A0A087XLV6_POEFO Loading...

Protein AAR2 homolog

Component of the U5 snRNP complex that is required for spliceosome assembly and for pre-mRNA splicing.

AlphaFold DB (A0A3B3VA74), UniProt , Accession A0A087XLV6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 387 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M32.9Very low55.4Low251 Ų251111.4 Ų111.4100%1.23671%0.706SS**  089.90-74.8-154.3-97.300108.2
2A30.3Very low58.6Low100 Ų100110.9 Ų110.983%0.82670%0.695SS**  trans-100.3120.4166.400000105.7S4A2-S4 PolarHBondContact O-N 2.78Å
3G30.8Very low61.3Low77 Ų77106.8 Ų106.879%0.79467%0.668SS**  trans-57.9120.817600000108.8S5G3-S5 PolarHBondContact O-N 3.06Å
4S38.9Very low63.6Low114 Ų114100.8 Ų100.880%0.79763%0.633SS**  trans-52114.3162176.20000106.6A2 C6A2-S4 PolarHBondContact O-N 2.78Å; S4-C6 PolarHBondContact O-N 3.01Å
5S40.8Very low65.6Low100 Ų100100.4 Ų100.470%0.69962%0.624SS**  trans-65.386.1164.656.40000106.1G3 V7G3-S5 PolarHBondContact O-N 3.06Å; S5-V7 PolarHBondContact O-N 3.18Å
6C44.6Very low67.4Low109 Ų109103.8 Ų103.874%0.73662%0.622SS**  trans-52.2110.5164.3-173.70000105.2S4 D8S4-C6 PolarHBondContact O-N 3.01Å; C6-D8 PolarHBondContact O-N 3.24Å
7V56.8Low69.1Low74 Ų74100.1 Ų100.145%0.44860%0.598SS.*  trans-60.2113.1173.2-178.80000104.7S5 M9S5-V7 PolarHBondContact O-N 3.18Å; V7-M9 PolarHBondContact O-N 3.12Å
8D67.6Low70.6Confident166 Ų16695.8 Ų95.889%0.88857%0.57SS**  trans-71.478.4179.8-147.25.5000107C6C6-D8 PolarHBondContact O-N 3.24Å
9M83.4Confident71.8Confident51 Ų5195.6 Ų95.625%0.25156%0.563SS.*  trans-85.4131.2179.7-176.7-179-69.700108.2V7 V13 A14 L17 Y132V7-M9 PolarHBondContact O-N 3.12Å; M9-V13 HydrophobicContact CG-CB 4.37Å; M9-V13 HydrophobicContact CG-CG1 4.23Å; M9-V13 HydrophobicContact SD-CG1 4.31Å; M9-A14 HydrophobicContact CG-CB 4.22Å; M9-A14 HydrophobicContact SD-CB 3.77Å; M9-L17 HydrophobicContact CE-CD1 3.87Å; M9-L17 HydrophobicContact SD-CD1 3.73Å; M9-Y132 HydrophobicContact CE-CD2 3.61Å; M9-Y132 HydrophobicContact CE-CE2 4.12Å; M9-Y132 HydrophobicContact CE-CG 4.25Å
10D91.8Very high73Confident85 Ų8595.2 Ų95.246%0.45556%0.555SS.*  trans-52.4129.1174.3177.5-91.1000110.8D12 V13 A14D10-D12 VanDerWaalsContact C-N 3.28Å; D10-D12 PolarHBondContact O-N 2.99Å; D10-D12 WeakPolarHBondContact OD1-CB 3.41Å; D10-D12 PolarHBondContact OD1-N 2.97Å; D10-V13 HydrophobicContact CB-CB 4.13Å; D10-V13 HydrophobicContact CB-CG2 3.89Å; D10-V13 WeakPolarHBondContact O-CB 3.36Å; D10-V13 PolarHBondContact O-N 2.9Å; D10-V13 PolarHBondContact OD1-N 2.97Å; D10-V13 VanDerWaalsContact OD1-N 3.12Å; D10-A14 PolarHBondContact O-N 3.07Å
11P91.9Very high74.1Confident98 Ų9890.9 Ų90.964%0.63653%0.531SS*.Hα-helixtrans-57.9-35-175.4-27.835.3000114.5V13 A14 L15P11-V13 VanDerWaalsContact C-N 3.35Å; P11-A14 PolarHBondContact O-N 3.36Å; P11-L15 PolarHBondContact O-N 2.76Å
12D93.8Very high77.3Confident106 Ų10678.9 Ų78.957%0.56747%0.472SS*.Hα-helixtrans-73.9-31179.3-66-27.8000111.2D10 R16D10-D12 VanDerWaalsContact C-N 3.28Å; D10-D12 PolarHBondContact O-N 2.99Å; D10-D12 WeakPolarHBondContact OD1-CB 3.41Å; D10-D12 PolarHBondContact OD1-N 2.97Å; D12-R16 WeakPolarHBondContact O-CG 3.38Å; D12-R16 PolarHBondContact O-N 3.43Å; D12-R16 PolarHBondContact O-NE 3.19Å
13V93.8Very high80.5Confident58 Ų5874.2 Ų74.235%0.35243%0.433SS..Hα-helixtrans-68-46.8169.8176.50000110.1M9 D10 P11 L15 R16 L17M9-V13 HydrophobicContact CG-CB 4.37Å; M9-V13 HydrophobicContact CG-CG1 4.23Å; M9-V13 HydrophobicContact SD-CG1 4.31Å; D10-V13 HydrophobicContact CB-CB 4.13Å; D10-V13 HydrophobicContact CB-CG2 3.89Å; D10-V13 WeakPolarHBondContact O-CB 3.36Å; D10-V13 PolarHBondContact O-N 2.9Å; D10-V13 PolarHBondContact OD1-N 2.97Å; D10-V13 VanDerWaalsContact OD1-N 3.12Å; P11-V13 VanDerWaalsContact C-N 3.35Å; V13-L15 VanDerWaalsContact C-N 3.32Å; V13-L15 PolarHBondContact O-N 3.28Å; V13-R16 PolarHBondContact O-N 3.16Å; V13-L17 HydrophobicContact CG1-CD1 3.78Å; V13-L17 HydrophobicContact CG1-CG 4.16Å; V13-L17 WeakPolarHBondContact O-CG 3.37Å; V13-L17 PolarHBondContact O-N 2.85Å
14A93.2Very high83.7Confident22 Ų2270.6 Ų70.618%0.18240%0.395CS..Hα-helixtrans-58.9-43.1179.200000111.9M9 D10 P11 L17 F18 M53M9-A14 HydrophobicContact CG-CB 4.22Å; M9-A14 HydrophobicContact SD-CB 3.77Å; D10-A14 PolarHBondContact O-N 3.07Å; P11-A14 PolarHBondContact O-N 3.36Å; A14-L17 PolarHBondContact O-N 3.38Å; A14-F18 WeakPolarHBondContact O-CB 3.32Å; A14-F18 PolarHBondContact O-N 3.28Å; A14-M53 HydrophobicContact CB-CE 4.27Å; A14-M53 WeakPolarHBondContact O-CE 3.34Å
15L93.7Very high86.5Confident95 Ų9565.1 Ų65.150%0.49736%0.357SS..Hα-helixtrans-61-46.4176.4-174.365.2000111.7P11 V13 L17 F18 E19P11-L15 PolarHBondContact O-N 2.76Å; V13-L15 VanDerWaalsContact C-N 3.32Å; V13-L15 PolarHBondContact O-N 3.28Å; L15-L17 PolarHBondContact O-N 3.26Å; L15-F18 WeakPolarHBondContact O-CB 3.36Å; L15-F18 PolarHBondContact O-N 3.47Å; L15-E19 WeakPolarHBondContact O-CG 3.49Å; L15-E19 PolarHBondContact O-N 3.06Å
16R94.9Very high89.2Confident155 Ų15560.4 Ų60.459%0.58532%0.324SS*.Hα-helixtrans-62.8-41.9177.6-78.5-173.4-85.3-170.5-7112.3D12 V13 F18 E19 E20D12-R16 WeakPolarHBondContact O-CG 3.38Å; D12-R16 PolarHBondContact O-N 3.43Å; D12-R16 PolarHBondContact O-NE 3.19Å; V13-R16 PolarHBondContact O-N 3.16Å; R16-F18 VanDerWaalsContact C-N 3.31Å; R16-F18 PolarHBondContact O-N 3.28Å; R16-E19 PolarHBondContact O-N 3.31Å; R16-E20 WeakPolarHBondContact O-CB 3.47Å; R16-E20 WeakPolarHBondContact O-CG 3.44Å; R16-E20 PolarHBondContact O-N 2.89Å
17L95.9Very high91.7Very high40 Ų4057.2 Ų57.221%0.20930%0.3CS..Hα-helixtrans-67.7-32.8177.2-67.9177.1000112.3M9 V13 A14 L15 E19 G21 M53 Y132M9-L17 HydrophobicContact CE-CD1 3.87Å; M9-L17 HydrophobicContact SD-CD1 3.73Å; V13-L17 HydrophobicContact CG1-CD1 3.78Å; V13-L17 HydrophobicContact CG1-CG 4.16Å; V13-L17 WeakPolarHBondContact O-CG 3.37Å; V13-L17 PolarHBondContact O-N 2.85Å; A14-L17 PolarHBondContact O-N 3.38Å; L15-L17 PolarHBondContact O-N 3.26Å; L17-E19 VanDerWaalsContact C-N 3.34Å; L17-G21 VanDerWaalsContact O-CA 3.27Å; L17-G21 WeakPolarHBondContact O-CA 3.3Å; L17-G21 PolarHBondContact O-N 2.89Å; L17-M53 HydrophobicContact CB-CB 3.97Å; L17-M53 HydrophobicContact CB-CG 3.98Å; L17-Y132 HydrophobicContact CD1-CD2 4.37Å; L17-Y132 HydrophobicContact CD1-CE1 4.34Å; L17-Y132 HydrophobicContact CD1-CE2 3.68Å; L17-Y132 WeakPolarHBondContact CD2-OH 3.49Å
18F95.6Very high93.5Very high24 Ų2456.8 Ų56.811%0.10531%0.31CS..Hα-helixtrans-66.4-38174-176.9-106.4000112A14 L15 R16 K52 M53 L120 R121 D124A14-F18 WeakPolarHBondContact O-CB 3.32Å; A14-F18 PolarHBondContact O-N 3.28Å; L15-F18 WeakPolarHBondContact O-CB 3.36Å; L15-F18 PolarHBondContact O-N 3.47Å; R16-F18 VanDerWaalsContact C-N 3.31Å; R16-F18 PolarHBondContact O-N 3.28Å; F18-K52 HydrophobicContact CD2-CB 4.32Å; F18-K52 HydrophobicContact CD2-CD 3.81Å; F18-K52 HydrophobicContact CE2-CB 4.45Å; F18-K52 HydrophobicContact CE2-CD 3.94Å; F18-M53 HydrophobicContact CB-CE 3.91Å; F18-M53 HydrophobicContact CB-CG 4.27Å; F18-M53 HydrophobicContact CD2-CE 4.34Å; F18-L120 HydrophobicContact CE2-CG 4.4Å; F18-L120 HydrophobicContact CZ-CD2 4.22Å; F18-L120 HydrophobicContact CZ-CG 3.87Å; F18-R121 HydrophobicContact CE1-CG 4.25Å; F18-D124 WeakPolarHBondContact CD2-OD1 3.21Å; F18-D124 HydrophobicContact CE2-CB 4.14Å; F18-D124 WeakPolarHBondContact CE2-OD1 3.47Å; F18-D124 HydrophobicContact CZ-CB 4.05Å
19E93.5Very high94.8Very high92 Ų9249.8 Ų49.843%0.4327%0.273SS..Hα-helixtrans-78.1-38.1-179.9-70.3-177.6164.100113.4L15 R16 L17 R88L15-E19 WeakPolarHBondContact O-CG 3.49Å; L15-E19 PolarHBondContact O-N 3.06Å; R16-E19 PolarHBondContact O-N 3.31Å; L17-E19 VanDerWaalsContact C-N 3.34Å; E19-R88 WeakPolarHBondContact O-CD 3.03Å; E19-R88 VanDerWaalsContact O-CG 3.31Å; E19-R88 WeakPolarHBondContact O-CG 3.45Å
20E96Very high95.2Very high86 Ų8649.2 Ų49.240%0.40227%0.273SS..Hα-helixtrans-95.2-28.4-174.9-62.6-61.1165.400114R16 R88R16-E20 WeakPolarHBondContact O-CB 3.47Å; R16-E20 WeakPolarHBondContact O-CG 3.44Å; R16-E20 PolarHBondContact O-N 2.89Å; E20-R88 VanDerWaalsContact CD-NH2 3.25Å; E20-R88 PolarHBondContact O-N 2.98Å; E20-R88 IonicContact OE1-CZ 3.79Å; E20-R88 IonicContact OE1-NE 3.47Å; E20-R88 IonicContact OE1-NH2 2.68Å; E20-R88 PolarHBondContact OE1-NH2 3.48Å; E20-R88 IonicContact OE2-CZ 3.44Å; E20-R88 IonicContact OE2-NE 3.04Å; E20-R88 PolarHBondContact OE2-NE 3.06Å; E20-R88 IonicContact OE2-NH2 2.84Å; E20-R88 PolarHBondContact OE2-NH2 3.24Å; E20-R88 VanDerWaalsContact OE2-NH2 3.11Å
21G97Very high95.3Very high5 Ų551.7 Ų51.75%0.05228%0.282CS..SBendtrans-71.7154.9-17800000112.7L17 I54L17-G21 VanDerWaalsContact O-CA 3.27Å; L17-G21 WeakPolarHBondContact O-CA 3.3Å; L17-G21 PolarHBondContact O-N 2.89Å; G21-I54 CarbonylContact C-O 3.17Å; G21-I54 VanDerWaalsContact CA-O 3.29Å; G21-I54 WeakPolarHBondContact CA-O 3.48Å
22A98.2Very high95.3Very high0 Ų048 Ų480%026%0.262CS..EExtended strand (participates in β ladder)trans-71.2158167.900000110.9M53 I54 L85 E89A22-M53 PolarHBondContact O-N 3.06Å; A22-I54 HydrophobicContact CB-CB 4.25Å; A22-I54 PolarHBondContact N-O 2.9Å; A22-I54 PolarHBondContact O-N 2.77Å; A22-L85 HydrophobicContact CB-CB 3.87Å; A22-L85 HydrophobicContact CB-CD1 3.96Å; A22-L85 HydrophobicContact CB-CG 4.37Å; A22-E89 CarbonylContact C-O 3.59Å; A22-E89 WeakPolarHBondContact CA-O 3.47Å; A22-E89 HydrophobicContact CB-CB 4.26Å; A22-E89 WeakPolarHBondContact CB-O 3.44Å
23T98.4Very high95.3Very high2 Ų242.9 Ų42.91%0.01224%0.235CC..EExtended strand (participates in β ladder)trans-130.1127.8175.9-58.40000110.4V25 V51 K52 E89 I90 L91 L120 L127T23-V25 HydrophobicContact CG2-CG2 3.85Å; T23-V51 CarbonylContact C-O 3.53Å; T23-V51 WeakPolarHBondContact CA-O 3.4Å; T23-V51 WeakPolarHBondContact CG2-O 3.37Å; T23-K52 HydrophobicContact CG2-CB 4.44Å; T23-E89 PolarHBondContact N-O 2.67Å; T23-I90 VanDerWaalsContact O-CA 3.32Å; T23-I90 WeakPolarHBondContact O-CA 3.37Å; T23-L91 PolarHBondContact O-N 3.07Å; T23-L120 HydrophobicContact CG2-CD1 4.01Å; T23-L127 HydrophobicContact CG2-CD1 3.79Å; T23-L127 HydrophobicContact CG2-CD2 4.36Å
24L98.1Very high95.4Very high0 Ų042.5 Ų42.50%023%0.229CC..EExtended strand (participates in β ladder)trans-93.2119.9165.5-60.3178.2000108.2L26 I37 G50 V51 I54 L61 L83 L85 L91L24-L26 HydrophobicContact CB-CD2 4.4Å; L24-L26 HydrophobicContact CB-CG 4.43Å; L24-I37 HydrophobicContact CD1-CD1 4.07Å; L24-G50 CarbonylContact O-C 3.59Å; L24-G50 WeakPolarHBondContact O-CA 3.36Å; L24-V51 PolarHBondContact N-O 3.48Å; L24-V51 PolarHBondContact O-N 3.32Å; L24-I54 HydrophobicContact CB-CD1 4.19Å; L24-I54 HydrophobicContact CD1-CD1 3.8Å; L24-I54 HydrophobicContact CG-CD1 3.48Å; L24-I54 VanDerWaalsContact CG-CD1 3.48Å; L24-L61 HydrophobicContact CD1-CD1 4.07Å; L24-L61 HydrophobicContact CD1-CD2 4.3Å; L24-L83 HydrophobicContact CD1-CD1 4.15Å; L24-L83 HydrophobicContact CD2-CD1 3.99Å; L24-L85 HydrophobicContact CD2-CD2 4.32Å; L24-L91 CarbonylContact C-O 3.56Å; L24-L91 WeakPolarHBondContact CA-O 3.22Å; L24-L91 HydrophobicContact CD2-CB 3.64Å; L24-L91 HydrophobicContact CD2-CD1 3.73Å; L24-L91 HydrophobicContact CD2-CG 4.02Å
25V98.1Very high95.6Very high0 Ų041.5 Ų41.50%022%0.22CC..EExtended strand (participates in β ladder)trans-106.2113.3172.8-179.20000108T23 L27 R49 I90 L91 L92 A93 I116T23-V25 HydrophobicContact CG2-CG2 3.85Å; V25-L27 HydrophobicContact CG1-CD2 3.87Å; V25-L27 HydrophobicContact CG1-CG 4.13Å; V25-R49 CarbonylContact C-O 3.56Å; V25-R49 WeakPolarHBondContact CA-O 3.44Å; V25-I90 HydrophobicContact CG2-CG2 4.22Å; V25-L91 PolarHBondContact N-O 2.92Å; V25-L92 HydrophobicContact CB-CD1 3.97Å; V25-L92 HydrophobicContact CG1-CD1 3.75Å; V25-L92 WeakPolarHBondContact O-CA 3.29Å; V25-A93 PolarHBondContact O-N 2.83Å; V25-I116 HydrophobicContact CG2-CG2 3.86Å
26L97.7Very high95.8Very high1 Ų137 Ų371%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-117.1108.4-172.6-52.9178.6000108.6L24 V29 L35 F48 R49 A93 L102L24-L26 HydrophobicContact CB-CD2 4.4Å; L24-L26 HydrophobicContact CB-CG 4.43Å; L26-V29 HydrophobicContact CB-CG2 3.83Å; L26-L35 HydrophobicContact CD1-CD1 4.3Å; L26-L35 HydrophobicContact CD1-CD2 3.36Å; L26-L35 HydrophobicContact CD1-CG 4.48Å; L26-F48 HydrophobicContact CD1-CE1 4.4Å; L26-R49 PolarHBondContact N-O 3.1Å; L26-R49 CarbonylContact O-C 3.41Å; L26-R49 WeakPolarHBondContact O-CA 3.48Å; L26-A93 HydrophobicContact CD2-CB 3.81Å; L26-L102 HydrophobicContact CD2-CD1 4.2Å; L26-L102 HydrophobicContact CD2-CD2 4.26Å
27L96.1Very high96Very high42 Ų4229.6 Ų29.622%0.2217%0.169CC..EExtended strand (participates in β ladder)trans-103.8135.8-173.3-59-175.8000111.1V25 V29 L92 A93 H94 W95V25-L27 HydrophobicContact CG1-CD2 3.87Å; V25-L27 HydrophobicContact CG1-CG 4.13Å; L27-V29 VanDerWaalsContact C-N 3.31Å; L27-V29 PolarHBondContact O-N 3.07Å; L27-L92 HydrophobicContact CD1-CD1 3.83Å; L27-L92 HydrophobicContact CG-CD1 4.13Å; L27-A93 PolarHBondContact N-O 2.59Å; L27-H94 WeakPolarHBondContact O-CA 3.09Å; L27-W95 PolarHBondContact O-N 3.45Å
28G94.2Very high96.1Very high64 Ų6427.7 Ų27.766%0.6616%0.159SC*.SBendtrans78.28.7174.800000115.4W95G28-W95 VanDerWaalsContact C-CB 3.49Å; G28-W95 WeakPolarHBondContact O-CB 3.48Å
29V94.9Very high96Very high19 Ų1928 Ų2812%0.11516%0.164CC..PPolyproline II helixtrans-61.1127.5176.1-173.10000109.6L26 L27 T33 V44 W95 L102L26-V29 HydrophobicContact CB-CG2 3.83Å; L27-V29 VanDerWaalsContact C-N 3.31Å; L27-V29 PolarHBondContact O-N 3.07Å; V29-T33 HydrophobicContact CG1-CG2 3.83Å; V29-V44 HydrophobicContact CB-CG1 4.37Å; V29-V44 HydrophobicContact CG1-CB 4.49Å; V29-V44 HydrophobicContact CG1-CG1 4.16Å; V29-V44 HydrophobicContact CG1-CG2 3.98Å; V29-W95 HydrophobicContact CG1-CE3 4.42Å; V29-W95 HydrophobicContact CG2-CB 4.48Å; V29-W95 HydrophobicContact CG2-CE3 4.48Å; V29-L102 HydrophobicContact CG2-CD2 3.99Å
30P92.9Very high96.1Very high40 Ų4027.2 Ų27.226%0.2616%0.159SC..PPolyproline II helixtrans-58.6142.4-179.2-25.433.9000112.8G32 T33 V44 V66 W95P30-G32 PolarHBondContact O-N 3.15Å; P30-T33 WeakPolarHBondContact O-CB 3.03Å; P30-T33 PolarHBondContact O-N 2.91Å; P30-T33 PolarHBondContact O-OG1 3.06Å; P30-T33 VanDerWaalsContact O-OG1 3.1Å; P30-V44 WeakPolarHBondContact O-CG1 3.46Å; P30-V66 HydrophobicContact CB-CG2 4.4Å; P30-W95 HydrophobicContact CG-CD2 4.45Å; P30-W95 HydrophobicContact CG-CZ2 4.31Å
31Q92.9Very high96.1Very high136 Ų13625.5 Ų25.564%0.63616%0.156SC*.THydrogen-bonded Turntrans-64.2133.8172.1-179.1-177.4-9.800109.6V66Q31-V66 WeakPolarHBondContact O-CG2 3.25Å
32G91.8Very high96Very high20 Ų2028.8 Ų28.821%0.20617%0.167CC..THydrogen-bonded Turntrans95.2-16.4-17800000113.9P30 E34 V44 V66P30-G32 PolarHBondContact O-N 3.15Å; G32-E34 PolarHBondContact O-N 3.42Å; G32-V44 PolarHBondContact N-O 3.09Å; G32-V66 VanDerWaalsContact C-CG2 3.47Å; G32-V66 VanDerWaalsContact O-CG1 3.3Å; G32-V66 WeakPolarHBondContact O-CG1 3.47Å
33T94.6Very high95.8Very high0 Ų035.9 Ų35.90%020%0.201CC..  trans-50.7128.2172.1-67.50000108.7V29 P30 L35 V44 F63 C64 V66V29-T33 HydrophobicContact CG1-CG2 3.83Å; P30-T33 WeakPolarHBondContact O-CB 3.03Å; P30-T33 PolarHBondContact O-N 2.91Å; P30-T33 PolarHBondContact O-OG1 3.06Å; P30-T33 VanDerWaalsContact O-OG1 3.1Å; T33-L35 PolarHBondContact O-N 3.15Å; T33-V44 WeakPolarHBondContact O-CB 3.47Å; T33-V44 VanDerWaalsContact O-CG2 3.28Å; T33-V44 WeakPolarHBondContact O-CG2 3.47Å; T33-V44 PolarHBondContact O-N 3.46Å; T33-F63 HydrophobicContact CG2-CB 4.23Å; T33-C64 WeakPolarHBondContact CG2-O 3.47Å; T33-V66 VanDerWaalsContact N-CG2 3.26Å
34E95.9Very high95.7Very high49 Ų4936 Ų3623%0.22920%0.201CC..EExtended strand (participates in β ladder)trans-74.4121.4168.3-173.3-177.6163.900106.7G32 S41 F63 C64G32-E34 PolarHBondContact O-N 3.42Å; E34-S41 VanDerWaalsContact OE1-CB 3.26Å; E34-S41 WeakPolarHBondContact OE1-CB 3.41Å; E34-S41 PolarHBondContact OE1-OG 2.9Å; E34-F63 CarbonylContact O-C 3.43Å; E34-F63 WeakPolarHBondContact O-CA 3.25Å; E34-F63 VanDerWaalsContact O-CB 3.27Å; E34-F63 WeakPolarHBondContact O-CB 3.37Å; E34-C64 HydrophobicContact CB-CB 4.1Å; E34-C64 PolarHBondContact N-O 3.4Å; E34-C64 VanDerWaalsContact N-O 3.13Å; E34-C64 PolarHBondContact O-N 2.91Å
