-E122 PolarHBondContact O-N 2.88Å; N120-E122 WeakPolarHBondContact OD1-CA 3.36Å; N120-E122 WeakPolarHBondContact OD1-CB 3.46Å; N120-E122 PolarHBondContact OD1-N 3.29Å; E122-H160 VanDerWaalsContact CG-NE2 3.34Å; E122-H160 WeakPolarHBondContact CG-NE2 3.42Å; E122-H160 IonicContact OE1-NE2 3.29Å
123T90.7Very high95.1Very high70 Ų7060.3 Ų60.343%0.42933%0.33SS..THydrogen-bonded Turntrans-89.3-9.5179.266.90000113N120 E125N120-T123 WeakPolarHBondContact CB-OG1 3.5Å; N120-T123 VanDerWaalsContact CG-OG1 3.32Å; N120-T123 PolarHBondContact OD1-N 2.84Å; N120-T123 VanDerWaalsContact OD1-N 3.1Å; T123-E125 PolarHBondContact O-N 3.36Å; T123-E125 VanDerWaalsContact O-N 3.17Å; T123-E125 WeakPolarHBondContact OG1-CB 3.22Å; T123-E125 WeakPolarHBondContact OG1-CG 3.44Å; T123-E125 PolarHBondContact OG1-N 2.87Å; T123-E125 PolarHBondContact OG1-OE2 2.87Å
124E88.8Confident95.1Very high42 Ų4257.8 Ų57.820%0.19630%0.303CS..  trans61.19.5-170.6-50.5178.4163.300114.3N120 K153 H157N120-E124 CarbonylContact O-C 3.57Å; N120-E124 WeakPolarHBondContact O-CA 3.19Å; N120-E124 PolarHBondContact O-N 2.83Å; E124-K153 WeakPolarHBondContact OE2-CD 3.46Å; E124-K153 VanDerWaalsContact OE2-CE 3.22Å; E124-K153 WeakPolarHBondContact OE2-CE 3.31Å; E124-K153 IonicContact OE2-NZ 3.88Å; E124-K153 PolarHBondContact OE2-NZ 2.97Å; E124-H157 IonicContact OE1-CE1 3.49Å; E124-H157 PolarHBondContact OE1-CE1 3.43Å; E124-H157 IonicContact OE1-ND1 2.74Å; E124-H157 IonicContact OE1-NE2 2.77Å; E124-H157 PolarHBondContact OE1-NE2 2.91Å
125E93.7Very high95Very high129 Ų12956.9 Ų56.960%0.60330%0.299SS*.  trans-78131.7-174.9-68.1176.8154.700111.6Q119 N120 T123Q119-E125 WeakPolarHBondContact CA-O 3.23Å; N120-E125 PolarHBondContact N-O 2.67Å; N120-E125 PolarHBondContact O-N 2.78Å; T123-E125 PolarHBondContact O-N 3.36Å; T123-E125 VanDerWaalsContact O-N 3.17Å; T123-E125 WeakPolarHBondContact OG1-CB 3.22Å; T123-E125 WeakPolarHBondContact OG1-CG 3.44Å; T123-E125 PolarHBondContact OG1-N 2.87Å; T123-E125 PolarHBondContact OG1-OE2 2.87Å
126W96Very high94.8Very high59 Ų5958.2 Ų58.222%0.22331%0.31CS..EExtended strand (participates in β ladder)trans-92.9135.8174.6-67.186000110.4F109 L117 S118 Q119 R142 L145 Y156F109-W126 HydrophobicContact CE2-CH2 4.49Å; F109-W126 HydrophobicContact CE2-CZ3 4.24Å; L117-W126 HydrophobicContact CD1-CD2 4.36Å; L117-W126 HydrophobicContact CD1-CE3 3.42Å; L117-W126 VanDerWaalsContact CD1-CE3 3.42Å; L117-W126 HydrophobicContact CD1-CZ3 3.95Å; L117-W126 HydrophobicContact CD2-CE3 3.88Å; L117-W126 HydrophobicContact CD2-CH2 4.41Å; L117-W126 HydrophobicContact CD2-CZ3 3.5Å; L117-W126 VanDerWaalsContact CD2-CZ3 3.5Å; L117-W126 HydrophobicContact CG-CE3 3.62Å; L117-W126 HydrophobicContact CG-CZ3 3.61Å; S118-W126 CarbonylContact O-C 3.57Å; S118-W126 WeakPolarHBondContact O-CA 3.34Å; Q119-W126 HydrophobicContact CB-CD2 4.01Å; Q119-W126 HydrophobicContact CB-CE3 3.68Å; Q119-W126 HydrophobicContact CB-CH2 4.12Å; Q119-W126 HydrophobicContact CB-CZ2 4.37Å; Q119-W126 HydrophobicContact CB-CZ3 3.75Å; Q119-W126 VanDerWaalsContact CD-CE2 3.47Å; Q119-W126 HydrophobicContact CG-CD2 3.83Å; Q119-W126 HydrophobicContact CG-CE3 4.05Å; Q119-W126 HydrophobicContact CG-CG 4.28Å; Q119-W126 HydrophobicContact CG-CH2 4.33Å; Q119-W126 HydrophobicContact CG-CZ2 4.08Å; Q119-W126 HydrophobicContact CG-CZ3 4.3Å; Q119-W126 VanDerWaalsContact OE1-CZ2 3.3Å; W126-R142 HydrophobicContact CE3-CG 4.49Å; W126-L145 HydrophobicContact CH2-CD1 4.13Å; W126-Y156 HydrophobicContact CH2-CE1 4.33Å; W126-Y156 HydrophobicContact CZ2-CE1 4.18Å; W126-Y156 HydrophobicContact CZ2-CE2 4.44Å; W126-Y156 AromaticContact CZ2-CZ 3.86Å
127T97.8Very high94.7Very high85 Ų8558.8 Ų58.852%0.52131%0.313SS..EExtended strand (participates in β ladder)trans-121137.6173.9-49.50000109.5S118S118-T127 PolarHBondContact N-O 2.94Å; S118-T127 PolarHBondContact O-N 3.24Å
128V98Very high94.7Very high36 Ų3658.9 Ų58.922%0.21831%0.314CS..  trans-128.9129.3-178.7-178.40000108.1L117 Q135 A138L117-V128 HydrophobicContact CD1-CG2 3.8Å; V128-Q135 HydrophobicContact CG1-CG 3.99Å; V128-A138 HydrophobicContact CB-CB 4.46Å; V128-A138 HydrophobicContact CG1-CB 3.78Å; V128-A138 HydrophobicContact CG2-CB 3.76Å
129P97.1Very high94.5Very high41 Ų4163.6 Ų63.627%0.26634%0.335SS..  trans-58.2149.4173.9-27.238000112.7L115 F116 S131 A134L115-P129 HydrophobicContact CD2-CG 4.29Å; L115-P129 HydrophobicContact CG-CG 4.15Å; F116-P129 VanDerWaalsContact O-CD 3.29Å; F116-P129 WeakPolarHBondContact O-CD 3.49Å; P129-S131 PolarHBondContact O-N 3.19Å; P129-A134 HydrophobicContact CB-CB 4.16Å; P129-A134 HydrophobicContact CG-CB 4.5Å
130Q94.9Very high94.3Very high176 Ų17665 Ų6582%0.82234%0.343SS*.SBendtrans-77.263.7-179.8-63.2-61-40.400111.6
131S95.9Very high94.2Very high48 Ų4862.2 Ų62.234%0.33633%0.328SS..  trans-135.7136.2177.1162.80000109.4P129 R133 A134 Q135P129-S131 PolarHBondContact O-N 3.19Å; S131-R133 VanDerWaalsContact C-N 3.28Å; S131-R133 PolarHBondContact O-N 3.43Å; S131-R133 PolarHBondContact OG-N 3.16Å; S131-A134 PolarHBondContact O-N 2.96Å; S131-A134 PolarHBondContact OG-N 3.48Å; S131-Q135 WeakPolarHBondContact O-CB 3.31Å; S131-Q135 VanDerWaalsContact O-CG 3.3Å; S131-Q135 WeakPolarHBondContact O-CG 3.35Å; S131-Q135 PolarHBondContact O-N 3.22Å
132S93.5Very high94.3Very high96 Ų9667.2 Ų67.267%0.67135%0.347SS*.Hα-helixtrans-60-38.9178.754.60000112.2T136S132-T136 PolarHBondContact O-N 2.87Å; S132-T136 VanDerWaalsContact O-N 3.12Å; S132-T136 PolarHBondContact O-OG1 3.15Å
133R93.3Very high94.5Very high91 Ų9167.5 Ų67.534%0.34335%0.351SS..Hα-helixtrans-63.6-49174.4-172.9-179.2-171.5-162.70.4110.9D81 D112 E114 S131 Q135 T136 L137D81-R133 IonicContact OD2-CZ 2.97Å; D81-R133 IonicContact OD2-NE 2.7Å; D81-R133 PolarHBondContact OD2-NE 2.99Å; D81-R133 IonicContact OD2-NH2 3.79Å; D81-R133 PolarHBondContact OD2-NH2 3.34Å; D112-R133 IonicContact OD2-NH2 3.67Å; E114-R133 IonicContact OE2-NH1 3.68Å; S131-R133 VanDerWaalsContact C-N 3.28Å; S131-R133 PolarHBondContact O-N 3.43Å; S131-R133 PolarHBondContact OG-N 3.16Å; R133-Q135 VanDerWaalsContact C-N 3.35Å; R133-Q135 PolarHBondContact O-N 2.55Å; R133-T136 PolarHBondContact O-N 2.65Å; R133-L137 HydrophobicContact CG-CD1 4.14Å; R133-L137 WeakPolarHBondContact O-CG 3.22Å; R133-L137 PolarHBondContact O-N 2.75Å
134A95.3Very high94.6Very high7 Ų765.1 Ų65.16%0.05833%0.334CS..Hα-helixtrans-61.2-42.8179.900000112F116 P129 S131 T136 L137 A138F116-A134 HydrophobicContact CB-CB 3.98Å; P129-A134 HydrophobicContact CB-CB 4.16Å; P129-A134 HydrophobicContact CG-CB 4.5Å; S131-A134 PolarHBondContact O-N 2.96Å; S131-A134 PolarHBondContact OG-N 3.48Å; A134-T136 VanDerWaalsContact C-N 3.35Å; A134-T136 PolarHBondContact O-N 2.91Å; A134-L137 PolarHBondContact O-N 3.37Å; A134-A138 WeakPolarHBondContact O-CB 3.19Å; A134-A138 PolarHBondContact O-N 3.38Å
135Q95.8Very high94.8Very high95 Ų9563.7 Ų63.744%0.44433%0.328SS..Hα-helixtrans-61.2-41.5176.6-72.3172.75.600112.5V128 S131 R133 M139V128-Q135 HydrophobicContact CG1-CG 3.99Å; S131-Q135 WeakPolarHBondContact O-CB 3.31Å; S131-Q135 VanDerWaalsContact O-CG 3.3Å; S131-Q135 WeakPolarHBondContact O-CG 3.35Å; S131-Q135 PolarHBondContact O-N 3.22Å; R133-Q135 VanDerWaalsContact C-N 3.35Å; R133-Q135 PolarHBondContact O-N 2.55Å; Q135-M139 WeakPolarHBondContact O-CB 3.19Å; Q135-M139 PolarHBondContact O-N 3.28Å
136T94.3Very high94.6Very high92 Ų9264.6 Ų64.656%0.56433%0.33SS*.Hα-helixtrans-65.5-48178.1-57.10000111.3S132 R133 A134 M139 N140S132-T136 PolarHBondContact O-N 2.87Å; S132-T136 VanDerWaalsContact O-N 3.12Å; S132-T136 PolarHBondContact O-OG1 3.15Å; R133-T136 PolarHBondContact O-N 2.65Å; A134-T136 VanDerWaalsContact C-N 3.35Å; A134-T136 PolarHBondContact O-N 2.91Å; T136-M139 PolarHBondContact O-N 2.98Å; T136-N140 WeakPolarHBondContact O-CB 3.42Å; T136-N140 PolarHBondContact O-N 3.16Å
137L95.8Very high94.3Very high13 Ų1367.7 Ų67.77%0.06835%0.347CS..Hα-helixtrans-61.4-46.2176.4-70.7171000111.5I79 D81 Y111 F116 R133 A134 M139 N140 V141I79-L137 HydrophobicContact CG2-CD2 3.68Å; D81-L137 HydrophobicContact CB-CD2 4.26Å; Y111-L137 HydrophobicContact CD1-CD1 3.9Å; Y111-L137 HydrophobicContact CD1-CD2 4.33Å; Y111-L137 HydrophobicContact CG-CD1 4.17Å; F116-L137 HydrophobicContact CB-CB 4.23Å; F116-L137 HydrophobicContact CB-CD1 4.25Å; F116-L137 HydrophobicContact CD1-CD1 4.5Å; F116-L137 HydrophobicContact CD2-CB 3.56Å; F116-L137 HydrophobicContact CE2-CB 4.04Å; F116-L137 HydrophobicContact CG-CB 3.9Å; F116-L137 HydrophobicContact CG-CD1 4.26Å; R133-L137 HydrophobicContact CG-CD1 4.14Å; R133-L137 WeakPolarHBondContact O-CG 3.22Å; R133-L137 PolarHBondContact O-N 2.75Å; A134-L137 PolarHBondContact O-N 3.37Å; L137-M139 VanDerWaalsContact C-N 3.35Å; L137-M139 PolarHBondContact O-N 2.76Å; L137-N140 PolarHBondContact O-N 2.83Å; L137-V141 WeakPolarHBondContact O-CG2 3.18Å; L137-V141 PolarHBondContact O-N 2.82Å
138A96Very high93.9Very high3 Ų368.3 Ų68.33%0.02535%0.347CS..Hα-helixtrans-58.9-45178.400000111.9F116 L117 V128 A134 R142F116-A138 HydrophobicContact CD2-CB 4.31Å; L117-A138 HydrophobicContact CB-CB 4.33Å; L117-A138 HydrophobicContact CD1-CB 3.99Å; V128-A138 HydrophobicContact CB-CB 4.46Å; V128-A138 HydrophobicContact CG1-CB 3.78Å; V128-A138 HydrophobicContact CG2-CB 3.76Å; A134-A138 WeakPolarHBondContact O-CB 3.19Å; A134-A138 PolarHBondContact O-N 3.38Å; A138-R142 VanDerWaalsContact O-CB 3.25Å; A138-R142 WeakPolarHBondContact O-CB 3.47Å; A138-R142 WeakPolarHBondContact O-CG 3.08Å; A138-R142 PolarHBondContact O-N 2.93Å
139M93.9Very high93.1Very high118 Ų11868.2 Ų68.258%0.58135%0.35SS*.Hα-helixtrans-65-44.3178.7-174.6167.561.300111.8Q135 T136 L137 N143Q135-M139 WeakPolarHBondContact O-CB 3.19Å; Q135-M139 PolarHBondContact O-N 3.28Å; T136-M139 PolarHBondContact O-N 2.98Å; L137-M139 VanDerWaalsContact C-N 3.35Å; L137-M139 PolarHBondContact O-N 2.76Å; M139-N143 WeakPolarHBondContact O-CB 3.26Å; M139-N143 PolarHBondContact O-N 2.98Å; M139-N143 PolarHBondContact O-ND2 3.27Å
140N93.2Very high92.7Very high34 Ų3472.6 Ų72.618%0.18237%0.368CS..Hα-helixtrans-59.4-50.9176.8177.6-91.5000111.6H78 T136 L137 N143 F144H78-N140 PolarHBondContact CD2-ND2 2.93Å; H78-N140 PolarHBondContact CD2-OD1 3.32Å; H78-N140 PolarHBondContact O-OD1 2.93Å; T136-N140 WeakPolarHBondContact O-CB 3.42Å; T136-N140 PolarHBondContact O-N 3.16Å; L137-N140 PolarHBondContact O-N 2.83Å; N140-N143 PolarHBondContact O-N 2.84Å; N140-F144 PolarHBondContact O-N 3.04Å
141V94.6Very high92.4Very high0 Ų066.1 Ų66.10%034%0.337CS..Hα-helixtrans-66.6-42.4-179.5171.10000111.7T75 I79 F116 L117 L137 N143 F144 L145T75-V141 HydrophobicContact CG2-CG1 3.86Å; T75-V141 HydrophobicContact CG2-CG2 4.03Å; I79-V141 HydrophobicContact CD1-CG2 4.06Å; I79-V141 HydrophobicContact CG1-CG2 4.04Å; F116-V141 HydrophobicContact CE2-CB 4.14Å; F116-V141 HydrophobicContact CE2-CG2 3.85Å; F116-V141 HydrophobicContact CZ-CG2 3.95Å; L117-V141 HydrophobicContact CD2-CG1 4.17Å; L137-V141 WeakPolarHBondContact O-CG2 3.18Å; L137-V141 PolarHBondContact O-N 2.82Å; V141-N143 VanDerWaalsContact C-N 3.34Å; V141-N143 PolarHBondContact O-N 2.96Å; V141-F144 PolarHBondContact O-N 2.62Å; V141-L145 HydrophobicContact CG1-CD1 3.85Å; V141-L145 HydrophobicContact CG1-CG 4.15Å; V141-L145 WeakPolarHBondContact O-CB 3.34Å; V141-L145 VanDerWaalsContact O-CG 3.24Å; V141-L145 WeakPolarHBondContact O-CG 3.49Å; V141-L145 PolarHBondContact O-N 3.44Å