35L97.4Very high95.4Very high1 Ų137.4 Ų37.41%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-125.9137176.4179.769.7000107.9L26 T33 S41 W42 V44 F48 L61 F63L26-L35 HydrophobicContact CD1-CD1 4.3Å; L26-L35 HydrophobicContact CD1-CD2 3.36Å; L26-L35 HydrophobicContact CD1-CG 4.48Å; T33-L35 PolarHBondContact O-N 3.15Å; L35-S41 CarbonylContact O-C 3.52Å; L35-S41 VanDerWaalsContact O-CA 3.3Å; L35-S41 WeakPolarHBondContact O-CA 3.28Å; L35-W42 HydrophobicContact CB-CE3 4.02Å; L35-W42 HydrophobicContact CB-CH2 3.95Å; L35-W42 HydrophobicContact CB-CZ3 3.49Å; L35-W42 VanDerWaalsContact CB-CZ3 3.49Å; L35-W42 HydrophobicContact CD2-CH2 3.38Å; L35-W42 HydrophobicContact CD2-CZ3 3.41Å; L35-W42 VanDerWaalsContact CD2-CZ3 3.41Å; L35-W42 HydrophobicContact CG-CH2 3.52Å; L35-W42 HydrophobicContact CG-CZ2 4.48Å; L35-W42 HydrophobicContact CG-CZ3 3.58Å; L35-W42 PolarHBondContact N-O 2.84Å; L35-W42 VanDerWaalsContact O-CD2 3.31Å; L35-W42 PolarHBondContact O-N 3.39Å; L35-W42 VanDerWaalsContact O-O 3.12Å; L35-V44 HydrophobicContact CB-CG2 3.67Å; L35-V44 HydrophobicContact CD2-CG2 4.23Å; L35-F48 HydrophobicContact CD2-CE1 3.45Å; L35-F48 VanDerWaalsContact CD2-CE1 3.45Å; L35-F48 HydrophobicContact CD2-CZ 3.78Å; L35-L61 HydrophobicContact CD1-CD1 3.8Å; L35-L61 HydrophobicContact CD1-CG 4.48Å; L35-F63 HydrophobicContact CD1-CB 3.78Å; L35-F63 HydrophobicContact CD1-CD1 4.44Å
36G97.7Very high95.2Very high0 Ų042.5 Ų42.50%025%0.248CC..EExtended strand (participates in β ladder)trans-141.2151.8-179.300000112.5K40 L61 H62G36-K40 CarbonylContact C-O 3.56Å; G36-K40 WeakPolarHBondContact CA-O 3.42Å; G36-L61 WeakPolarHBondContact O-CD1 3.2Å; G36-H62 PolarHBondContact N-O 2.74Å; G36-H62 PolarHBondContact O-N 3.06Å; G36-H62 VanDerWaalsContact O-O 3.13Å
37I98.2Very high95Very high0 Ų049.2 Ų49.20%027%0.274CS..EExtended strand (participates in β ladder)trans-127.1127.4169.9-170.6165.7000107L24 C39 K40 I54 H59 F60 Y130 P131L24-I37 HydrophobicContact CD1-CD1 4.07Å; I37-C39 PolarHBondContact O-N 2.86Å; I37-K40 PolarHBondContact N-O 3.3Å; I37-K40 PolarHBondContact O-N 2.87Å; I37-I54 HydrophobicContact CD1-CD1 3.91Å; I37-I54 HydrophobicContact CD1-CG1 4.29Å; I37-I54 HydrophobicContact CD1-CG2 4.07Å; I37-H59 HydrophobicContact CD1-CB 4.39Å; I37-H59 HydrophobicContact CG1-CB 4.39Å; I37-F60 CarbonylContact C-O 3.5Å; I37-F60 WeakPolarHBondContact CA-O 3.02Å; I37-Y130 HydrophobicContact CD1-CD2 4.06Å; I37-Y130 HydrophobicContact CD1-CE2 4.12Å; I37-Y130 HydrophobicContact CG1-CD2 4.48Å; I37-Y130 HydrophobicContact CG1-CE2 4.17Å; I37-Y130 HydrophobicContact CG2-CD2 4.09Å; I37-Y130 HydrophobicContact CG2-CE2 4.18Å; I37-P131 HydrophobicContact CG2-CG 4.29Å
38D98Very high95Very high0 Ų049.2 Ų49.20%027%0.272CS..THydrogen-bonded Turntrans53.6-127.1-176.3-53.2-20.2000110.8K40 H59 F60 H62 Y130 W138 V267D38-K40 VanDerWaalsContact C-N 3.28Å; D38-K40 PolarHBondContact O-N 2.88Å; D38-H59 WeakPolarHBondContact OD1-CA 3.46Å; D38-H59 WeakPolarHBondContact OD1-CB 3.38Å; D38-H59 IonicContact OD1-CG 3.11Å; D38-H59 IonicContact OD1-ND1 2.6Å; D38-H59 PolarHBondContact OD1-ND1 2.77Å; D38-H59 IonicContact OD2-CE1 2.59Å; D38-H59 PolarHBondContact OD2-CE1 2.95Å; D38-H59 IonicContact OD2-CG 3.35Å; D38-H59 IonicContact OD2-ND1 2.74Å; D38-H59 PolarHBondContact OD2-ND1 2.86Å; D38-F60 PolarHBondContact N-O 2.92Å; D38-F60 PolarHBondContact OD1-N 3.17Å; D38-H62 PolarHBondContact O-NE2 3.45Å; D38-Y130 WeakPolarHBondContact OD2-CE2 3.47Å; D38-Y130 VanDerWaalsContact OD2-CZ 3.25Å; D38-Y130 PolarHBondContact OD2-OH 2.97Å; D38-W138 HydrophobicContact CB-CB 4.07Å; D38-W138 HydrophobicContact CB-CD2 3.47Å; D38-W138 VanDerWaalsContact CB-CD2 3.47Å; D38-W138 HydrophobicContact CB-CE3 3.57Å; D38-W138 HydrophobicContact CB-CG 3.69Å; D38-W138 HydrophobicContact CB-CZ3 4.21Å; D38-W138 VanDerWaalsContact CG-CE2 3.45Å; D38-W138 VanDerWaalsContact OD1-CE2 3.26Å; D38-W138 WeakPolarHBondContact OD1-CZ2 3.44Å; D38-V267 VanDerWaalsContact O-CG1 3.31Å; D38-V267 WeakPolarHBondContact O-CG1 3.39Å
39C94.9Very high95.2Very high31 Ų3151.3 Ų51.321%0.20926%0.26CS..THydrogen-bonded Turntrans-8513.2-175.1-540000114.8I37 V134 K137I37-C39 PolarHBondContact O-N 2.86Å; C39-V134 HydrophobicContact CB-CB 4.22Å; C39-V134 HydrophobicContact CB-CG2 4.36Å; C39-K137 HydrophobicContact CB-CD 4.09Å; C39-K137 VanDerWaalsContact SG-CE 3.6Å
40K95.7Very high95.3Very high76 Ų7650.4 Ų50.433%0.3325%0.254SS..EExtended strand (participates in β ladder)trans-130.6134.5-178-163.493.9178.3-1540110.9G36 I37 D38 P131 E133 V134G36-K40 CarbonylContact C-O 3.56Å; G36-K40 WeakPolarHBondContact CA-O 3.42Å; I37-K40 PolarHBondContact N-O 3.3Å; I37-K40 PolarHBondContact O-N 2.87Å; D38-K40 VanDerWaalsContact C-N 3.28Å; D38-K40 PolarHBondContact O-N 2.88Å; K40-P131 HydrophobicContact CB-CB 4.13Å; K40-P131 HydrophobicContact CB-CG 3.7Å; K40-P131 HydrophobicContact CD-CB 4.32Å; K40-P131 HydrophobicContact CG-CB 4.08Å; K40-P131 HydrophobicContact CG-CG 4.13Å; K40-E133 IonicContact NZ-OE1 3.74Å; K40-E133 PolarHBondContact NZ-OE1 2.89Å; K40-V134 HydrophobicContact CB-CG2 4.19Å; K40-V134 HydrophobicContact CD-CG1 4.36Å
41S95.4Very high95.5Very high49 Ų4948.6 Ų48.634%0.34324%0.243SC..EExtended strand (participates in β ladder)trans-127.3161168.361.70000112.1E34 L35E34-S41 VanDerWaalsContact OE1-CB 3.26Å; E34-S41 WeakPolarHBondContact OE1-CB 3.41Å; E34-S41 PolarHBondContact OE1-OG 2.9Å; L35-S41 CarbonylContact O-C 3.52Å; L35-S41 VanDerWaalsContact O-CA 3.3Å; L35-S41 WeakPolarHBondContact O-CA 3.28Å
42W95.3Very high95.7Very high74 Ų7443.1 Ų43.128%0.2822%0.217SC..EExtended strand (participates in β ladder)trans-153.8159.3-179.621.4-96.8000109.5L35 V44 F48 V51L35-W42 HydrophobicContact CB-CE3 4.02Å; L35-W42 HydrophobicContact CB-CH2 3.95Å; L35-W42 HydrophobicContact CB-CZ3 3.49Å; L35-W42 VanDerWaalsContact CB-CZ3 3.49Å; L35-W42 HydrophobicContact CD2-CH2 3.38Å; L35-W42 HydrophobicContact CD2-CZ3 3.41Å; L35-W42 VanDerWaalsContact CD2-CZ3 3.41Å; L35-W42 HydrophobicContact CG-CH2 3.52Å; L35-W42 HydrophobicContact CG-CZ2 4.48Å; L35-W42 HydrophobicContact CG-CZ3 3.58Å; L35-W42 PolarHBondContact N-O 2.84Å; L35-W42 VanDerWaalsContact O-CD2 3.31Å; L35-W42 PolarHBondContact O-N 3.39Å; L35-W42 VanDerWaalsContact O-O 3.12Å; W42-V44 HydrophobicContact CZ3-CG2 4.31Å; W42-F48 HydrophobicContact CE3-CE2 4.28Å; W42-F48 HydrophobicContact CE3-CZ 4.38Å; W42-F48 HydrophobicContact CH2-CE1 4.06Å; W42-F48 AromaticContact CH2-CE2 3.64Å; W42-F48 HydrophobicContact CH2-CE2 3.64Å; W42-F48 AromaticContact CH2-CZ 3.23Å; W42-F48 HydrophobicContact CH2-CZ 3.23Å; W42-F48 HydrophobicContact CZ2-CE2 4.5Å; W42-F48 HydrophobicContact CZ2-CZ 4.36Å; W42-F48 HydrophobicContact CZ3-CD1 4.4Å; W42-F48 HydrophobicContact CZ3-CD2 4.19Å; W42-F48 AromaticContact CZ3-CE1 3.74Å; W42-F48 HydrophobicContact CZ3-CE1 3.74Å; W42-F48 AromaticContact CZ3-CE2 3.47Å; W42-F48 HydrophobicContact CZ3-CE2 3.47Å; W42-F48 VanDerWaalsContact CZ3-CE2 3.47Å; W42-F48 AromaticContact CZ3-CZ 3.22Å; W42-F48 HydrophobicContact CZ3-CZ 3.22Å; W42-V51 HydrophobicContact CH2-CG2 3.64Å; W42-V51 HydrophobicContact CZ2-CG2 3.65Å
43Q94.4Very high96Very high150 Ų15043 Ų4370%0.70121%0.211SC*.EExtended strand (participates in β ladder)trans-82.3129.9173-71.6-177.2-5.400110.4G45Q43-G45 PolarHBondContact O-N 2.89Å
44V94.8Very high96.2Very high4 Ų443 Ų432%0.02421%0.211CC..PPolyproline II helixtrans-64.1121.1178169.80000110V29 P30 G32 T33 L35 W42 F48V29-V44 HydrophobicContact CB-CG1 4.37Å; V29-V44 HydrophobicContact CG1-CB 4.49Å; V29-V44 HydrophobicContact CG1-CG1 4.16Å; V29-V44 HydrophobicContact CG1-CG2 3.98Å; P30-V44 WeakPolarHBondContact O-CG1 3.46Å; G32-V44 PolarHBondContact N-O 3.09Å; T33-V44 WeakPolarHBondContact O-CB 3.47Å; T33-V44 VanDerWaalsContact O-CG2 3.28Å; T33-V44 WeakPolarHBondContact O-CG2 3.47Å; T33-V44 PolarHBondContact O-N 3.46Å; L35-V44 HydrophobicContact CB-CG2 3.67Å; L35-V44 HydrophobicContact CD2-CG2 4.23Å; W42-V44 HydrophobicContact CZ3-CG2 4.31Å; V44-F48 HydrophobicContact CB-CD1 4.48Å; V44-F48 HydrophobicContact CG1-CB 4.07Å; V44-F48 HydrophobicContact CG1-CD1 3.9Å; V44-F48 HydrophobicContact CG1-CG 4.32Å; V44-F48 HydrophobicContact CG2-CD1 4.04Å; V44-F48 HydrophobicContact CG2-CE1 4.34Å
45G93.5Very high96.3Very high29 Ų2941.7 Ų41.730%0.29921%0.207SC..PPolyproline II helixtrans-87.2169.5175.300000113.2Q43 R47 F48Q43-G45 PolarHBondContact O-N 2.89Å; G45-R47 PolarHBondContact O-N 3.25Å; G45-F48 WeakPolarHBondContact O-CB 3.33Å; G45-F48 PolarHBondContact O-N 3.43Å; G45-F48 VanDerWaalsContact O-N 3.09Å
46P92.6Very high96.3Very high107 Ų10745.3 Ų45.370%0.69523%0.231SC*.THydrogen-bonded Turntrans-65.4-18.2-172.927-36.5000114.6
47R94.8Very high96.2Very high143 Ų14346.7 Ų46.754%0.5425%0.245SC..THydrogen-bonded Turntrans-107.1-5.3-179.7-73.9-173.863.1-177.1-0.4113G45 R49 Y126G45-R47 PolarHBondContact O-N 3.25Å; R47-R49 PolarHBondContact O-N 3.28Å; R47-Y126 HydrophobicContact CB-CD1 4.02Å; R47-Y126 HydrophobicContact CB-CE1 4.46Å; R47-Y126 HydrophobicContact CG-CE1 4.47Å; R47-Y126 VanDerWaalsContact NE-CE1 3.29Å; R47-Y126 WeakPolarHBondContact O-CB 3.3Å; R47-Y126 VanDerWaalsContact O-CD1 3.3Å; R47-Y126 WeakPolarHBondContact O-CD1 3.47Å
48F96.1Very high96.2Very high41 Ų4147.8 Ų47.818%0.1825%0.25CS..  trans-67.9133.6-174.3177.8-91.2000110.5L26 L35 W42 V44 G45 G50 V51L26-F48 HydrophobicContact CD1-CE1 4.4Å; L35-F48 HydrophobicContact CD2-CE1 3.45Å; L35-F48 VanDerWaalsContact CD2-CE1 3.45Å; L35-F48 HydrophobicContact CD2-CZ 3.78Å; W42-F48 HydrophobicContact CE3-CE2 4.28Å; W42-F48 HydrophobicContact CE3-CZ 4.38Å; W42-F48 HydrophobicContact CH2-CE1 4.06Å; W42-F48 AromaticContact CH2-CE2 3.64Å; W42-F48 HydrophobicContact CH2-CE2 3.64Å; W42-F48 AromaticContact CH2-CZ 3.23Å; W42-F48 HydrophobicContact CH2-CZ 3.23Å; W42-F48 HydrophobicContact CZ2-CE2 4.5Å; W42-F48 HydrophobicContact CZ2-CZ 4.36Å; W42-F48 HydrophobicContact CZ3-CD1 4.4Å; W42-F48 HydrophobicContact CZ3-CD2 4.19Å; W42-F48 AromaticContact CZ3-CE1 3.74Å; W42-F48 HydrophobicContact CZ3-CE1 3.74Å; W42-F48 AromaticContact CZ3-CE2 3.47Å; W42-F48 HydrophobicContact CZ3-CE2 3.47Å; W42-F48 VanDerWaalsContact CZ3-CE2 3.47Å; W42-F48 AromaticContact CZ3-CZ 3.22Å; W42-F48 HydrophobicContact CZ3-CZ 3.22Å; V44-F48 HydrophobicContact CB-CD1 4.48Å; V44-F48 HydrophobicContact CG1-CB 4.07Å; V44-F48 HydrophobicContact CG1-CD1 3.9Å; V44-F48 HydrophobicContact CG1-CG 4.32Å; V44-F48 HydrophobicContact CG2-CD1 4.04Å; V44-F48 HydrophobicContact CG2-CE1 4.34Å; G45-F48 WeakPolarHBondContact O-CB 3.33Å; G45-F48 PolarHBondContact O-N 3.43Å; G45-F48 VanDerWaalsContact O-N 3.09Å; F48-G50 VanDerWaalsContact CE1-N 3.29Å; F48-G50 WeakPolarHBondContact CE2-O 3.47Å; F48-G50 WeakPolarHBondContact CZ-O 3.39Å; F48-V51 HydrophobicContact CE2-CG2 4.46Å; F48-V51 HydrophobicContact CZ-CG2 4.04Å
49R96.8Very high96.2Very high108 Ų10848 Ų4841%0.40825%0.251SS..  trans-134.114.5179.7-64.7-174-177.8-160.8-0.2113.5V25 L26 R47 Y126V25-R49 CarbonylContact C-O 3.56Å; V25-R49 WeakPolarHBondContact CA-O 3.44Å; L26-R49 PolarHBondContact N-O 3.1Å; L26-R49 CarbonylContact O-C 3.41Å; L26-R49 WeakPolarHBondContact O-CA 3.48Å; R47-R49 PolarHBondContact O-N 3.28Å; R49-Y126 PolarHBondContact N-O 2.9Å
50G97.3Very high96.4Very high0 Ų046.5 Ų46.50%024%0.241CC..EExtended strand (participates in β ladder)trans130.8-165.3176.300000114.9L24 F48 L127 G128L24-G50 CarbonylContact O-C 3.59Å; L24-G50 WeakPolarHBondContact O-CA 3.36Å; F48-G50 VanDerWaalsContact CE1-N 3.29Å; F48-G50 WeakPolarHBondContact CE2-O 3.47Å; F48-G50 WeakPolarHBondContact CZ-O 3.39Å; G50-L127 WeakPolarHBondContact O-CA 3.48Å; G50-G128 PolarHBondContact O-N 3Å
51V98.1Very high96.5Very high2 Ų242.9 Ų42.91%0.01223%0.226CC..EExtended strand (participates in β ladder)trans-125.8132.3-170.3-174.10000109.8T23 L24 W42 F48 I54 G128T23-V51 CarbonylContact C-O 3.53Å; T23-V51 WeakPolarHBondContact CA-O 3.4Å; T23-V51 WeakPolarHBondContact CG2-O 3.37Å; L24-V51 PolarHBondContact N-O 3.48Å; L24-V51 PolarHBondContact O-N 3.32Å; W42-V51 HydrophobicContact CH2-CG2 3.64Å; W42-V51 HydrophobicContact CZ2-CG2 3.65Å; F48-V51 HydrophobicContact CE2-CG2 4.46Å; F48-V51 HydrophobicContact CZ-CG2 4.04Å; V51-I54 HydrophobicContact CB-CD1 4.05Å; V51-I54 HydrophobicContact CB-CG1 4.42Å; V51-I54 HydrophobicContact CG1-CD1 4Å; V51-I54 HydrophobicContact CG1-CG1 3.85Å; V51-G128 CarbonylContact C-O 3.44Å; V51-G128 VanDerWaalsContact CA-O 3.25Å; V51-G128 WeakPolarHBondContact CA-O 3.48Å; V51-G128 WeakPolarHBondContact CG1-O 3.44Å
52K97.6Very high96.6Very high22 Ų2240.8 Ų40.810%0.09621%0.21CC..EExtended strand (participates in β ladder)trans-112.2170.5178.662.5-178.6176.3-164.30111.2F18 T23 I54 D124 L127 G128 Y130F18-K52 HydrophobicContact CD2-CB 4.32Å; F18-K52 HydrophobicContact CD2-CD 3.81Å; F18-K52 HydrophobicContact CE2-CB 4.45Å; F18-K52 HydrophobicContact CE2-CD 3.94Å; T23-K52 HydrophobicContact CG2-CB 4.44Å; K52-I54 VanDerWaalsContact C-N 3.27Å; K52-I54 PolarHBondContact O-N 3.36Å; K52-D124 WeakPolarHBondContact CD-OD1 3.42Å; K52-D124 WeakPolarHBondContact CE-OD1 3.49Å; K52-D124 PolarHBondContact NZ-O 2.81Å; K52-D124 VanDerWaalsContact NZ-O 3.07Å; K52-D124 IonicContact NZ-OD1 3.14Å; K52-D124 PolarHBondContact NZ-OD1 3.19Å; K52-D124 IonicContact NZ-OD2 2.68Å; K52-D124 PolarHBondContact NZ-OD2 2.98Å; K52-L127 HydrophobicContact CB-CB 3.99Å; K52-L127 HydrophobicContact CB-CD1 4.19Å; K52-L127 HydrophobicContact CD-CB 3.85Å; K52-L127 VanDerWaalsContact CE-O 3.25Å; K52-L127 WeakPolarHBondContact CE-O 3.43Å; K52-L127 HydrophobicContact CG-CB 3.94Å; K52-L127 PolarHBondContact NZ-O 3.35Å; K52-G128 PolarHBondContact N-O 3.12Å; K52-Y130 PolarHBondContact O-N 3.46Å
53M97.8Very high96.7Very high16 Ų1637.3 Ų37.38%0.07920%0.197CC..EExtended strand (participates in β ladder)trans61.335.5174.9-55163.5-179.300112A14 L17 F18 A22 P129 Y130 Y132A14-M53 HydrophobicContact CB-CE 4.27Å; A14-M53 WeakPolarHBondContact O-CE 3.34Å; L17-M53 HydrophobicContact CB-CB 3.97Å; L17-M53 HydrophobicContact CB-CG 3.98Å; F18-M53 HydrophobicContact CB-CE 3.91Å; F18-M53 HydrophobicContact CB-CG 4.27Å; F18-M53 HydrophobicContact CD2-CE 4.34Å; A22-M53 PolarHBondContact O-N 3.06Å; M53-P129 HydrophobicContact SD-CB 3.94Å; M53-Y130 VanDerWaalsContact O-CB 3.29Å; M53-Y130 WeakPolarHBondContact O-CB 3.23Å; M53-Y132 HydrophobicContact CB-CE2 4.2Å; M53-Y132 WeakPolarHBondContact O-CE2 3.37Å; M53-Y132 PolarHBondContact O-OH 3.1Å
54I98.3Very high96.8Very high0 Ų030.5 Ų30.50%017%0.166CC..EExtended strand (participates in β ladder)trans-82.1126.1-178.7-52.9167.4000107.7G21 A22 L24 I37 V51 K52 L85 Y130G21-I54 CarbonylContact C-O 3.17Å; G21-I54 VanDerWaalsContact CA-O 3.29Å; G21-I54 WeakPolarHBondContact CA-O 3.48Å; A22-I54 HydrophobicContact CB-CB 4.25Å; A22-I54 PolarHBondContact N-O 2.9Å; A22-I54 PolarHBondContact O-N 2.77Å; L24-I54 HydrophobicContact CB-CD1 4.19Å; L24-I54 HydrophobicContact CD1-CD1 3.8Å; L24-I54 HydrophobicContact CG-CD1 3.48Å; L24-I54 VanDerWaalsContact CG-CD1 3.48Å; I37-I54 HydrophobicContact CD1-CD1 3.91Å; I37-I54 HydrophobicContact CD1-CG1 4.29Å; I37-I54 HydrophobicContact CD1-CG2 4.07Å; V51-I54 HydrophobicContact CB-CD1 4.05Å; V51-I54 HydrophobicContact CB-CG1 4.42Å; V51-I54 HydrophobicContact CG1-CD1 4Å; V51-I54 HydrophobicContact CG1-CG1 3.85Å; K52-I54 VanDerWaalsContact C-N 3.27Å; K52-I54 PolarHBondContact O-N 3.36Å; I54-L85 HydrophobicContact CB-CD1 4.12Å; I54-L85 HydrophobicContact CD1-CD1 4.15Å; I54-L85 HydrophobicContact CG2-CD1 3.54Å; I54-Y130 HydrophobicContact CB-CD2 4.35Å; I54-Y130 HydrophobicContact CG1-CD2 4.16Å; I54-Y130 HydrophobicContact CG2-CD2 3.9Å; I54-Y130 HydrophobicContact CG2-CE2 4.27Å
55P97.4Very high96.6Very high23 Ų2330.8 Ų30.815%0.14917%0.168CC..PPolyproline II helixtrans-61.5154.317725.7-32.3000110.8H59 Y130 M135P55-H59 PolarHBondContact O-NE2 3.14Å; P55-Y130 HydrophobicContact CG-CD1 4.38Å; P55-Y130 HydrophobicContact CG-CE1 4.12Å; P55-M135 HydrophobicContact CG-CG 4.49Å; P55-M135 HydrophobicContact CG-SD 4.29Å
56P96.8Very high96.4Very high77 Ų7730.4 Ų30.450%0.516%0.16SC..SBendtrans-69.2145.5173.130.1-35000110.5L85 P87P56-L85 CarbonylContact C-O 3.55Å; P56-L85 VanDerWaalsContact CA-O 3.27Å; P56-L85 WeakPolarHBondContact CA-O 3.23Å; P56-P87 HydrophobicContact CB-CG 3.99Å; P56-P87 HydrophobicContact CG-CG 4.22Å