142R94.1Very high92Very high108 Ų10867.7 Ų67.741%0.40835%0.345SS..Hα-helixtrans-63.1-39.8178.1-75.7179.671.8-173.21.8112.6L117 W126 A138 L145 K146L117-R142 HydrophobicContact CD1-CG 4.24Å; L117-R142 HydrophobicContact CD2-CG 3.83Å; W126-R142 HydrophobicContact CE3-CG 4.49Å; A138-R142 VanDerWaalsContact O-CB 3.25Å; A138-R142 WeakPolarHBondContact O-CB 3.47Å; A138-R142 WeakPolarHBondContact O-CG 3.08Å; A138-R142 PolarHBondContact O-N 2.93Å; R142-L145 PolarHBondContact O-N 2.93Å; R142-K146 WeakPolarHBondContact O-CB 3.4Å; R142-K146 PolarHBondContact O-N 3.44Å; R142-K146 VanDerWaalsContact O-N 3.08Å
143N92.6Very high91.7Very high75 Ų7569.5 Ų69.540%0.40134%0.341SS..Hα-helixtrans-65.3-47.1176.7-70.7-8.9000110.6M139 N140 V141 L145 K146 E147M139-N143 WeakPolarHBondContact O-CB 3.26Å; M139-N143 PolarHBondContact O-N 2.98Å; M139-N143 PolarHBondContact O-ND2 3.27Å; N140-N143 PolarHBondContact O-N 2.84Å; V141-N143 VanDerWaalsContact C-N 3.34Å; V141-N143 PolarHBondContact O-N 2.96Å; N143-L145 VanDerWaalsContact C-N 3.34Å; N143-L145 PolarHBondContact O-N 3.47Å; N143-K146 PolarHBondContact O-N 2.82Å; N143-K146 VanDerWaalsContact O-N 3.1Å; N143-E147 WeakPolarHBondContact O-CB 3.17Å; N143-E147 PolarHBondContact O-N 2.98Å
144F93Very high91.5Very high19 Ų1970.1 Ų70.18%0.08336%0.355CS..Hα-helixtrans-56.3-46.8174.3174.6-99.5000112.4M74 T75 H78 N140 V141 K146 D148 A149M74-F144 HydrophobicContact CB-CZ 3.99Å; T75-F144 HydrophobicContact CG2-CD1 4.27Å; T75-F144 WeakPolarHBondContact OG1-CE1 3.35Å; H78-F144 HydrophobicContact CB-CB 4.49Å; H78-F144 HydrophobicContact CB-CD2 3.7Å; H78-F144 HydrophobicContact CB-CE2 4.09Å; H78-F144 HydrophobicContact CB-CG 4.04Å; H78-F144 AromaticContact CG-CD2 3.47Å; H78-F144 VanDerWaalsContact CG-CD2 3.47Å; H78-F144 AromaticContact CG-CG 3.91Å; H78-F144 AromaticContact ND1-CD2 3.55Å; N140-F144 PolarHBondContact O-N 3.04Å; V141-F144 PolarHBondContact O-N 2.62Å; F144-K146 PolarHBondContact O-N 3.04Å; F144-D148 HydrophobicContact CD2-CB 3.46Å; F144-D148 VanDerWaalsContact CD2-CB 3.46Å; F144-D148 HydrophobicContact CE2-CB 3.49Å; F144-D148 VanDerWaalsContact CE2-CB 3.49Å; F144-D148 HydrophobicContact CG-CB 4.31Å; F144-D148 HydrophobicContact CZ-CB 4.36Å; F144-D148 PolarHBondContact O-N 3.39Å; F144-A149 HydrophobicContact CE1-CB 4.1Å; F144-A149 HydrophobicContact CZ-CB 4.47Å; F144-A149 PolarHBondContact O-N 3.32Å
145L92.1Very high91.3Very high13 Ų1372.6 Ų72.67%0.06837%0.365CS..Hα-helixtrans-60.8-35.1178.9-71.6174.7000111.9F109 W126 V141 R142 N143 M150 K151F109-L145 HydrophobicContact CE2-CD1 4.48Å; F109-L145 HydrophobicContact CZ-CD1 4.17Å; W126-L145 HydrophobicContact CH2-CD1 4.13Å; V141-L145 HydrophobicContact CG1-CD1 3.85Å; V141-L145 HydrophobicContact CG1-CG 4.15Å; V141-L145 WeakPolarHBondContact O-CB 3.34Å; V141-L145 VanDerWaalsContact O-CG 3.24Å; V141-L145 WeakPolarHBondContact O-CG 3.49Å; V141-L145 PolarHBondContact O-N 3.44Å; R142-L145 PolarHBondContact O-N 2.93Å; N143-L145 VanDerWaalsContact C-N 3.34Å; N143-L145 PolarHBondContact O-N 3.47Å; L145-M150 PolarHBondContact O-N 2.04Å; L145-K151 HydrophobicContact CB-CG 4.46Å; L145-K151 HydrophobicContact CD2-CG 4.15Å; L145-K151 WeakPolarHBondContact O-CB 3.35Å; L145-K151 WeakPolarHBondContact O-CG 3.4Å; L145-K151 PolarHBondContact O-N 3.23Å
146K90.3Very high91.1Very high147 Ų14769 Ų6964%0.63935%0.348SS*.Hα-helixtrans-80.7-44.5-178.2-174.4-175.7176.8-167.60113R142 N143 F144R142-K146 WeakPolarHBondContact O-CB 3.4Å; R142-K146 PolarHBondContact O-N 3.44Å; R142-K146 VanDerWaalsContact O-N 3.08Å; N143-K146 PolarHBondContact O-N 2.82Å; N143-K146 VanDerWaalsContact O-N 3.1Å; F144-K146 PolarHBondContact O-N 3.04Å
147E89.4Confident90.8Very high125 Ų12569.2 Ų69.258%0.58434%0.342SS*.Hα-helixtrans-98.8-45.9-166.9-64.2179.5-178.900112.5N143N143-E147 WeakPolarHBondContact O-CB 3.17Å; N143-E147 PolarHBondContact O-N 2.98Å
148D88.4Confident90.7Very high98 Ų9870.7 Ų70.752%0.52436%0.356SS..THydrogen-bonded Turntrans-89.9-48.1-177.2-61.5-103.3000111.6F144 M150F144-D148 HydrophobicContact CD2-CB 3.46Å; F144-D148 VanDerWaalsContact CD2-CB 3.46Å; F144-D148 HydrophobicContact CE2-CB 3.49Å; F144-D148 VanDerWaalsContact CE2-CB 3.49Å; F144-D148 HydrophobicContact CG-CB 4.31Å; F144-D148 HydrophobicContact CZ-CB 4.36Å; F144-D148 PolarHBondContact O-N 3.39Å; D148-M150 VanDerWaalsContact C-N 3.31Å
149A83.1Confident90.5Very high33 Ų3371.3 Ų71.327%0.27336%0.358SS..SBendtrans-84.3-7.6-179.900000113.1F144 K151F144-A149 HydrophobicContact CE1-CB 4.1Å; F144-A149 HydrophobicContact CZ-CB 4.47Å; F144-A149 PolarHBondContact O-N 3.32Å; A149-K151 HydrophobicContact CB-CD 4.39Å; A149-K151 HydrophobicContact CB-CG 3.99Å; A149-K151 PolarHBondContact O-N 2.93Å; A149-K151 VanDerWaalsContact O-N 3.1Å
150M88.3Confident90.4Very high133 Ų13367.4 Ų67.466%0.65534%0.339SS*.  trans5135.4175.3-62.6-67.1-74.100113.7L145 D148 T152L145-M150 PolarHBondContact O-N 2.04Å; D148-M150 VanDerWaalsContact C-N 3.31Å; M150-T152 PolarHBondContact O-N 3.01Å
151K87.1Confident90.4Very high41 Ų4168.1 Ų68.118%0.17835%0.349CS..  trans-74.7108.5-179.8-56.4-58.2-163163.30109.8D71 L145 A149 H155 Y156D71-K151 IonicContact OD2-NZ 3.31Å; D71-K151 PolarHBondContact OD2-NZ 3.35Å; L145-K151 HydrophobicContact CB-CG 4.46Å; L145-K151 HydrophobicContact CD2-CG 4.15Å; L145-K151 WeakPolarHBondContact O-CB 3.35Å; L145-K151 WeakPolarHBondContact O-CG 3.4Å; L145-K151 PolarHBondContact O-N 3.23Å; A149-K151 HydrophobicContact CB-CD 4.39Å; A149-K151 HydrophobicContact CB-CG 3.99Å; A149-K151 PolarHBondContact O-N 2.93Å; A149-K151 VanDerWaalsContact O-N 3.1Å; K151-H155 HydrophobicContact CB-CB 4.49Å; K151-H155 PolarHBondContact NZ-CE1 2.91Å; K151-H155 PolarHBondContact NZ-NE2 3.36Å; K151-Y156 HydrophobicContact CB-CE2 4.12Å
152T89.1Confident90.3Very high80 Ų8072.4 Ų72.449%0.49137%0.372SS..  trans-90.5173178.665.10000111.8M150 T154 H155 Y156M150-T152 PolarHBondContact O-N 3.01Å; T152-T154 PolarHBondContact O-N 2.88Å; T152-T154 PolarHBondContact OG1-N 2.77Å; T152-H155 VanDerWaalsContact O-CB 3.28Å; T152-H155 WeakPolarHBondContact O-CB 3.43Å; T152-H155 PolarHBondContact O-N 2.96Å; T152-Y156 VanDerWaalsContact O-CD2 3.25Å; T152-Y156 WeakPolarHBondContact O-CD2 3.47Å; T152-Y156 PolarHBondContact O-N 3.48Å
153K86.9Confident90.4Very high135 Ų13567.5 Ų67.559%0.58735%0.354SS*.Hα-helixtrans-53-39.7170.9-68.2-172.8171.6-133.90112.6E124 H155 Y156 H157E124-K153 WeakPolarHBondContact OE2-CD 3.46Å; E124-K153 VanDerWaalsContact OE2-CE 3.22Å; E124-K153 WeakPolarHBondContact OE2-CE 3.31Å; E124-K153 IonicContact OE2-NZ 3.88Å; E124-K153 PolarHBondContact OE2-NZ 2.97Å; K153-H155 PolarHBondContact O-N 2.95Å; K153-Y156 PolarHBondContact O-N 3.35Å; K153-Y156 VanDerWaalsContact O-N 3.16Å; K153-H157 PolarHBondContact O-N 2.93Å; K153-H157 PolarHBondContact O-ND1 2.89Å
154T88.9Confident90.5Very high104 Ų10464.6 Ų64.664%0.63834%0.339SS*.Hα-helixtrans-58.9-34.7176.8-47.80000112.3T152 A158T152-T154 PolarHBondContact O-N 2.88Å; T152-T154 PolarHBondContact OG1-N 2.77Å; T154-A158 WeakPolarHBondContact O-CB 3.47Å; T154-A158 PolarHBondContact O-N 3.48Å
155H90.3Very high90.7Very high59 Ų5969.7 Ų69.727%0.27336%0.363SS..Hα-helixtrans-63.8-46.5176.2179.871.7000111.9K151 T152 K153 A158 M159K151-H155 HydrophobicContact CB-CB 4.49Å; K151-H155 PolarHBondContact NZ-CE1 2.91Å; K151-H155 PolarHBondContact NZ-NE2 3.36Å; T152-H155 VanDerWaalsContact O-CB 3.28Å; T152-H155 WeakPolarHBondContact O-CB 3.43Å; T152-H155 PolarHBondContact O-N 2.96Å; K153-H155 PolarHBondContact O-N 2.95Å; H155-A158 PolarHBondContact O-N 2.84Å; H155-M159 WeakPolarHBondContact NE2-CE 3.38Å; H155-M159 WeakPolarHBondContact O-CB 3.32Å; H155-M159 PolarHBondContact O-N 3.34Å
156Y91Very high90.7Very high20 Ų2070 Ų708%0.07836%0.364CS..Hα-helixtrans-69.6-36-179.5-60.4-69.8000112Q119 L121 W126 K151 T152 K153 M159 H160Q119-Y156 VanDerWaalsContact OE1-CE1 3.32Å; L121-Y156 HydrophobicContact CD2-CD1 4.06Å; W126-Y156 HydrophobicContact CH2-CE1 4.33Å; W126-Y156 HydrophobicContact CZ2-CE1 4.18Å; W126-Y156 HydrophobicContact CZ2-CE2 4.44Å; W126-Y156 AromaticContact CZ2-CZ 3.86Å; K151-Y156 HydrophobicContact CB-CE2 4.12Å; T152-Y156 VanDerWaalsContact O-CD2 3.25Å; T152-Y156 WeakPolarHBondContact O-CD2 3.47Å; T152-Y156 PolarHBondContact O-N 3.48Å; K153-Y156 PolarHBondContact O-N 3.35Å; K153-Y156 VanDerWaalsContact O-N 3.16Å; Y156-M159 PolarHBondContact O-N 3.34Å; Y156-H160 WeakPolarHBondContact O-CB 3.44Å; Y156-H160 PolarHBondContact O-N 2.84Å
157H89.9Confident91Very high96 Ų9663 Ų6344%0.44433%0.334SS..Hα-helixtrans-62.8-41.2170.3-75.4138.4000113E124 K153 H160 A161E124-H157 IonicContact OE1-CE1 3.49Å; E124-H157 PolarHBondContact OE1-CE1 3.43Å; E124-H157 IonicContact OE1-ND1 2.74Å; E124-H157 IonicContact OE1-NE2 2.77Å; E124-H157 PolarHBondContact OE1-NE2 2.91Å; K153-H157 PolarHBondContact O-N 2.93Å; K153-H157 PolarHBondContact O-ND1 2.89Å; H157-H160 WeakPolarHBondContact O-CB 3.42Å; H157-H160 PolarHBondContact O-N 2.93Å; H157-A161 WeakPolarHBondContact O-CB 3.17Å; H157-A161 PolarHBondContact O-N 3.48Å
158A91.8Very high91.2Very high43 Ų4363.5 Ų63.536%0.35533%0.33SS..Hα-helixtrans-63.5-45.3174.200000110.7T154 H155 H160 A161 D162T154-A158 WeakPolarHBondContact O-CB 3.47Å; T154-A158 PolarHBondContact O-N 3.48Å; H155-A158 PolarHBondContact O-N 2.84Å; A158-H160 VanDerWaalsContact C-N 3.33Å; A158-H160 PolarHBondContact O-N 3.14Å; A158-A161 PolarHBondContact O-N 2.98Å; A158-A161 VanDerWaalsContact O-N 3.13Å; A158-D162 WeakPolarHBondContact O-CB 3.43Å; A158-D162 PolarHBondContact O-N 3.48Å
159M91.8Very high91.5Very high17 Ų1761.2 Ų61.28%0.08431%0.314CS..Hα-helixtrans-58.6-42.6176.8-174.3-172.7-65.800112.8R93 Q107 L121 H155 Y156 C163R93-M159 WeakPolarHBondContact CD-SD 3.33Å; R93-M159 HydrophobicContact CG-SD 4.22Å; Q107-M159 PolarHBondContact OE1-SD 2.92Å; L121-M159 HydrophobicContact CD1-CG 4.32Å; L121-M159 HydrophobicContact CD1-SD 4.06Å; L121-M159 HydrophobicContact CD2-SD 4.29Å; H155-M159 WeakPolarHBondContact NE2-CE 3.38Å; H155-M159 WeakPolarHBondContact O-CB 3.32Å; H155-M159 PolarHBondContact O-N 3.34Å; Y156-M159 PolarHBondContact O-N 3.34Å; M159-C163 PolarHBondContact O-N 2.88Å
160H92.3Very high91.9Very high36 Ų3659.6 Ų59.617%0.16730%0.301CS..Hα-helixtrans-57.3-53.2172.3171.5-77.8000111.2S105 L121 E122 Y156 H157 A158 L164S105-H160 PolarHBondContact OG-CD2 2.65Å; S105-H160 PolarHBondContact OG-NE2 3.3Å; L121-H160 HydrophobicContact CB-CB 4.22Å; E122-H160 VanDerWaalsContact CG-NE2 3.34Å; E122-H160 WeakPolarHBondContact CG-NE2 3.42Å; E122-H160 IonicContact OE1-NE2 3.29Å; Y156-H160 WeakPolarHBondContact O-CB 3.44Å; Y156-H160 PolarHBondContact O-N 2.84Å; H157-H160 WeakPolarHBondContact O-CB 3.42Å; H157-H160 PolarHBondContact O-N 2.93Å; A158-H160 VanDerWaalsContact C-N 3.33Å; A158-H160 PolarHBondContact O-N 3.14Å; H160-L164 WeakPolarHBondContact CE1-CD1 3.37Å; H160-L164 PolarHBondContact O-N 2.89Å
161A93.6Very high91.9Very high48 Ų4855.4 Ų55.440%0.39728%0.281SS..Hα-helixtrans-63.3-44.3-177.900000112.4H157 A158 C163 L164 Q165H157-A161 WeakPolarHBondContact O-CB 3.17Å; H157-A161 PolarHBondContact O-N 3.48Å; A158-A161 PolarHBondContact O-N 2.98Å; A158-A161 VanDerWaalsContact O-N 3.13Å; A161-C163 PolarHBondContact O-N 2.98Å; A161-L164 PolarHBondContact O-N 2.88Å; A161-Q165 VanDerWaalsContact O-CB 3.29Å; A161-Q165 WeakPolarHBondContact O-CB 3.09Å; A161-Q165 PolarHBondContact O-N 2.89Å
162D93.3Very high92.1Very high90 Ų9060.9 Ų60.948%0.48131%0.307SS..Hα-helixtrans-60.5-45.7-179.4-69.1-18.1000110.9A158 L164 Q165 E166A158-D162 WeakPolarHBondContact O-CB 3.43Å; A158-D162 PolarHBondContact O-N 3.48Å; D162-L164 PolarHBondContact O-N 2.93Å; D162-Q165 PolarHBondContact O-N 2.94Å; D162-E166 WeakPolarHBondContact O-CG 3.3Å; D162-E166 PolarHBondContact O-N 3.5Å
163C95.1Very high92Very high6 Ų659.2 Ų59.24%0.04130%0.299CS..Hα-helixtrans-61.1-48178.4-170.60000111.5C95 M159 A161 Q165 E166 L167C95-C163 HydrophobicContact CB-CB 3.75Å; C95-C163 WeakPolarHBondContact CB-SG 3.45Å; C95-C163 WeakPolarHBondContact SG-CB 3.29Å; C95-C163 PolarHBondContact SG-O 3.05Å; C95-C163 CovalentContact SG-SG 2.04Å; C95-C163 PolarHBondContact SG-SG 2.89Å; M159-C163 PolarHBondContact O-N 2.88Å; A161-C163 PolarHBondContact O-N 2.98Å; C163-Q165 VanDerWaalsContact C-N 3.34Å; C163-Q165 PolarHBondContact O-N 3.13Å; C163-E166 PolarHBondContact O-N 3.09Å; C163-L167 WeakPolarHBondContact O-CB 3.2Å; C163-L167 PolarHBondContact O-N 2.88Å
164L95.9Very high91.8Very high13 Ų1353.7 Ų53.77%0.06828%0.28CS..Hα-helixtrans-66.1-37.3179.7-71.6172.2000112.2C95 I97 T103 H160 A161 D162 L167 R168C95-L164 HydrophobicContact CB-CD2 3.86Å; C95-L164 HydrophobicContact CB-CG 4.17Å; I97-L164 HydrophobicContact CD1-CD2 4.46Å; I97-L164 HydrophobicContact CG1-CD2 3.96Å; T103-L164 HydrophobicContact CG2-CD1 3.85Å; T103-L164 HydrophobicContact CG2-CD2 3.86Å; H160-L164 WeakPolarHBondContact CE1-CD1 3.37Å; H160-L164 PolarHBondContact O-N 2.89Å; A161-L164 PolarHBondContact O-N 2.88Å; D162-L164 PolarHBondContact O-N 2.93Å; L164-L167 PolarHBondContact O-N 3.27Å; L164-R168 VanDerWaalsContact O-CG 3.31Å; L164-R168 WeakPolarHBondContact O-CG 3.39Å; L164-R168 PolarHBondContact O-N 2.91Å
165Q95.3Very high91.6Very high127 Ų12748.7 Ų48.759%0.59325%0.249SC*.Hα-helixtrans-63.8-44.6176.3-177.2176.4300111A161 D162 C163 R168 R169A161-Q165 VanDerWaalsContact O-CB 3.29Å; A161-Q165 WeakPolarHBondContact O-CB 3.09Å; A161-Q165 PolarHBondContact O-N 2.89Å; D162-Q165 PolarHBondContact O-N 2.94Å; C163-Q165 VanDerWaalsContact C-N 3.34Å; C163-Q165 PolarHBondContact O-N 3.13Å; Q165-R168 PolarHBondContact O-N 2.95Å; Q165-R169 WeakPolarHBondContact O-CB 3.42Å; Q165-R169 PolarHBondContact O-N 3.26Å
166E94.1Very high90.9Very high20 Ų2046.9 Ų46.99%0.09324%0.242CC..Hα-helixtrans-65.2-42.9175.9-70.4-59.5155.600111.7L4 R60 D162 C163 R168 R169 Y170L4-E166 HydrophobicContact CD2-CB 3.79Å; R60-E166 IonicContact CZ-OE1 2.97Å; R60-E166 IonicContact CZ-OE2 3.91Å; R60-E166 IonicContact NE-OE1 2.62Å; R60-E166 PolarHBondContact NE-OE1 2.92Å; R60-E166 VanDerWaalsContact NH2-CD 3.32Å; R60-E166 IonicContact NH2-OE1 3.48Å; R60-E166 PolarHBondContact NH2-OE1 2.81Å; R60-E166 IonicContact NH2-OE2 3.9Å; R60-E166 PolarHBondContact NH2-OE2 3.4Å; D162-E166 WeakPolarHBondContact O-CG 3.3Å; D162-E166 PolarHBondContact O-N 3.5Å; C163-E166 PolarHBondContact O-N 3.09Å; E166-R168 PolarHBondContact O-N 3.08Å; E166-R169 PolarHBondContact O-N 3.38Å; E166-R169 IonicContact OE2-CZ 3.58Å; E166-R169 IonicContact OE2-NE 2.8Å; E166-R169 PolarHBondContact OE2-NE 2.82Å; E166-R169 IonicContact OE2-NH2 2.66Å; E166-R169 PolarHBondContact OE2-NH2 3Å; E166-Y170 HydrophobicContact CB-CD2 4.49Å; E166-Y170 HydrophobicContact CB-CE2 4.08Å; E166-Y170 WeakPolarHBondContact O-CD2 3.47Å; E166-Y170 PolarHBondContact O-N 3.19Å
167L95.3Very high90.2Very high0 Ų052.1 Ų52.10%027%0.271CS..Hα-helixtrans-57.2-51.6175176.754.1000111.1H2 L4 L27 I97 C163 L164 R169 Y170 L171H2-L167 HydrophobicContact CB-CD1 4.27Å; L4-L167 HydrophobicContact CB-CB 3.96Å; L4-L167 HydrophobicContact CB-CD1 4.07Å; L4-L167 HydrophobicContact CB-CD2 4.46Å; L4-L167 HydrophobicContact CB-CG 4.37Å; L4-L167 HydrophobicContact CD2-CB 4.2Å; L27-L167 HydrophobicContact CD1-CD1 3.61Å; I97-L167 HydrophobicContact CB-CD2 4.44Å; I97-L167 HydrophobicContact CD1-CD2 3.86Å; I97-L167 HydrophobicContact CD1-CG 4Å; I97-L167 HydrophobicContact CG1-CD2 3.84Å; C163-L167 WeakPolarHBondContact O-CB 3.2Å; C163-L167 PolarHBondContact O-N 2.88Å; L164-L167 PolarHBondContact O-N 3.27Å; L167-R169 VanDerWaalsContact C-N 3.33Å; L167-R169 PolarHBondContact O-N 2.83Å; L167-Y170 PolarHBondContact O-N 3.12Å; L167-Y170 VanDerWaalsContact O-N 3.15Å; L167-L171 HydrophobicContact CD1-CD1 4.24Å; L167-L171 HydrophobicContact CD1-CD2 4.44Å; L167-L171 HydrophobicContact CD1-CG 4.17Å; L167-L171 HydrophobicContact CG-CD1 4.29Å; L167-L171 WeakPolarHBondContact O-CG 3.31Å; L167-L171 PolarHBondContact O-N 3.07Å
168R94.8Very high89.4Confident134 Ų13454.9 Ų54.951%0.50628%0.277SS..Hα-helixtrans-57.1-46.2177.5-73.2176.7-175-159.20.8112I97 L164 Q165 E166 Y170 L171 E172I97-R168 HydrophobicContact CD1-CG 3.66Å; L164-R168 VanDerWaalsContact O-CG 3.31Å; L164-R168 WeakPolarHBondContact O-CG 3.39Å; L164-R168 PolarHBondContact O-N 2.91Å; Q165-R168 PolarHBondContact O-N 2.95Å; E166-R168 PolarHBondContact O-N 3.08Å; R168-Y170 VanDerWaalsContact C-N 3.3Å; R168-Y170 PolarHBondContact O-N 3.14Å; R168-L171 WeakPolarHBondContact O-CB 3.37Å; R168-L171 PolarHBondContact O-N 3.13Å; R168-L171 VanDerWaalsContact O-N 3.16Å; R168-E172 WeakPolarHBondContact O-CB 3.2Å; R168-E172 WeakPolarHBondContact O-CG 3.33Å; R168-E172 PolarHBondContact O-N 3.38Å
169R92.7Very high88.8Confident50 Ų5055.4 Ų55.419%0.18927%0.27CS..Hα-helixtrans-60.4-40.2178.1-174.6-16964.592.2-16.7112.1T57 R60 Q165 E166 L167 S173T57-R169 VanDerWaalsContact CG2-NH2 3.27Å; T57-R169 PolarHBondContact OG1-NH1 2.92Å; R60-R169 VanDerWaalsContact NH2-CD 3.26Å; R60-R169 VanDerWaalsContact NH2-NH2 3.15Å; Q165-R169 WeakPolarHBondContact O-CB 3.42Å; Q165-R169 PolarHBondContact O-N 3.26Å; E166-R169 PolarHBondContact O-N 3.38Å; E166-R169 IonicContact OE2-CZ 3.58Å; E166-R169 IonicContact OE2-NE 2.8Å; E166-R169 PolarHBondContact OE2-NE 2.82Å; E166-R169 IonicContact OE2-NH2 2.66Å; E166-R169 PolarHBondContact OE2-NH2 3Å; L167-R169 VanDerWaalsContact C-N 3.33Å; L167-R169 PolarHBondContact O-N 2.83Å; R169-S173 WeakPolarHBondContact O-CB 3.39Å; R169-S173 PolarHBondContact O-N 3.33Å
170Y91.4Very high88.6Confident0 Ų056.8 Ų56.80%028%0.28CS..Hα-helixtrans-65.3-43.2175.5-68.7-48.2000111.7L4 L27 F32 L53 T57 E61 E166 L167 R168 S173 V175L4-Y170 HydrophobicContact CD1-CD2 4.13Å; L4-Y170 HydrophobicContact CD1-CE2 4.15Å; L4-Y170 HydrophobicContact CD2-CD2 4.12Å; L4-Y170 HydrophobicContact CD2-CE2 4.07Å; L27-Y170 HydrophobicContact CD2-CG 4.45Å; F32-Y170 HydrophobicContact CE1-CD1 4.09Å; F32-Y170 HydrophobicContact CE1-CD2 4.26Å; F32-Y170 AromaticContact CE1-CE1 3.63Å; F32-Y170 HydrophobicContact CE1-CE1 3.63Å; F32-Y170 AromaticContact CE1-CE2 3.83Å; F32-Y170 HydrophobicContact CE1-CE2 3.83Å; F32-Y170 HydrophobicContact CE1-CG 4.4Å; F32-Y170 AromaticContact CE1-CZ 3.5Å; F32-Y170 AromaticContact CZ-CD1 3.6Å; F32-Y170 HydrophobicContact CZ-CD1 3.6Å; F32-Y170 HydrophobicContact CZ-CD2 4.49Å; F32-Y170 AromaticContact CZ-CE1 3.37Å; F32-Y170 HydrophobicContact CZ-CE1 3.37Å; F32-Y170 HydrophobicContact CZ-CE2 4.34Å; F32-Y170 HydrophobicContact CZ-CG 4.18Å; F32-Y170 AromaticContact CZ-CZ 3.79Å; L53-Y170 HydrophobicContact CD1-CD1 4.04Å; L53-Y170 HydrophobicContact CD1-CE1 3.87Å; L53-Y170 HydrophobicContact CD2-CD1 4.17Å; L53-Y170 HydrophobicContact CD2-CE1 4.31Å; T57-Y170 HydrophobicContact CG2-CE1 3.91Å; E61-Y170 VanDerWaalsContact CD-OH 3.31Å; E61-Y170 WeakPolarHBondContact CG-OH 3.43Å; E61-Y170 PolarHBondContact OE1-OH 2.84Å; E166-Y170 HydrophobicContact CB-CD2 4.49Å; E166-Y170 HydrophobicContact CB-CE2 4.08Å; E166-Y170 WeakPolarHBondContact O-CD2 3.47Å; E166-Y170 PolarHBondContact O-N 3.19Å; L167-Y170 PolarHBondContact O-N 3.12Å; L167-Y170 VanDerWaalsContact O-N 3.15Å; R168-Y170 VanDerWaalsContact C-N 3.3Å; R168-Y170 PolarHBondContact O-N 3.14Å; Y170-S173 PolarHBondContact O-N 2.91Å; Y170-S173 PolarHBondContact O-OG 3.44Å; Y170-V175 WeakPolarHBondContact O-CG1 3.01Å
171L90Very high88.5Confident44 Ų4458 Ų5823%0.2329%0.289CS..Hα-helixtrans-60-47.5174.9-61.2175.7000111.7H2 I97 L167 R168 S173 G174 V176H2-L171 HydrophobicContact CB-CD1 3.85Å; H2-L171 HydrophobicContact CB-CD2 4.02Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.47Å; I97-L171 HydrophobicContact CD1-CD1 4.46Å; L167-L171 HydrophobicContact CD1-CD1 4.24Å; L167-L171 HydrophobicContact CD1-CD2 4.44Å; L167-L171 HydrophobicContact CD1-CG 4.17Å; L167-L171 HydrophobicContact CG-CD1 4.29Å; L167-L171 WeakPolarHBondContact O-CG 3.31Å; L167-L171 PolarHBondContact O-N 3.07Å; R168-L171 WeakPolarHBondContact O-CB 3.37Å; R168-L171 PolarHBondContact O-N 3.13Å; R168-L171 VanDerWaalsContact O-N 3.16Å; L171-S173 VanDerWaalsContact C-N 3.28Å; L171-S173 PolarHBondContact O-N 2.61Å; L171-G174 PolarHBondContact O-N 3.21Å; L171-G174 VanDerWaalsContact O-N 3.11Å; L171-V176 HydrophobicContact CD2-CB 4.33Å; L171-V176 HydrophobicContact CD2-CG2 3.71Å
172E90.4Very high88.5Confident157 Ų15759.6 Ų59.673%0.73430%0.296SS*.Hα-helixtrans-63.8-30.2178.9-72.6169.3-169.600113.1R168 G174R168-E172 WeakPolarHBondContact O-CB 3.2Å; R168-E172 WeakPolarHBondContact O-CG 3.33Å; R168-E172 PolarHBondContact O-N 3.38Å; E172-G174 PolarHBondContact O-N 3.46Å
173S88.1Confident88.6Confident45 Ų4556.2 Ų56.232%0.31528%0.279SS..THydrogen-bonded Turntrans-68.1-12.1176.274.40000113.8V52 R169 Y170 L171 V175V52-S173 VanDerWaalsContact CG1-O 3.26Å; V52-S173 WeakPolarHBondContact CG1-O 3.05Å; R169-S173 WeakPolarHBondContact O-CB 3.39Å; R169-S173 PolarHBondContact O-N 3.33Å; Y170-S173 PolarHBondContact O-N 2.91Å; Y170-S173 PolarHBondContact O-OG 3.44Å; L171-S173 VanDerWaalsContact C-N 3.28Å; L171-S173 PolarHBondContact O-N 2.61Å; S173-V175 PolarHBondContact O-N 3.27Å; S173-V175 PolarHBondContact OG-N 2.95Å
174G82.6Confident88.6Confident18 Ų1861.5 Ų61.519%0.18630%0.304CS..THydrogen-bonded Turntrans75.78-177.500000114.2L171 E172 V176 L177 R178L171-G174 PolarHBondContact O-N 3.21Å; L171-G174 VanDerWaalsContact O-N 3.11Å; E172-G174 PolarHBondContact O-N 3.46Å; G174-V176 PolarHBondContact O-N 2.79Å; G174-L177 WeakPolarHBondContact O-CB 3.37Å; G174-L177 PolarHBondContact O-N 3.32Å; G174-L177 VanDerWaalsContact O-N 3.11Å; G174-R178 PolarHBondContact O-N 2.78Å
175V83.7Confident88.7Confident0 Ų062.4 Ų62.40%031%0.31CS..THydrogen-bonded Turntrans-60.8-34.8-179.579.20000111.9L27 F32 W48 V52 L53 Y170 S173L27-V175 HydrophobicContact CD2-CG1 3.52Å; F32-V175 HydrophobicContact CE2-CG1 4.36Å; F32-V175 HydrophobicContact CE2-CG2 4.06Å; W48-V175 HydrophobicContact CE3-CG2 3.7Å; W48-V175 HydrophobicContact CZ3-CG1 4.38Å; W48-V175 HydrophobicContact CZ3-CG2 3.84Å; W48-V175 WeakPolarHBondContact O-CG2 3.32Å; V52-V175 HydrophobicContact CB-CB 4.25Å; V52-V175 HydrophobicContact CB-CG2 3.98Å; V52-V175 HydrophobicContact CG1-CB 3.9Å; V52-V175 HydrophobicContact CG1-CG2 4.19Å; V52-V175 HydrophobicContact CG2-CG2 4.3Å; L53-V175 HydrophobicContact CD1-CG2 4.26Å; L53-V175 HydrophobicContact CG-CG2 4.44Å; Y170-V175 WeakPolarHBondContact O-CG1 3.01Å; S173-V175 PolarHBondContact O-N 3.27Å; S173-V175 PolarHBondContact OG-N 2.95Å
176V76.6Confident88.7Confident20 Ų2061 Ų6112%0.12131%0.307CS..THydrogen-bonded Turntrans-70-39.8175.6178.30000111.6L27 D28 L171 G174 R178 R179L27-V176 HydrophobicContact CD1-CG2 4.49Å; L27-V176 HydrophobicContact CD2-CG2 3.57Å; L27-V176 HydrophobicContact CG-CG2 3.95Å; D28-V176 WeakPolarHBondContact OD2-CG1 3.16Å; L171-V176 HydrophobicContact CD2-CB 4.33Å; L171-V176 HydrophobicContact CD2-CG2 3.71Å; G174-V176 PolarHBondContact O-N 2.79Å; V176-R178 VanDerWaalsContact C-N 3.32Å; V176-R178 PolarHBondContact O-N 3.2Å; V176-R179 PolarHBondContact O-N 3.24Å; V176-R179 VanDerWaalsContact O-N 3.11Å
177L75.1Confident88.9Confident131 Ų13160.9 Ų60.969%0.68631%0.307SS*.G310 helixtrans-64.2-35.7179.9-68.4174.2000112.5G174 R179 T180G174-L177 WeakPolarHBondContact O-CB 3.37Å; G174-L177 PolarHBondContact O-N 3.32Å; G174-L177 VanDerWaalsContact O-N 3.11Å; L177-R179 PolarHBondContact O-N 2.97Å; L177-R179 VanDerWaalsContact O-N 3.1Å; L177-T180 WeakPolarHBondContact O-CB 3.24Å; L177-T180 PolarHBondContact O-N 2.91Å; L177-T180 VanDerWaalsContact O-N 3.09Å; L177-T180 PolarHBondContact O-OG1 3.14Å