57G96.6Very high95.8Very high29 Ų2928.8 Ų28.830%0.29915%0.146SC..EExtended strand (participates in β ladder)trans132.9-166.5-179.800000113.4H59 T84 L85G57-H59 PolarHBondContact O-CD2 3.35Å; G57-T84 CarbonylContact O-C 3.54Å; G57-T84 WeakPolarHBondContact O-CA 3.34Å; G57-L85 PolarHBondContact N-O 3.29Å; G57-L85 PolarHBondContact O-N 3.21Å
58L98Very high94.8Very high22 Ų2224.9 Ų24.912%0.11514%0.14CC..EExtended strand (participates in β ladder)trans-75.4135.9177.8-17371.1000110F82 L83 W138 I145 A150L58-F82 HydrophobicContact CD1-CB 4.22Å; L58-F82 HydrophobicContact CD1-CD1 4.08Å; L58-F82 HydrophobicContact CD2-CD1 4.26Å; L58-F82 HydrophobicContact CG-CD1 4.23Å; L58-L83 CarbonylContact C-O 3.53Å; L58-L83 WeakPolarHBondContact CA-O 3.27Å; L58-W138 PolarHBondContact O-NE1 3.13Å; L58-I145 HydrophobicContact CD2-CB 3.65Å; L58-I145 HydrophobicContact CD2-CD1 4.14Å; L58-I145 HydrophobicContact CD2-CG1 4.49Å; L58-I145 HydrophobicContact CD2-CG2 3.48Å; L58-I145 VanDerWaalsContact CD2-CG2 3.48Å; L58-A150 HydrophobicContact CD1-CB 3.63Å; L58-A150 HydrophobicContact CD2-CB 4.39Å
59H98.3Very high93.6Very high4 Ų428.6 Ų28.62%0.01917%0.168CC..EExtended strand (participates in β ladder)trans-139154.4174.8-70.9-72.2000110.1I37 D38 P55 G57 F82 L83 Y130 W138I37-H59 HydrophobicContact CD1-CB 4.39Å; I37-H59 HydrophobicContact CG1-CB 4.39Å; D38-H59 WeakPolarHBondContact OD1-CA 3.46Å; D38-H59 WeakPolarHBondContact OD1-CB 3.38Å; D38-H59 IonicContact OD1-CG 3.11Å; D38-H59 IonicContact OD1-ND1 2.6Å; D38-H59 PolarHBondContact OD1-ND1 2.77Å; D38-H59 IonicContact OD2-CE1 2.59Å; D38-H59 PolarHBondContact OD2-CE1 2.95Å; D38-H59 IonicContact OD2-CG 3.35Å; D38-H59 IonicContact OD2-ND1 2.74Å; D38-H59 PolarHBondContact OD2-ND1 2.86Å; P55-H59 PolarHBondContact O-NE2 3.14Å; G57-H59 PolarHBondContact O-CD2 3.35Å; H59-F82 CarbonylContact O-C 3.59Å; H59-F82 VanDerWaalsContact O-CA 3.31Å; H59-F82 WeakPolarHBondContact O-CA 3.31Å; H59-L83 PolarHBondContact N-O 3.49Å; H59-L83 PolarHBondContact O-N 3.28Å; H59-Y130 AromaticContact CE1-CE2 3.82Å; H59-Y130 AromaticContact ND1-CE2 3.83Å; H59-W138 AromaticContact ND1-NE1 3.9Å
60F98.4Very high92.5Very high0 Ų028.4 Ų28.40%018%0.184CC..EExtended strand (participates in β ladder)trans-116.2107.8172.2-174.8-119.9000109.7I37 D38 H62 F82 W138 V160 V263 V267I37-F60 CarbonylContact C-O 3.5Å; I37-F60 WeakPolarHBondContact CA-O 3.02Å; D38-F60 PolarHBondContact N-O 2.92Å; D38-F60 PolarHBondContact OD1-N 3.17Å; F60-H62 HydrophobicContact CD1-CB 4.19Å; F60-H62 AromaticContact CD1-CD2 3.7Å; F60-H62 HydrophobicContact CE1-CB 3.78Å; F60-H62 HydrophobicContact CZ-CB 4.31Å; F60-H62 PolarHBondContact O-CD2 2.91Å; F60-F82 HydrophobicContact CB-CD1 4.19Å; F60-F82 HydrophobicContact CB-CE1 4.09Å; F60-F82 AromaticContact CD2-CD1 3.99Å; F60-F82 HydrophobicContact CD2-CD1 3.99Å; F60-F82 AromaticContact CD2-CD2 3.67Å; F60-F82 HydrophobicContact CD2-CD2 3.67Å; F60-F82 AromaticContact CD2-CE1 3.96Å; F60-F82 HydrophobicContact CD2-CE1 3.96Å; F60-F82 AromaticContact CD2-CE2 3.62Å; F60-F82 HydrophobicContact CD2-CE2 3.62Å; F60-F82 AromaticContact CD2-CG 3.87Å; F60-F82 HydrophobicContact CD2-CG 3.87Å; F60-F82 AromaticContact CD2-CZ 3.78Å; F60-F82 HydrophobicContact CD2-CZ 3.78Å; F60-F82 AromaticContact CE2-CD2 3.92Å; F60-F82 HydrophobicContact CE2-CD2 3.92Å; F60-F82 AromaticContact CE2-CE2 3.71Å; F60-F82 HydrophobicContact CE2-CE2 3.71Å; F60-F82 HydrophobicContact CE2-CZ 4.2Å; F60-F82 HydrophobicContact CG-CD1 4.49Å; F60-F82 HydrophobicContact CG-CE1 4.26Å; F60-F82 HydrophobicContact CG-CZ 4.28Å; F60-W138 HydrophobicContact CB-CH2 3.48Å; F60-W138 VanDerWaalsContact CB-CH2 3.48Å; F60-W138 HydrophobicContact CB-CZ2 4.16Å; F60-W138 HydrophobicContact CB-CZ3 4.16Å; F60-V160 HydrophobicContact CE2-CB 4.15Å; F60-V160 HydrophobicContact CE2-CG1 4.42Å; F60-V160 HydrophobicContact CE2-CG2 4.4Å; F60-V160 HydrophobicContact CZ-CB 4.32Å; F60-V160 HydrophobicContact CZ-CG1 4.25Å; F60-V263 HydrophobicContact CB-CG1 4.43Å; F60-V263 HydrophobicContact CD1-CG1 4.23Å; F60-V263 HydrophobicContact CG-CG1 4.31Å; F60-V267 HydrophobicContact CD1-CB 4.17Å; F60-V267 HydrophobicContact CD1-CG1 3.7Å; F60-V267 HydrophobicContact CE1-CB 4.26Å; F60-V267 HydrophobicContact CE1-CG1 3.98Å
61L98.4Very high91.1Very high0 Ų032.3 Ų32.30%021%0.21CC..EExtended strand (participates in β ladder)trans-86.6125.1173-178.767.1000107.9L24 L35 G36 G80 L81 L83 L102 F104L24-L61 HydrophobicContact CD1-CD1 4.07Å; L24-L61 HydrophobicContact CD1-CD2 4.3Å; L35-L61 HydrophobicContact CD1-CD1 3.8Å; L35-L61 HydrophobicContact CD1-CG 4.48Å; G36-L61 WeakPolarHBondContact O-CD1 3.2Å; L61-G80 CarbonylContact O-C 3.45Å; L61-G80 WeakPolarHBondContact O-CA 3.25Å; L61-L81 HydrophobicContact CB-CD2 4.12Å; L61-L81 HydrophobicContact CB-CG 4.44Å; L61-L81 HydrophobicContact CD2-CD2 4.06Å; L61-L81 HydrophobicContact CG-CD2 4.29Å; L61-L81 PolarHBondContact N-O 2.87Å; L61-L81 PolarHBondContact O-N 2.82Å; L61-L83 HydrophobicContact CB-CD1 3.86Å; L61-L83 HydrophobicContact CB-CG 4.49Å; L61-L83 HydrophobicContact CD2-CD1 4.11Å; L61-L102 HydrophobicContact CD2-CD1 3.85Å; L61-F104 HydrophobicContact CD2-CZ 3.9Å
62H98Very high89.7Confident5 Ų535.1 Ų35.12%0.02324%0.24CC..EExtended strand (participates in β ladder)trans-137.1151179.656.6100.3000111.3G36 D38 F60 K78 S79 V267G36-H62 PolarHBondContact N-O 2.74Å; G36-H62 PolarHBondContact O-N 3.06Å; G36-H62 VanDerWaalsContact O-O 3.13Å; D38-H62 PolarHBondContact O-NE2 3.45Å; F60-H62 HydrophobicContact CD1-CB 4.19Å; F60-H62 AromaticContact CD1-CD2 3.7Å; F60-H62 HydrophobicContact CE1-CB 3.78Å; F60-H62 HydrophobicContact CZ-CB 4.31Å; F60-H62 PolarHBondContact O-CD2 2.91Å; H62-K78 HydrophobicContact CB-CD 4.2Å; H62-K78 HydrophobicContact CB-CG 4.34Å; H62-K78 PolarHBondContact ND1-NZ 3.39Å; H62-S79 CarbonylContact C-O 3.57Å; H62-S79 VanDerWaalsContact CA-O 3.23Å; H62-S79 WeakPolarHBondContact CA-O 3.39Å; H62-V267 WeakPolarHBondContact NE2-CG1 3.45Å
63F97.1Very high88.5Confident2 Ų235.8 Ų35.81%0.00925%0.252CS..EExtended strand (participates in β ladder)trans-153156-18055.2-87.1000112T33 E34 L35 K78 S79 L81 W95 D101 L102T33-F63 HydrophobicContact CG2-CB 4.23Å; E34-F63 CarbonylContact O-C 3.43Å; E34-F63 WeakPolarHBondContact O-CA 3.25Å; E34-F63 VanDerWaalsContact O-CB 3.27Å; E34-F63 WeakPolarHBondContact O-CB 3.37Å; L35-F63 HydrophobicContact CD1-CB 3.78Å; L35-F63 HydrophobicContact CD1-CD1 4.44Å; F63-K78 WeakPolarHBondContact O-CA 3.29Å; F63-S79 PolarHBondContact N-O 2.94Å; F63-S79 PolarHBondContact O-N 3.36Å; F63-L81 HydrophobicContact CE1-CD2 4.42Å; F63-W95 AromaticContact CD2-CH2 3.85Å; F63-W95 HydrophobicContact CD2-CH2 3.85Å; F63-W95 AromaticContact CD2-CZ3 3.71Å; F63-W95 HydrophobicContact CD2-CZ3 3.71Å; F63-W95 AromaticContact CE2-CH2 3.84Å; F63-W95 HydrophobicContact CE2-CH2 3.84Å; F63-W95 AromaticContact CE2-CZ3 3.69Å; F63-W95 HydrophobicContact CE2-CZ3 3.69Å; F63-W95 HydrophobicContact CG-CZ3 4.43Å; F63-W95 HydrophobicContact CZ-CZ3 4.42Å; F63-D101 VanDerWaalsContact CZ-OD1 3.3Å; F63-D101 WeakPolarHBondContact CZ-OD1 3.46Å; F63-L102 HydrophobicContact CD1-CD1 3.98Å; F63-L102 HydrophobicContact CE1-CD1 3.87Å; F63-L102 HydrophobicContact CE1-CG 4.24Å
64C95.4Very high87.8Confident7 Ų741.5 Ų41.55%0.04728%0.279CS..EExtended strand (participates in β ladder)trans-123.5114.1170.1-50.70000107.3T33 E34 I75T33-C64 WeakPolarHBondContact CG2-O 3.47Å; E34-C64 HydrophobicContact CB-CB 4.1Å; E34-C64 PolarHBondContact N-O 3.4Å; E34-C64 VanDerWaalsContact N-O 3.13Å; E34-C64 PolarHBondContact O-N 2.91Å; C64-I75 HydrophobicContact CB-CG2 3.29Å
65S91.3Very high87.2Confident9 Ų946 Ų466%0.06330%0.302CS..EExtended strand (participates in β ladder)trans-57.7152.1176.5-1740000110.3G76S65-G76 PolarHBondContact O-N 3.22Å
66V88.9Confident86.8Confident22 Ų2246.1 Ų46.113%0.13331%0.307CS..EExtended strand (participates in β ladder)trans-120.7136.7172.3-69.50000110.4P30 Q31 G32 T33 I75P30-V66 HydrophobicContact CB-CG2 4.4Å; Q31-V66 WeakPolarHBondContact O-CG2 3.25Å; G32-V66 VanDerWaalsContact C-CG2 3.47Å; G32-V66 VanDerWaalsContact O-CG1 3.3Å; G32-V66 WeakPolarHBondContact O-CG1 3.47Å; T33-V66 VanDerWaalsContact N-CG2 3.26Å; V66-I75 HydrophobicContact CG1-CG1 4.07Å
67N80.6Confident86.5Confident72 Ų7246 Ų4639%0.38531%0.306SS..  trans-68.7157.6169.6-84-39.5000111.1C71 E74N67-C71 HydrophobicContact CB-CB 4.34Å; N67-E74 PolarHBondContact N-O 3.3Å; N67-E74 VanDerWaalsContact N-O 3.11Å
68S72.9Confident86.4Confident61 Ų6145.6 Ų45.643%0.42730%0.296SS..  trans-50.4142.3172175.50000110.6S70 C71 G73S68-S70 WeakPolarHBondContact CB-OG 3.18Å; S68-S70 PolarHBondContact O-N 3.03Å; S68-S70 PolarHBondContact OG-N 2.85Å; S68-S70 PolarHBondContact OG-OG 3.11Å; S68-C71 WeakPolarHBondContact O-CA 3.45Å; S68-C71 WeakPolarHBondContact O-CB 3.22Å; S68-C71 PolarHBondContact O-N 3.36Å; S68-G73 PolarHBondContact O-N 2.91Å
69P72.2Confident86.3Confident119 Ų11945.6 Ų45.677%0.77330%0.298SS*.G310 helixtrans-54.7-27.8174.1-25.834000113.3C71 G72P69-C71 PolarHBondContact O-N 3.38Å; P69-G72 PolarHBondContact O-N 3.37Å
70S72.3Confident86.2Confident104 Ų10445.4 Ų45.473%0.72730%0.297SS*.G310 helixtrans-66.1-17.6174.560.70000114S68S68-S70 WeakPolarHBondContact CB-OG 3.18Å; S68-S70 PolarHBondContact O-N 3.03Å; S68-S70 PolarHBondContact OG-N 2.85Å; S68-S70 PolarHBondContact OG-OG 3.11Å
71C67.9Low86.2Confident82 Ų8245.8 Ų45.855%0.55430%0.299SS*.G310 helixtrans-110.820.5-176.5-57.20000112.3N67 S68 P69N67-C71 HydrophobicContact CB-CB 4.34Å; S68-C71 WeakPolarHBondContact O-CA 3.45Å; S68-C71 WeakPolarHBondContact O-CB 3.22Å; S68-C71 PolarHBondContact O-N 3.36Å; P69-C71 PolarHBondContact O-N 3.38Å
72G68.9Low86.2Confident62 Ų6246.5 Ų46.564%0.63930%0.303SS*.THydrogen-bonded Turntrans95.7-10.217700000115.2P69 E74P69-G72 PolarHBondContact O-N 3.37Å; G72-E74 PolarHBondContact O-N 2.6Å
73G73.4Confident86.1Confident35 Ų3547.1 Ų47.136%0.36131%0.306SS..  trans63.727.3176.400000114S68S68-G73 PolarHBondContact O-N 2.91Å
74E82Confident86.1Confident136 Ų13649 Ų4964%0.63632%0.318SS*.PPolyproline II helixtrans-66.5143.1-179.7-64.6-179.2173.100111.2N67 G72N67-E74 PolarHBondContact N-O 3.3Å; N67-E74 VanDerWaalsContact N-O 3.11Å; G72-E74 PolarHBondContact O-N 2.6Å
75I86.2Confident86.2Confident96 Ų9649 Ų4949%0.49232%0.317SS..EExtended strand (participates in β ladder)trans-88.5124.4177.7-59.8173.5000107.8C64 V66C64-I75 HydrophobicContact CB-CG2 3.29Å; V66-I75 HydrophobicContact CG1-CG1 4.07Å
76G88.6Confident86.5Confident24 Ų2455 Ų5525%0.24734%0.342CS..EExtended strand (participates in β ladder)trans-70.4173.317600000112.9S65S65-G76 PolarHBondContact O-N 3.22Å
77P91.1Very high86.9Confident74 Ų7457.7 Ų57.748%0.48136%0.36SS..EExtended strand (participates in β ladder)trans-60.4151.3174.527.2-34.3000111.3F163P77-F163 HydrophobicContact CB-CD1 3.53Å; P77-F163 HydrophobicContact CB-CE1 3.82Å; P77-F163 HydrophobicContact CG-CD1 3.62Å; P77-F163 HydrophobicContact CG-CE1 3.45Å; P77-F163 VanDerWaalsContact CG-CE1 3.45Å; P77-F163 HydrophobicContact CG-CZ 4.43Å
78K94.7Very high87.7Confident21 Ų2161.3 Ų61.39%0.09137%0.368CS..EExtended strand (participates in β ladder)trans-72.3133.3177.4-173.2172.2-69.3-1600110.6H62 F63 A162 V267H62-K78 HydrophobicContact CB-CD 4.2Å; H62-K78 HydrophobicContact CB-CG 4.34Å; H62-K78 PolarHBondContact ND1-NZ 3.39Å; F63-K78 WeakPolarHBondContact O-CA 3.29Å; K78-A162 HydrophobicContact CB-CB 4.19Å; K78-A162 WeakPolarHBondContact O-CB 3.23Å; K78-A162 PolarHBondContact O-N 3.21Å; K78-V267 WeakPolarHBondContact CD-O 3.26Å; K78-V267 PolarHBondContact NZ-O 3.13Å
79S95.8Very high88.8Confident22 Ų2260.9 Ų60.915%0.15436%0.36CS..EExtended strand (participates in β ladder)trans-121.2152169.3-66.10000109.1H62 F63 V160H62-S79 CarbonylContact C-O 3.57Å; H62-S79 VanDerWaalsContact CA-O 3.23Å; H62-S79 WeakPolarHBondContact CA-O 3.39Å; F63-S79 PolarHBondContact N-O 2.94Å; F63-S79 PolarHBondContact O-N 3.36Å; S79-V160 CarbonylContact C-O 3.5Å
80G97Very high90Very high0 Ų055.7 Ų55.70%033%0.325CS..EExtended strand (participates in β ladder)trans-159.9174.4176.300000113.3L61 R159 V160L61-G80 CarbonylContact O-C 3.45Å; L61-G80 WeakPolarHBondContact O-CA 3.25Å; G80-R159 CarbonylContact O-C 3.48Å; G80-R159 WeakPolarHBondContact O-CA 3.26Å; G80-V160 PolarHBondContact N-O 3.14Å; G80-V160 PolarHBondContact O-N 3.34Å
81L97.6Very high91.2Very high9 Ų952 Ų525%0.04730%0.297CS..EExtended strand (participates in β ladder)trans-153.8141.9176.764160.7000110.6L61 F63 L83 F104 G158L61-L81 HydrophobicContact CB-CD2 4.12Å; L61-L81 HydrophobicContact CB-CG 4.44Å; L61-L81 HydrophobicContact CD2-CD2 4.06Å; L61-L81 HydrophobicContact CG-CD2 4.29Å; L61-L81 PolarHBondContact N-O 2.87Å; L61-L81 PolarHBondContact O-N 2.82Å; F63-L81 HydrophobicContact CE1-CD2 4.42Å; L81-L83 HydrophobicContact CD1-CD2 3.61Å; L81-L83 HydrophobicContact CD1-CG 4.38Å; L81-L83 HydrophobicContact CG-CD2 4.1Å; L81-L83 HydrophobicContact CG-CG 4.35Å; L81-F104 HydrophobicContact CD1-CD2 4.28Å; L81-F104 HydrophobicContact CD1-CE2 3.66Å; L81-F104 HydrophobicContact CD1-CZ 4.06Å; L81-F104 HydrophobicContact CD2-CE2 4.33Å; L81-G158 WeakPolarHBondContact CB-O 3.3Å
82F98.2Very high92.7Very high15 Ų1548.1 Ų48.17%0.06627%0.271CS..EExtended strand (participates in β ladder)trans-79.4130.1169.1-70.6-90.1000109.7L58 H59 F60 W138 V160 F260 V263L58-F82 HydrophobicContact CD1-CB 4.22Å; L58-F82 HydrophobicContact CD1-CD1 4.08Å; L58-F82 HydrophobicContact CD2-CD1 4.26Å; L58-F82 HydrophobicContact CG-CD1 4.23Å; H59-F82 CarbonylContact O-C 3.59Å; H59-F82 VanDerWaalsContact O-CA 3.31Å; H59-F82 WeakPolarHBondContact O-CA 3.31Å; F60-F82 HydrophobicContact CB-CD1 4.19Å; F60-F82 HydrophobicContact CB-CE1 4.09Å; F60-F82 AromaticContact CD2-CD1 3.99Å; F60-F82 HydrophobicContact CD2-CD1 3.99Å; F60-F82 AromaticContact CD2-CD2 3.67Å; F60-F82 HydrophobicContact CD2-CD2 3.67Å; F60-F82 AromaticContact CD2-CE1 3.96Å; F60-F82 HydrophobicContact CD2-CE1 3.96Å; F60-F82 AromaticContact CD2-CE2 3.62Å; F60-F82 HydrophobicContact CD2-CE2 3.62Å; F60-F82 AromaticContact CD2-CG 3.87Å; F60-F82 HydrophobicContact CD2-CG 3.87Å; F60-F82 AromaticContact CD2-CZ 3.78Å; F60-F82 HydrophobicContact CD2-CZ 3.78Å; F60-F82 AromaticContact CE2-CD2 3.92Å; F60-F82 HydrophobicContact CE2-CD2 3.92Å; F60-F82 AromaticContact CE2-CE2 3.71Å; F60-F82 HydrophobicContact CE2-CE2 3.71Å; F60-F82 HydrophobicContact CE2-CZ 4.2Å; F60-F82 HydrophobicContact CG-CD1 4.49Å; F60-F82 HydrophobicContact CG-CE1 4.26Å; F60-F82 HydrophobicContact CG-CZ 4.28Å; F82-W138 HydrophobicContact CE1-CH2 4.29Å; F82-V160 HydrophobicContact CD2-CG2 4.24Å; F82-V160 HydrophobicContact CE2-CG2 4.19Å; F82-F260 HydrophobicContact CD1-CE2 4.32Å; F82-F260 HydrophobicContact CD2-CD2 4.33Å; F82-F260 AromaticContact CD2-CE2 3.4Å; F82-F260 HydrophobicContact CD2-CE2 3.4Å; F82-F260 AromaticContact CD2-CZ 3.67Å; F82-F260 HydrophobicContact CD2-CZ 3.67Å; F82-F260 HydrophobicContact CE1-CD2 4.22Å; F82-F260 HydrophobicContact CE1-CE2 4.19Å; F82-F260 AromaticContact CE2-CD2 3.91Å; F82-F260 HydrophobicContact CE2-CD2 3.91Å; F82-F260 HydrophobicContact CE2-CE1 4.13Å; F82-F260 AromaticContact CE2-CE2 3.26Å; F82-F260 HydrophobicContact CE2-CE2 3.26Å; F82-F260 AromaticContact CE2-CZ 3.39Å; F82-F260 HydrophobicContact CE2-CZ 3.39Å; F82-F260 AromaticContact CG-CE2 3.94Å; F82-F260 HydrophobicContact CG-CE2 3.94Å; F82-F260 AromaticContact CZ-CD2 3.83Å; F82-F260 HydrophobicContact CZ-CD2 3.83Å; F82-F260 AromaticContact CZ-CE2 3.68Å; F82-F260 HydrophobicContact CZ-CE2 3.68Å; F82-F260 HydrophobicContact CZ-CG 4.41Å; F82-F260 HydrophobicContact CZ-CZ 4.14Å; F82-V263 HydrophobicContact CE1-CG1 3.9Å; F82-V263 HydrophobicContact CZ-CB 4.17Å; F82-V263 HydrophobicContact CZ-CG1 3.68Å
83L96.8Very high94Very high17 Ų1745.2 Ų45.29%0.08924%0.241CC..EExtended strand (participates in β ladder)trans-117.8139.5177.8-60.6175.7000108.1L24 L58 H59 L61 L81 L85 L91L24-L83 HydrophobicContact CD1-CD1 4.15Å; L24-L83 HydrophobicContact CD2-CD1 3.99Å; L58-L83 CarbonylContact C-O 3.53Å; L58-L83 WeakPolarHBondContact CA-O 3.27Å; H59-L83 PolarHBondContact N-O 3.49Å; H59-L83 PolarHBondContact O-N 3.28Å; L61-L83 HydrophobicContact CB-CD1 3.86Å; L61-L83 HydrophobicContact CB-CG 4.49Å; L61-L83 HydrophobicContact CD2-CD1 4.11Å; L81-L83 HydrophobicContact CD1-CD2 3.61Å; L81-L83 HydrophobicContact CD1-CG 4.38Å; L81-L83 HydrophobicContact CG-CD2 4.1Å; L81-L83 HydrophobicContact CG-CG 4.35Å; L83-L85 HydrophobicContact CB-CD2 4.24Å; L83-L85 HydrophobicContact CB-CG 4.34Å; L83-L91 HydrophobicContact CD1-CD1 4.2Å; L83-L91 HydrophobicContact CD2-CD1 4.1Å
84T96.8Very high95.1Very high43 Ų4347 Ų4726%0.26424%0.24SC..EExtended strand (participates in β ladder)trans-112.5111165.1-58.70000108.3G57 Q147G57-T84 CarbonylContact O-C 3.54Å; G57-T84 WeakPolarHBondContact O-CA 3.34Å; T84-Q147 HydrophobicContact CG2-CB 4.09Å; T84-Q147 HydrophobicContact CG2-CG 3.88Å; T84-Q147 WeakPolarHBondContact OG1-CG 3Å
85L97.3Very high95.8Very high5 Ų541.7 Ų41.73%0.02621%0.214CC..EExtended strand (participates in β ladder)trans-100.1138.2-172.9-59177.7000111.3A22 L24 I54 P56 G57 L83 E89 L91A22-L85 HydrophobicContact CB-CB 3.87Å; A22-L85 HydrophobicContact CB-CD1 3.96Å; A22-L85 HydrophobicContact CB-CG 4.37Å; L24-L85 HydrophobicContact CD2-CD2 4.32Å; I54-L85 HydrophobicContact CB-CD1 4.12Å; I54-L85 HydrophobicContact CD1-CD1 4.15Å; I54-L85 HydrophobicContact CG2-CD1 3.54Å; P56-L85 CarbonylContact C-O 3.55Å; P56-L85 VanDerWaalsContact CA-O 3.27Å; P56-L85 WeakPolarHBondContact CA-O 3.23Å; G57-L85 PolarHBondContact N-O 3.29Å; G57-L85 PolarHBondContact O-N 3.21Å; L83-L85 HydrophobicContact CB-CD2 4.24Å; L83-L85 HydrophobicContact CB-CG 4.34Å; L85-E89 WeakPolarHBondContact CA-OE2 3.46Å; L85-L91 HydrophobicContact CD2-CD1 3.38Å; L85-L91 HydrophobicContact CD2-CG 3.93Å
86K97.3Very high96.2Very high135 Ų13539.8 Ų39.859%0.58721%0.205SC*.PPolyproline II helixtrans-95.3159.5173.8-64.8174.2-175.3169.80110.9R88 E89K86-R88 PolarHBondContact O-N 3.21Å; K86-E89 HydrophobicContact CB-CB 4.22Å; K86-E89 PolarHBondContact N-OE2 2.94Å; K86-E89 VanDerWaalsContact O-CB 3.23Å; K86-E89 WeakPolarHBondContact O-CB 3.27Å; K86-E89 PolarHBondContact O-N 2.84Å
87P97.7Very high96.4Very high80 Ų8043.3 Ų43.352%0.51922%0.223SC..THydrogen-bonded Turntrans-53.6134.8172.2-24.534000111.2P56 E89P56-P87 HydrophobicContact CB-CG 3.99Å; P56-P87 HydrophobicContact CG-CG 4.22Å; P87-E89 PolarHBondContact O-N 3.33Å; P87-E89 VanDerWaalsContact O-N 3.12Å
88R96.6Very high96.4Very high147 Ų14748.4 Ų48.456%0.55524%0.238SC*.THydrogen-bonded Turntrans59.816.2178.6-40.4-171-177173.8-7.8115.5E19 E20 K86E19-R88 WeakPolarHBondContact O-CD 3.03Å; E19-R88 VanDerWaalsContact O-CG 3.31Å; E19-R88 WeakPolarHBondContact O-CG 3.45Å; E20-R88 VanDerWaalsContact CD-NH2 3.25Å; E20-R88 PolarHBondContact O-N 2.98Å; E20-R88 IonicContact OE1-CZ 3.79Å; E20-R88 IonicContact OE1-NE 3.47Å; E20-R88 IonicContact OE1-NH2 2.68Å; E20-R88 PolarHBondContact OE1-NH2 3.48Å; E20-R88 IonicContact OE2-CZ 3.44Å; E20-R88 IonicContact OE2-NE 3.04Å; E20-R88 PolarHBondContact OE2-NE 3.06Å; E20-R88 IonicContact OE2-NH2 2.84Å; E20-R88 PolarHBondContact OE2-NH2 3.24Å; E20-R88 VanDerWaalsContact OE2-NH2 3.11Å; K86-R88 PolarHBondContact O-N 3.21Å
89E97.1Very high96.3Very high53 Ų5354.2 Ų54.225%0.24827%0.265CS..  trans-71142.4176.9-172.6164.8-146.700110.9A22 T23 L85 K86 P87 L91A22-E89 CarbonylContact C-O 3.59Å; A22-E89 WeakPolarHBondContact CA-O 3.47Å; A22-E89 HydrophobicContact CB-CB 4.26Å; A22-E89 WeakPolarHBondContact CB-O 3.44Å; T23-E89 PolarHBondContact N-O 2.67Å; L85-E89 WeakPolarHBondContact CA-OE2 3.46Å; K86-E89 HydrophobicContact CB-CB 4.22Å; K86-E89 PolarHBondContact N-OE2 2.94Å; K86-E89 VanDerWaalsContact O-CB 3.23Å; K86-E89 WeakPolarHBondContact O-CB 3.27Å; K86-E89 PolarHBondContact O-N 2.84Å; P87-E89 PolarHBondContact O-N 3.33Å; P87-E89 VanDerWaalsContact O-N 3.12Å; E89-L91 HydrophobicContact CG-CD2 4.23Å
90I97.8Very high96.1Very high10 Ų1057.2 Ų57.25%0.05128%0.277CS..EExtended strand (participates in β ladder)trans-119.4115.5173.7-62.2174.9000107T23 V25 V113 I116 R117 L120T23-I90 VanDerWaalsContact O-CA 3.32Å; T23-I90 WeakPolarHBondContact O-CA 3.37Å; V25-I90 HydrophobicContact CG2-CG2 4.22Å; I90-V113 HydrophobicContact CB-CG1 4.12Å; I90-V113 HydrophobicContact CG2-CG1 4.5Å; I90-I116 HydrophobicContact CG2-CG2 3.91Å; I90-R117 HydrophobicContact CD1-CB 3.73Å; I90-R117 HydrophobicContact CD1-CG 4.05Å; I90-L120 HydrophobicContact CD1-CD2 4.32Å
91L97.7Very high96Very high26 Ų2658.9 Ų58.914%0.13629%0.286CS..EExtended strand (participates in β ladder)trans-99.7120.9168.2-59.5-176.1000109T23 L24 V25 L83 L85 E89 F104 S107T23-L91 PolarHBondContact O-N 3.07Å; L24-L91 CarbonylContact C-O 3.56Å; L24-L91 WeakPolarHBondContact CA-O 3.22Å; L24-L91 HydrophobicContact CD2-CB 3.64Å; L24-L91 HydrophobicContact CD2-CD1 3.73Å; L24-L91 HydrophobicContact CD2-CG 4.02Å; V25-L91 PolarHBondContact N-O 2.92Å; L83-L91 HydrophobicContact CD1-CD1 4.2Å; L83-L91 HydrophobicContact CD2-CD1 4.1Å; L85-L91 HydrophobicContact CD2-CD1 3.38Å; L85-L91 HydrophobicContact CD2-CG 3.93Å; E89-L91 HydrophobicContact CG-CD2 4.23Å; L91-F104 HydrophobicContact CB-CD1 4.35Å; L91-F104 HydrophobicContact CB-CE1 4.32Å; L91-S107 WeakPolarHBondContact CA-OG 3.47Å
92L97.6Very high95.9Very high1 Ų158.5 Ų58.51%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-101.8120.7176.117961.1000110V25 L27 A106 S107 E112 I116V25-L92 HydrophobicContact CB-CD1 3.97Å; V25-L92 HydrophobicContact CG1-CD1 3.75Å; V25-L92 WeakPolarHBondContact O-CA 3.29Å; L27-L92 HydrophobicContact CD1-CD1 3.83Å; L27-L92 HydrophobicContact CG-CD1 4.13Å; L92-A106 HydrophobicContact CB-CB 4.41Å; L92-A106 HydrophobicContact CD2-CB 3.7Å; L92-A106 HydrophobicContact CG-CB 3.84Å; L92-S107 VanDerWaalsContact C-OG 3.31Å; L92-S107 PolarHBondContact N-OG 2.75Å; L92-S107 PolarHBondContact O-N 3.26Å; L92-S107 PolarHBondContact O-OG 3.35Å; L92-E112 HydrophobicContact CD2-CB 4.19Å; L92-I116 HydrophobicContact CD1-CG1 4.35Å; L92-I116 HydrophobicContact CD2-CG1 4.09Å
93A97.4Very high95.8Very high0 Ų061.4 Ų61.40%030%0.3CS..EExtended strand (participates in β ladder)trans-126144.4173.500000112V25 L26 L27 L102 D103 F104V25-A93 PolarHBondContact O-N 2.83Å; L26-A93 HydrophobicContact CD2-CB 3.81Å; L27-A93 PolarHBondContact N-O 2.59Å; A93-L102 HydrophobicContact CB-CB 4.14Å; A93-L102 HydrophobicContact CB-CD2 4.22Å; A93-D103 CarbonylContact C-O 3.55Å; A93-D103 WeakPolarHBondContact CA-O 3.41Å; A93-F104 HydrophobicContact CB-CD1 3.75Å; A93-F104 HydrophobicContact CB-CD2 4.27Å; A93-F104 HydrophobicContact CB-CE1 3.68Å; A93-F104 HydrophobicContact CB-CE2 4.2Å; A93-F104 HydrophobicContact CB-CG 4.06Å; A93-F104 HydrophobicContact CB-CZ 3.9Å
94H96.9Very high95.7Very high74 Ų7462 Ų6234%0.34330%0.302SS..EExtended strand (participates in β ladder)trans-110.7135.2170.7-67.481.3000109.2L27 D96 D103L27-H94 WeakPolarHBondContact O-CA 3.09Å; H94-D96 PolarHBondContact O-N 3.43Å; H94-D103 PolarHBondContact N-O 2.83Å; H94-D103 PolarHBondContact O-N 2.83Å
95W96.3Very high95.6Very high23 Ų2363 Ų639%0.08731%0.311CS..EExtended strand (participates in β ladder)trans-67.9126171-174.6-96.3000109.9L27 G28 V29 P30 F63 P97 E100 D101 L102L27-W95 PolarHBondContact O-N 3.45Å; G28-W95 VanDerWaalsContact C-CB 3.49Å; G28-W95 WeakPolarHBondContact O-CB 3.48Å; V29-W95 HydrophobicContact CG1-CE3 4.42Å; V29-W95 HydrophobicContact CG2-CB 4.48Å; V29-W95 HydrophobicContact CG2-CE3 4.48Å; P30-W95 HydrophobicContact CG-CD2 4.45Å; P30-W95 HydrophobicContact CG-CZ2 4.31Å; F63-W95 AromaticContact CD2-CH2 3.85Å; F63-W95 HydrophobicContact CD2-CH2 3.85Å; F63-W95 AromaticContact CD2-CZ3 3.71Å; F63-W95 HydrophobicContact CD2-CZ3 3.71Å; F63-W95 AromaticContact CE2-CH2 3.84Å; F63-W95 HydrophobicContact CE2-CH2 3.84Å; F63-W95 AromaticContact CE2-CZ3 3.69Å; F63-W95 HydrophobicContact CE2-CZ3 3.69Å; F63-W95 HydrophobicContact CG-CZ3 4.43Å; F63-W95 HydrophobicContact CZ-CZ3 4.42Å; W95-P97 WeakPolarHBondContact O-CD 3.49Å; W95-E100 VanDerWaalsContact CH2-C 3.41Å; W95-E100 HydrophobicContact CH2-CB 4.47Å; W95-E100 WeakPolarHBondContact CH2-O 3.29Å; W95-E100 VanDerWaalsContact CZ2-C 3.4Å; W95-E100 HydrophobicContact CZ2-CB 3.94Å; W95-D101 CarbonylContact C-O 3.45Å; W95-D101 WeakPolarHBondContact CA-O 3.38Å; W95-L102 HydrophobicContact CE3-CD2 3.86Å; W95-L102 HydrophobicContact CE3-CG 4.11Å; W95-L102 HydrophobicContact CZ3-CG 4.36Å
96D95.4Very high95.4Very high56 Ų5663.1 Ų63.130%0.29931%0.312SS..EExtended strand (participates in β ladder)trans-93.2110.2168-170.1-23.6000109.1H94 K98 E99 E100 D101H94-D96 PolarHBondContact O-N 3.43Å; D96-K98 PolarHBondContact O-N 2.86Å; D96-K98 WeakPolarHBondContact OD1-CB 3.37Å; D96-K98 PolarHBondContact OD1-N 3.11Å; D96-E99 HydrophobicContact CB-CB 4.32Å; D96-E99 PolarHBondContact O-N 3.13Å; D96-E100 WeakPolarHBondContact O-CA 3.47Å; D96-E100 PolarHBondContact O-N 2.78Å; D96-D101 PolarHBondContact N-O 2.66Å; D96-D101 PolarHBondContact O-N 3.11Å
97P91.8Very high95.3Very high99 Ų9957.8 Ų57.864%0.64329%0.292SS*.THydrogen-bonded Turntrans-65.8-16.9179.2-19.432.6000114.5W95W95-P97 WeakPolarHBondContact O-CD 3.49Å
98K91.9Very high95.1Very high181 Ų18162.9 Ų62.979%0.78731%0.306SS*.THydrogen-bonded Turntrans-84.2-43.3-179.7-64.5179.9-178.7174.50111.8D96 E100D96-K98 PolarHBondContact O-N 2.86Å; D96-K98 WeakPolarHBondContact OD1-CB 3.37Å; D96-K98 PolarHBondContact OD1-N 3.11Å; K98-E100 VanDerWaalsContact C-N 3.35Å
99E90.9Very high95Very high143 Ų14358.7 Ų58.767%0.66830%0.295SS*.THydrogen-bonded Turntrans-87.9-10.5178.8-57.8-58.7137.400112D96 D101D96-E99 HydrophobicContact CB-CB 4.32Å; D96-E99 PolarHBondContact O-N 3.13Å; E99-D101 HydrophobicContact CB-CB 4.15Å; E99-D101 PolarHBondContact O-N 2.79Å
100E92.1Very high94.9Very high85 Ų8562 Ų6240%0.39731%0.314SS..THydrogen-bonded Turntrans52.243.9-173.9-57.6-167.4140.400112.2W95 D96 K98W95-E100 VanDerWaalsContact CH2-C 3.41Å; W95-E100 HydrophobicContact CH2-CB 4.47Å; W95-E100 WeakPolarHBondContact CH2-O 3.29Å; W95-E100 VanDerWaalsContact CZ2-C 3.4Å; W95-E100 HydrophobicContact CZ2-CB 3.94Å; D96-E100 WeakPolarHBondContact O-CA 3.47Å; D96-E100 PolarHBondContact O-N 2.78Å; K98-E100 VanDerWaalsContact C-N 3.35Å
101D94.5Very high94.7Very high35 Ų3569 Ų6919%0.18735%0.346CS..EExtended strand (participates in β ladder)trans-142166.1-169.3-169.118.4000112.1F63 W95 D96 E99 R159F63-D101 VanDerWaalsContact CZ-OD1 3.3Å; F63-D101 WeakPolarHBondContact CZ-OD1 3.46Å; W95-D101 CarbonylContact C-O 3.45Å; W95-D101 WeakPolarHBondContact CA-O 3.38Å; D96-D101 PolarHBondContact N-O 2.66Å; D96-D101 PolarHBondContact O-N 3.11Å; E99-D101 HydrophobicContact CB-CB 4.15Å; E99-D101 PolarHBondContact O-N 2.79Å; D101-R159 IonicContact OD1-CZ 2.79Å; D101-R159 IonicContact OD1-NE 2.66Å; D101-R159 PolarHBondContact OD1-NE 2.85Å; D101-R159 IonicContact OD1-NH2 3.96Å; D101-R159 PolarHBondContact OD1-NH2 3.07Å; D101-R159 IonicContact OD2-CZ 3.57Å; D101-R159 IonicContact OD2-NE 3.69Å; D101-R159 PolarHBondContact OD2-NE 3.25Å; D101-R159 IonicContact OD2-NH2 3.44Å; D101-R159 PolarHBondContact OD2-NH2 2.82Å
102L96Very high94.6Very high1 Ų170.1 Ų70.11%0.00535%0.351CS..EExtended strand (participates in β ladder)trans-93.9111.8176.7-69.4170.4000111.1L26 V29 L61 F63 A93 W95 F104 R159L26-L102 HydrophobicContact CD2-CD1 4.2Å; L26-L102 HydrophobicContact CD2-CD2 4.26Å; V29-L102 HydrophobicContact CG2-CD2 3.99Å; L61-L102 HydrophobicContact CD2-CD1 3.85Å; F63-L102 HydrophobicContact CD1-CD1 3.98Å; F63-L102 HydrophobicContact CE1-CD1 3.87Å; F63-L102 HydrophobicContact CE1-CG 4.24Å; A93-L102 HydrophobicContact CB-CB 4.14Å; A93-L102 HydrophobicContact CB-CD2 4.22Å; W95-L102 HydrophobicContact CE3-CD2 3.86Å; W95-L102 HydrophobicContact CE3-CG 4.11Å; W95-L102 HydrophobicContact CZ3-CG 4.36Å; L102-F104 HydrophobicContact CB-CD2 4.34Å; L102-F104 HydrophobicContact CB-CE2 3.65Å; L102-F104 HydrophobicContact CB-CZ 4.19Å; L102-F104 HydrophobicContact CD1-CZ 4.39Å; L102-F104 VanDerWaalsContact O-CD2 3.24Å; L102-F104 WeakPolarHBondContact O-CD2 3.31Å; L102-R159 PolarHBondContact O-NH2 2.8Å
103D96Very high94.5Very high75 Ų7570.5 Ų70.540%0.40135%0.353SS..EExtended strand (participates in β ladder)trans-84.5113.8172.3-179.919.2000111.3A93 H94 S105A93-D103 CarbonylContact C-O 3.55Å; A93-D103 WeakPolarHBondContact CA-O 3.41Å; H94-D103 PolarHBondContact N-O 2.83Å; H94-D103 PolarHBondContact O-N 2.83Å; D103-S105 WeakPolarHBondContact OD1-CB 3.17Å; D103-S105 PolarHBondContact OD1-N 3.04Å; D103-S105 PolarHBondContact OD1-OG 3.39Å; D103-S105 WeakPolarHBondContact OD2-CB 3.42Å; D103-S105 PolarHBondContact OD2-OG 3.31Å
104F95.9Very high94.3Very high31 Ų3174.4 Ų74.414%0.13637%0.374CS..  trans-91.28.9177.6-68.8-93.3000113.5L61 L81 L91 A93 L102 A106 S107L61-F104 HydrophobicContact CD2-CZ 3.9Å; L81-F104 HydrophobicContact CD1-CD2 4.28Å; L81-F104 HydrophobicContact CD1-CE2 3.66Å; L81-F104 HydrophobicContact CD1-CZ 4.06Å; L81-F104 HydrophobicContact CD2-CE2 4.33Å; L91-F104 HydrophobicContact CB-CD1 4.35Å; L91-F104 HydrophobicContact CB-CE1 4.32Å; A93-F104 HydrophobicContact CB-CD1 3.75Å; A93-F104 HydrophobicContact CB-CD2 4.27Å; A93-F104 HydrophobicContact CB-CE1 3.68Å; A93-F104 HydrophobicContact CB-CE2 4.2Å; A93-F104 HydrophobicContact CB-CG 4.06Å; A93-F104 HydrophobicContact CB-CZ 3.9Å; L102-F104 HydrophobicContact CB-CD2 4.34Å; L102-F104 HydrophobicContact CB-CE2 3.65Å; L102-F104 HydrophobicContact CB-CZ 4.19Å; L102-F104 HydrophobicContact CD1-CZ 4.39Å; L102-F104 VanDerWaalsContact O-CD2 3.24Å; L102-F104 WeakPolarHBondContact O-CD2 3.31Å; F104-A106 PolarHBondContact O-N 2.95Å; F104-S107 WeakPolarHBondContact O-CB 3.49Å; F104-S107 PolarHBondContact O-N 3.41Å
105S94.8Very high94.3Very high64 Ų6477.1 Ų77.145%0.44838%0.382SS..G310 helixtrans-52.5-39.517866.30000112.4D103 S107 K108D103-S105 WeakPolarHBondContact OD1-CB 3.17Å; D103-S105 PolarHBondContact OD1-N 3.04Å; D103-S105 PolarHBondContact OD1-OG 3.39Å; D103-S105 WeakPolarHBondContact OD2-CB 3.42Å; D103-S105 PolarHBondContact OD2-OG 3.31Å; S105-S107 PolarHBondContact O-N 2.9Å; S105-K108 WeakPolarHBondContact O-CB 3.25Å; S105-K108 PolarHBondContact O-N 3.21Å
106A92.9Very high94.2Very high6 Ų676.9 Ų76.95%0.0538%0.382CS..G310 helixtrans-64.2-25.1177.600000113.5L92 F104 K108 N109L92-A106 HydrophobicContact CB-CB 4.41Å; L92-A106 HydrophobicContact CD2-CB 3.7Å; L92-A106 HydrophobicContact CG-CB 3.84Å; F104-A106 PolarHBondContact O-N 2.95Å; A106-K108 PolarHBondContact O-N 2.89Å; A106-N109 PolarHBondContact O-N 3.35Å
107S94.3Very high94.2Very high24 Ų2479.7 Ų79.717%0.16839%0.388CS..G310 helixtrans-66.5-21.4172.6-62.40000112.9L91 L92 F104 S105 N109L91-S107 WeakPolarHBondContact CA-OG 3.47Å; L92-S107 VanDerWaalsContact C-OG 3.31Å; L92-S107 PolarHBondContact N-OG 2.75Å; L92-S107 PolarHBondContact O-N 3.26Å; L92-S107 PolarHBondContact O-OG 3.35Å; F104-S107 WeakPolarHBondContact O-CB 3.49Å; F104-S107 PolarHBondContact O-N 3.41Å; S105-S107 PolarHBondContact O-N 2.9Å; S107-N109 VanDerWaalsContact C-N 3.31Å
108K93.3Very high94.4Very high186 Ų18679.5 Ų79.581%0.80939%0.389SS*.G310 helixtrans-86.9-4.3178-57.4-179.9-178.7175.30112.5S105 A106S105-K108 WeakPolarHBondContact O-CB 3.25Å; S105-K108 PolarHBondContact O-N 3.21Å; A106-K108 PolarHBondContact O-N 2.89Å
109N95Very high94.5Very high60 Ų6072.9 Ų72.932%0.32136%0.364SS..  trans-100.3102.5179.3-172.9-17.2000110.6A106 S107 E111 E112 V113A106-N109 PolarHBondContact O-N 3.35Å; S107-N109 VanDerWaalsContact C-N 3.31Å; N109-E111 PolarHBondContact O-N 3.34Å; N109-E111 PolarHBondContact OD1-N 2.86Å; N109-E112 HydrophobicContact CB-CB 4.22Å; N109-E112 HydrophobicContact CB-CG 4.12Å; N109-E112 PolarHBondContact ND2-OE1 3.27Å; N109-E112 VanDerWaalsContact ND2-OE1 3.16Å; N109-E112 PolarHBondContact O-N 3Å; N109-E112 VanDerWaalsContact O-N 3.14Å; N109-V113 WeakPolarHBondContact O-CG2 3.21Å; N109-V113 PolarHBondContact O-N 3.05Å
110D94.4Very high94.7Very high123 Ų12367.3 Ų67.366%0.65834%0.338SS*.Hα-helixtrans-57.6-34.2-176.9-73.7-27.2000113.3N114D110-N114 WeakPolarHBondContact O-CB 3.47Å; D110-N114 PolarHBondContact O-N 2.7Å; D110-N114 PolarHBondContact O-ND2 2.51Å
111E94.8Very high94.7Very high155 Ų15572.5 Ų72.572%0.72435%0.354SS*.Hα-helixtrans-66.6-42.3179.3-64.6-176.217600111.4N109 N114 R115N109-E111 PolarHBondContact O-N 3.34Å; N109-E111 PolarHBondContact OD1-N 2.86Å; E111-N114 PolarHBondContact O-N 3.09Å; E111-R115 WeakPolarHBondContact O-CB 3.18Å; E111-R115 PolarHBondContact O-N 2.9Å