178R73.6Confident88.8Confident153 Ų15363.9 Ų63.958%0.57733%0.326SS*.G310 helixtrans-60.7-19.2176.1-80.6-147.7-178.9-1732.9113.7D51 V52 G174 V176D51-R178 IonicContact OD2-NH1 2.78Å; D51-R178 PolarHBondContact OD2-NH1 3.26Å; V52-R178 VanDerWaalsContact CG2-CD 3.47Å; V52-R178 HydrophobicContact CG2-CG 4.07Å; G174-R178 PolarHBondContact O-N 2.78Å; V176-R178 VanDerWaalsContact C-N 3.32Å; V176-R178 PolarHBondContact O-N 3.2Å
179R78.6Confident88.6Confident54 Ų5461.5 Ų61.520%0.20432%0.317CS..G310 helixtrans-95.4-11179.2-165.8173.4178.8141.82.1113.3Q30 V176 L177 V181 Y207Q30-R179 VanDerWaalsContact CB-NH1 3.3Å; Q30-R179 VanDerWaalsContact CG-CZ 3.47Å; V176-R179 PolarHBondContact O-N 3.24Å; V176-R179 VanDerWaalsContact O-N 3.11Å; L177-R179 PolarHBondContact O-N 2.97Å; L177-R179 VanDerWaalsContact O-N 3.1Å; R179-V181 WeakPolarHBondContact O-CG2 3.29Å; R179-V181 PolarHBondContact O-N 2.98Å; R179-V181 VanDerWaalsContact O-N 3.13Å; R179-Y207 HydrophobicContact CB-CD1 4.37Å; R179-Y207 HydrophobicContact CB-CE1 4.24Å; R179-Y207 HydrophobicContact CG-CD1 3.89Å; R179-Y207 HydrophobicContact CG-CE1 3.91Å; R179-Y207 WeakPolarHBondContact O-CD1 3.36Å
180T87.2Confident88.5Confident47 Ų4761.9 Ų61.929%0.28833%0.327SS..  trans-59121.7-179.2-58.30000110.1L177 Y207L177-T180 WeakPolarHBondContact O-CB 3.24Å; L177-T180 PolarHBondContact O-N 2.91Å; L177-T180 VanDerWaalsContact O-N 3.09Å; L177-T180 PolarHBondContact O-OG1 3.14Å; T180-Y207 CarbonylContact C-O 3.48Å; T180-Y207 WeakPolarHBondContact CA-O 3.5Å
181V91Very high88.1Confident61 Ų6167.8 Ų67.837%0.3736%0.355SS..BIsolated β-bridgetrans-111.5112.5174.1-171.30000107.4R179 S205 F206 Y207 T239 H262R179-V181 WeakPolarHBondContact O-CG2 3.29Å; R179-V181 PolarHBondContact O-N 2.98Å; R179-V181 VanDerWaalsContact O-N 3.13Å; V181-S205 WeakPolarHBondContact CG1-O 3.09Å; V181-F206 VanDerWaalsContact O-CA 3.27Å; V181-F206 WeakPolarHBondContact O-CA 3.48Å; V181-Y207 PolarHBondContact N-O 2.8Å; V181-Y207 PolarHBondContact O-N 2.8Å; V181-T239 HydrophobicContact CG2-CG2 4.4Å; V181-H262 PolarHBondContact O-CE1 3.35Å
182P93.2Very high87.5Confident81 Ų8167.1 Ų67.153%0.52636%0.355SS..  trans-62.7145.4176.3-21.833000111.6
183P96.3Very high86.9Confident19 Ų1963.5 Ų63.512%0.12335%0.348CS..  trans-67.6138.8178.724.9-32.2000112.4V185 A203 F206 I211 M260 H262P183-V185 HydrophobicContact CB-CG2 4.25Å; P183-V185 HydrophobicContact CG-CG2 4.37Å; P183-A203 HydrophobicContact CB-CB 4.07Å; P183-F206 HydrophobicContact CB-CB 3.71Å; P183-F206 HydrophobicContact CB-CD1 3.98Å; P183-F206 HydrophobicContact CB-CG 4.12Å; P183-F206 HydrophobicContact CG-CB 4.38Å; P183-I211 HydrophobicContact CB-CD1 4.2Å; P183-I211 HydrophobicContact CG-CD1 4.17Å; P183-M260 HydrophobicContact CG-CE 3.42Å; P183-M260 VanDerWaalsContact CG-CE 3.42Å; P183-M260 HydrophobicContact CG-CG 4.27Å; P183-M260 HydrophobicContact CG-SD 3.53Å; P183-M260 VanDerWaalsContact CG-SD 3.53Å; P183-H262 HydrophobicContact CG-CB 4.09Å
184M95.1Very high86.4Confident117 Ų11770.2 Ų70.258%0.57637%0.374SS*.EExtended strand (participates in β ladder)trans-80.6115.5158.7-64.4-169.2-7000108.3A203 S204 S205M184-A203 WeakPolarHBondContact O-CA 3.3Å; M184-S204 PolarHBondContact N-O 2.67Å; M184-S204 PolarHBondContact O-N 2.98Å; M184-S204 PolarHBondContact O-OG 2.93Å; M184-S205 WeakPolarHBondContact CE-OG 3.48Å
185V96.8Very high86.3Confident32 Ų3271.4 Ų71.419%0.19439%0.387CS..EExtended strand (participates in β ladder)trans-102.5128.6-179.5-175.20000110P183 R202 M260 H269P183-V185 HydrophobicContact CB-CG2 4.25Å; P183-V185 HydrophobicContact CG-CG2 4.37Å; V185-R202 CarbonylContact C-O 3.56Å; V185-R202 VanDerWaalsContact CA-O 3.32Å; V185-R202 WeakPolarHBondContact CA-O 3.32Å; V185-M260 HydrophobicContact CG2-CE 4.39Å; V185-M260 HydrophobicContact CG2-CG 4.24Å; V185-H269 HydrophobicContact CG1-CB 4.31Å
186N96.5Very high86.6Confident98 Ų9874 Ų7452%0.52440%0.4SS..EExtended strand (participates in β ladder)trans-128.4128175.4-17118.9000110R202N186-R202 PolarHBondContact N-O 3.49Å; N186-R202 PolarHBondContact O-N 2.68Å
187V97.1Very high87.4Confident17 Ų1773.2 Ų73.210%0.10340%0.396CS..EExtended strand (participates in β ladder)trans-105.4120.2176.7-177.60000108.7T200 C201 W215 C258 H269V187-T200 WeakPolarHBondContact CA-O 3.36Å; V187-C201 HydrophobicContact CG2-CB 4.41Å; V187-W215 HydrophobicContact CG1-CH2 3.73Å; V187-W215 HydrophobicContact CG1-CZ2 4.36Å; V187-C258 HydrophobicContact CG2-CB 4.34Å; V187-H269 HydrophobicContact CG2-CB 3.66Å
188T94.3Very high88.3Confident63 Ų6368.1 Ų68.139%0.38737%0.37SS..EExtended strand (participates in β ladder)trans-118158-179.657.90000110.5V199 T200T188-V199 WeakPolarHBondContact O-CA 3.3Å; T188-T200 PolarHBondContact N-O 3.36Å; T188-T200 PolarHBondContact O-N 2.97Å; T188-T200 PolarHBondContact OG1-O 3.45Å
189R91.2Very high89.3Confident84 Ų8460.8 Ų60.832%0.31734%0.342SS..EExtended strand (participates in β ladder)trans-127.5140.817767.8-174.8-168.51519.4109.2T198R189-T198 WeakPolarHBondContact CA-O 3.25Å
190S89.3Confident90.2Very high59 Ų5959.4 Ų59.441%0.41334%0.34SS..EExtended strand (participates in β ladder)trans-130.8145.8172.555.30000109.4A192 I197 T198S190-A192 PolarHBondContact O-N 2.98Å; S190-I197 WeakPolarHBondContact O-CA 3.37Å; S190-T198 PolarHBondContact N-O 2.91Å; S190-T198 PolarHBondContact O-N 3.26Å; S190-T198 PolarHBondContact OG-O 2.86Å
191E84.5Confident90.7Very high124 Ų12457.2 Ų57.258%0.57933%0.326SS*.EExtended strand (participates in β ladder)trans-68.2130.8175.7-65.3-65.5176.700109.3R250E191-R250 IonicContact OE1-NH2 2.65Å; E191-R250 PolarHBondContact OE1-NH2 3.39Å; E191-R250 VanDerWaalsContact OE1-NH2 3.14Å; E191-R250 IonicContact OE2-CZ 3.36Å; E191-R250 IonicContact OE2-NH2 3.82Å; E191-R250 PolarHBondContact OE2-NH2 3.1Å
192A76.3Confident91Very high29 Ų2958.7 Ų58.724%0.2433%0.325CS..  trans-108.7177.5168.800000109.6S190 N196S190-A192 PolarHBondContact O-N 2.98Å; A192-N196 CarbonylContact C-O 3.5Å; A192-N196 WeakPolarHBondContact CA-O 3.36Å; A192-N196 HydrophobicContact CB-CB 4.23Å; A192-N196 WeakPolarHBondContact CB-O 3.18Å; A192-N196 PolarHBondContact N-O 3.37Å
193S78Confident91.3Very high82 Ų8254.9 Ų54.957%0.57330%0.3SS*.SBendtrans-69.7152176.851.20000111.9G195 N196S193-G195 PolarHBondContact O-N 2.92Å; S193-N196 PolarHBondContact O-N 3.37Å
194E77.8Confident91.3Very high185 Ų18555.3 Ų55.386%0.86430%0.304SS*.THydrogen-bonded Turntrans61.141.4164.2-60.6175.2-174.400115.8N196E194-N196 PolarHBondContact O-N 2.82Å
195G81.1Confident91.2Very high44 Ų4451.2 Ų51.245%0.45429%0.286SS..THydrogen-bonded Turntrans79.85.3174.400000114.6S193 R250S193-G195 PolarHBondContact O-N 2.92Å; G195-R250 WeakPolarHBondContact O-CB 3.29Å; G195-R250 PolarHBondContact O-N 2.79Å; G195-R250 VanDerWaalsContact O-N 3.14Å
196N89.8Confident91.1Very high53 Ų5349.7 Ų49.728%0.28328%0.277SS..EExtended strand (participates in β ladder)trans-92.4155.1171.1-64-40.5000111A192 S193 E194 I248A192-N196 CarbonylContact C-O 3.5Å; A192-N196 WeakPolarHBondContact CA-O 3.36Å; A192-N196 HydrophobicContact CB-CB 4.23Å; A192-N196 WeakPolarHBondContact CB-O 3.18Å; A192-N196 PolarHBondContact N-O 3.37Å; S193-N196 PolarHBondContact O-N 3.37Å; E194-N196 PolarHBondContact O-N 2.82Å; N196-I248 WeakPolarHBondContact CA-O 3.22Å
197I92.1Very high90.8Very high5 Ų545.4 Ų45.43%0.02625%0.254CS..EExtended strand (participates in β ladder)trans-122.4149.4168.563.7172.8000109.2S190 V199 R247 I248 E253S190-I197 WeakPolarHBondContact O-CA 3.37Å; I197-V199 HydrophobicContact CD1-CG1 4.08Å; I197-V199 HydrophobicContact CG1-CG1 4.35Å; I197-R247 WeakPolarHBondContact O-CA 3.28Å; I197-I248 HydrophobicContact CD1-CD1 4.08Å; I197-I248 HydrophobicContact CD1-CG1 4.01Å; I197-I248 HydrophobicContact CG1-CD1 4.16Å; I197-I248 HydrophobicContact CG1-CG1 3.53Å; I197-I248 PolarHBondContact N-O 3.11Å; I197-I248 PolarHBondContact O-N 3.12Å; I197-E253 HydrophobicContact CD1-CG 3.67Å
198T94.6Very high90.5Very high23 Ų2346.5 Ų46.514%0.14126%0.261CS..EExtended strand (participates in β ladder)trans-99.4122.6168.8-56.60000108.2R189 S190 A245R189-T198 WeakPolarHBondContact CA-O 3.25Å; S190-T198 PolarHBondContact N-O 2.91Å; S190-T198 PolarHBondContact O-N 3.26Å; S190-T198 PolarHBondContact OG-O 2.86Å; T198-A245 HydrophobicContact CG2-CB 4.22Å
199V95.8Very high90.4Very high0 Ų049.3 Ų49.30%027%0.265CS..EExtended strand (participates in β ladder)trans-100.8134.3174.1-66.20000109T188 I197 W215 A245 T246 I248 V271T188-V199 WeakPolarHBondContact O-CA 3.3Å; I197-V199 HydrophobicContact CD1-CG1 4.08Å; I197-V199 HydrophobicContact CG1-CG1 4.35Å; V199-W215 HydrophobicContact CB-CH2 3.67Å; V199-W215 HydrophobicContact CB-CZ2 3.65Å; V199-W215 HydrophobicContact CB-CZ3 4.45Å; V199-W215 HydrophobicContact CG2-CD2 4.15Å; V199-W215 HydrophobicContact CG2-CE3 4.25Å; V199-W215 HydrophobicContact CG2-CH2 3.6Å; V199-W215 HydrophobicContact CG2-CZ2 3.48Å; V199-W215 VanDerWaalsContact CG2-CZ2 3.48Å; V199-W215 HydrophobicContact CG2-CZ3 3.99Å; V199-A245 WeakPolarHBondContact O-CA 3.47Å; V199-A245 WeakPolarHBondContact O-CB 3.33Å; V199-T246 HydrophobicContact CG2-CG2 3.8Å; V199-T246 WeakPolarHBondContact CG2-O 3.14Å; V199-T246 PolarHBondContact N-O 3.49Å; V199-T246 PolarHBondContact O-N 3.16Å; V199-I248 HydrophobicContact CG1-CD1 3.69Å; V199-I248 HydrophobicContact CG1-CG1 4.12Å; V199-I248 HydrophobicContact CG2-CD1 4.19Å; V199-I248 HydrophobicContact CG2-CG1 4.43Å; V199-I248 HydrophobicContact CG2-CG2 4.29Å; V199-V271 HydrophobicContact CB-CG2 4.4Å; V199-V271 HydrophobicContact CG1-CG1 3.71Å; V199-V271 HydrophobicContact CG1-CG2 4.01Å
200T97.1Very high90.4Very high25 Ų2549.6 Ų49.615%0.15327%0.273CS..EExtended strand (participates in β ladder)trans-129.8120.3-177.3-55.30000109.5V187 T188 W243 A245V187-T200 WeakPolarHBondContact CA-O 3.36Å; T188-T200 PolarHBondContact N-O 3.36Å; T188-T200 PolarHBondContact O-N 2.97Å; T188-T200 PolarHBondContact OG1-O 3.45Å; T200-W243 HydrophobicContact CG2-CB 4.21Å; T200-W243 HydrophobicContact CG2-CD2 4.46Å; T200-W243 HydrophobicContact CG2-CE3 4.04Å; T200-A245 HydrophobicContact CG2-CB 4.2Å
201C97.8Very high90.6Very high0 Ų048.3 Ų48.30%026%0.261CS..EExtended strand (participates in β ladder)trans-99119.3173.3-172.60000108.4V187 W215 W243 V244 C258V187-C201 HydrophobicContact CG2-CB 4.41Å; C201-W215 HydrophobicContact CB-CZ2 3.82Å; C201-W243 CarbonylContact O-C 3.55Å; C201-W243 WeakPolarHBondContact O-CA 3.24Å; C201-W243 WeakPolarHBondContact O-CB 3.35Å; C201-V244 HydrophobicContact CB-CG1 4.06Å; C201-V244 PolarHBondContact N-O 3.17Å; C201-V244 PolarHBondContact O-N 3.14Å; C201-C258 HydrophobicContact CB-CB 3.55Å; C201-C258 WeakPolarHBondContact CB-SG 3.45Å; C201-C258 WeakPolarHBondContact SG-CB 3.39Å; C201-C258 CovalentContact SG-SG 2.03Å; C201-C258 PolarHBondContact SG-SG 2.98Å
202R97.6Very high91.1Very high93 Ų9346.5 Ų46.535%0.35125%0.254SS..EExtended strand (participates in β ladder)trans-112.6127.1179.5-178.6174.3-75.2-102.3-0.4109.1V185 N186 W243V185-R202 CarbonylContact C-O 3.56Å; V185-R202 VanDerWaalsContact CA-O 3.32Å; V185-R202 WeakPolarHBondContact CA-O 3.32Å; N186-R202 PolarHBondContact N-O 3.49Å; N186-R202 PolarHBondContact O-N 2.68Å; R202-W243 HydrophobicContact CB-CB 4.17Å; R202-W243 HydrophobicContact CG-CB 4.35Å