112E93.8Very high94.8Very high50 Ų5077.7 Ų77.723%0.23438%0.378CS..Hα-helixtrans-68.5-44.6178.2-65-160.3-131.800111.8L92 N109 N114 R115 I116L92-E112 HydrophobicContact CD2-CB 4.19Å; N109-E112 HydrophobicContact CB-CB 4.22Å; N109-E112 HydrophobicContact CB-CG 4.12Å; N109-E112 PolarHBondContact ND2-OE1 3.27Å; N109-E112 VanDerWaalsContact ND2-OE1 3.16Å; N109-E112 PolarHBondContact O-N 3Å; N109-E112 VanDerWaalsContact O-N 3.14Å; E112-N114 VanDerWaalsContact C-N 3.3Å; E112-N114 PolarHBondContact O-N 3.4Å; E112-R115 WeakPolarHBondContact O-CB 3.41Å; E112-R115 PolarHBondContact O-N 3.29Å; E112-R115 IonicContact OE2-NH2 3.74Å; E112-R115 PolarHBondContact OE2-NH2 3.17Å; E112-I116 WeakPolarHBondContact O-CG1 3.38Å; E112-I116 PolarHBondContact O-N 3.44Å
113V95.3Very high94.7Very high9 Ų978.5 Ų78.56%0.05538%0.382CS..Hα-helixtrans-61.7-40.9176.3176.10000110.6I90 N109 I116 R117I90-V113 HydrophobicContact CB-CG1 4.12Å; I90-V113 HydrophobicContact CG2-CG1 4.5Å; N109-V113 WeakPolarHBondContact O-CG2 3.21Å; N109-V113 PolarHBondContact O-N 3.05Å; V113-I116 PolarHBondContact O-N 2.76Å; V113-R117 WeakPolarHBondContact O-CB 3.32Å; V113-R117 PolarHBondContact O-N 3.23Å
114N95Very high94.7Very high83 Ų8377.3 Ų77.344%0.44438%0.376SS..Hα-helixtrans-65.9-36.8176.5-78.4-39.6000112.9D110 E111 E112 R117 S118D110-N114 WeakPolarHBondContact O-CB 3.47Å; D110-N114 PolarHBondContact O-N 2.7Å; D110-N114 PolarHBondContact O-ND2 2.51Å; E111-N114 PolarHBondContact O-N 3.09Å; E112-N114 VanDerWaalsContact C-N 3.3Å; E112-N114 PolarHBondContact O-N 3.4Å; N114-R117 WeakPolarHBondContact O-CB 3.37Å; N114-R117 PolarHBondContact O-N 2.79Å; N114-R117 PolarHBondContact OD1-NH1 2.82Å; N114-S118 PolarHBondContact O-N 2.74Å
115R95.1Very high94.7Very high131 Ų13180 Ų8049%0.49440%0.396SS..Hα-helixtrans-65-41.3173.5-179.3-176.863.8-122.3-1112E111 E112 S118 T119E111-R115 WeakPolarHBondContact O-CB 3.18Å; E111-R115 PolarHBondContact O-N 2.9Å; E112-R115 WeakPolarHBondContact O-CB 3.41Å; E112-R115 PolarHBondContact O-N 3.29Å; E112-R115 IonicContact OE2-NH2 3.74Å; E112-R115 PolarHBondContact OE2-NH2 3.17Å; R115-S118 PolarHBondContact O-OG 3.35Å; R115-T119 PolarHBondContact O-N 3.47Å; R115-T119 PolarHBondContact O-OG1 2.89Å
116I95.4Very high94.8Very high17 Ų1780.6 Ų80.69%0.08739%0.389CS..Hα-helixtrans-65.5-42.7173.7-66.5-60.4000110.6V25 I90 L92 E112 V113 S118 T119 L120 L123V25-I116 HydrophobicContact CG2-CG2 3.86Å; I90-I116 HydrophobicContact CG2-CG2 3.91Å; L92-I116 HydrophobicContact CD1-CG1 4.35Å; L92-I116 HydrophobicContact CD2-CG1 4.09Å; E112-I116 WeakPolarHBondContact O-CG1 3.38Å; E112-I116 PolarHBondContact O-N 3.44Å; V113-I116 PolarHBondContact O-N 2.76Å; I116-S118 VanDerWaalsContact C-N 3.34Å; I116-S118 PolarHBondContact O-N 3.27Å; I116-T119 CarbonylContact O-C 3.54Å; I116-T119 PolarHBondContact O-N 2.96Å; I116-T119 VanDerWaalsContact O-N 3.11Å; I116-T119 PolarHBondContact O-OG1 2.83Å; I116-L120 PolarHBondContact O-N 2.79Å; I116-L123 HydrophobicContact CD1-CD1 4.28Å; I116-L123 HydrophobicContact CG2-CD1 3.99Å
117R95.4Very high95Very high116 Ų11680.7 Ų80.744%0.43839%0.389SS..Hα-helixtrans-57.3-43.3177.4-172.6174.6-71.5120.30.9112.7I90 V113 N114 T119 L120I90-R117 HydrophobicContact CD1-CB 3.73Å; I90-R117 HydrophobicContact CD1-CG 4.05Å; V113-R117 WeakPolarHBondContact O-CB 3.32Å; V113-R117 PolarHBondContact O-N 3.23Å; N114-R117 WeakPolarHBondContact O-CB 3.37Å; N114-R117 PolarHBondContact O-N 2.79Å; N114-R117 PolarHBondContact OD1-NH1 2.82Å; R117-T119 VanDerWaalsContact C-N 3.26Å; R117-T119 PolarHBondContact O-N 2.9Å; R117-L120 WeakPolarHBondContact O-CB 3.49Å; R117-L120 PolarHBondContact O-N 2.95Å
118S95.1Very high95.1Very high95 Ų9580.7 Ų80.766%0.66439%0.392SS*.Hα-helixtrans-68.7-25.217963.50000113.3N114 R115 I116N114-S118 PolarHBondContact O-N 2.74Å; R115-S118 PolarHBondContact O-OG 3.35Å; I116-S118 VanDerWaalsContact C-N 3.34Å; I116-S118 PolarHBondContact O-N 3.27Å
119T94.7Very high95.3Very high42 Ų4275.6 Ų75.626%0.25838%0.378SS..Hα-helixtrans-104.15.5-178.853.60000113.4R115 I116 R117 R121 E122 L123R115-T119 PolarHBondContact O-N 3.47Å; R115-T119 PolarHBondContact O-OG1 2.89Å; I116-T119 CarbonylContact O-C 3.54Å; I116-T119 PolarHBondContact O-N 2.96Å; I116-T119 VanDerWaalsContact O-N 3.11Å; I116-T119 PolarHBondContact O-OG1 2.83Å; R117-T119 VanDerWaalsContact C-N 3.26Å; R117-T119 PolarHBondContact O-N 2.9Å; T119-R121 VanDerWaalsContact C-N 3.26Å; T119-R121 PolarHBondContact O-N 3.46Å; T119-R121 VanDerWaalsContact O-N 3.15Å; T119-E122 WeakPolarHBondContact O-CA 2.91Å; T119-E122 WeakPolarHBondContact O-CB 3.25Å; T119-E122 PolarHBondContact O-N 3.05Å; T119-L123 PolarHBondContact O-N 3.22Å; T119-L123 VanDerWaalsContact O-N 3.17Å
120L94.1Very high95.4Very high25 Ų2573 Ų7313%0.13136%0.364CS..Hα-helixtrans-58.3-36-172.1-173.764000113.1F18 T23 I90 I116 R117 E122 L123 D124 L127F18-L120 HydrophobicContact CE2-CG 4.4Å; F18-L120 HydrophobicContact CZ-CD2 4.22Å; F18-L120 HydrophobicContact CZ-CG 3.87Å; T23-L120 HydrophobicContact CG2-CD1 4.01Å; I90-L120 HydrophobicContact CD1-CD2 4.32Å; I116-L120 PolarHBondContact O-N 2.79Å; R117-L120 WeakPolarHBondContact O-CB 3.49Å; R117-L120 PolarHBondContact O-N 2.95Å; L120-E122 VanDerWaalsContact C-N 3.3Å; L120-E122 PolarHBondContact O-N 2.76Å; L120-L123 WeakPolarHBondContact O-CB 3.2Å; L120-L123 PolarHBondContact O-N 3.43Å; L120-L123 VanDerWaalsContact O-N 3.15Å; L120-D124 PolarHBondContact O-N 2.9Å; L120-L127 HydrophobicContact CD1-CD1 4.01Å
121R93.4Very high95.4Very high194 Ų19467.6 Ų67.673%0.73234%0.335SS*.Hα-helixtrans-64.9-32.2175.9-70.5-177.2176.5179.9-2.2113F18 T119 L123 D124F18-R121 HydrophobicContact CE1-CG 4.25Å; T119-R121 VanDerWaalsContact C-N 3.26Å; T119-R121 PolarHBondContact O-N 3.46Å; T119-R121 VanDerWaalsContact O-N 3.15Å; R121-L123 VanDerWaalsContact C-N 3.33Å; R121-D124 WeakPolarHBondContact O-CB 3.35Å
122E95.6Very high95.5Very high145 Ų14562.6 Ų62.668%0.67831%0.31SS*.Hα-helixtrans-75.6-27.7175.5-58.5176.8-168.200111.4T119 L120 P125T119-E122 WeakPolarHBondContact O-CA 2.91Å; T119-E122 WeakPolarHBondContact O-CB 3.25Å; T119-E122 PolarHBondContact O-N 3.05Å; L120-E122 VanDerWaalsContact C-N 3.3Å; L120-E122 PolarHBondContact O-N 2.76Å; E122-P125 WeakPolarHBondContact O-CD 3.49Å
123L95Very high95.5Very high18 Ų1864.7 Ų64.79%0.09432%0.32CS..Hα-helixtrans-77.3-20.7174.5-70.2173.6000113.3I116 T119 L120 R121 P125 Y126 L127I116-L123 HydrophobicContact CD1-CD1 4.28Å; I116-L123 HydrophobicContact CG2-CD1 3.99Å; T119-L123 PolarHBondContact O-N 3.22Å; T119-L123 VanDerWaalsContact O-N 3.17Å; L120-L123 WeakPolarHBondContact O-CB 3.2Å; L120-L123 PolarHBondContact O-N 3.43Å; L120-L123 VanDerWaalsContact O-N 3.15Å; R121-L123 VanDerWaalsContact C-N 3.33Å; L123-P125 VanDerWaalsContact C-N 3.33Å; L123-P125 VanDerWaalsContact O-N 3.14Å; L123-Y126 WeakPolarHBondContact O-CA 3.31Å; L123-Y126 WeakPolarHBondContact O-CB 3.43Å; L123-Y126 PolarHBondContact O-N 3.46Å; L123-L127 HydrophobicContact CB-CD1 4.17Å; L123-L127 PolarHBondContact O-N 2.86Å
124D95.5Very high95.4Very high50 Ų5065.3 Ų65.327%0.26732%0.324SS..G310 helixtrans-48-41.5-175-171.858.6000115.5F18 K52 L120 R121 Y126 L127F18-D124 WeakPolarHBondContact CD2-OD1 3.21Å; F18-D124 HydrophobicContact CE2-CB 4.14Å; F18-D124 WeakPolarHBondContact CE2-OD1 3.47Å; F18-D124 HydrophobicContact CZ-CB 4.05Å; K52-D124 WeakPolarHBondContact CD-OD1 3.42Å; K52-D124 WeakPolarHBondContact CE-OD1 3.49Å; K52-D124 PolarHBondContact NZ-O 2.81Å; K52-D124 VanDerWaalsContact NZ-O 3.07Å; K52-D124 IonicContact NZ-OD1 3.14Å; K52-D124 PolarHBondContact NZ-OD1 3.19Å; K52-D124 IonicContact NZ-OD2 2.68Å; K52-D124 PolarHBondContact NZ-OD2 2.98Å; L120-D124 PolarHBondContact O-N 2.9Å; R121-D124 WeakPolarHBondContact O-CB 3.35Å; D124-Y126 PolarHBondContact O-N 3.47Å; D124-Y126 VanDerWaalsContact O-N 3.16Å; D124-L127 PolarHBondContact O-N 3Å
125P96.2Very high95.4Very high87 Ų8764.2 Ų64.257%0.56532%0.317SS*.G310 helixtrans-68.6-10.1177.6-20.334.7000114.9E122 L123E122-P125 WeakPolarHBondContact O-CD 3.49Å; L123-P125 VanDerWaalsContact C-N 3.33Å; L123-P125 VanDerWaalsContact O-N 3.14Å
126Y96.9Very high95.4Very high76 Ų7668.1 Ų68.130%0.29833%0.332SS..G310 helixtrans-107.8-3.1-178.7-53.5-84.7000112.4R47 R49 L123 D124R47-Y126 HydrophobicContact CB-CD1 4.02Å; R47-Y126 HydrophobicContact CB-CE1 4.46Å; R47-Y126 HydrophobicContact CG-CE1 4.47Å; R47-Y126 VanDerWaalsContact NE-CE1 3.29Å; R47-Y126 WeakPolarHBondContact O-CB 3.3Å; R47-Y126 VanDerWaalsContact O-CD1 3.3Å; R47-Y126 WeakPolarHBondContact O-CD1 3.47Å; R49-Y126 PolarHBondContact N-O 2.9Å; L123-Y126 WeakPolarHBondContact O-CA 3.31Å; L123-Y126 WeakPolarHBondContact O-CB 3.43Å; L123-Y126 PolarHBondContact O-N 3.46Å; D124-Y126 PolarHBondContact O-N 3.47Å; D124-Y126 VanDerWaalsContact O-N 3.16Å
127L97.3Very high95.4Very high9 Ų970.3 Ų70.35%0.04734%0.34CS..SBendtrans-105.9125.7-178.6-62.9172.9000110.5T23 G50 K52 L120 L123 D124T23-L127 HydrophobicContact CG2-CD1 3.79Å; T23-L127 HydrophobicContact CG2-CD2 4.36Å; G50-L127 WeakPolarHBondContact O-CA 3.48Å; K52-L127 HydrophobicContact CB-CB 3.99Å; K52-L127 HydrophobicContact CB-CD1 4.19Å; K52-L127 HydrophobicContact CD-CB 3.85Å; K52-L127 VanDerWaalsContact CE-O 3.25Å; K52-L127 WeakPolarHBondContact CE-O 3.43Å; K52-L127 HydrophobicContact CG-CB 3.94Å; K52-L127 PolarHBondContact NZ-O 3.35Å; L120-L127 HydrophobicContact CD1-CD1 4.01Å; L123-L127 HydrophobicContact CB-CD1 4.17Å; L123-L127 PolarHBondContact O-N 2.86Å; D124-L127 PolarHBondContact O-N 3Å
128G96Very high95.5Very high23 Ų2365 Ų6524%0.23732%0.321CS..EExtended strand (participates in β ladder)trans-75.4137.9173.400000111G50 V51 K52G50-G128 PolarHBondContact O-N 3Å; V51-G128 CarbonylContact C-O 3.44Å; V51-G128 VanDerWaalsContact CA-O 3.25Å; V51-G128 WeakPolarHBondContact CA-O 3.48Å; V51-G128 WeakPolarHBondContact CG1-O 3.44Å; K52-G128 PolarHBondContact N-O 3.12Å
129P96.4Very high95.6Very high80 Ų8064.2 Ų64.252%0.51931%0.311SS..EExtended strand (participates in β ladder)trans-67.2145.1172.530.1-34.1000110.7M53M53-P129 HydrophobicContact SD-CB 3.94Å
130Y97.6Very high95.7Very high5 Ų563.2 Ų63.22%0.0231%0.306CS..PPolyproline II helixtrans-56.7137.6170.7178.6-90.9000110.9I37 D38 K52 M53 I54 P55 H59 Y132 M135I37-Y130 HydrophobicContact CD1-CD2 4.06Å; I37-Y130 HydrophobicContact CD1-CE2 4.12Å; I37-Y130 HydrophobicContact CG1-CD2 4.48Å; I37-Y130 HydrophobicContact CG1-CE2 4.17Å; I37-Y130 HydrophobicContact CG2-CD2 4.09Å; I37-Y130 HydrophobicContact CG2-CE2 4.18Å; D38-Y130 WeakPolarHBondContact OD2-CE2 3.47Å; D38-Y130 VanDerWaalsContact OD2-CZ 3.25Å; D38-Y130 PolarHBondContact OD2-OH 2.97Å; K52-Y130 PolarHBondContact O-N 3.46Å; M53-Y130 VanDerWaalsContact O-CB 3.29Å; M53-Y130 WeakPolarHBondContact O-CB 3.23Å; I54-Y130 HydrophobicContact CB-CD2 4.35Å; I54-Y130 HydrophobicContact CG1-CD2 4.16Å; I54-Y130 HydrophobicContact CG2-CD2 3.9Å; I54-Y130 HydrophobicContact CG2-CE2 4.27Å; P55-Y130 HydrophobicContact CG-CD1 4.38Å; P55-Y130 HydrophobicContact CG-CE1 4.12Å; H59-Y130 AromaticContact CE1-CE2 3.82Å; H59-Y130 AromaticContact ND1-CE2 3.83Å; Y130-Y132 HydrophobicContact CD1-CD1 4.28Å; Y130-Y132 AromaticContact CD1-CD2 3.96Å; Y130-Y132 HydrophobicContact CD1-CD2 3.96Å; Y130-Y132 HydrophobicContact CD1-CE1 4.32Å; Y130-Y132 HydrophobicContact CD1-CE2 4Å; Y130-Y132 HydrophobicContact CD1-CG 4.11Å; Y130-Y132 VanDerWaalsContact O-CD2 3.23Å; Y130-Y132 WeakPolarHBondContact O-CD2 3.42Å; Y130-Y132 PolarHBondContact O-N 3.19Å; Y130-M135 HydrophobicContact CE1-CB 4.06Å; Y130-M135 HydrophobicContact CE1-CG 4.16Å
131P95.7Very high95.9Very high9 Ų962 Ų626%0.05830%0.3CS..  trans-77.181.6-176.532.1-36.2000111.7I37 K40 E133 V134I37-P131 HydrophobicContact CG2-CG 4.29Å; K40-P131 HydrophobicContact CB-CB 4.13Å; K40-P131 HydrophobicContact CB-CG 3.7Å; K40-P131 HydrophobicContact CD-CB 4.32Å; K40-P131 HydrophobicContact CG-CB 4.08Å; K40-P131 HydrophobicContact CG-CG 4.13Å; P131-E133 VanDerWaalsContact CA-OE2 3.22Å; P131-E133 WeakPolarHBondContact CA-OE2 3.46Å; P131-E133 WeakPolarHBondContact CB-OE1 3.18Å; P131-E133 PolarHBondContact O-N 2.88Å; P131-V134 HydrophobicContact CB-CG2 4.05Å; P131-V134 HydrophobicContact CG-CG2 3.85Å; P131-V134 VanDerWaalsContact O-CG2 3.25Å; P131-V134 WeakPolarHBondContact O-CG2 3.47Å; P131-V134 PolarHBondContact O-N 2.79Å
132Y95.2Very high96.1Very high51 Ų5153.4 Ų53.420%0.227%0.268CS..G310 helixtrans-60.2-18.9-178.8-81.6-83.5000114.4M9 L17 M53 Y130 V134 M135M9-Y132 HydrophobicContact CE-CD2 3.61Å; M9-Y132 HydrophobicContact CE-CE2 4.12Å; M9-Y132 HydrophobicContact CE-CG 4.25Å; L17-Y132 HydrophobicContact CD1-CD2 4.37Å; L17-Y132 HydrophobicContact CD1-CE1 4.34Å; L17-Y132 HydrophobicContact CD1-CE2 3.68Å; L17-Y132 WeakPolarHBondContact CD2-OH 3.49Å; M53-Y132 HydrophobicContact CB-CE2 4.2Å; M53-Y132 WeakPolarHBondContact O-CE2 3.37Å; M53-Y132 PolarHBondContact O-OH 3.1Å; Y130-Y132 HydrophobicContact CD1-CD1 4.28Å; Y130-Y132 AromaticContact CD1-CD2 3.96Å; Y130-Y132 HydrophobicContact CD1-CD2 3.96Å; Y130-Y132 HydrophobicContact CD1-CE1 4.32Å; Y130-Y132 HydrophobicContact CD1-CE2 4Å; Y130-Y132 HydrophobicContact CD1-CG 4.11Å; Y130-Y132 VanDerWaalsContact O-CD2 3.23Å; Y130-Y132 WeakPolarHBondContact O-CD2 3.42Å; Y130-Y132 PolarHBondContact O-N 3.19Å; Y132-V134 PolarHBondContact O-N 3.28Å; Y132-M135 HydrophobicContact CD1-CB 4.45Å; Y132-M135 HydrophobicContact CD1-SD 3.69Å; Y132-M135 HydrophobicContact CE1-SD 3.78Å; Y132-M135 WeakPolarHBondContact O-CB 2.84Å; Y132-M135 PolarHBondContact O-N 3.36Å
133E93.8Very high96.2Very high94 Ų9450.1 Ų50.144%0.43926%0.256SS..G310 helixtrans-64.6-26.5174.773.8-80.1-17000113.2K40 P131K40-E133 IonicContact NZ-OE1 3.74Å; K40-E133 PolarHBondContact NZ-OE1 2.89Å; P131-E133 VanDerWaalsContact CA-OE2 3.22Å; P131-E133 WeakPolarHBondContact CA-OE2 3.46Å; P131-E133 WeakPolarHBondContact CB-OE1 3.18Å; P131-E133 PolarHBondContact O-N 2.88Å
134V93.7Very high96.3Very high21 Ų2151.7 Ų51.713%0.12726%0.262CS..G310 helixtrans-101.3-1.4176.5-58.50000113.6C39 K40 P131 Y132 R136 K137 W138C39-V134 HydrophobicContact CB-CB 4.22Å; C39-V134 HydrophobicContact CB-CG2 4.36Å; K40-V134 HydrophobicContact CB-CG2 4.19Å; K40-V134 HydrophobicContact CD-CG1 4.36Å; P131-V134 HydrophobicContact CB-CG2 4.05Å; P131-V134 HydrophobicContact CG-CG2 3.85Å; P131-V134 VanDerWaalsContact O-CG2 3.25Å; P131-V134 WeakPolarHBondContact O-CG2 3.47Å; P131-V134 PolarHBondContact O-N 2.79Å; Y132-V134 PolarHBondContact O-N 3.28Å; V134-R136 VanDerWaalsContact C-N 3.34Å; V134-R136 PolarHBondContact O-N 3.36Å; V134-K137 WeakPolarHBondContact O-CB 3.42Å; V134-K137 PolarHBondContact O-N 2.8Å; V134-K137 VanDerWaalsContact O-N 3.14Å; V134-W138 PolarHBondContact O-N 3.41Å
135M95.1Very high96.4Very high60 Ų6050 Ų5030%0.29625%0.253SS..Hα-helixtrans-57.8-44.8-175.9-168.8-168.388.100112.4P55 Y130 Y132 K137 W138 V139P55-M135 HydrophobicContact CG-CG 4.49Å; P55-M135 HydrophobicContact CG-SD 4.29Å; Y130-M135 HydrophobicContact CE1-CB 4.06Å; Y130-M135 HydrophobicContact CE1-CG 4.16Å; Y132-M135 HydrophobicContact CD1-CB 4.45Å; Y132-M135 HydrophobicContact CD1-SD 3.69Å; Y132-M135 HydrophobicContact CE1-SD 3.78Å; Y132-M135 WeakPolarHBondContact O-CB 2.84Å; Y132-M135 PolarHBondContact O-N 3.36Å; M135-K137 VanDerWaalsContact C-N 3.3Å; M135-K137 PolarHBondContact O-N 2.96Å; M135-W138 PolarHBondContact O-N 2.82Å; M135-V139 WeakPolarHBondContact O-CG2 3.13Å; M135-V139 PolarHBondContact O-N 3.39Å
136R95.3Very high96.4Very high214 Ų21447.9 Ų47.981%0.80824%0.241SC*.Hα-helixtrans-62.8-39.8-179.8-69-175.5-179.9178.60.8111.8V134 S140V134-R136 VanDerWaalsContact C-N 3.34Å; V134-R136 PolarHBondContact O-N 3.36Å; R136-S140 WeakPolarHBondContact O-CB 3.41Å; R136-S140 PolarHBondContact O-N 2.87Å; R136-S140 PolarHBondContact O-OG 3.5Å
137K95.6Very high96.4Very high62 Ų6249.7 Ų49.727%0.2725%0.252SS..Hα-helixtrans-61.6-51.3174.9169178.4169.8164.70109.9C39 V134 M135 V139 S140 L141 E311C39-K137 HydrophobicContact CB-CD 4.09Å; C39-K137 VanDerWaalsContact SG-CE 3.6Å; V134-K137 WeakPolarHBondContact O-CB 3.42Å; V134-K137 PolarHBondContact O-N 2.8Å; V134-K137 VanDerWaalsContact O-N 3.14Å; M135-K137 VanDerWaalsContact C-N 3.3Å; M135-K137 PolarHBondContact O-N 2.96Å; K137-V139 PolarHBondContact O-N 3.2Å; K137-S140 PolarHBondContact O-N 3.47Å; K137-S140 VanDerWaalsContact O-N 3.13Å; K137-S140 PolarHBondContact O-OG 2.97Å; K137-L141 HydrophobicContact CG-CD1 4.1Å; K137-L141 WeakPolarHBondContact O-CG 3.3Å; K137-L141 PolarHBondContact O-N 2.85Å; K137-L141 VanDerWaalsContact O-N 3.09Å; K137-E311 VanDerWaalsContact CD-CD 3.45Å; K137-E311 HydrophobicContact CD-CG 4.23Å; K137-E311 VanDerWaalsContact CD-OE2 3.25Å; K137-E311 WeakPolarHBondContact CD-OE2 3.33Å; K137-E311 WeakPolarHBondContact CE-OE2 3.21Å; K137-E311 HydrophobicContact CG-CG 4.27Å; K137-E311 IonicContact NZ-OE2 3.28Å; K137-E311 PolarHBondContact NZ-OE2 3.3Å