203A97.6Very high92.1Very high0 Ų045.3 Ų45.30%024%0.244CC..EExtended strand (participates in β ladder)trans-105.4130.8168.300000108.1P183 M184 F206 I211 L213 Q241 T242P183-A203 HydrophobicContact CB-CB 4.07Å; M184-A203 WeakPolarHBondContact O-CA 3.3Å; A203-F206 HydrophobicContact CB-CD1 4.15Å; A203-F206 HydrophobicContact CB-CE1 3.98Å; A203-I211 HydrophobicContact CB-CD1 3.68Å; A203-L213 HydrophobicContact CB-CD1 4.38Å; A203-L213 HydrophobicContact CB-CD2 4.18Å; A203-Q241 CarbonylContact O-C 3.51Å; A203-Q241 VanDerWaalsContact O-CA 3.31Å; A203-Q241 WeakPolarHBondContact O-CA 3.22Å; A203-T242 HydrophobicContact CB-CG2 4.37Å; A203-T242 PolarHBondContact N-O 3.1Å; A203-T242 PolarHBondContact O-N 3.02Å
204S96.2Very high93Very high28 Ų2842.1 Ų42.120%0.19622%0.221CC..EExtended strand (participates in β ladder)trans-139159.9-176.355.10000111.7M184 F206 Y240M184-S204 PolarHBondContact N-O 2.67Å; M184-S204 PolarHBondContact O-N 2.98Å; M184-S204 PolarHBondContact O-OG 2.93Å; S204-F206 VanDerWaalsContact C-N 3.3Å; S204-F206 PolarHBondContact O-N 3.45Å; S204-Y240 CarbonylContact C-O 3.54Å
205S94.6Very high94Very high31 Ų3133.3 Ų33.322%0.21718%0.18CC..EExtended strand (participates in β ladder)trans5638.4176.1-54.30000114.7V181 M184 D235 T239 Y240V181-S205 WeakPolarHBondContact CG1-O 3.09Å; M184-S205 WeakPolarHBondContact CE-OG 3.48Å; S205-D235 WeakPolarHBondContact CA-OD2 3.49Å; S205-D235 PolarHBondContact N-OD2 3.31Å; S205-T239 WeakPolarHBondContact CA-OG1 3.43Å; S205-Y240 PolarHBondContact N-O 2.81Å
206F94.1Very high94.8Very high0 Ų034 Ų340%017%0.169CC..EExtended strand (participates in β ladder)trans-106.7153.517961.4-90.4000113.8V181 P183 A203 S204 P208 I211 V232 T239 Y240 T242 H262V181-F206 VanDerWaalsContact O-CA 3.27Å; V181-F206 WeakPolarHBondContact O-CA 3.48Å; P183-F206 HydrophobicContact CB-CB 3.71Å; P183-F206 HydrophobicContact CB-CD1 3.98Å; P183-F206 HydrophobicContact CB-CG 4.12Å; P183-F206 HydrophobicContact CG-CB 4.38Å; A203-F206 HydrophobicContact CB-CD1 4.15Å; A203-F206 HydrophobicContact CB-CE1 3.98Å; S204-F206 VanDerWaalsContact C-N 3.3Å; S204-F206 PolarHBondContact O-N 3.45Å; F206-P208 WeakPolarHBondContact CD2-O 3.3Å; F206-I211 HydrophobicContact CD1-CD1 4.04Å; F206-I211 HydrophobicContact CD2-CB 4.35Å; F206-I211 HydrophobicContact CD2-CD1 4.19Å; F206-I211 HydrophobicContact CE1-CD1 3.94Å; F206-I211 HydrophobicContact CE1-CG2 4.47Å; F206-I211 HydrophobicContact CE2-CB 3.82Å; F206-I211 HydrophobicContact CE2-CD1 4.1Å; F206-I211 HydrophobicContact CE2-CG2 3.6Å; F206-I211 HydrophobicContact CG-CD1 4.18Å; F206-I211 HydrophobicContact CZ-CB 4.17Å; F206-I211 HydrophobicContact CZ-CD1 3.99Å; F206-I211 HydrophobicContact CZ-CG2 3.56Å; F206-V232 HydrophobicContact CE2-CG1 4.37Å; F206-V232 HydrophobicContact CZ-CG1 4.08Å; F206-T239 CarbonylContact O-C 3.51Å; F206-T239 WeakPolarHBondContact O-CA 3.4Å; F206-T239 WeakPolarHBondContact O-CB 3.42Å; F206-Y240 WeakPolarHBondContact CD1-O 3.29Å; F206-Y240 WeakPolarHBondContact CE1-O 3.46Å; F206-Y240 PolarHBondContact N-O 2.93Å; F206-Y240 VanDerWaalsContact N-O 3.17Å; F206-Y240 WeakPolarHBondContact O-CD2 3.4Å; F206-Y240 PolarHBondContact O-N 2.81Å; F206-T242 HydrophobicContact CE1-CG2 4.06Å; F206-T242 HydrophobicContact CZ-CG2 3.91Å; F206-H262 AromaticContact CD2-CD2 3.89Å; F206-H262 AromaticContact CD2-NE2 3.66Å
207Y90.4Very high95.1Very high8 Ų834.3 Ų34.33%0.03117%0.168CC..BIsolated β-bridgetrans-150.5135.6171.4179-85.1000109.2D28 Q30 R179 T180 V181 Y240 H262D28-Y207 PolarHBondContact O-OH 3.24Å; Q30-Y207 HydrophobicContact CG-CE2 3.75Å; Q30-Y207 WeakPolarHBondContact CG-OH 3.41Å; R179-Y207 HydrophobicContact CB-CD1 4.37Å; R179-Y207 HydrophobicContact CB-CE1 4.24Å; R179-Y207 HydrophobicContact CG-CD1 3.89Å; R179-Y207 HydrophobicContact CG-CE1 3.91Å; R179-Y207 WeakPolarHBondContact O-CD1 3.36Å; T180-Y207 CarbonylContact C-O 3.48Å; T180-Y207 WeakPolarHBondContact CA-O 3.5Å; V181-Y207 PolarHBondContact N-O 2.8Å; V181-Y207 PolarHBondContact O-N 2.8Å; Y207-Y240 AromaticContact CD2-CE2 3.94Å; Y207-Y240 HydrophobicContact CD2-CE2 3.94Å; Y207-Y240 HydrophobicContact CE2-CE2 4.39Å; Y207-H262 VanDerWaalsContact C-CE1 3.48Å; Y207-H262 PolarHBondContact O-CE1 2.79Å
208P90.8Very high95.3Very high40 Ų4038.7 Ų38.726%0.2619%0.192SC..SBendcis-75.1176.27.131.5-37.8000114.2F206 N210 H262 S263F206-P208 WeakPolarHBondContact CD2-O 3.3Å; P208-N210 VanDerWaalsContact C-N 3.3Å; P208-N210 PolarHBondContact O-N 3.46Å; P208-H262 PolarHBondContact O-NE2 3.37Å; P208-S263 WeakPolarHBondContact CD-OG 3.38Å
209R91.1Very high95.2Very high123 Ų12339.9 Ų39.946%0.46421%0.209SC..SBendtrans-61.4-31.9-176.5-169.9178.9-174.9-88.50.2113.9I211 V232 Y240R209-I211 PolarHBondContact O-N 2.86Å; R209-V232 HydrophobicContact CG-CG1 3.72Å; R209-V232 PolarHBondContact NH2-O 3Å; R209-Y240 HydrophobicContact CB-CD1 4.38Å; R209-Y240 HydrophobicContact CB-CD2 3.95Å; R209-Y240 HydrophobicContact CB-CE1 4.11Å; R209-Y240 HydrophobicContact CB-CE2 3.65Å; R209-Y240 HydrophobicContact CB-CG 4.31Å; R209-Y240 HydrophobicContact CG-CD1 3.91Å; R209-Y240 HydrophobicContact CG-CD2 4.31Å; R209-Y240 HydrophobicContact CG-CE1 3.82Å; R209-Y240 HydrophobicContact CG-CE2 4.24Å; R209-Y240 HydrophobicContact CG-CG 4.16Å
210N91.4Very high95.2Very high90 Ų9044.9 Ų44.948%0.48124%0.239SC..  trans-69.3120.4-176.7-714.6000110.1P208 H262P208-N210 VanDerWaalsContact C-N 3.3Å; P208-N210 PolarHBondContact O-N 3.46Å; N210-H262 PolarHBondContact O-CD2 3.35Å
211I94.8Very high95.2Very high32 Ų3246.6 Ų46.616%0.16425%0.252CS..  trans-146.8145.8177.5-171.1165.1000108.8P183 A203 F206 R209 T242 M260 H262P183-I211 HydrophobicContact CB-CD1 4.2Å; P183-I211 HydrophobicContact CG-CD1 4.17Å; A203-I211 HydrophobicContact CB-CD1 3.68Å; F206-I211 HydrophobicContact CD1-CD1 4.04Å; F206-I211 HydrophobicContact CD2-CB 4.35Å; F206-I211 HydrophobicContact CD2-CD1 4.19Å; F206-I211 HydrophobicContact CE1-CD1 3.94Å; F206-I211 HydrophobicContact CE1-CG2 4.47Å; F206-I211 HydrophobicContact CE2-CB 3.82Å; F206-I211 HydrophobicContact CE2-CD1 4.1Å; F206-I211 HydrophobicContact CE2-CG2 3.6Å; F206-I211 HydrophobicContact CG-CD1 4.18Å; F206-I211 HydrophobicContact CZ-CB 4.17Å; F206-I211 HydrophobicContact CZ-CD1 3.99Å; F206-I211 HydrophobicContact CZ-CG2 3.56Å; R209-I211 PolarHBondContact O-N 2.86Å; I211-T242 HydrophobicContact CG2-CG2 3.87Å; I211-M260 HydrophobicContact CD1-CG 4.09Å; I211-M260 HydrophobicContact CD1-SD 4.28Å; I211-M260 HydrophobicContact CG1-CG 4.35Å; I211-M260 HydrophobicContact CG1-SD 4.42Å; I211-H262 HydrophobicContact CD1-CB 4.44Å; I211-H262 HydrophobicContact CG1-CB 4.23Å
212I95.4Very high95.1Very high86 Ų8648.1 Ų48.144%0.44126%0.26SS..EExtended strand (participates in β ladder)trans-112.3128.7169.1-56.7172.5000107.1M260 E261I212-M260 CarbonylContact O-C 3.57Å; I212-M260 WeakPolarHBondContact O-CA 3.46Å; I212-E261 HydrophobicContact CB-CB 4.16Å; I212-E261 PolarHBondContact N-O 2.99Å; I212-E261 PolarHBondContact O-N 2.82Å
213L96.7Very high94.9Very high4 Ų446.7 Ų46.72%0.02126%0.264CS..EExtended strand (participates in β ladder)trans-141.1108.7-177.6-168.372000109.6A203 W229 T242 V244 C258 Y259 M260A203-L213 HydrophobicContact CB-CD1 4.38Å; A203-L213 HydrophobicContact CB-CD2 4.18Å; L213-W229 WeakPolarHBondContact O-CH2 3.19Å; L213-W229 WeakPolarHBondContact O-CZ3 3.33Å; L213-T242 HydrophobicContact CD2-CG2 4.26Å; L213-V244 HydrophobicContact CB-CG1 4.42Å; L213-V244 HydrophobicContact CD2-CB 4.36Å; L213-V244 HydrophobicContact CD2-CG1 3.86Å; L213-V244 HydrophobicContact CG-CG1 3.72Å; L213-C258 VanDerWaalsContact CD1-SG 3.54Å; L213-Y259 CarbonylContact C-O 3.48Å; L213-Y259 WeakPolarHBondContact CA-O 3.2Å; L213-M260 HydrophobicContact CD1-CB 3.75Å; L213-M260 HydrophobicContact CD1-CG 3.78Å
214T97.5Very high94.5Very high15 Ų1553 Ų539%0.09229%0.293CS..EExtended strand (participates in β ladder)trans-141.3148.3-174.7-170.30000112Q227 Y259T214-Q227 PolarHBondContact OG1-NE2 3.01Å; T214-Q227 PolarHBondContact OG1-OE1 3.19Å; T214-Y259 HydrophobicContact CG2-CD1 4.04Å; T214-Y259 PolarHBondContact N-O 3.41Å; T214-Y259 PolarHBondContact O-N 2.83Å
215W98Very high94.3Very high0 Ų058.9 Ų58.90%032%0.323CS..EExtended strand (participates in β ladder)trans-77.9139170-76.6100.9000111V187 V199 C201 L222 V244 T246 F256 C258 V271V187-W215 HydrophobicContact CG1-CH2 3.73Å; V187-W215 HydrophobicContact CG1-CZ2 4.36Å; V199-W215 HydrophobicContact CB-CH2 3.67Å; V199-W215 HydrophobicContact CB-CZ2 3.65Å; V199-W215 HydrophobicContact CB-CZ3 4.45Å; V199-W215 HydrophobicContact CG2-CD2 4.15Å; V199-W215 HydrophobicContact CG2-CE3 4.25Å; V199-W215 HydrophobicContact CG2-CH2 3.6Å; V199-W215 HydrophobicContact CG2-CZ2 3.48Å; V199-W215 VanDerWaalsContact CG2-CZ2 3.48Å; V199-W215 HydrophobicContact CG2-CZ3 3.99Å; C201-W215 HydrophobicContact CB-CZ2 3.82Å; W215-L222 HydrophobicContact CB-CD1 3.65Å; W215-L222 HydrophobicContact CB-CG 4.18Å; W215-L222 PolarHBondContact O-N 2.91Å; W215-V244 PolarHBondContact NE1-O 3.42Å; W215-T246 HydrophobicContact CB-CG2 4.08Å; W215-T246 HydrophobicContact CD2-CG2 4.03Å; W215-T246 HydrophobicContact CG-CG2 3.67Å; W215-F256 HydrophobicContact CE3-CB 4.18Å; W215-F256 HydrophobicContact CZ3-CB 4.2Å; W215-C258 HydrophobicContact CE3-CB 4.37Å; W215-C258 HydrophobicContact CH2-CB 4.27Å; W215-C258 HydrophobicContact CZ2-CB 4.5Å; W215-C258 HydrophobicContact CZ3-CB 4.2Å; W215-V271 HydrophobicContact CH2-CG2 3.77Å; W215-V271 HydrophobicContact CZ3-CG2 3.54Å
216R97.6Very high94.2Very high59 Ų5960.9 Ų60.922%0.22333%0.334CS..EExtended strand (participates in β ladder)trans-121.1134.8172.9-62.1-171.9173.7-176.76.2110.2V220 S221 F256 T257 Y259R216-V220 CarbonylContact C-O 3.57Å; R216-V220 WeakPolarHBondContact CA-O 3.48Å; R216-S221 PolarHBondContact NE-OG 3.46Å; R216-F256 WeakPolarHBondContact O-CA 3.4Å; R216-T257 PolarHBondContact N-O 3.25Å; R216-T257 PolarHBondContact O-N 2.82Å; R216-Y259 VanDerWaalsContact CZ-CG 3.46Å; R216-Y259 VanDerWaalsContact NH2-CD2 3.26Å; R216-Y259 VanDerWaalsContact NH2-CE2 3.31Å; R216-Y259 VanDerWaalsContact NH2-CG 3.3Å
217Q96.9Very high94.2Very high58 Ų5861.5 Ų61.527%0.27134%0.337SS..EExtended strand (participates in β ladder)trans-106.1122169.8-176176.8-6.400108.5G219 V220 L222 R255 F256Q217-G219 PolarHBondContact O-N 2.76Å; Q217-G219 VanDerWaalsContact O-N 3.07Å; Q217-V220 PolarHBondContact N-O 3.49Å; Q217-V220 PolarHBondContact O-N 3.1Å; Q217-L222 HydrophobicContact CB-CD2 3.97Å; Q217-R255 CarbonylContact C-O 3.56Å; Q217-R255 WeakPolarHBondContact CA-O 3.37Å; Q217-R255 HydrophobicContact CG-CB 4.49Å; Q217-F256 HydrophobicContact CB-CD1 4.1Å; Q217-F256 HydrophobicContact CB-CE1 3.71Å; Q217-F256 HydrophobicContact CB-CZ 4.12Å; Q217-F256 HydrophobicContact CG-CD1 4.48Å; Q217-F256 HydrophobicContact CG-CE1 3.92Å; Q217-F256 HydrophobicContact CG-CE2 4.24Å; Q217-F256 HydrophobicContact CG-CZ 3.78Å
218D95.4Very high94.5Very high97 Ų9766.3 Ų66.352%0.51936%0.359SS..THydrogen-bonded Turntrans50.635.1-177.5-53.9-50.6000112.9R255D218-R255 PolarHBondContact N-O 3.37Å; D218-R255 WeakPolarHBondContact OD1-CB 3.5Å; D218-R255 WeakPolarHBondContact OD1-CG 3.16Å; D218-R255 IonicContact OD1-NE 3.95Å; D218-R255 PolarHBondContact OD1-NE 3.35Å; D218-R255 IonicContact OD2-CZ 3.72Å; D218-R255 VanDerWaalsContact OD2-CZ 3.24Å; D218-R255 IonicContact OD2-NE 3.14Å; D218-R255 PolarHBondContact OD2-NE 3.12Å; D218-R255 IonicContact OD2-NH2 2.62Å; D218-R255 PolarHBondContact OD2-NH2 2.89Å
219G92.8Very high94.8Very high48 Ų4869.2 Ų69.250%0.49537%0.365SS..THydrogen-bonded Turntrans87.6-5.8-179.600000115.8Q217Q217-G219 PolarHBondContact O-N 2.76Å; Q217-G219 VanDerWaalsContact O-N 3.07Å
220V96.4Very high95Very high105 Ų10564 Ų6464%0.63635%0.35SS*.EExtended strand (participates in β ladder)trans-100.2127.8180-176.10000110.8R216 Q217 L222R216-V220 CarbonylContact C-O 3.57Å; R216-V220 WeakPolarHBondContact CA-O 3.48Å; Q217-V220 PolarHBondContact N-O 3.49Å; Q217-V220 PolarHBondContact O-N 3.1Å; V220-L222 PolarHBondContact O-N 3.33Å
221S95.8Very high95.2Very high61 Ų6165.9 Ų65.943%0.42736%0.36SS..EExtended strand (participates in β ladder)trans-60.4132177-60.70000111.7R216R216-S221 PolarHBondContact NE-OG 3.46Å
222L95.7Very high95.2Very high33 Ų3365.9 Ų65.917%0.17336%0.361CS..PPolyproline II helixtrans-66.8156.2173.5-66.9-175.6000110.9W215 Q217 V220 Q227 T246 F256W215-L222 HydrophobicContact CB-CD1 3.65Å; W215-L222 HydrophobicContact CB-CG 4.18Å; W215-L222 PolarHBondContact O-N 2.91Å; Q217-L222 HydrophobicContact CB-CD2 3.97Å; V220-L222 PolarHBondContact O-N 3.33Å; L222-Q227 HydrophobicContact CB-CG 4.05Å; L222-Q227 HydrophobicContact CD1-CG 4.35Å; L222-Q227 PolarHBondContact O-NE2 3.31Å; L222-T246 HydrophobicContact CD1-CG2 3.86Å; L222-F256 HydrophobicContact CD1-CD1 4.47Å; L222-F256 HydrophobicContact CD1-CE1 4.12Å; L222-F256 HydrophobicContact CD2-CE1 4.45Å
223S92.9Very high95.2Very high63 Ų6366.2 Ų66.244%0.44136%0.363SS..PPolyproline II helixtrans-65.1158.3173.9670000110.9D225 T226 Q227S223-D225 VanDerWaalsContact C-N 3.29Å; S223-D225 PolarHBondContact O-N 2.91Å; S223-T226 PolarHBondContact N-OG1 2.96Å; S223-T226 PolarHBondContact O-N 3.13Å; S223-T226 PolarHBondContact O-OG1 2.99Å; S223-T226 VanDerWaalsContact OG-CG2 3.31Å; S223-T226 WeakPolarHBondContact OG-CG2 3.44Å; S223-T226 PolarHBondContact OG-OG1 3.04Å; S223-Q227 PolarHBondContact O-NE2 3.48Å; S223-Q227 VanDerWaalsContact O-NE2 3.11Å
224H89.9Confident95Very high132 Ų13270.5 Ų70.561%0.61139%0.392SS*.G310 helixtrans-61.2-39.6177.3-172.3-84.2000111.8T226 Q227 W229H224-T226 VanDerWaalsContact C-N 3.3Å; H224-T226 PolarHBondContact O-N 3.3Å; H224-Q227 PolarHBondContact O-N 3.38Å; H224-Q227 VanDerWaalsContact O-N 3.16Å; H224-Q227 VanDerWaalsContact O-O 3.12Å; H224-W229 AromaticContact CD2-NE1 3.85Å; H224-W229 AromaticContact NE2-CD1 4Å; H224-W229 AromaticContact NE2-NE1 3.89Å
225D91.7Very high94.5Very high151 Ų15171.9 Ų71.981%0.80740%0.398SS*.G310 helixtrans-70.4-21.6-175.7-57.4-27.4000114.4S223 Q227S223-D225 VanDerWaalsContact C-N 3.29Å; S223-D225 PolarHBondContact O-N 2.91Å; D225-Q227 VanDerWaalsContact C-N 3.26Å
226T92.3Very high93.6Very high73 Ų7375.6 Ų75.645%0.44844%0.437SS..G310 helixtrans-86.3-1.217753.50000112.6S223 H224 T246S223-T226 PolarHBondContact N-OG1 2.96Å; S223-T226 PolarHBondContact O-N 3.13Å; S223-T226 PolarHBondContact O-OG1 2.99Å; S223-T226 VanDerWaalsContact OG-CG2 3.31Å; S223-T226 WeakPolarHBondContact OG-CG2 3.44Å; S223-T226 PolarHBondContact OG-OG1 3.04Å; H224-T226 VanDerWaalsContact C-N 3.3Å; H224-T226 PolarHBondContact O-N 3.3Å; T226-T246 PolarHBondContact O-OG1 3.26Å
227Q95.6Very high93Very high14 Ų1477.9 Ų77.97%0.06545%0.454CS..  trans-122.1147-175.3-64.6-178.690.500111T214 L222 S223 H224 D225 W229 V244 A245T214-Q227 PolarHBondContact OG1-NE2 3.01Å; T214-Q227 PolarHBondContact OG1-OE1 3.19Å; L222-Q227 HydrophobicContact CB-CG 4.05Å; L222-Q227 HydrophobicContact CD1-CG 4.35Å; L222-Q227 PolarHBondContact O-NE2 3.31Å; S223-Q227 PolarHBondContact O-NE2 3.48Å; S223-Q227 VanDerWaalsContact O-NE2 3.11Å; H224-Q227 PolarHBondContact O-N 3.38Å; H224-Q227 VanDerWaalsContact O-N 3.16Å; H224-Q227 VanDerWaalsContact O-O 3.12Å; D225-Q227 VanDerWaalsContact C-N 3.26Å; Q227-W229 HydrophobicContact CB-CZ2 4.46Å; Q227-V244 HydrophobicContact CB-CG2 4.01Å; Q227-V244 HydrophobicContact CG-CG2 4.44Å; Q227-A245 CarbonylContact C-O 3.59Å; Q227-A245 WeakPolarHBondContact CA-O 3.25Å
228Q96.3Very high92.3Very high108 Ų10876.7 Ų76.751%0.50546%0.456SS..EExtended strand (participates in β ladder)trans-110.8131.8174.2-64.5176.211.800108.6W243 V244 A245Q228-W243 HydrophobicContact CB-CH2 4.43Å; Q228-W243 HydrophobicContact CB-CZ3 4.13Å; Q228-W243 WeakPolarHBondContact O-CZ3 3.36Å; Q228-V244 CarbonylContact O-C 3.46Å; Q228-V244 VanDerWaalsContact O-CA 3.31Å; Q228-V244 WeakPolarHBondContact O-CA 3.36Å; Q228-A245 HydrophobicContact CB-CB 4.49Å; Q228-A245 PolarHBondContact N-O 3.02Å; Q228-A245 PolarHBondContact O-N 2.91Å
229W96.4Very high92.1Very high101 Ų10172.8 Ų72.838%0.38344%0.436SS..EExtended strand (participates in β ladder)trans-119.8135.3-171.7-60.879.9000110.2L213 H224 Q227 V244L213-W229 WeakPolarHBondContact O-CH2 3.19Å; L213-W229 WeakPolarHBondContact O-CZ3 3.33Å; H224-W229 AromaticContact CD2-NE1 3.85Å; H224-W229 AromaticContact NE2-CD1 4Å; H224-W229 AromaticContact NE2-NE1 3.89Å; Q227-W229 HydrophobicContact CB-CZ2 4.46Å; W229-V244 HydrophobicContact CD2-CB 4.32Å; W229-V244 HydrophobicContact CD2-CG2 3.73Å; W229-V244 HydrophobicContact CE3-CB 4.11Å; W229-V244 HydrophobicContact CE3-CG2 3.96Å; W229-V244 HydrophobicContact CG-CG2 4.32Å; W229-V244 HydrophobicContact CH2-CG2 4.16Å; W229-V244 HydrophobicContact CZ2-CG2 3.89Å; W229-V244 HydrophobicContact CZ3-CB 4.33Å; W229-V244 HydrophobicContact CZ3-CG2 4.19Å
230G95.2Very high92.2Very high14 Ų1472.8 Ų72.814%0.14442%0.421CS..  trans-86.1142.8163.500000110.6T242 W243G230-T242 PolarHBondContact O-OG1 3.43Å; G230-W243 PolarHBondContact N-O 3.46Å
231D95.2Very high92.2Very high130 Ų13070.4 Ų70.470%0.69540%0.404SS*.  trans-53.7152.6167.7-70.7-44.9000111.2L233D231-L233 HydrophobicContact CB-CD2 4.01Å; D231-L233 HydrophobicContact CB-CG 4.28Å; D231-L233 PolarHBondContact O-N 2.84Å
232V95.4Very high92.3Very high32 Ų3267.9 Ų67.919%0.19439%0.385CS..  trans-79.4102.8170.7-176.50000108.4F206 R209 Y240 Q241 T242F206-V232 HydrophobicContact CE2-CG1 4.37Å; F206-V232 HydrophobicContact CZ-CG1 4.08Å; R209-V232 HydrophobicContact CG-CG1 3.72Å; R209-V232 PolarHBondContact NH2-O 3Å; V232-Y240 HydrophobicContact CG1-CD1 4.07Å; V232-Y240 HydrophobicContact CG1-CG 4.18Å; V232-Q241 WeakPolarHBondContact CA-O 3.44Å; V232-T242 HydrophobicContact CG2-CG2 4.39Å
233L95.1Very high92.4Very high92 Ų9269.9 Ų69.948%0.48239%0.391SS..EExtended strand (participates in β ladder)trans-102.7148.3-173.9-61.9176.9000111.4D231 Y240 Q241D231-L233 HydrophobicContact CB-CD2 4.01Å; D231-L233 HydrophobicContact CB-CG 4.28Å; D231-L233 PolarHBondContact O-N 2.84Å; L233-Y240 CarbonylContact O-C 3.58Å; L233-Y240 VanDerWaalsContact O-CA 3.28Å; L233-Y240 WeakPolarHBondContact O-CA 3.34Å; L233-Q241 HydrophobicContact CB-CG 4.26Å; L233-Q241 PolarHBondContact N-O 3.16Å; L233-Q241 PolarHBondContact O-N 3.26Å
234P93.2Very high92.6Very high95 Ų9566.9 Ų66.962%0.61737%0.37SS*.EExtended strand (participates in β ladder)trans-74139174.730.4-33.9000112.1G236P234-G236 VanDerWaalsContact C-N 3.32Å
235D87Confident93Very high43 Ų4360.8 Ų60.823%0.2334%0.342CS..  trans-84.6-1.4177.1-80.6-10000113.6S205 N237 T239 Q241S205-D235 WeakPolarHBondContact CA-OD2 3.49Å; S205-D235 PolarHBondContact N-OD2 3.31Å; D235-N237 PolarHBondContact O-N 3.38Å; D235-T239 WeakPolarHBondContact CB-OG1 3.34Å; D235-T239 PolarHBondContact N-O 3.08Å; D235-T239 PolarHBondContact OD2-OG1 3.41Å; D235-Q241 VanDerWaalsContact OD1-CB 3.23Å; D235-Q241 WeakPolarHBondContact OD1-CB 3.2Å; D235-Q241 WeakPolarHBondContact OD1-CG 3.46Å; D235-Q241 PolarHBondContact OD1-NE2 3.18Å
236G79.4Confident93.2Very high78 Ų7854 Ų5480%0.80431%0.306SS*.SBendtrans80.6-13.8179.300000115.5P234P234-G236 VanDerWaalsContact C-N 3.32Å
237N84.2Confident93.3Very high108 Ų10858.3 Ų58.358%0.57831%0.314SS*.SBendtrans-101.413.6174.665.30.4000113.3D235 T239D235-N237 PolarHBondContact O-N 3.38Å; N237-T239 WeakPolarHBondContact OD1-CB 3.46Å; N237-T239 PolarHBondContact OD1-N 3.07Å; N237-T239 VanDerWaalsContact OD1-N 3.11Å; N237-T239 PolarHBondContact OD1-OG1 2.95Å
238G82.1Confident93.2Very high32 Ų3257.9 Ų57.933%0.3331%0.312SS..SBendtrans877.6-176.500000115.2
239T91.1Very high93Very high15 Ų1555.7 Ų55.79%0.09231%0.308CS..  trans-111.1178.8171.466.60000111.5V181 S205 F206 D235 N237V181-T239 HydrophobicContact CG2-CG2 4.4Å; S205-T239 WeakPolarHBondContact CA-OG1 3.43Å; F206-T239 CarbonylContact O-C 3.51Å; F206-T239 WeakPolarHBondContact O-CA 3.4Å; F206-T239 WeakPolarHBondContact O-CB 3.42Å; D235-T239 WeakPolarHBondContact CB-OG1 3.34Å; D235-T239 PolarHBondContact N-O 3.08Å; D235-T239 PolarHBondContact OD2-OG1 3.41Å; N237-T239 WeakPolarHBondContact OD1-CB 3.46Å; N237-T239 PolarHBondContact OD1-N 3.07Å; N237-T239 VanDerWaalsContact OD1-N 3.11Å; N237-T239 PolarHBondContact OD1-OG1 2.95Å
240Y94.6Very high92.7Very high48 Ų4857.7 Ų57.719%0.18832%0.316CS..EExtended strand (participates in β ladder)trans-126.4158.5-176.5-58.6-87.5000112.3S204 S205 F206 Y207 R209 V232 L233S204-Y240 CarbonylContact C-O 3.54Å; S205-Y240 PolarHBondContact N-O 2.81Å; F206-Y240 WeakPolarHBondContact CD1-O 3.29Å; F206-Y240 WeakPolarHBondContact CE1-O 3.46Å; F206-Y240 PolarHBondContact N-O 2.93Å; F206-Y240 VanDerWaalsContact N-O 3.17Å; F206-Y240 WeakPolarHBondContact O-CD2 3.4Å; F206-Y240 PolarHBondContact O-N 2.81Å; Y207-Y240 AromaticContact CD2-CE2 3.94Å; Y207-Y240 HydrophobicContact CD2-CE2 3.94Å; Y207-Y240 HydrophobicContact CE2-CE2 4.39Å; R209-Y240 HydrophobicContact CB-CD1 4.38Å; R209-Y240 HydrophobicContact CB-CD2 3.95Å; R209-Y240 HydrophobicContact CB-CE1 4.11Å; R209-Y240 HydrophobicContact CB-CE2 3.65Å; R209-Y240 HydrophobicContact CB-CG 4.31Å; R209-Y240 HydrophobicContact CG-CD1 3.91Å; R209-Y240 HydrophobicContact CG-CD2 4.31Å; R209-Y240 HydrophobicContact CG-CE1 3.82Å; R209-Y240 HydrophobicContact CG-CE2 4.24Å; R209-Y240 HydrophobicContact CG-CG 4.16Å; V232-Y240 HydrophobicContact CG1-CD1 4.07Å; V232-Y240 HydrophobicContact CG1-CG 4.18Å; L233-Y240 CarbonylContact O-C 3.58Å; L233-Y240 VanDerWaalsContact O-CA 3.28Å; L233-Y240 WeakPolarHBondContact O-CA 3.34Å
241Q96.8Very high92.3Very high56 Ų5660 Ų6026%0.26234%0.34SS..EExtended strand (participates in β ladder)trans-131.215316965.8179.7-70.900111.8A203 V232 L233 D235A203-Q241 CarbonylContact O-C 3.51Å; A203-Q241 VanDerWaalsContact O-CA 3.31Å; A203-Q241 WeakPolarHBondContact O-CA 3.22Å; V232-Q241 WeakPolarHBondContact CA-O 3.44Å; L233-Q241 HydrophobicContact CB-CG 4.26Å; L233-Q241 PolarHBondContact N-O 3.16Å; L233-Q241 PolarHBondContact O-N 3.26Å; D235-Q241 VanDerWaalsContact OD1-CB 3.23Å; D235-Q241 WeakPolarHBondContact OD1-CB 3.2Å; D235-Q241 WeakPolarHBondContact OD1-CG 3.46Å; D235-Q241 PolarHBondContact OD1-NE2 3.18Å
242T97.9Very high92.1Very high7 Ų756.8 Ų56.84%0.04332%0.32CS..EExtended strand (participates in β ladder)trans-157.4171.8170.7-1740000109.8A203 F206 I211 L213 G230 V232A203-T242 HydrophobicContact CB-CG2 4.37Å; A203-T242 PolarHBondContact N-O 3.1Å; A203-T242 PolarHBondContact O-N 3.02Å; F206-T242 HydrophobicContact CE1-CG2 4.06Å; F206-T242 HydrophobicContact CZ-CG2 3.91Å; I211-T242 HydrophobicContact CG2-CG2 3.87Å; L213-T242 HydrophobicContact CD2-CG2 4.26Å; G230-T242 PolarHBondContact O-OG1 3.43Å; V232-T242 HydrophobicContact CG2-CG2 4.39Å
243W97.8Very high91.9Very high76 Ų7656.6 Ų56.629%0.28832%0.317SS..EExtended strand (participates in β ladder)trans-152.8155.4175.958.9-88.9000111.4T200 C201 R202 Q228 G230 A245T200-W243 HydrophobicContact CG2-CB 4.21Å; T200-W243 HydrophobicContact CG2-CD2 4.46Å; T200-W243 HydrophobicContact CG2-CE3 4.04Å; C201-W243 CarbonylContact O-C 3.55Å; C201-W243 WeakPolarHBondContact O-CA 3.24Å; C201-W243 WeakPolarHBondContact O-CB 3.35Å; R202-W243 HydrophobicContact CB-CB 4.17Å; R202-W243 HydrophobicContact CG-CB 4.35Å; Q228-W243 HydrophobicContact CB-CH2 4.43Å; Q228-W243 HydrophobicContact CB-CZ3 4.13Å; Q228-W243 WeakPolarHBondContact O-CZ3 3.36Å; G230-W243 PolarHBondContact N-O 3.46Å; W243-A245 HydrophobicContact CE3-CB 4.01Å; W243-A245 HydrophobicContact CZ3-CB 3.75Å