138W97.6Very high96.4Very high6 Ų655.2 Ų55.22%0.02328%0.277CS..Hα-helixtrans-55.3-50178.5176.3-114000112.6D38 L58 H59 F60 F82 V134 M135 S140 L141 T142 V263D38-W138 HydrophobicContact CB-CB 4.07Å; D38-W138 HydrophobicContact CB-CD2 3.47Å; D38-W138 VanDerWaalsContact CB-CD2 3.47Å; D38-W138 HydrophobicContact CB-CE3 3.57Å; D38-W138 HydrophobicContact CB-CG 3.69Å; D38-W138 HydrophobicContact CB-CZ3 4.21Å; D38-W138 VanDerWaalsContact CG-CE2 3.45Å; D38-W138 VanDerWaalsContact OD1-CE2 3.26Å; D38-W138 WeakPolarHBondContact OD1-CZ2 3.44Å; L58-W138 PolarHBondContact O-NE1 3.13Å; H59-W138 AromaticContact ND1-NE1 3.9Å; F60-W138 HydrophobicContact CB-CH2 3.48Å; F60-W138 VanDerWaalsContact CB-CH2 3.48Å; F60-W138 HydrophobicContact CB-CZ2 4.16Å; F60-W138 HydrophobicContact CB-CZ3 4.16Å; F82-W138 HydrophobicContact CE1-CH2 4.29Å; V134-W138 PolarHBondContact O-N 3.41Å; M135-W138 PolarHBondContact O-N 2.82Å; W138-S140 VanDerWaalsContact C-N 3.3Å; W138-S140 PolarHBondContact O-N 2.82Å; W138-L141 PolarHBondContact O-N 2.94Å; W138-T142 HydrophobicContact CD2-CG2 4.04Å; W138-T142 HydrophobicContact CE3-CG2 4.01Å; W138-T142 HydrophobicContact CH2-CG2 3.6Å; W138-T142 HydrophobicContact CZ2-CG2 3.63Å; W138-T142 HydrophobicContact CZ3-CG2 3.81Å; W138-T142 PolarHBondContact O-N 2.96Å; W138-T142 PolarHBondContact O-OG1 3.3Å; W138-V263 HydrophobicContact CH2-CG1 3.96Å; W138-V263 HydrophobicContact CH2-CG2 4.48Å; W138-V263 HydrophobicContact CZ3-CG1 3.86Å; W138-V263 HydrophobicContact CZ3-CG2 4.13Å
139V97.1Very high96.4Very high77 Ų7754.3 Ų54.347%0.46727%0.267SS..Hα-helixtrans-58.3-43177.4172.70000111M135 K137 L141 T142 D143M135-V139 WeakPolarHBondContact O-CG2 3.13Å; M135-V139 PolarHBondContact O-N 3.39Å; K137-V139 PolarHBondContact O-N 3.2Å; V139-L141 PolarHBondContact O-N 2.99Å; V139-T142 PolarHBondContact O-N 3.01Å; V139-D143 WeakPolarHBondContact O-CB 3.14Å; V139-D143 PolarHBondContact O-N 3.43Å
140S97.2Very high96.5Very high21 Ų2150.7 Ų50.715%0.14724%0.244CC..Hα-helixtrans-67.4-21.1178.871.90000114.8R136 K137 W138 Q259R136-S140 WeakPolarHBondContact O-CB 3.41Å; R136-S140 PolarHBondContact O-N 2.87Å; R136-S140 PolarHBondContact O-OG 3.5Å; K137-S140 PolarHBondContact O-N 3.47Å; K137-S140 VanDerWaalsContact O-N 3.13Å; K137-S140 PolarHBondContact O-OG 2.97Å; W138-S140 VanDerWaalsContact C-N 3.3Å; W138-S140 PolarHBondContact O-N 2.82Å; S140-Q259 PolarHBondContact O-NE2 3.47Å
141L97.9Very high96.4Very high1 Ų154.4 Ų54.41%0.00527%0.267CS..Hα-helixtrans-90.5-10.8177-68.2177.9000113.1K137 W138 V139 Q259 F262 H307 Q308 E311K137-L141 HydrophobicContact CG-CD1 4.1Å; K137-L141 WeakPolarHBondContact O-CG 3.3Å; K137-L141 PolarHBondContact O-N 2.85Å; K137-L141 VanDerWaalsContact O-N 3.09Å; W138-L141 PolarHBondContact O-N 2.94Å; V139-L141 PolarHBondContact O-N 2.99Å; L141-Q259 WeakPolarHBondContact O-CB 3.49Å; L141-Q259 WeakPolarHBondContact O-CG 3.23Å; L141-Q259 PolarHBondContact O-NE2 3.13Å; L141-F262 HydrophobicContact CD2-CD1 4.24Å; L141-F262 HydrophobicContact CD2-CE1 3.8Å; L141-H307 HydrophobicContact CD2-CB 4.46Å; L141-Q308 HydrophobicContact CD2-CG 4.17Å; L141-E311 HydrophobicContact CD1-CG 4.25Å; L141-E311 HydrophobicContact CD2-CG 4.16Å
142T98Very high96.5Very high12 Ų1257.7 Ų57.77%0.07428%0.284CS..Hα-helixtrans-134.79-170.157.50000114W138 V139 Q144 I145 V263W138-T142 HydrophobicContact CD2-CG2 4.04Å; W138-T142 HydrophobicContact CE3-CG2 4.01Å; W138-T142 HydrophobicContact CH2-CG2 3.6Å; W138-T142 HydrophobicContact CZ2-CG2 3.63Å; W138-T142 HydrophobicContact CZ3-CG2 3.81Å; W138-T142 PolarHBondContact O-N 2.96Å; W138-T142 PolarHBondContact O-OG1 3.3Å; V139-T142 PolarHBondContact O-N 3.01Å; T142-Q144 PolarHBondContact O-N 3.34Å; T142-I145 HydrophobicContact CG2-CD1 3.84Å; T142-I145 PolarHBondContact O-N 2.97Å; T142-V263 HydrophobicContact CG2-CG2 4.04Å
143D96.4Very high96.6Very high76 Ų7655.5 Ų55.541%0.40628%0.276SS..THydrogen-bonded Turntrans-64.1-22.2-174.872.1-44.9000114.1V139 Q259V139-D143 WeakPolarHBondContact O-CB 3.14Å; V139-D143 PolarHBondContact O-N 3.43Å; D143-Q259 PolarHBondContact OD1-NE2 3.42Å; D143-Q259 PolarHBondContact OD1-OE1 3.13Å
144Q97.9Very high96.8Very high51 Ų5152.1 Ų52.124%0.23826%0.26CS..THydrogen-bonded Turntrans-95.1-3.7175.6-53.1-60.6-52.100112.8T142 S146 L255 G256 Q259 V304T142-Q144 PolarHBondContact O-N 3.34Å; Q144-S146 PolarHBondContact O-N 3.2Å; Q144-L255 HydrophobicContact CB-CB 4.15Å; Q144-L255 HydrophobicContact CG-CB 4Å; Q144-G256 VanDerWaalsContact O-CA 3.26Å; Q144-G256 WeakPolarHBondContact O-CA 3.36Å; Q144-Q259 VanDerWaalsContact CB-OE1 3.22Å; Q144-V304 HydrophobicContact CG-CG2 4Å
145I98.1Very high96.9Very high14 Ų1451.3 Ų51.37%0.07226%0.255CS..  trans-91.2103.7-179-46.6179.6000109.7L58 T142 A150 Q259 F260L58-I145 HydrophobicContact CD2-CB 3.65Å; L58-I145 HydrophobicContact CD2-CD1 4.14Å; L58-I145 HydrophobicContact CD2-CG1 4.49Å; L58-I145 HydrophobicContact CD2-CG2 3.48Å; L58-I145 VanDerWaalsContact CD2-CG2 3.48Å; T142-I145 HydrophobicContact CG2-CD1 3.84Å; T142-I145 PolarHBondContact O-N 2.97Å; I145-A150 HydrophobicContact CG2-CB 3.86Å; I145-Q259 HydrophobicContact CD1-CB 3.85Å; I145-Q259 HydrophobicContact CG1-CB 3.77Å; I145-F260 HydrophobicContact CD1-CB 4.12Å; I145-F260 HydrophobicContact CG2-CD2 4.48Å
146S96.4Very high97Very high43 Ų4354.1 Ų54.130%0.30127%0.271SS..  trans-74.6160170.377.90000111.5Q144 E148 L149 A150Q144-S146 PolarHBondContact O-N 3.2Å; S146-E148 VanDerWaalsContact C-N 3.29Å; S146-E148 PolarHBondContact O-N 3.18Å; S146-L149 PolarHBondContact O-N 2.97Å; S146-L149 VanDerWaalsContact OG-CB 3.29Å; S146-L149 WeakPolarHBondContact OG-CB 3.45Å; S146-L149 PolarHBondContact OG-N 2.9Å; S146-L149 VanDerWaalsContact OG-N 3.08Å; S146-A150 PolarHBondContact O-N 3.28Å
147Q95.8Very high97Very high114 Ų11446.7 Ų46.753%0.53325%0.252SS..Hα-helixtrans-56.4-44.9174.2174.1175.28.300111.8T84 L149 A150 V151T84-Q147 HydrophobicContact CG2-CB 4.09Å; T84-Q147 HydrophobicContact CG2-CG 3.88Å; T84-Q147 WeakPolarHBondContact OG1-CG 3Å; Q147-L149 VanDerWaalsContact C-N 3.34Å; Q147-A150 PolarHBondContact O-N 2.89Å; Q147-V151 VanDerWaalsContact O-CG2 3.31Å; Q147-V151 WeakPolarHBondContact O-CG2 3.3Å; Q147-V151 PolarHBondContact O-N 3.12Å
148E96.6Very high96.9Very high125 Ų12544.4 Ų44.458%0.58425%0.246SC*.Hα-helixtrans-62.3-43.5178.9-178.4178.4-178.300111S146 V151 N152S146-E148 VanDerWaalsContact C-N 3.29Å; S146-E148 PolarHBondContact O-N 3.18Å; E148-V151 PolarHBondContact O-N 2.92Å; E148-N152 WeakPolarHBondContact O-CB 3.13Å; E148-N152 PolarHBondContact O-N 2.91Å; E148-N152 PolarHBondContact O-ND2 3.21Å
149L97.6Very high96.8Very high5 Ų546.2 Ų46.23%0.02625%0.253CS..Hα-helixtrans-64.3-46.4178.7-174.162.3000111.7S146 Q147 V151 N152 L153 Y247 N253S146-L149 PolarHBondContact O-N 2.97Å; S146-L149 VanDerWaalsContact OG-CB 3.29Å; S146-L149 WeakPolarHBondContact OG-CB 3.45Å; S146-L149 PolarHBondContact OG-N 2.9Å; S146-L149 VanDerWaalsContact OG-N 3.08Å; Q147-L149 VanDerWaalsContact C-N 3.34Å; L149-V151 VanDerWaalsContact C-N 3.31Å; L149-V151 PolarHBondContact O-N 3.44Å; L149-N152 PolarHBondContact O-N 3.23Å; L149-N152 VanDerWaalsContact O-N 3.13Å; L149-L153 HydrophobicContact CD1-CD1 3.8Å; L149-L153 HydrophobicContact CD1-CD2 4.44Å; L149-L153 HydrophobicContact CD1-CG 3.95Å; L149-L153 HydrophobicContact CD2-CD1 4.43Å; L149-L153 HydrophobicContact CG-CD1 3.73Å; L149-L153 HydrophobicContact CG-CG 4.25Å; L149-L153 WeakPolarHBondContact O-CB 3.32Å; L149-L153 VanDerWaalsContact O-CG 3.29Å; L149-L153 WeakPolarHBondContact O-CG 3.35Å; L149-L153 PolarHBondContact O-N 3.16Å; L149-Y247 HydrophobicContact CD1-CE1 3.84Å; L149-N253 HydrophobicContact CD1-CB 4.34Å; L149-N253 HydrophobicContact CD2-CB 4.11Å; L149-N253 WeakPolarHBondContact CD2-O 3.42Å
150A97.6Very high96.8Very high3 Ų342.7 Ų42.73%0.02523%0.231CC..Hα-helixtrans-58.5-43.2175.700000111.9L58 I145 S146 Q147 N152 Q154 F260L58-A150 HydrophobicContact CD1-CB 3.63Å; L58-A150 HydrophobicContact CD2-CB 4.39Å; I145-A150 HydrophobicContact CG2-CB 3.86Å; S146-A150 PolarHBondContact O-N 3.28Å; Q147-A150 PolarHBondContact O-N 2.89Å; A150-N152 VanDerWaalsContact C-N 3.34Å; A150-N152 PolarHBondContact O-N 3.19Å; A150-Q154 VanDerWaalsContact O-CB 3.24Å; A150-Q154 WeakPolarHBondContact O-CB 3.39Å; A150-Q154 PolarHBondContact O-N 3.39Å; A150-F260 HydrophobicContact CB-CE2 4.46Å
151V96.7Very high96.7Very high83 Ų8343.3 Ų43.350%0.50324%0.235SC..Hα-helixtrans-63.4-40.1176168.90000111.1Q147 E148 L149 R210Q147-V151 VanDerWaalsContact O-CG2 3.31Å; Q147-V151 WeakPolarHBondContact O-CG2 3.3Å; Q147-V151 PolarHBondContact O-N 3.12Å; E148-V151 PolarHBondContact O-N 2.92Å; L149-V151 VanDerWaalsContact C-N 3.31Å; L149-V151 PolarHBondContact O-N 3.44Å; V151-R210 PolarHBondContact O-NH2 3.43Å
152N96.8Very high96.5Very high79 Ų7944.9 Ų44.942%0.42225%0.248SC..Hα-helixtrans-73.3-35.6-177.8-72.1-18.3000113.1E148 L149 A150 R210E148-N152 WeakPolarHBondContact O-CB 3.13Å; E148-N152 PolarHBondContact O-N 2.91Å; E148-N152 PolarHBondContact O-ND2 3.21Å; L149-N152 PolarHBondContact O-N 3.23Å; L149-N152 VanDerWaalsContact O-N 3.13Å; A150-N152 VanDerWaalsContact C-N 3.34Å; A150-N152 PolarHBondContact O-N 3.19Å; N152-R210 VanDerWaalsContact O-CB 3.28Å; N152-R210 WeakPolarHBondContact O-CB 3.23Å; N152-R210 PolarHBondContact O-NE 2.85Å; N152-R210 VanDerWaalsContact O-NE 3.15Å; N152-R210 PolarHBondContact O-NH2 2.63Å
153L98Very high96.2Very high4 Ų449.3 Ų49.32%0.02127%0.266CS..Hα-helixtrans-82.5-31.2-178.6-64.6176.1000113.4L149 R210 F211 E257 F260L149-L153 HydrophobicContact CD1-CD1 3.8Å; L149-L153 HydrophobicContact CD1-CD2 4.44Å; L149-L153 HydrophobicContact CD1-CG 3.95Å; L149-L153 HydrophobicContact CD2-CD1 4.43Å; L149-L153 HydrophobicContact CG-CD1 3.73Å; L149-L153 HydrophobicContact CG-CG 4.25Å; L149-L153 WeakPolarHBondContact O-CB 3.32Å; L149-L153 VanDerWaalsContact O-CG 3.29Å; L149-L153 WeakPolarHBondContact O-CG 3.35Å; L149-L153 PolarHBondContact O-N 3.16Å; L153-R210 WeakPolarHBondContact CD2-O 3.47Å; L153-R210 PolarHBondContact O-N 3.43Å; L153-F211 HydrophobicContact CD2-CD1 4.25Å; L153-E257 HydrophobicContact CD1-CB 3.94Å; L153-E257 HydrophobicContact CD1-CG 3.9Å; L153-E257 HydrophobicContact CD2-CB 4.48Å; L153-E257 HydrophobicContact CD2-CG 3.84Å; L153-F260 HydrophobicContact CB-CD1 3.93Å; L153-F260 HydrophobicContact CB-CD2 4.12Å; L153-F260 HydrophobicContact CB-CE1 3.81Å; L153-F260 HydrophobicContact CB-CE2 4.02Å; L153-F260 HydrophobicContact CB-CG 4.07Å; L153-F260 HydrophobicContact CB-CZ 3.87Å; L153-F260 HydrophobicContact CD1-CB 3.67Å; L153-F260 HydrophobicContact CD1-CD1 4.09Å; L153-F260 HydrophobicContact CD1-CD2 4.09Å; L153-F260 HydrophobicContact CD1-CG 3.69Å
154Q96.7Very high95.9Very high23 Ų2348.4 Ų48.411%0.10727%0.266CS..SBendtrans-65.7150178.3-174.7168.1-92.200111.5A150 G158 V160 R210 F260A150-Q154 VanDerWaalsContact O-CB 3.24Å; A150-Q154 WeakPolarHBondContact O-CB 3.39Å; A150-Q154 PolarHBondContact O-N 3.39Å; Q154-G158 PolarHBondContact NE2-O 2.75Å; Q154-V160 HydrophobicContact CG-CG2 4.12Å; Q154-R210 VanDerWaalsContact O-CZ 3.26Å; Q154-R210 PolarHBondContact O-NE 3.06Å; Q154-R210 PolarHBondContact O-NH2 3.46Å; Q154-F260 HydrophobicContact CB-CZ 4.1Å
155P97.2Very high95.6Very high5 Ų548.4 Ų48.43%0.03227%0.268CS..  trans-59.5154.9175.5-26.540.1000112.3S157 G158 R159 G206 T207 E208 L209P155-S157 PolarHBondContact O-N 2.75Å; P155-G158 WeakPolarHBondContact O-CA 3.4Å; P155-G158 PolarHBondContact O-N 3.39Å; P155-R159 VanDerWaalsContact CG-O 3.24Å; P155-R159 WeakPolarHBondContact CG-O 3.27Å; P155-G206 WeakPolarHBondContact CB-O 3.47Å; P155-T207 WeakPolarHBondContact CG-O 3.23Å; P155-E208 WeakPolarHBondContact CA-O 3.24Å; P155-E208 VanDerWaalsContact CB-O 3.3Å; P155-E208 WeakPolarHBondContact CB-O 3.22Å; P155-E208 VanDerWaalsContact CG-O 3.32Å; P155-E208 WeakPolarHBondContact CG-O 3.39Å; P155-L209 HydrophobicContact CG-CD2 3.89Å
156L96.6Very high95.3Very high119 Ų11951.8 Ų51.862%0.62329%0.285SS*.THydrogen-bonded Turntrans-64.8-27.2179.1-65.1175.2000112.8G158 G206L156-G158 PolarHBondContact O-N 2.86Å; L156-G206 PolarHBondContact N-O 3.32Å
157S94.4Very high95.2Very high58 Ų5850.9 Ų50.941%0.40628%0.277SS..THydrogen-bonded Turntrans-62.1-19.9169.366.80000112.6P155 R159 G206P155-S157 PolarHBondContact O-N 2.75Å; S157-R159 PolarHBondContact O-N 2.76Å; S157-R159 PolarHBondContact OG-N 2.89Å; S157-R159 VanDerWaalsContact OG-N 3.11Å; S157-G206 WeakPolarHBondContact CB-O 3.04Å; S157-G206 PolarHBondContact N-O 3.22Å; S157-G206 PolarHBondContact OG-O 2.88Å
158G94.3Very high95Very high14 Ų1447.8 Ų47.814%0.14427%0.267CS..SBendtrans73.214.2-171.300000113.5L81 Q154 P155 L156L81-G158 WeakPolarHBondContact CB-O 3.3Å; Q154-G158 PolarHBondContact NE2-O 2.75Å; P155-G158 WeakPolarHBondContact O-CA 3.4Å; P155-G158 PolarHBondContact O-N 3.39Å; L156-G158 PolarHBondContact O-N 2.86Å
159R95.2Very high94.7Very high44 Ų4447 Ų4717%0.16626%0.263CS..  trans-117.7124.5-178.9-63.5-61.6-176.9-81.7-10.8111.6G80 D101 L102 P155 S157G80-R159 CarbonylContact O-C 3.48Å; G80-R159 WeakPolarHBondContact O-CA 3.26Å; D101-R159 IonicContact OD1-CZ 2.79Å; D101-R159 IonicContact OD1-NE 2.66Å; D101-R159 PolarHBondContact OD1-NE 2.85Å; D101-R159 IonicContact OD1-NH2 3.96Å; D101-R159 PolarHBondContact OD1-NH2 3.07Å; D101-R159 IonicContact OD2-CZ 3.57Å; D101-R159 IonicContact OD2-NE 3.69Å; D101-R159 PolarHBondContact OD2-NE 3.25Å; D101-R159 IonicContact OD2-NH2 3.44Å; D101-R159 PolarHBondContact OD2-NH2 2.82Å; L102-R159 PolarHBondContact O-NH2 2.8Å; P155-R159 VanDerWaalsContact CG-O 3.24Å; P155-R159 WeakPolarHBondContact CG-O 3.27Å; S157-R159 PolarHBondContact O-N 2.76Å; S157-R159 PolarHBondContact OG-N 2.89Å; S157-R159 VanDerWaalsContact OG-N 3.11Å
160V97Very high94.2Very high2 Ų252 Ų521%0.01229%0.289CS..EExtended strand (participates in β ladder)trans-98.3109170.31760000107.2F60 S79 G80 F82 Q154 L209 C264 V270F60-V160 HydrophobicContact CE2-CB 4.15Å; F60-V160 HydrophobicContact CE2-CG1 4.42Å; F60-V160 HydrophobicContact CE2-CG2 4.4Å; F60-V160 HydrophobicContact CZ-CB 4.32Å; F60-V160 HydrophobicContact CZ-CG1 4.25Å; S79-V160 CarbonylContact C-O 3.5Å; G80-V160 PolarHBondContact N-O 3.14Å; G80-V160 PolarHBondContact O-N 3.34Å; F82-V160 HydrophobicContact CD2-CG2 4.24Å; F82-V160 HydrophobicContact CE2-CG2 4.19Å; Q154-V160 HydrophobicContact CG-CG2 4.12Å; V160-L209 HydrophobicContact CG1-CD2 4.44Å; V160-L209 HydrophobicContact CG2-CD2 4.15Å; V160-C264 HydrophobicContact CG1-CB 4.33Å; V160-V270 HydrophobicContact CG1-CG2 3.56Å
161C95.1Very high93.5Very high34 Ų3455.8 Ų55.823%0.2331%0.306CS..EExtended strand (participates in β ladder)trans-112.5144.2-174.9-61.20000111F163 V270C161-F163 HydrophobicContact CB-CD1 4.1Å; C161-F163 HydrophobicContact CB-CE1 3.99Å; C161-F163 HydrophobicContact CB-CZ 4.43Å; C161-F163 WeakPolarHBondContact CB-O 3.41Å; C161-F163 PolarHBondContact O-N 3.19Å; C161-F163 VanDerWaalsContact O-N 3.09Å; C161-V270 WeakPolarHBondContact O-CG2 3.4Å
162A93.9Very high92.7Very high34 Ų3453.9 Ų53.928%0.28129%0.293SS..SBendtrans-65.2-9175.200000113.7K78 N269K78-A162 HydrophobicContact CB-CB 4.19Å; K78-A162 WeakPolarHBondContact O-CB 3.23Å; K78-A162 PolarHBondContact O-N 3.21Å; A162-N269 HydrophobicContact CB-CB 4.33Å
163F91.2Very high92Very high105 Ų10559 Ų5946%0.46131%0.306SS..SBendtrans-127.6148.5176.865.1-80.9000110.2P77 C161P77-F163 HydrophobicContact CB-CD1 3.53Å; P77-F163 HydrophobicContact CB-CE1 3.82Å; P77-F163 HydrophobicContact CG-CD1 3.62Å; P77-F163 HydrophobicContact CG-CE1 3.45Å; P77-F163 VanDerWaalsContact CG-CE1 3.45Å; P77-F163 HydrophobicContact CG-CZ 4.43Å; C161-F163 HydrophobicContact CB-CD1 4.1Å; C161-F163 HydrophobicContact CB-CE1 3.99Å; C161-F163 HydrophobicContact CB-CZ 4.43Å; C161-F163 WeakPolarHBondContact CB-O 3.41Å; C161-F163 PolarHBondContact O-N 3.19Å; C161-F163 VanDerWaalsContact O-N 3.09Å
164S90.3Very high91.2Very high58 Ų5864.8 Ų64.841%0.40633%0.333SS..  trans-78.4131.1170.6-51.20000109.8I166S164-I166 PolarHBondContact O-N 2.93Å
165D91.6Very high90.4Very high51 Ų5169.7 Ų69.727%0.27337%0.365SS..  trans-7794.1171.8-175-8000109Q203 R204 T207D165-Q203 CarbonylContact O-C 3.57Å; D165-Q203 WeakPolarHBondContact O-CA 3.27Å; D165-R204 HydrophobicContact CB-CB 4.25Å; D165-R204 VanDerWaalsContact CG-NE 3.34Å; D165-R204 PolarHBondContact O-N 3.13Å; D165-R204 IonicContact OD1-CZ 2.84Å; D165-R204 IonicContact OD1-NE 3.3Å; D165-R204 PolarHBondContact OD1-NE 2.9Å; D165-R204 IonicContact OD1-NH2 2.82Å; D165-R204 PolarHBondContact OD1-NH2 2.81Å; D165-R204 VanDerWaalsContact OD1-NH2 3.14Å; D165-R204 WeakPolarHBondContact OD2-CD 3.3Å; D165-R204 IonicContact OD2-CZ 3.68Å; D165-R204 IonicContact OD2-NE 3.2Å; D165-R204 PolarHBondContact OD2-NE 3.36Å; D165-R204 IonicContact OD2-NH2 3.31Å; D165-T207 HydrophobicContact CB-CG2 4.1Å
166I93.1Very high89.7Confident84 Ų8477.8 Ų77.843%0.43140%0.4SS..EExtended strand (participates in β ladder)trans-97.1126.7-174.6-60.4-55.3000110.5S164 M201 Q203S164-I166 PolarHBondContact O-N 2.93Å; I166-M201 HydrophobicContact CG2-CB 3.47Å; I166-M201 VanDerWaalsContact CG2-CB 3.47Å; I166-M201 HydrophobicContact CG2-CG 4.02Å; I166-M201 HydrophobicContact CG2-SD 4.28Å; I166-Q203 HydrophobicContact CD1-CB 4.11Å
167I93.5Very high88.8Confident24 Ų2474.8 Ų74.812%0.12338%0.384CS..EExtended strand (participates in β ladder)trans-120149.3176.959.7171.8000111.3E169 M201 K202 R204I167-E169 PolarHBondContact O-N 2.9Å; I167-M201 WeakPolarHBondContact O-CA 3.44Å; I167-K202 HydrophobicContact CG1-CG 4.05Å; I167-K202 WeakPolarHBondContact CG1-O 3.37Å; I167-K202 PolarHBondContact N-O 3.35Å; I167-K202 PolarHBondContact O-N 3.4Å; I167-R204 HydrophobicContact CD1-CB 4.29Å; I167-R204 HydrophobicContact CD1-CG 4.43Å; I167-R204 HydrophobicContact CG1-CB 4.48Å; I167-R204 HydrophobicContact CG2-CB 4.35Å
168P91.6Very high87.9Confident50 Ų5079.7 Ų79.733%0.32539%0.394SS..EExtended strand (participates in β ladder)trans-66.9135.3173.128.3-34.1000110.3L170 M201P168-L170 PolarHBondContact O-N 3.41Å; P168-M201 VanDerWaalsContact CA-SD 3.58Å; P168-M201 HydrophobicContact CB-SD 3.94Å
169E90.5Very high87.1Confident109 Ų10983 Ų8351%0.50942%0.42SS..SBendtrans-59.1-41.8174.2-73.1-175.3-176.400110.8I167 K200 K202I167-E169 PolarHBondContact O-N 2.9Å; E169-K200 HydrophobicContact CB-CB 4.21Å; E169-K200 HydrophobicContact CG-CB 4.04Å; E169-K200 PolarHBondContact N-O 3.12Å; E169-K200 WeakPolarHBondContact OE2-CB 3.34Å; E169-K200 WeakPolarHBondContact OE2-CD 3.49Å; E169-K202 HydrophobicContact CG-CB 3.96Å; E169-K202 HydrophobicContact CG-CD 4.19Å; E169-K202 HydrophobicContact CG-CG 3.91Å
170L86.6Confident86.1Confident108 Ų10889.5 Ų89.557%0.56545%0.452SS*.SBendtrans-103.3111.2174.4-174.765.1000109.9P168 L172 Q181P168-L170 PolarHBondContact O-N 3.41Å; L170-L172 HydrophobicContact CD2-CD2 3.85Å; L170-L172 HydrophobicContact CD2-CG 4.44Å; L170-L172 HydrophobicContact CG-CD2 3.88Å; L170-L172 HydrophobicContact CG-CG 4.28Å; L170-L172 PolarHBondContact O-N 3.18Å; L170-Q181 VanDerWaalsContact CD2-NE2 3.32Å
171Q83.7Confident85Confident83 Ų8393.3 Ų93.339%0.38847%0.47SS..  trans-81.8105.9-179.5-63.7-135.73.400111.7R173Q171-R173 HydrophobicContact CB-CG 4.4Å; Q171-R173 PolarHBondContact O-N 2.91Å; Q171-R173 VanDerWaalsContact OE1-CZ 3.23Å
172L80.6Confident83.8Confident44 Ų4496.5 Ų96.523%0.2349%0.49CS..  trans-100.467.7178.7-55.7172000110.6L170 D177 R178 Q181L170-L172 HydrophobicContact CD2-CD2 3.85Å; L170-L172 HydrophobicContact CD2-CG 4.44Å; L170-L172 HydrophobicContact CG-CD2 3.88Å; L170-L172 HydrophobicContact CG-CG 4.28Å; L170-L172 PolarHBondContact O-N 3.18Å; L172-D177 HydrophobicContact CB-CB 4.2Å; L172-D177 HydrophobicContact CD2-CB 3.69Å; L172-R178 HydrophobicContact CB-CG 3.98Å; L172-R178 HydrophobicContact CD1-CG 4.47Å; L172-R178 PolarHBondContact O-NE 3.21Å; L172-R178 PolarHBondContact O-NH2 3.2Å; L172-Q181 HydrophobicContact CD1-CG 3.69Å; L172-Q181 HydrophobicContact CD2-CG 4.4Å
173R80.3Confident82.7Confident186 Ų186104.2 Ų104.270%0.70251%0.512SS*.  trans-72.8-29.4-173.4-66.2-172.7-179.1-169.40.9112.5Q171 D177Q171-R173 HydrophobicContact CB-CG 4.4Å; Q171-R173 PolarHBondContact O-N 2.91Å; Q171-R173 VanDerWaalsContact OE1-CZ 3.23Å; R173-D177 PolarHBondContact N-OD2 3Å
174H81.7Confident81.9Confident126 Ų126103.9 Ų103.958%0.58352%0.515SS*.SBendtrans-109.6151.6-176.7-57.3-68.7000112K176 D177H174-K176 PolarHBondContact O-N 3.32Å; H174-K176 VanDerWaalsContact O-N 3.15Å; H174-D177 WeakPolarHBondContact CB-OD2 3.37Å; H174-D177 IonicContact CD2-OD2 3.68Å; H174-D177 IonicContact CG-OD2 2.64Å; H174-D177 PolarHBondContact N-OD2 2.66Å; H174-D177 WeakPolarHBondContact O-CB 3.37Å; H174-D177 PolarHBondContact O-N 2.81Å; H174-D177 VanDerWaalsContact O-N 3.11Å
175T80.4Confident81.4Confident126 Ų126106.6 Ų106.677%0.77353%0.525SS*.THydrogen-bonded Turntrans-57.9-29.4178.6-43.40000112.5R178 A179T175-R178 PolarHBondContact O-N 2.94Å; T175-A179 PolarHBondContact O-N 3.16Å
176K82.1Confident80.9Confident175 Ų175108.1 Ų108.176%0.76154%0.536SS*.THydrogen-bonded Turntrans-67.4-41.5177.8-65.7-175178.9-177.50112H174 R178 A179H174-K176 PolarHBondContact O-N 3.32Å; H174-K176 VanDerWaalsContact O-N 3.15Å; K176-R178 PolarHBondContact O-N 3.29Å; K176-A179 VanDerWaalsContact O-CB 3.29Å; K176-A179 WeakPolarHBondContact O-CB 3.37Å; K176-A179 PolarHBondContact O-N 3.19Å
177D78.8Confident80.5Confident55 Ų55108.6 Ų108.629%0.29455%0.553SS.*THydrogen-bonded Turntrans-61-30.4179-42-24000111.3L172 R173 H174L172-D177 HydrophobicContact CB-CB 4.2Å; L172-D177 HydrophobicContact CD2-CB 3.69Å; R173-D177 PolarHBondContact N-OD2 3Å; H174-D177 WeakPolarHBondContact CB-OD2 3.37Å; H174-D177 IonicContact CD2-OD2 3.68Å; H174-D177 IonicContact CG-OD2 2.64Å; H174-D177 PolarHBondContact N-OD2 2.66Å; H174-D177 WeakPolarHBondContact O-CB 3.37Å; H174-D177 PolarHBondContact O-N 2.81Å; H174-D177 VanDerWaalsContact O-N 3.11Å
178R75.2Confident80.3Confident161 Ų161110.3 Ų110.361%0.60857%0.566SS**THydrogen-bonded Turntrans-81.5-16.6178.1-58.8-179.6-173-171.4-0.4113.5L172 T175 K176 E180 Q181L172-R178 HydrophobicContact CB-CG 3.98Å; L172-R178 HydrophobicContact CD1-CG 4.47Å; L172-R178 PolarHBondContact O-NE 3.21Å; L172-R178 PolarHBondContact O-NH2 3.2Å; T175-R178 PolarHBondContact O-N 2.94Å; K176-R178 PolarHBondContact O-N 3.29Å; R178-E180 VanDerWaalsContact C-N 3.27Å; R178-E180 PolarHBondContact O-N 3.28Å; R178-Q181 PolarHBondContact O-N 3.2Å
179A77.3Confident80.2Confident84 Ų84116.7 Ų116.769%0.69459%0.591SS**THydrogen-bonded Turntrans-72.2-25.4-179.600000112.2T175 K176T175-A179 PolarHBondContact O-N 3.16Å; K176-A179 VanDerWaalsContact O-CB 3.29Å; K176-A179 WeakPolarHBondContact O-CB 3.37Å; K176-A179 PolarHBondContact O-N 3.19Å
180E73.9Confident80.2Confident181 Ų181114.4 Ų114.485%0.84659%0.587SS**THydrogen-bonded Turntrans-89-5178.5-61.2-177.8176.300112.9R178R178-E180 VanDerWaalsContact C-N 3.27Å; R178-E180 PolarHBondContact O-N 3.28Å
181Q73.3Confident80.4Confident82 Ų82116.7 Ų116.738%0.38360%0.597SS.*SBendtrans-83145.5178.6-70.3-92.3-35.500111.3L170 L172 R178 R183L170-Q181 VanDerWaalsContact CD2-NE2 3.32Å; L172-Q181 HydrophobicContact CD1-CG 3.69Å; L172-Q181 HydrophobicContact CD2-CG 4.4Å; R178-Q181 PolarHBondContact O-N 3.2Å; Q181-R183 PolarHBondContact O-N 2.94Å
182P71.2Confident80.7Confident100 Ų100122 Ų12265%0.64961%0.613SS**PPolyproline II helixtrans-56.8132.5172.1-15.326.5000110.1N184P182-N184 PolarHBondContact O-N 3.24Å
183R70.9Confident81Confident197 Ų197122.3 Ų122.374%0.74361%0.614SS**PPolyproline II helixtrans-72.7124.6172-73-173.2167.9-170.9-2.9109.2Q181 D185Q181-R183 PolarHBondContact O-N 2.94Å; R183-D185 HydrophobicContact CB-CB 4.43Å; R183-D185 PolarHBondContact O-N 3.08Å; R183-D185 VanDerWaalsContact O-N 3.11Å
184N73.1Confident81.3Confident98 Ų98114.3 Ų114.352%0.52459%0.59SS.*  trans-84.744.5173.2-72.3-17.7000111.1P182 R197P182-N184 PolarHBondContact O-N 3.24Å; N184-R197 PolarHBondContact ND2-O 2.91Å; N184-R197 VanDerWaalsContact ND2-O 3.15Å
185D79.3Confident81.6Confident115 Ų115113.4 Ų113.462%0.61559%0.589SS**  trans-96.8-1.9-17956.71.8000113.3R183R183-D185 HydrophobicContact CB-CB 4.43Å; R183-D185 PolarHBondContact O-N 3.08Å; R183-D185 VanDerWaalsContact O-N 3.11Å
186T82.2Confident81.8Confident82 Ų82113.1 Ų113.150%0.50358%0.582SS.*SBendtrans-112143.2177.248.30000111.6R197T186-R197 PolarHBondContact O-NH1 3.3Å; T186-R197 VanDerWaalsContact O-NH1 3.14Å; T186-R197 PolarHBondContact OG1-NH1 3.12Å
187A85.3Confident81.9Confident95 Ų95107.9 Ų107.979%0.78556%0.558SS**  trans-61.6136.8173.100000110.6
188C87.8Confident82.2Confident60 Ų60110.2 Ų110.241%0.40557%0.569SS.*  trans-72.9138.8175.9-59.80000109.7S190 G194C188-S190 VanDerWaalsContact C-N 3.32Å; C188-G194 WeakPolarHBondContact SG-CA 3.42Å
189Q90.2Very high82.7Confident183 Ų183106.9 Ų106.986%0.85557%0.569SS**SBendtrans-82.2-16.2177.6-58.5-177.6-0.300111.8E193Q189-E193 WeakPolarHBondContact CB-OE2 3.33Å; Q189-E193 PolarHBondContact N-OE2 2.73Å
190S91.6Very high83.3Confident61 Ų61109.7 Ų109.743%0.42757%0.565SS.*SBendtrans-150.4160.317669.90000112.2C188 R192 E193 G194C188-S190 VanDerWaalsContact C-N 3.32Å; S190-R192 VanDerWaalsContact C-N 3.28Å; S190-R192 PolarHBondContact O-N 2.81Å; S190-E193 PolarHBondContact O-N 2.81Å; S190-E193 WeakPolarHBondContact OG-CB 3.36Å; S190-E193 PolarHBondContact OG-N 3.27Å; S190-E193 VanDerWaalsContact OG-N 3.16Å; S190-G194 PolarHBondContact O-N 3.15Å; S190-G194 VanDerWaalsContact O-N 3.07Å
191M89Confident84.1Confident156 Ų156106.3 Ų106.377%0.76855%0.551SS**Hα-helixtrans-59.4-38.7172.2-76.1-59.3-59.100112.4G194 L195M191-G194 PolarHBondContact O-N 2.8Å; M191-L195 WeakPolarHBondContact O-CG 3.31Å; M191-L195 PolarHBondContact O-N 2.78Å
192R90.7Very high85.1Confident194 Ų194106.1 Ų106.173%0.73255%0.549SS*.Hα-helixtrans-61.7-47.9178.9-179177.3-179.8167.62.5111.5S190 G194 L195 D196S190-R192 VanDerWaalsContact C-N 3.28Å; S190-R192 PolarHBondContact O-N 2.81Å; R192-G194 VanDerWaalsContact C-N 3.29Å; R192-G194 PolarHBondContact O-N 2.62Å; R192-L195 PolarHBondContact O-N 2.97Å; R192-D196 PolarHBondContact O-N 3.43Å
193E87.6Confident86.2Confident51 Ų51103.9 Ų103.924%0.23853%0.53CS..Hα-helixtrans-60.3-41.3175.6-177.5-172.8-172.900111.5Q189 S190 D196 R197Q189-E193 WeakPolarHBondContact CB-OE2 3.33Å; Q189-E193 PolarHBondContact N-OE2 2.73Å; S190-E193 PolarHBondContact O-N 2.81Å; S190-E193 WeakPolarHBondContact OG-CB 3.36Å; S190-E193 PolarHBondContact OG-N 3.27Å; S190-E193 VanDerWaalsContact OG-N 3.16Å; E193-D196 PolarHBondContact O-N 3.43Å; E193-R197 VanDerWaalsContact O-CG 3.28Å; E193-R197 WeakPolarHBondContact O-CG 3.38Å; E193-R197 PolarHBondContact O-N 2.85Å; E193-R197 VanDerWaalsContact O-N 3.09Å; E193-R197 IonicContact OE1-CZ 2.85Å; E193-R197 VanDerWaalsContact OE1-CZ 3.3Å; E193-R197 IonicContact OE1-NE 3.53Å; E193-R197 PolarHBondContact OE1-NE 3.18Å; E193-R197 IonicContact OE1-NH2 2.63Å; E193-R197 PolarHBondContact OE1-NH2 3.02Å
194G86.5Confident87.3Confident19 Ų1999.6 Ų99.620%0.19651%0.513CS..Hα-helixtrans-59.4-46.3175.100000112.7C188 S190 M191 R192 R197 L198C188-G194 WeakPolarHBondContact SG-CA 3.42Å; S190-G194 PolarHBondContact O-N 3.15Å; S190-G194 VanDerWaalsContact O-N 3.07Å; M191-G194 PolarHBondContact O-N 2.8Å; R192-G194 VanDerWaalsContact C-N 3.29Å; R192-G194 PolarHBondContact O-N 2.62Å; G194-R197 PolarHBondContact O-N 3.21Å; G194-L198 PolarHBondContact O-N 2.84Å
195L86.6Confident88.4Confident107 Ų107101.8 Ų101.856%0.5652%0.521SS*.Hα-helixtrans-63.6-42176.6-69.6172000112.2M191 R192 R197 L198M191-L195 WeakPolarHBondContact O-CG 3.31Å; M191-L195 PolarHBondContact O-N 2.78Å; R192-L195 PolarHBondContact O-N 2.97Å; L195-R197 PolarHBondContact O-N 2.86Å; L195-L198 HydrophobicContact CD2-CD1 4.15Å; L195-L198 PolarHBondContact O-N 3.21Å
196D85.6Confident89.2Confident119 Ų11996.8 Ų96.864%0.63650%0.496SS*.Hα-helixtrans-65.7-24178.8-71.4-25.2000112.6R192 E193R192-D196 PolarHBondContact O-N 3.43Å; E193-D196 PolarHBondContact O-N 3.43Å
197R84.4Confident89.9Confident66 Ų6694.4 Ų94.425%0.24948%0.481CS..THydrogen-bonded Turntrans-85.3-13.9176.3-74175.3-177.3-150.52.3114.2N184 T186 E193 G194 L195N184-R197 PolarHBondContact ND2-O 2.91Å; N184-R197 VanDerWaalsContact ND2-O 3.15Å; T186-R197 PolarHBondContact O-NH1 3.3Å; T186-R197 VanDerWaalsContact O-NH1 3.14Å; T186-R197 PolarHBondContact OG1-NH1 3.12Å; E193-R197 VanDerWaalsContact O-CG 3.28Å; E193-R197 WeakPolarHBondContact O-CG 3.38Å; E193-R197 PolarHBondContact O-N 2.85Å; E193-R197 VanDerWaalsContact O-N 3.09Å; E193-R197 IonicContact OE1-CZ 2.85Å; E193-R197 VanDerWaalsContact OE1-CZ 3.3Å; E193-R197 IonicContact OE1-NE 3.53Å; E193-R197 PolarHBondContact OE1-NE 3.18Å; E193-R197 IonicContact OE1-NH2 2.63Å; E193-R197 PolarHBondContact OE1-NH2 3.02Å; G194-R197 PolarHBondContact O-N 3.21Å; L195-R197 PolarHBondContact O-N 2.86Å
198L85.2Confident90.3Very high103 Ų10392.7 Ų92.754%0.53946%0.457SS..SBendtrans-73.3145.7178.6-70.2175000110.5G194 L195 K200G194-L198 PolarHBondContact O-N 2.84Å; L195-L198 HydrophobicContact CD2-CD1 4.15Å; L195-L198 PolarHBondContact O-N 3.21Å; L198-K200 PolarHBondContact O-N 2.81Å
199P85.6Confident90.8Very high91 Ų9190.5 Ų90.559%0.59144%0.441SS*.PPolyproline II helixtrans-55.5127.9170.9-24.134000110.5M201P199-M201 PolarHBondContact O-N 2.78Å
200K89.4Confident91.1Very high144 Ų14485.8 Ų85.863%0.62642%0.416SS*.PPolyproline II helixtrans-71.6123.9171.3-64.7-174-179.7-177.80109E169 L198E169-K200 HydrophobicContact CB-CB 4.21Å; E169-K200 HydrophobicContact CG-CB 4.04Å; E169-K200 PolarHBondContact N-O 3.12Å; E169-K200 WeakPolarHBondContact OE2-CB 3.34Å; E169-K200 WeakPolarHBondContact OE2-CD 3.49Å; L198-K200 PolarHBondContact O-N 2.81Å
201M91.4Very high91.4Very high110 Ų11084.3 Ų84.354%0.54240%0.402SS..EExtended strand (participates in β ladder)trans-115.5137.1-177.1-67.5-59.4-143.800108.7I166 I167 P168 P199I166-M201 HydrophobicContact CG2-CB 3.47Å; I166-M201 VanDerWaalsContact CG2-CB 3.47Å; I166-M201 HydrophobicContact CG2-CG 4.02Å; I166-M201 HydrophobicContact CG2-SD 4.28Å; I167-M201 WeakPolarHBondContact O-CA 3.44Å; P168-M201 VanDerWaalsContact CA-SD 3.58Å; P168-M201 HydrophobicContact CB-SD 3.94Å; P199-M201 PolarHBondContact O-N 2.78Å
202K93.4Very high91.8Very high78 Ų7877.1 Ų77.134%0.33937%0.367SS..EExtended strand (participates in β ladder)trans-127.6155.1172.968.6167.3-174165.50110.2I167 E169 E205I167-K202 HydrophobicContact CG1-CG 4.05Å; I167-K202 WeakPolarHBondContact CG1-O 3.37Å; I167-K202 PolarHBondContact N-O 3.35Å; I167-K202 PolarHBondContact O-N 3.4Å; E169-K202 HydrophobicContact CG-CB 3.96Å; E169-K202 HydrophobicContact CG-CD 4.19Å; E169-K202 HydrophobicContact CG-CG 3.91Å; K202-E205 IonicContact NZ-OE1 3.69Å; K202-E205 PolarHBondContact NZ-OE1 2.97Å
203Q93.7Very high92Very high53 Ų5374.4 Ų74.425%0.24837%0.367CS..EExtended strand (participates in β ladder)trans-67144.6170.1-169.4161.44.100110.2D165 I166 E205 T207 E208D165-Q203 CarbonylContact O-C 3.57Å; D165-Q203 WeakPolarHBondContact O-CA 3.27Å; I166-Q203 HydrophobicContact CD1-CB 4.11Å; Q203-E205 PolarHBondContact O-N 2.96Å; Q203-T207 WeakPolarHBondContact CG-OG1 3.36Å; Q203-E208 HydrophobicContact CG-CB 4.45Å; Q203-E208 VanDerWaalsContact NE2-CA 3.34Å
204R95.3Very high92.4Very high107 Ų10774.3 Ų74.340%0.40437%0.367SS..PPolyproline II helixtrans-67.3127.2174.4-176.6-172.7-52.2-80.6-7.3109D165 I167 G206 T207 E208D165-R204 HydrophobicContact CB-CB 4.25Å; D165-R204 VanDerWaalsContact CG-NE 3.34Å; D165-R204 PolarHBondContact O-N 3.13Å; D165-R204 IonicContact OD1-CZ 2.84Å; D165-R204 IonicContact OD1-NE 3.3Å; D165-R204 PolarHBondContact OD1-NE 2.9Å; D165-R204 IonicContact OD1-NH2 2.82Å; D165-R204 PolarHBondContact OD1-NH2 2.81Å; D165-R204 VanDerWaalsContact OD1-NH2 3.14Å; D165-R204 WeakPolarHBondContact OD2-CD 3.3Å; D165-R204 IonicContact OD2-CZ 3.68Å; D165-R204 IonicContact OD2-NE 3.2Å; D165-R204 PolarHBondContact OD2-NE 3.36Å; D165-R204 IonicContact OD2-NH2 3.31Å; I167-R204 HydrophobicContact CD1-CB 4.29Å; I167-R204 HydrophobicContact CD1-CG 4.43Å; I167-R204 HydrophobicContact CG1-CB 4.48Å; I167-R204 HydrophobicContact CG2-CB 4.35Å; R204-G206 PolarHBondContact O-N 3.08Å; R204-T207 HydrophobicContact CB-CG2 3.96Å; R204-T207 HydrophobicContact CG-CG2 4.17Å; R204-T207 WeakPolarHBondContact O-CB 3.1Å; R204-T207 PolarHBondContact O-N 3.22Å; R204-T207 VanDerWaalsContact O-N 3.07Å; R204-T207 PolarHBondContact O-OG1 3.18Å; R204-E208 VanDerWaalsContact O-OE2 3.1Å