244V98.1Very high91.8Very high0 Ų058.7 Ų58.70%032%0.324CS..EExtended strand (participates in β ladder)trans-131.9136171.668.30000109.8C201 L213 W215 Q227 Q228 W229C201-V244 HydrophobicContact CB-CG1 4.06Å; C201-V244 PolarHBondContact N-O 3.17Å; C201-V244 PolarHBondContact O-N 3.14Å; L213-V244 HydrophobicContact CB-CG1 4.42Å; L213-V244 HydrophobicContact CD2-CB 4.36Å; L213-V244 HydrophobicContact CD2-CG1 3.86Å; L213-V244 HydrophobicContact CG-CG1 3.72Å; W215-V244 PolarHBondContact NE1-O 3.42Å; Q227-V244 HydrophobicContact CB-CG2 4.01Å; Q227-V244 HydrophobicContact CG-CG2 4.44Å; Q228-V244 CarbonylContact O-C 3.46Å; Q228-V244 VanDerWaalsContact O-CA 3.31Å; Q228-V244 WeakPolarHBondContact O-CA 3.36Å; W229-V244 HydrophobicContact CD2-CB 4.32Å; W229-V244 HydrophobicContact CD2-CG2 3.73Å; W229-V244 HydrophobicContact CE3-CB 4.11Å; W229-V244 HydrophobicContact CE3-CG2 3.96Å; W229-V244 HydrophobicContact CG-CG2 4.32Å; W229-V244 HydrophobicContact CH2-CG2 4.16Å; W229-V244 HydrophobicContact CZ2-CG2 3.89Å; W229-V244 HydrophobicContact CZ3-CB 4.33Å; W229-V244 HydrophobicContact CZ3-CG2 4.19Å
245A97.1Very high91.9Very high3 Ų358.6 Ų58.63%0.02531%0.312CS..EExtended strand (participates in β ladder)trans-129.8150.6-179.100000112.2T198 V199 T200 Q227 Q228 W243T198-A245 HydrophobicContact CG2-CB 4.22Å; V199-A245 WeakPolarHBondContact O-CA 3.47Å; V199-A245 WeakPolarHBondContact O-CB 3.33Å; T200-A245 HydrophobicContact CG2-CB 4.2Å; Q227-A245 CarbonylContact C-O 3.59Å; Q227-A245 WeakPolarHBondContact CA-O 3.25Å; Q228-A245 HydrophobicContact CB-CB 4.49Å; Q228-A245 PolarHBondContact N-O 3.02Å; Q228-A245 PolarHBondContact O-N 2.91Å; W243-A245 HydrophobicContact CE3-CB 4.01Å; W243-A245 HydrophobicContact CZ3-CB 3.75Å
246T96.3Very high92.3Very high9 Ų957 Ų576%0.05530%0.303CS..EExtended strand (participates in β ladder)trans-146.9160.5170.9-166.50000110.3V199 W215 L222 T226 I248V199-T246 HydrophobicContact CG2-CG2 3.8Å; V199-T246 WeakPolarHBondContact CG2-O 3.14Å; V199-T246 PolarHBondContact N-O 3.49Å; V199-T246 PolarHBondContact O-N 3.16Å; W215-T246 HydrophobicContact CB-CG2 4.08Å; W215-T246 HydrophobicContact CD2-CG2 4.03Å; W215-T246 HydrophobicContact CG-CG2 3.67Å; L222-T246 HydrophobicContact CD1-CG2 3.86Å; T226-T246 PolarHBondContact O-OG1 3.26Å; T246-I248 HydrophobicContact CG2-CG2 3.99Å
247R94.8Very high93.2Very high164 Ų16454.7 Ų54.762%0.61927%0.273SS*.EExtended strand (participates in β ladder)trans-99131.9177.9-70.2-178.3178.3169.10.1109.2I197I197-R247 WeakPolarHBondContact O-CA 3.28Å
248I93.6Very high93.8Very high5 Ų549.6 Ų49.63%0.02625%0.246CC..EExtended strand (participates in β ladder)trans-133.2155.8-179.867.4174.3000110.7N196 I197 V199 T246 E253 F256N196-I248 WeakPolarHBondContact CA-O 3.22Å; I197-I248 HydrophobicContact CD1-CD1 4.08Å; I197-I248 HydrophobicContact CD1-CG1 4.01Å; I197-I248 HydrophobicContact CG1-CD1 4.16Å; I197-I248 HydrophobicContact CG1-CG1 3.53Å; I197-I248 PolarHBondContact N-O 3.11Å; I197-I248 PolarHBondContact O-N 3.12Å; V199-I248 HydrophobicContact CG1-CD1 3.69Å; V199-I248 HydrophobicContact CG1-CG1 4.12Å; V199-I248 HydrophobicContact CG2-CD1 4.19Å; V199-I248 HydrophobicContact CG2-CG1 4.43Å; V199-I248 HydrophobicContact CG2-CG2 4.29Å; T246-I248 HydrophobicContact CG2-CG2 3.99Å; I248-E253 HydrophobicContact CD1-CG 4.35Å; I248-F256 HydrophobicContact CB-CD2 4.13Å; I248-F256 HydrophobicContact CB-CE2 3.85Å; I248-F256 HydrophobicContact CB-CZ 4.11Å; I248-F256 HydrophobicContact CD1-CB 4.36Å; I248-F256 HydrophobicContact CD1-CD2 3.8Å; I248-F256 HydrophobicContact CD1-CE2 4.37Å; I248-F256 HydrophobicContact CD1-CG 4.15Å; I248-F256 HydrophobicContact CG2-CD1 3.72Å; I248-F256 HydrophobicContact CG2-CD2 3.78Å; I248-F256 HydrophobicContact CG2-CE1 3.52Å; I248-F256 HydrophobicContact CG2-CE2 3.6Å; I248-F256 HydrophobicContact CG2-CG 3.85Å; I248-F256 HydrophobicContact CG2-CZ 3.46Å; I248-F256 VanDerWaalsContact CG2-CZ 3.46Å
249C91.8Very high94.6Very high61 Ų6149.6 Ų49.641%0.41224%0.236SC..EExtended strand (participates in β ladder)trans-69.5137173.3-66.40000109.9G251 E252C249-G251 PolarHBondContact O-N 3.45Å; C249-E252 HydrophobicContact CB-CG 4.11Å; C249-E252 PolarHBondContact O-N 2.99Å
250R89.2Confident94.9Very high144 Ų14449.1 Ų49.154%0.54323%0.233SC..THydrogen-bonded Turntrans-60.6135.8172.6-172-176.3-72.4-175.6-2.3109.9E191 G195E191-R250 IonicContact OE1-NH2 2.65Å; E191-R250 PolarHBondContact OE1-NH2 3.39Å; E191-R250 VanDerWaalsContact OE1-NH2 3.14Å; E191-R250 IonicContact OE2-CZ 3.36Å; E191-R250 IonicContact OE2-NH2 3.82Å; E191-R250 PolarHBondContact OE2-NH2 3.1Å; G195-R250 WeakPolarHBondContact O-CB 3.29Å; G195-R250 PolarHBondContact O-N 2.79Å; G195-R250 VanDerWaalsContact O-N 3.14Å
251G87.9Confident94.9Very high63 Ų6350 Ų5065%0.64924%0.239SC*.THydrogen-bonded Turntrans95.5-13.8-17500000114.4C249 E253C249-G251 PolarHBondContact O-N 3.45Å; G251-E253 WeakPolarHBondContact CA-OE2 3.5Å; G251-E253 VanDerWaalsContact N-CD 3.31Å; G251-E253 PolarHBondContact N-OE1 3.25Å; G251-E253 VanDerWaalsContact N-OE1 3.16Å; G251-E253 PolarHBondContact N-OE2 3.25Å
252E91.4Very high94.8Very high62 Ų6247.6 Ų47.629%0.2923%0.228SC..  trans-96.68.7176-60.3-160.6123.200113.3C249 Q254 R255 F256C249-E252 HydrophobicContact CB-CG 4.11Å; C249-E252 PolarHBondContact O-N 2.99Å; E252-Q254 PolarHBondContact O-N 3.44Å; E252-Q254 VanDerWaalsContact O-N 3.08Å; E252-R255 WeakPolarHBondContact O-CB 3.46Å; E252-R255 PolarHBondContact O-N 3.29Å; E252-R255 IonicContact OE1-CZ 2.75Å; E252-R255 IonicContact OE1-NH1 3.13Å; E252-R255 PolarHBondContact OE1-NH1 2.97Å; E252-F256 HydrophobicContact CB-CE2 4.15Å; E252-F256 WeakPolarHBondContact O-CD2 3.3Å
253E91.5Very high94.4Very high27 Ų2750.3 Ų50.313%0.12625%0.247CC..G310 helixtrans-54.9-37.2-170.7-62.689.4168.700113.1I197 I248 G251 R255 F256 V271I197-E253 HydrophobicContact CD1-CG 3.67Å; I248-E253 HydrophobicContact CD1-CG 4.35Å; G251-E253 WeakPolarHBondContact CA-OE2 3.5Å; G251-E253 VanDerWaalsContact N-CD 3.31Å; G251-E253 PolarHBondContact N-OE1 3.25Å; G251-E253 VanDerWaalsContact N-OE1 3.16Å; G251-E253 PolarHBondContact N-OE2 3.25Å; E253-R255 PolarHBondContact O-N 2.9Å; E253-F256 PolarHBondContact O-N 3.03Å; E253-F256 VanDerWaalsContact O-N 3.13Å; E253-V271 HydrophobicContact CB-CB 4.04Å; E253-V271 HydrophobicContact CB-CG1 3.84Å; E253-V271 HydrophobicContact CG-CG1 4.01Å
254Q91.8Very high93.9Very high136 Ų13649.4 Ų49.464%0.63626%0.261SS*.G310 helixtrans-67.2-19.9-179.4-66.6-64.1-25.600113.8E252 F256 S273E252-Q254 PolarHBondContact O-N 3.44Å; E252-Q254 VanDerWaalsContact O-N 3.08Å; Q254-F256 VanDerWaalsContact C-N 3.29Å; Q254-S273 PolarHBondContact NE2-OG 3.39Å
255R95.1Very high93.6Very high93 Ų9354 Ų5435%0.35129%0.286SS..G310 helixtrans-78.8-17.7176.4-61179.266.2-172.62.9112Q217 D218 E252 E253Q217-R255 CarbonylContact C-O 3.56Å; Q217-R255 WeakPolarHBondContact CA-O 3.37Å; Q217-R255 HydrophobicContact CG-CB 4.49Å; D218-R255 PolarHBondContact N-O 3.37Å; D218-R255 WeakPolarHBondContact OD1-CB 3.5Å; D218-R255 WeakPolarHBondContact OD1-CG 3.16Å; D218-R255 IonicContact OD1-NE 3.95Å; D218-R255 PolarHBondContact OD1-NE 3.35Å; D218-R255 IonicContact OD2-CZ 3.72Å; D218-R255 VanDerWaalsContact OD2-CZ 3.24Å; D218-R255 IonicContact OD2-NE 3.14Å; D218-R255 PolarHBondContact OD2-NE 3.12Å; D218-R255 IonicContact OD2-NH2 2.62Å; D218-R255 PolarHBondContact OD2-NH2 2.89Å; E252-R255 WeakPolarHBondContact O-CB 3.46Å; E252-R255 PolarHBondContact O-N 3.29Å; E252-R255 IonicContact OE1-CZ 2.75Å; E252-R255 IonicContact OE1-NH1 3.13Å; E252-R255 PolarHBondContact OE1-NH1 2.97Å; E253-R255 PolarHBondContact O-N 2.9Å
256F96.3Very high93.5Very high9 Ų959.5 Ų59.54%0.03931%0.311CS..EExtended strand (participates in β ladder)trans-105.2133.9-173.8-69.6-91.8000112W215 R216 Q217 L222 I248 E252 E253 Q254 V271W215-F256 HydrophobicContact CE3-CB 4.18Å; W215-F256 HydrophobicContact CZ3-CB 4.2Å; R216-F256 WeakPolarHBondContact O-CA 3.4Å; Q217-F256 HydrophobicContact CB-CD1 4.1Å; Q217-F256 HydrophobicContact CB-CE1 3.71Å; Q217-F256 HydrophobicContact CB-CZ 4.12Å; Q217-F256 HydrophobicContact CG-CD1 4.48Å; Q217-F256 HydrophobicContact CG-CE1 3.92Å; Q217-F256 HydrophobicContact CG-CE2 4.24Å; Q217-F256 HydrophobicContact CG-CZ 3.78Å; L222-F256 HydrophobicContact CD1-CD1 4.47Å; L222-F256 HydrophobicContact CD1-CE1 4.12Å; L222-F256 HydrophobicContact CD2-CE1 4.45Å; I248-F256 HydrophobicContact CB-CD2 4.13Å; I248-F256 HydrophobicContact CB-CE2 3.85Å; I248-F256 HydrophobicContact CB-CZ 4.11Å; I248-F256 HydrophobicContact CD1-CB 4.36Å; I248-F256 HydrophobicContact CD1-CD2 3.8Å; I248-F256 HydrophobicContact CD1-CE2 4.37Å; I248-F256 HydrophobicContact CD1-CG 4.15Å; I248-F256 HydrophobicContact CG2-CD1 3.72Å; I248-F256 HydrophobicContact CG2-CD2 3.78Å; I248-F256 HydrophobicContact CG2-CE1 3.52Å; I248-F256 HydrophobicContact CG2-CE2 3.6Å; I248-F256 HydrophobicContact CG2-CG 3.85Å; I248-F256 HydrophobicContact CG2-CZ 3.46Å; I248-F256 VanDerWaalsContact CG2-CZ 3.46Å; E252-F256 HydrophobicContact CB-CE2 4.15Å; E252-F256 WeakPolarHBondContact O-CD2 3.3Å; E253-F256 PolarHBondContact O-N 3.03Å; E253-F256 VanDerWaalsContact O-N 3.13Å; Q254-F256 VanDerWaalsContact C-N 3.29Å; F256-V271 HydrophobicContact CB-CG2 3.92Å
257T97.4Very high93.5Very high31 Ų3160.6 Ų60.619%0.1932%0.318CS..EExtended strand (participates in β ladder)trans-137.2143.717555.50000110.2R216 I268R216-T257 PolarHBondContact N-O 3.25Å; R216-T257 PolarHBondContact O-N 2.82Å; T257-I268 HydrophobicContact CG2-CG2 3.87Å
258C97.9Very high93.6Very high0 Ų057.8 Ų57.80%032%0.315CS..EExtended strand (participates in β ladder)trans-88.3116170.4176.20000109.2V187 C201 L213 W215 I268 H269V187-C258 HydrophobicContact CG2-CB 4.34Å; C201-C258 HydrophobicContact CB-CB 3.55Å; C201-C258 WeakPolarHBondContact CB-SG 3.45Å; C201-C258 WeakPolarHBondContact SG-CB 3.39Å; C201-C258 CovalentContact SG-SG 2.03Å; C201-C258 PolarHBondContact SG-SG 2.98Å; L213-C258 VanDerWaalsContact CD1-SG 3.54Å; W215-C258 HydrophobicContact CE3-CB 4.37Å; W215-C258 HydrophobicContact CH2-CB 4.27Å; W215-C258 HydrophobicContact CZ2-CB 4.5Å; W215-C258 HydrophobicContact CZ3-CB 4.2Å; C258-I268 CarbonylContact O-C 3.57Å; C258-I268 WeakPolarHBondContact O-CA 3.25Å; C258-H269 HydrophobicContact CB-CB 4.25Å; C258-H269 PolarHBondContact N-O 3.45Å; C258-H269 PolarHBondContact O-N 3.31Å
259Y97.7Very high93.7Very high32 Ų3260 Ų6013%0.12533%0.325CS..EExtended strand (participates in β ladder)trans-88.5130.2171.1174.4-95000109.7L213 T214 R216 E261 H266 I268L213-Y259 CarbonylContact C-O 3.48Å; L213-Y259 WeakPolarHBondContact CA-O 3.2Å; T214-Y259 HydrophobicContact CG2-CD1 4.04Å; T214-Y259 PolarHBondContact N-O 3.41Å; T214-Y259 PolarHBondContact O-N 2.83Å; R216-Y259 VanDerWaalsContact CZ-CG 3.46Å; R216-Y259 VanDerWaalsContact NH2-CD2 3.26Å; R216-Y259 VanDerWaalsContact NH2-CE2 3.31Å; R216-Y259 VanDerWaalsContact NH2-CG 3.3Å; Y259-E261 HydrophobicContact CE1-CB 3.86Å; Y259-E261 PolarHBondContact OH-OE2 3.42Å; Y259-H266 HydrophobicContact CE2-CB 4.06Å; Y259-I268 HydrophobicContact CD2-CG1 4.34Å
260M97.1Very high93.9Very high6 Ų661 Ų613%0.0333%0.331CS..EExtended strand (participates in β ladder)trans-126.4133.4176.2-174.8-77.8-64.500109.5P183 V185 I211 I212 L213 H262 H266 S267P183-M260 HydrophobicContact CG-CE 3.42Å; P183-M260 VanDerWaalsContact CG-CE 3.42Å; P183-M260 HydrophobicContact CG-CG 4.27Å; P183-M260 HydrophobicContact CG-SD 3.53Å; P183-M260 VanDerWaalsContact CG-SD 3.53Å; V185-M260 HydrophobicContact CG2-CE 4.39Å; V185-M260 HydrophobicContact CG2-CG 4.24Å; I211-M260 HydrophobicContact CD1-CG 4.09Å; I211-M260 HydrophobicContact CD1-SD 4.28Å; I211-M260 HydrophobicContact CG1-CG 4.35Å; I211-M260 HydrophobicContact CG1-SD 4.42Å; I212-M260 CarbonylContact O-C 3.57Å; I212-M260 WeakPolarHBondContact O-CA 3.46Å; L213-M260 HydrophobicContact CD1-CB 3.75Å; L213-M260 HydrophobicContact CD1-CG 3.78Å; M260-H262 HydrophobicContact CE-CB 4.48Å; M260-H262 HydrophobicContact SD-CB 3.49Å; M260-H262 WeakPolarHBondContact SD-CB 3.44Å; M260-H266 CarbonylContact O-C 3.55Å; M260-H266 VanDerWaalsContact O-CA 3.27Å; M260-H266 WeakPolarHBondContact O-CA 3.37Å; M260-S267 WeakPolarHBondContact CE-OG 3.38Å; M260-S267 PolarHBondContact N-O 3.07Å; M260-S267 PolarHBondContact O-N 2.95Å
261E96.2Very high94.1Very high65 Ų6554.4 Ų54.430%0.30431%0.306SS..EExtended strand (participates in β ladder)trans-128.3126.2168.6-175.7-173.614100110.2I212 Y259 N265I212-E261 HydrophobicContact CB-CB 4.16Å; I212-E261 PolarHBondContact N-O 2.99Å; I212-E261 PolarHBondContact O-N 2.82Å; Y259-E261 HydrophobicContact CE1-CB 3.86Å; Y259-E261 PolarHBondContact OH-OE2 3.42Å; E261-N265 CarbonylContact C-O 3.59Å; E261-N265 VanDerWaalsContact CA-O 3.3Å; E261-N265 WeakPolarHBondContact CA-O 3.22Å
262H94.6Very high94Very high6 Ų654.1 Ų54.13%0.02829%0.293CS..EExtended strand (participates in β ladder)trans-145.7123.6-179.4-178.4-101.9000110V181 P183 F206 Y207 P208 N210 I211 M260 G264 N265V181-H262 PolarHBondContact O-CE1 3.35Å; P183-H262 HydrophobicContact CG-CB 4.09Å; F206-H262 AromaticContact CD2-CD2 3.89Å; F206-H262 AromaticContact CD2-NE2 3.66Å; Y207-H262 VanDerWaalsContact C-CE1 3.48Å; Y207-H262 PolarHBondContact O-CE1 2.79Å; P208-H262 PolarHBondContact O-NE2 3.37Å; N210-H262 PolarHBondContact O-CD2 3.35Å; I211-H262 HydrophobicContact CD1-CB 4.44Å; I211-H262 HydrophobicContact CG1-CB 4.23Å; M260-H262 HydrophobicContact CE-CB 4.48Å; M260-H262 HydrophobicContact SD-CB 3.49Å; M260-H262 WeakPolarHBondContact SD-CB 3.44Å; H262-G264 PolarHBondContact O-N 3.45Å; H262-N265 PolarHBondContact N-O 2.88Å; H262-N265 WeakPolarHBondContact O-CB 3.38Å; H262-N265 PolarHBondContact O-N 2.97Å
263S89.3Confident93Very high65 Ų6554.9 Ų54.946%0.45531%0.305SS..THydrogen-bonded Turntrans53.138.6178.6-47.60000114.1P208 N265P208-S263 WeakPolarHBondContact CD-OG 3.38Å; S263-N265 PolarHBondContact O-N 3.46Å
264G87.4Confident91.6Very high56 Ų5655.6 Ų55.658%0.57732%0.32SS*.THydrogen-bonded Turntrans76.6-0.6-177.400000115.1H262 H266H262-G264 PolarHBondContact O-N 3.45Å; G264-H266 PolarHBondContact O-CD2 3.05Å; G264-H266 PolarHBondContact O-NE2 3.43Å
265N92.1Very high89.1Confident97 Ų9758.7 Ų58.752%0.51933%0.331SS..EExtended strand (participates in β ladder)trans-94.7133.3171-171.914.1000110E261 H262 S263E261-N265 CarbonylContact C-O 3.59Å; E261-N265 VanDerWaalsContact CA-O 3.3Å; E261-N265 WeakPolarHBondContact CA-O 3.22Å; H262-N265 PolarHBondContact N-O 2.88Å; H262-N265 WeakPolarHBondContact O-CB 3.38Å; H262-N265 PolarHBondContact O-N 2.97Å; S263-N265 PolarHBondContact O-N 3.46Å
266H95.2Very high86.7Confident119 Ų11959.1 Ų59.155%0.55134%0.344SS*.EExtended strand (participates in β ladder)trans-121.4136.7-17918.185000111.1Y259 M260 G264Y259-H266 HydrophobicContact CE2-CB 4.06Å; M260-H266 CarbonylContact O-C 3.55Å; M260-H266 VanDerWaalsContact O-CA 3.27Å; M260-H266 WeakPolarHBondContact O-CA 3.37Å; G264-H266 PolarHBondContact O-CD2 3.05Å; G264-H266 PolarHBondContact O-NE2 3.43Å
267S95.8Very high83.6Confident31 Ų3166.8 Ų66.822%0.21738%0.384CS..EExtended strand (participates in β ladder)trans-141.2155-179.667.30000111.4M260 H269M260-S267 WeakPolarHBondContact CE-OG 3.38Å; M260-S267 PolarHBondContact N-O 3.07Å; M260-S267 PolarHBondContact O-N 2.95Å; S267-H269 PolarHBondContact OG-NE2 3.03Å
268I96.6Very high80.5Confident106 Ų10670.1 Ų70.154%0.54440%0.404SS..EExtended strand (participates in β ladder)trans-126.1126.9-177.7-58.7175.6000107.9T257 C258 Y259T257-I268 HydrophobicContact CG2-CG2 3.87Å; C258-I268 CarbonylContact O-C 3.57Å; C258-I268 WeakPolarHBondContact O-CA 3.25Å; Y259-I268 HydrophobicContact CD2-CG1 4.34Å
269H96.4Very high77.3Confident50 Ų5078 Ų7823%0.23145%0.446CS..EExtended strand (participates in β ladder)trans-119.2112.6-176.4-59.5-88.6000110.2V185 V187 C258 S267V185-H269 HydrophobicContact CG1-CB 4.31Å; V187-H269 HydrophobicContact CG2-CB 3.66Å; C258-H269 HydrophobicContact CB-CB 4.25Å; C258-H269 PolarHBondContact N-O 3.45Å; C258-H269 PolarHBondContact O-N 3.31Å; S267-H269 PolarHBondContact OG-NE2 3.03Å
270P95.3Very high74Confident84 Ų8483.3 Ų83.355%0.54547%0.472SS..EExtended strand (participates in β ladder)trans-73.4156.8-179.330.3-34.4000112.2
271V93.2Very high70.8Confident4 Ų487 Ų872%0.02450%0.498CS..PPolyproline II helixtrans-68.8126.8171.7-178.70000109.4V199 W215 E253 F256 S273V199-V271 HydrophobicContact CB-CG2 4.4Å; V199-V271 HydrophobicContact CG1-CG1 3.71Å; V199-V271 HydrophobicContact CG1-CG2 4.01Å; W215-V271 HydrophobicContact CH2-CG2 3.77Å; W215-V271 HydrophobicContact CZ3-CG2 3.54Å; E253-V271 HydrophobicContact CB-CB 4.04Å; E253-V271 HydrophobicContact CB-CG1 3.84Å; E253-V271 HydrophobicContact CG-CG1 4.01Å; F256-V271 HydrophobicContact CB-CG2 3.92Å; V271-S273 PolarHBondContact O-N 3.42Å
272P86.1Confident67.5Low58 Ų5891.1 Ų91.138%0.37752%0.517SS..PPolyproline II helixtrans-64.7124.8178.723.6-31.1000111.1
273S69.9Low64.3Low78 Ų78101.7 Ų101.755%0.54556%0.557SS.*PPolyproline II helixtrans-72.8127.3173.2-66.10000110.3Q254 V271 K275Q254-S273 PolarHBondContact NE2-OG 3.39Å; V271-S273 PolarHBondContact O-N 3.42Å; S273-K275 PolarHBondContact O-N 3.47Å
274G61.7Low61.5Low42 Ų42106 Ų10643%0.43357%0.57SS.*PPolyproline II helixtrans-68.1120.6-171.900000115.5
275K41.1Very low58.9Low201 Ų201109.2 Ų109.287%0.87458%0.578SS**  -121.8126.5107.8-76.4-175.1174.6176.80108S273 L277S273-K275 PolarHBondContact O-N 3.47Å; K275-L277 PolarHBondContact O-N 2.86Å
276V42.8Very low56.1Low101 Ų101113.2 Ų113.261%0.61259%0.592SS**  trans-63.3115.6166.8-179.10000105.8V278V276-V278 HydrophobicContact CB-CG2 4.33Å; V276-V278 HydrophobicContact CG1-CG2 3.73Å; V276-V278 PolarHBondContact O-N 2.9Å
277L32.2Very low53Low170 Ų170116 Ų11689%0.8960%0.604SS**  trans-69.985.2159.3-84.6163.5000106.1K275 L279K275-L277 PolarHBondContact O-N 2.86Å; L277-L279 PolarHBondContact O-N 3.02Å; L277-L279 VanDerWaalsContact O-N 3.11Å
278V31.8Very low50.1Low101 Ų101120.9 Ų120.961%0.61263%0.633SS**  trans-63.8109.6158.7179.50000104V276 Q280V276-V278 HydrophobicContact CB-CG2 4.33Å; V276-V278 HydrophobicContact CG1-CG2 3.73Å; V276-V278 PolarHBondContact O-N 2.9Å; V278-Q280 HydrophobicContact CG1-CG 4.12Å; V278-Q280 PolarHBondContact O-N 3.28Å
279L31Very low46.9Very low166 Ų166120.9 Ų120.987%0.86964%0.642SS**  trans-66.783.8165.3-131.8129.7000105.6L277 S281L277-L279 PolarHBondContact O-N 3.02Å; L277-L279 VanDerWaalsContact O-N 3.11Å; L279-S281 VanDerWaalsContact C-N 3.29Å; L279-S281 PolarHBondContact O-N 3.34Å
280Q27.5Very low43.9Very low143 Ų143123.2 Ų123.267%0.66867%0.67SS**  trans-64.598.8167.7-96.2-179.2-3600105.6V278 H282V278-Q280 HydrophobicContact CG1-CG 4.12Å; V278-Q280 PolarHBondContact O-N 3.28Å; Q280-H282 PolarHBondContact O-N 2.85Å
281S30.8Very low41Very low84 Ų84125.9 Ų125.959%0.58769%0.685SS**  trans-62.487.8162.757.20000107.5L279 W283L279-S281 VanDerWaalsContact C-N 3.29Å; L279-S281 PolarHBondContact O-N 3.34Å; S281-W283 VanDerWaalsContact C-N 3.27Å; S281-W283 PolarHBondContact O-N 3.1Å
282H26.6Very low38.1Very low151 Ų151130.4 Ų130.470%0.69972%0.723SS**  trans-67.393.2164.1-89.7-81.6000107.3Q280 Q284Q280-H282 PolarHBondContact O-N 2.85Å; H282-Q284 VanDerWaalsContact C-N 3.28Å; H282-Q284 PolarHBondContact O-N 3.08Å
283W28.6Very low35.6Very low228 Ų228132.6 Ų132.686%0.86475%0.746SS**  trans-67.194.9159.8-70.386.1000106.8S281 T285S281-W283 VanDerWaalsContact C-N 3.27Å; S281-W283 PolarHBondContact O-N 3.1Å; W283-T285 PolarHBondContact O-N 3.44Å; W283-T285 VanDerWaalsContact O-N 3.13Å
284Q30Very low33.9Very low155 Ų155132.7 Ų132.772%0.72476%0.758SS**  trans-65.9108.3162.9-80.4179.1-20.300107.2H282 F286H282-Q284 VanDerWaalsContact C-N 3.28Å; H282-Q284 PolarHBondContact O-N 3.08Å; Q284-F286 PolarHBondContact O-N 3.29Å
285T32.4Very low32.5Very low124 Ų124136.5 Ų136.576%0.76178%0.777SS**  trans-62.5102167.126.20000108.7W283 H287W283-T285 PolarHBondContact O-N 3.44Å; W283-T285 VanDerWaalsContact O-N 3.13Å; T285-H287 PolarHBondContact O-N 3.31Å
286F33.2Very low32.1Very low181 Ų181132.2 Ų132.279%0.79477%0.771SS**  trans-68.4108.8165.8-79.2-85.7000108.7Q284 V288Q284-F286 PolarHBondContact O-N 3.29Å; F286-V288 PolarHBondContact O-N 2.82Å; F286-V288 VanDerWaalsContact O-N 3.14Å
287H30.5Very low31.4Very low177 Ų177136.7 Ų136.782%0.81978%0.779SS**  trans-68.2103.5164.4-85.1-75.2000108.8T285 S289T285-H287 PolarHBondContact O-N 3.31Å; H287-S289 PolarHBondContact O-N 3.47Å
288V33.6Very low31.4Very low134 Ų134136.8 Ų136.881%0.81277%0.772SS**  trans-77.1108.6167.4-178.40000107.8F286 A290F286-V288 PolarHBondContact O-N 2.82Å; F286-V288 VanDerWaalsContact O-N 3.14Å; V288-A290 PolarHBondContact O-N 3.21Å
289S30.8Very low31.4Very low107 Ų107136.8 Ų136.875%0.74878%0.775SS**  trans-76.8113.4168.9-8.40000108.2H287 V291H287-S289 PolarHBondContact O-N 3.47Å; S289-V291 PolarHBondContact O-N 2.7Å
290A32.4Very low31.4Very low99 Ų99137.6 Ų137.682%0.81877%0.768SS**  trans-69.9120.8172.100000109.8V288V288-A290 PolarHBondContact O-N 3.21Å
291V34.9Very low31.5Very low140 Ų140138.8 Ų138.885%0.84877%0.768SS**  trans-107.6111.3163.6178.80000107.4S289S289-V291 PolarHBondContact O-N 2.7Å
292A32.7Very low31.6Very low99 Ų99145 Ų14582%0.81878%0.78SS**  trans-102117.9173.200000109.6
293A34.2Very low31.9Very low104 Ų104146.5 Ų146.586%0.8679%0.785SS**  trans-175.3132157.200000106.1
294G32.5Very low32.1Very low79 Ų79143 Ų14381%0.81478%0.782SS**  cis-176.9160.28.400000107.1
295C32.8Very low32.1Very low123 Ų123140.9 Ų140.983%0.83178%0.783SS**  trans-69.4146.8-162.7-71.50000117.6
296C32Very low32.8Very low111 Ų111140.1 Ų140.175%0.7578%0.78SS**  68150.1129.4-65.20000124.2
297Y29.5Very low32.9Very low194 Ų194138.8 Ų138.876%0.76178%0.78SS**  trans87.2134161.5-86.2-77.5000117.2
298F32Very low33.3Very low173 Ų173141.9 Ų141.976%0.75980%0.802SS**  cis-148.1129.417.8-106.3-91.5000107.3
299C31.5Very low33.3Very low100 Ų100142.3 Ų142.368%0.67680%0.801SS**  58127.894.4-94.80000119.2
300Y30.4Very low33.4Very low183 Ų183144.1 Ų144.172%0.71880%0.804SS**  trans100.3113.4141.4-94.4-117.5000122.1
301Y30.6Very low33.4Very low168 Ų168146.6 Ų146.666%0.65980%0.803SS**  trans61.3121.3135.2-83.1-115.8000120.5
302Y33.4Very low33.4Very low214 Ų214147 Ų14784%0.83980%0.801SS**  -175.9141.394-110.9-87000112.5
303F32.7Very low33.4Very low183 Ų183150 Ų15080%0.80380%0.8SS**  trans-65.3166169.9-115.5-104000112.8
304L31.8Very low33.3Very low156 Ų156153.1 Ų153.182%0.81780%0.796SS**  trans97.9109.3153.5-70140.4000119.6
305C30.4Very low33.4Very low110 Ų110158.4 Ų158.474%0.74379%0.794SS**  trans-21.5157.4134.9-121.40000114.5
306P47.6Very low33.5Very low108 Ų108161.1 Ų161.170%0.70179%0.791SS**  -153.9162.556.136.6-13.5000119.6
307L35.7Very low33.6Very low152 Ų152165.3 Ų165.380%0.79680%0.795SS**  trans43.5120.2135.3-68.2152.5000121.2
308L37.4Very low33.9Very low242 Ų242162.6 Ų162.6100%1.26780%0.798SS**  -161.50102.2-107.2154.7000110.6

Retrieved 308 of 308 residues in 171.3 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).