205E95.5Very high92.7Very high144 Ų14475 Ų7567%0.67337%0.369SS*.THydrogen-bonded Turntrans-54.5132.9177.3-71.3162.7-150.500111.6K202 Q203 T207K202-E205 IonicContact NZ-OE1 3.69Å; K202-E205 PolarHBondContact NZ-OE1 2.97Å; Q203-E205 PolarHBondContact O-N 2.96Å; E205-T207 VanDerWaalsContact C-N 3.35Å
206G96.3Very high92.8Very high10 Ų1080 Ų8010%0.10339%0.386CS..THydrogen-bonded Turntrans84.80.2-177.100000115P155 L156 S157 R204 E208P155-G206 WeakPolarHBondContact CB-O 3.47Å; L156-G206 PolarHBondContact N-O 3.32Å; S157-G206 WeakPolarHBondContact CB-O 3.04Å; S157-G206 PolarHBondContact N-O 3.22Å; S157-G206 PolarHBondContact OG-O 2.88Å; R204-G206 PolarHBondContact O-N 3.08Å; G206-E208 PolarHBondContact N-OE1 3.44Å; G206-E208 VanDerWaalsContact N-OE1 3.16Å; G206-E208 PolarHBondContact N-OE2 2.71Å
207T96.1Very high92.9Very high31 Ų3181.5 Ų81.519%0.1939%0.387CS..  trans-103.6-11.9175.2700000113.2P155 D165 Q203 R204 E205P155-T207 WeakPolarHBondContact CG-O 3.23Å; D165-T207 HydrophobicContact CB-CG2 4.1Å; Q203-T207 WeakPolarHBondContact CG-OG1 3.36Å; R204-T207 HydrophobicContact CB-CG2 3.96Å; R204-T207 HydrophobicContact CG-CG2 4.17Å; R204-T207 WeakPolarHBondContact O-CB 3.1Å; R204-T207 PolarHBondContact O-N 3.22Å; R204-T207 VanDerWaalsContact O-N 3.07Å; R204-T207 PolarHBondContact O-OG1 3.18Å; E205-T207 VanDerWaalsContact C-N 3.35Å
208E95.4Very high93.3Very high60 Ų6079.7 Ų79.728%0.2838%0.383SS..SBendtrans-70.3140.3175.765.3-76.6178.500112.9P155 Q203 R204 G206P155-E208 WeakPolarHBondContact CA-O 3.24Å; P155-E208 VanDerWaalsContact CB-O 3.3Å; P155-E208 WeakPolarHBondContact CB-O 3.22Å; P155-E208 VanDerWaalsContact CG-O 3.32Å; P155-E208 WeakPolarHBondContact CG-O 3.39Å; Q203-E208 HydrophobicContact CG-CB 4.45Å; Q203-E208 VanDerWaalsContact NE2-CA 3.34Å; R204-E208 VanDerWaalsContact O-OE2 3.1Å; G206-E208 PolarHBondContact N-OE1 3.44Å; G206-E208 VanDerWaalsContact N-OE1 3.16Å; G206-E208 PolarHBondContact N-OE2 2.71Å
209L96.7Very high93.7Very high13 Ų1378.1 Ų78.17%0.06837%0.37CS..  trans-64.2135.6165.1-66.9175.7000107.9P155 V160 F211 F260 V270 E272P155-L209 HydrophobicContact CG-CD2 3.89Å; V160-L209 HydrophobicContact CG1-CD2 4.44Å; V160-L209 HydrophobicContact CG2-CD2 4.15Å; L209-F211 VanDerWaalsContact C-N 3.27Å; L209-F211 HydrophobicContact CB-CD2 3.75Å; L209-F211 HydrophobicContact CB-CE2 3.67Å; L209-F211 HydrophobicContact CB-CG 4.39Å; L209-F211 HydrophobicContact CB-CZ 4.23Å; L209-F211 HydrophobicContact CD1-CD2 4.24Å; L209-F211 HydrophobicContact CD1-CE2 3.34Å; L209-F211 HydrophobicContact CD1-CZ 3.71Å; L209-F211 HydrophobicContact CG-CE2 4.09Å; L209-F211 HydrophobicContact CG-CZ 4.45Å; L209-F211 PolarHBondContact O-N 2.88Å; L209-F260 HydrophobicContact CD2-CE1 4.21Å; L209-V270 HydrophobicContact CD1-CG1 4.03Å; L209-E272 HydrophobicContact CD1-CB 4.21Å; L209-E272 HydrophobicContact CD1-CG 4.2Å
210R97.4Very high94.1Very high85 Ų8575.7 Ų75.732%0.32136%0.355SS..  trans-9952.5-173.7-66.1-172.9-68.1154.1-1.2110.7V151 N152 L153 Q154V151-R210 PolarHBondContact O-NH2 3.43Å; N152-R210 VanDerWaalsContact O-CB 3.28Å; N152-R210 WeakPolarHBondContact O-CB 3.23Å; N152-R210 PolarHBondContact O-NE 2.85Å; N152-R210 VanDerWaalsContact O-NE 3.15Å; N152-R210 PolarHBondContact O-NH2 2.63Å; L153-R210 WeakPolarHBondContact CD2-O 3.47Å; L153-R210 PolarHBondContact O-N 3.43Å; Q154-R210 VanDerWaalsContact O-CZ 3.26Å; Q154-R210 PolarHBondContact O-NE 3.06Å; Q154-R210 PolarHBondContact O-NH2 3.46Å
211F97.8Very high94.3Very high29 Ų2975 Ų7513%0.12737%0.365CS..  trans-67159.1175.3-70.2-46.9000112.2L153 L209 E257 F260 A261 E272 H276L153-F211 HydrophobicContact CD2-CD1 4.25Å; L209-F211 VanDerWaalsContact C-N 3.27Å; L209-F211 HydrophobicContact CB-CD2 3.75Å; L209-F211 HydrophobicContact CB-CE2 3.67Å; L209-F211 HydrophobicContact CB-CG 4.39Å; L209-F211 HydrophobicContact CB-CZ 4.23Å; L209-F211 HydrophobicContact CD1-CD2 4.24Å; L209-F211 HydrophobicContact CD1-CE2 3.34Å; L209-F211 HydrophobicContact CD1-CZ 3.71Å; L209-F211 HydrophobicContact CG-CE2 4.09Å; L209-F211 HydrophobicContact CG-CZ 4.45Å; L209-F211 PolarHBondContact O-N 2.88Å; F211-E257 HydrophobicContact CD1-CG 3.98Å; F211-E257 HydrophobicContact CE1-CG 4.46Å; F211-F260 AromaticContact CE1-CD1 3.69Å; F211-F260 HydrophobicContact CE1-CD1 3.69Å; F211-F260 HydrophobicContact CE1-CE1 4.19Å; F211-F260 HydrophobicContact CZ-CD1 4.15Å; F211-F260 HydrophobicContact CZ-CE1 4.44Å; F211-A261 HydrophobicContact CE1-CB 3.9Å; F211-A261 HydrophobicContact CZ-CB 3.82Å; F211-E272 HydrophobicContact CE2-CG 4.45Å; F211-H276 AromaticContact CD1-CD2 3.33Å; F211-H276 WeakPolarHBondContact CD1-CD2 3.2Å; F211-H276 AromaticContact CD1-NE2 3.66Å; F211-H276 HydrophobicContact CD2-CB 3.75Å; F211-H276 AromaticContact CD2-CD2 3.67Å; F211-H276 AromaticContact CD2-CG 3.61Å; F211-H276 AromaticContact CE1-CD2 3.72Å; F211-H276 HydrophobicContact CE2-CB 3.75Å; F211-H276 HydrophobicContact CG-CB 4.31Å; F211-H276 AromaticContact CG-CD2 3.32Å; F211-H276 WeakPolarHBondContact CG-CD2 3.33Å; F211-H276 AromaticContact CG-CG 3.68Å; F211-H276 AromaticContact CG-NE2 3.59Å; F211-H276 HydrophobicContact CZ-CB 4.35Å
212S97.6Very high94.4Very high5 Ų573.8 Ų73.84%0.03538%0.38CS..  trans-66.3138.217158.90000111.1I214 E257 H276S212-I214 PolarHBondContact O-N 2.98Å; S212-E257 WeakPolarHBondContact CB-OE1 3.31Å; S212-E257 WeakPolarHBondContact CB-OE2 3.33Å; S212-E257 PolarHBondContact N-OE1 2.9Å; S212-E257 VanDerWaalsContact OG-CD 3.23Å; S212-E257 PolarHBondContact OG-OE1 3.36Å; S212-E257 PolarHBondContact OG-OE2 2.88Å; S212-H276 PolarHBondContact O-CE1 2.8Å
213D95.4Very high94.5Very high138 Ų13870.9 Ų70.974%0.73837%0.371SS*.  trans-72.3113.1175-79-48.1000110.4P215D213-P215 WeakPolarHBondContact O-CD 3.42Å
214I94.6Very high94.6Very high49 Ų4970.7 Ų70.725%0.25138%0.375SS..  trans-80.9121.2175.1-61.6172.2000109.1S212 K216 C279 L280 L283S212-I214 PolarHBondContact O-N 2.98Å; I214-K216 PolarHBondContact O-N 2.86Å; I214-C279 HydrophobicContact CD1-CB 3.32Å; I214-L280 HydrophobicContact CD1-CD2 3.89Å; I214-L280 HydrophobicContact CD1-CG 4.08Å; I214-L280 HydrophobicContact CG1-CD2 4.4Å; I214-L283 HydrophobicContact CG2-CD2 4.39Å
215P92.5Very high94.6Very high34 Ų3470.7 Ų70.722%0.22139%0.389CS..  trans-59.5121.2-176-25.834.1000113D213 K217 T241 V242D213-P215 WeakPolarHBondContact O-CD 3.42Å; P215-K217 VanDerWaalsContact C-N 3.27Å; P215-K217 PolarHBondContact O-N 3.49Å; P215-T241 HydrophobicContact CG-CG2 4.16Å; P215-V242 VanDerWaalsContact CD-CG2 3.49Å; P215-V242 HydrophobicContact CG-CG2 4.3Å
216K88.6Confident94.6Very high212 Ų21267.3 Ų67.392%0.92239%0.386SS*.SBendtrans-66.9-29.5173.1-65.7-176.5-179.4178.30112.8I214I214-K216 PolarHBondContact O-N 2.86Å
217K89.6Confident94.5Very high150 Ų15070.3 Ų70.365%0.65240%0.397SS*.SBendtrans-99116.9173.1-68.3-178.9-179.6177.10107.7P215 Y219P215-K217 VanDerWaalsContact C-N 3.27Å; P215-K217 PolarHBondContact O-N 3.49Å; K217-Y219 PolarHBondContact O-N 2.89Å
218T92Very high94.5Very high28 Ų2871.2 Ų71.217%0.17240%0.401CS..  trans-86.711.4-17169.40000114.1C231 S232 L235 Y237 S238T218-C231 WeakPolarHBondContact CB-O 3.26Å; T218-C231 WeakPolarHBondContact O-CB 3.44Å; T218-C231 PolarHBondContact OG1-O 3.35Å; T218-S232 PolarHBondContact OG1-OG 2.79Å; T218-L235 HydrophobicContact CG2-CD2 3.68Å; T218-Y237 VanDerWaalsContact O-CD1 3.27Å; T218-Y237 WeakPolarHBondContact O-CD1 3.43Å; T218-S238 WeakPolarHBondContact CA-OG 2.94Å; T218-S238 WeakPolarHBondContact CB-OG 3.45Å; T218-S238 PolarHBondContact O-OG 3.06Å
219Y93.8Very high94.5Very high70 Ų7072.3 Ų72.328%0.27541%0.412SS..SBendtrans-140.5157.3-169.150.5-96.3000111.2K217 A223 I228K217-Y219 PolarHBondContact O-N 2.89Å; Y219-A223 HydrophobicContact CD2-CB 3.89Å; Y219-A223 HydrophobicContact CG-CB 4.42Å; Y219-I228 HydrophobicContact CD1-CB 4.29Å; Y219-I228 HydrophobicContact CD1-CG1 4.11Å; Y219-I228 HydrophobicContact CD1-CG2 3.85Å; Y219-I228 HydrophobicContact CD2-CD1 4.41Å; Y219-I228 HydrophobicContact CD2-CG1 3.76Å; Y219-I228 HydrophobicContact CE1-CB 4.49Å; Y219-I228 HydrophobicContact CE1-CG1 4.22Å; Y219-I228 HydrophobicContact CE1-CG2 3.74Å; Y219-I228 HydrophobicContact CE2-CD1 4.03Å; Y219-I228 HydrophobicContact CE2-CG1 3.86Å; Y219-I228 HydrophobicContact CG-CB 4.41Å; Y219-I228 HydrophobicContact CG-CG1 3.87Å; Y219-I228 HydrophobicContact CG-CG2 4.45Å
220P93.9Very high94.4Very high40 Ų4079.3 Ų79.326%0.2644%0.437SS..  trans-67.2153.8-17724.1-32.9000113.2G222 A223 Y237P220-G222 PolarHBondContact O-N 3.27Å; P220-A223 HydrophobicContact CG-CB 4.24Å; P220-A223 VanDerWaalsContact O-CB 3.27Å; P220-A223 WeakPolarHBondContact O-CB 3.1Å; P220-A223 PolarHBondContact O-N 3.47Å; P220-A223 VanDerWaalsContact O-N 3.15Å; P220-Y237 WeakPolarHBondContact CA-OH 3.49Å; P220-Y237 HydrophobicContact CB-CE1 4.43Å; P220-Y237 HydrophobicContact CB-CE2 4.08Å; P220-Y237 HydrophobicContact CG-CE2 4.41Å
221P93.4Very high94.3Very high129 Ų12975.7 Ų75.784%0.83843%0.425SS*.THydrogen-bonded Turntrans-56.6130.5172.8-23.333.5000111.5
222G93.4Very high94Very high84 Ų8476.7 Ų76.787%0.86644%0.435SS*.THydrogen-bonded Turntrans819.9-179.200000115.1P220P220-G222 PolarHBondContact O-N 3.27Å
223A94.8Very high93.7Very high18 Ų1883 Ų8315%0.14947%0.466CS..  trans-54.7137.1175.900000112.6Y219 P220 E227 I228Y219-A223 HydrophobicContact CD2-CB 3.89Å; Y219-A223 HydrophobicContact CG-CB 4.42Å; P220-A223 HydrophobicContact CG-CB 4.24Å; P220-A223 VanDerWaalsContact O-CB 3.27Å; P220-A223 WeakPolarHBondContact O-CB 3.1Å; P220-A223 PolarHBondContact O-N 3.47Å; P220-A223 VanDerWaalsContact O-N 3.15Å; A223-E227 HydrophobicContact CB-CB 3.98Å; A223-I228 HydrophobicContact CB-CG1 3.83Å
224S96.4Very high93.7Very high48 Ų4878.1 Ų78.134%0.33644%0.44SS..  trans-66.1159169640000111.2A226 E227 I228S224-A226 PolarHBondContact O-N 3.27Å; S224-A226 VanDerWaalsContact O-N 3.16Å; S224-E227 WeakPolarHBondContact CB-OE2 3.48Å; S224-E227 PolarHBondContact N-OE2 3.5Å; S224-E227 PolarHBondContact O-N 2.81Å; S224-E227 VanDerWaalsContact OG-CG 3.31Å; S224-E227 WeakPolarHBondContact OG-CG 3.42Å; S224-E227 PolarHBondContact OG-N 3.24Å; S224-E227 PolarHBondContact OG-OE2 2.91Å; S224-I228 WeakPolarHBondContact O-CG1 3.41Å; S224-I228 PolarHBondContact O-N 2.9Å
225P96Very high93.9Very high107 Ų10776.5 Ų76.570%0.69543%0.432SS*.Hα-helixtrans-53.2-37.5176.8-28.636000113.8I228 T229P225-I228 PolarHBondContact O-N 3.41Å; P225-T229 PolarHBondContact O-N 3.24Å; P225-T229 PolarHBondContact O-OG1 2.92Å
226A95.3Very high94.1Very high74 Ų7475.1 Ų75.161%0.61242%0.423SS*.Hα-helixtrans-66.3-40176.700000112.5S224 R230S224-A226 PolarHBondContact O-N 3.27Å; S224-A226 VanDerWaalsContact O-N 3.16Å; A226-R230 WeakPolarHBondContact O-CB 3.18Å; A226-R230 PolarHBondContact O-N 3.04Å
227E94.4Very high94.5Very high72 Ų7269.3 Ų69.334%0.33640%0.396SS..Hα-helixtrans-68.9-38.1175.6-71.9166.7132.400112A223 S224 R230 C231A223-E227 HydrophobicContact CB-CB 3.98Å; S224-E227 WeakPolarHBondContact CB-OE2 3.48Å; S224-E227 PolarHBondContact N-OE2 3.5Å; S224-E227 PolarHBondContact O-N 2.81Å; S224-E227 VanDerWaalsContact OG-CG 3.31Å; S224-E227 WeakPolarHBondContact OG-CG 3.42Å; S224-E227 PolarHBondContact OG-N 3.24Å; S224-E227 PolarHBondContact OG-OE2 2.91Å; E227-R230 PolarHBondContact O-N 2.63Å; E227-C231 VanDerWaalsContact O-CB 3.29Å; E227-C231 WeakPolarHBondContact O-CB 3.38Å; E227-C231 PolarHBondContact O-N 3.41Å; E227-C231 PolarHBondContact O-SG 3.46Å; E227-C231 VanDerWaalsContact O-SG 3.41Å
228I95.4Very high94.9Very high51 Ų5162.2 Ų62.226%0.26237%0.365SS..Hα-helixtrans-57.4-53.7173.1-67.2171.5000109.5Y219 A223 S224 P225 R230 C231 S232Y219-I228 HydrophobicContact CD1-CB 4.29Å; Y219-I228 HydrophobicContact CD1-CG1 4.11Å; Y219-I228 HydrophobicContact CD1-CG2 3.85Å; Y219-I228 HydrophobicContact CD2-CD1 4.41Å; Y219-I228 HydrophobicContact CD2-CG1 3.76Å; Y219-I228 HydrophobicContact CE1-CB 4.49Å; Y219-I228 HydrophobicContact CE1-CG1 4.22Å; Y219-I228 HydrophobicContact CE1-CG2 3.74Å; Y219-I228 HydrophobicContact CE2-CD1 4.03Å; Y219-I228 HydrophobicContact CE2-CG1 3.86Å; Y219-I228 HydrophobicContact CG-CB 4.41Å; Y219-I228 HydrophobicContact CG-CG1 3.87Å; Y219-I228 HydrophobicContact CG-CG2 4.45Å; A223-I228 HydrophobicContact CB-CG1 3.83Å; S224-I228 WeakPolarHBondContact O-CG1 3.41Å; S224-I228 PolarHBondContact O-N 2.9Å; P225-I228 PolarHBondContact O-N 3.41Å; I228-R230 VanDerWaalsContact C-N 3.33Å; I228-R230 PolarHBondContact O-N 2.9Å; I228-C231 PolarHBondContact O-N 2.92Å; I228-S232 WeakPolarHBondContact O-CB 3.43Å; I228-S232 PolarHBondContact O-N 3.26Å; I228-S232 PolarHBondContact O-OG 3.1Å; I228-S232 VanDerWaalsContact O-OG 3.07Å
229T94.9Very high95.2Very high83 Ų8360.9 Ų60.951%0.50936%0.357SS..Hα-helixtrans-56.8-47.2178.1-61.10000111.5P225 C231 S232 M233P225-T229 PolarHBondContact O-N 3.24Å; P225-T229 PolarHBondContact O-OG1 2.92Å; T229-C231 PolarHBondContact O-N 3.38Å; T229-S232 PolarHBondContact O-N 3.31Å; T229-M233 HydrophobicContact CG2-SD 4.16Å; T229-M233 WeakPolarHBondContact O-CG 3.47Å; T229-M233 PolarHBondContact O-N 2.75Å
230R94.8Very high95.3Very high159 Ų15959.1 Ų59.160%0.635%0.351SS*.Hα-helixtrans-57.3-49.1178.4-175.1-176.766.5-175.8-3.1112A226 E227 I228 S232 M233 D234A226-R230 WeakPolarHBondContact O-CB 3.18Å; A226-R230 PolarHBondContact O-N 3.04Å; E227-R230 PolarHBondContact O-N 2.63Å; I228-R230 VanDerWaalsContact C-N 3.33Å; I228-R230 PolarHBondContact O-N 2.9Å; R230-S232 VanDerWaalsContact C-N 3.29Å; R230-S232 PolarHBondContact O-N 3.11Å; R230-M233 PolarHBondContact O-N 2.95Å; R230-D234 PolarHBondContact O-N 3.06Å
231C94.9Very high95.5Very high9 Ų958.1 Ų58.16%0.06134%0.344CS..Hα-helixtrans-75.8-12.2-179.1-72.10000114.1T218 E227 I228 T229 D234T218-C231 WeakPolarHBondContact CB-O 3.26Å; T218-C231 WeakPolarHBondContact O-CB 3.44Å; T218-C231 PolarHBondContact OG1-O 3.35Å; E227-C231 VanDerWaalsContact O-CB 3.29Å; E227-C231 WeakPolarHBondContact O-CB 3.38Å; E227-C231 PolarHBondContact O-N 3.41Å; E227-C231 PolarHBondContact O-SG 3.46Å; E227-C231 VanDerWaalsContact O-SG 3.41Å; I228-C231 PolarHBondContact O-N 2.92Å; T229-C231 PolarHBondContact O-N 3.38Å; C231-D234 CarbonylContact C-O 3.6Å; C231-D234 WeakPolarHBondContact CA-O 3.49Å; C231-D234 VanDerWaalsContact O-O 3.09Å
232S92.4Very high95.7Very high51 Ų5152 Ų5236%0.35730%0.304SS..Hα-helixtrans-89-24.8170.1-64.80000112.5T218 I228 T229 R230 R286T218-S232 PolarHBondContact OG1-OG 2.79Å; I228-S232 WeakPolarHBondContact O-CB 3.43Å; I228-S232 PolarHBondContact O-N 3.26Å; I228-S232 PolarHBondContact O-OG 3.1Å; I228-S232 VanDerWaalsContact O-OG 3.07Å; T229-S232 PolarHBondContact O-N 3.31Å; R230-S232 VanDerWaalsContact C-N 3.29Å; R230-S232 PolarHBondContact O-N 3.11Å; S232-R286 PolarHBondContact O-NH2 2.92Å; S232-R286 VanDerWaalsContact O-NH2 3.07Å
233M92.1Very high95.9Very high138 Ų13848.1 Ų48.168%0.6826%0.264SS*.Hα-helixtrans-79.3-39.4171.2-69.1-179.868.600112T229 R230T229-M233 HydrophobicContact CG2-SD 4.16Å; T229-M233 WeakPolarHBondContact O-CG 3.47Å; T229-M233 PolarHBondContact O-N 2.75Å; R230-M233 PolarHBondContact O-N 2.95Å
234D95.6Very high96Very high34 Ų3453.5 Ų53.518%0.18229%0.286CS..  trans-120.2111.9176.7-178.3-1.2000110.3R230 C231 S236 S287 E288 D289R230-D234 PolarHBondContact O-N 3.06Å; C231-D234 CarbonylContact C-O 3.6Å; C231-D234 WeakPolarHBondContact CA-O 3.49Å; C231-D234 VanDerWaalsContact O-O 3.09Å; D234-S236 VanDerWaalsContact CG-OG 3.31Å; D234-S236 PolarHBondContact O-N 3.36Å; D234-S236 WeakPolarHBondContact OD1-CB 3.41Å; D234-S236 PolarHBondContact OD1-N 3.41Å; D234-S236 PolarHBondContact OD1-OG 3.38Å; D234-S236 PolarHBondContact OD2-OG 3.5Å; D234-S287 VanDerWaalsContact OD1-CA 3.3Å; D234-S287 WeakPolarHBondContact OD1-CA 3.45Å; D234-E288 PolarHBondContact OD1-N 3.29Å; D234-D289 WeakPolarHBondContact OD2-CB 3.41Å; D234-D289 PolarHBondContact OD2-N 3.5Å; D234-D289 VanDerWaalsContact OD2-N 3.11Å
235L97.1Very high95.9Very high16 Ų1657.3 Ų57.38%0.08430%0.299CS..THydrogen-bonded Turntrans-79.37.2-178.1-57.9-172.5000113.6T218 Y237 S238 L239 L283 R286 S287T218-L235 HydrophobicContact CG2-CD2 3.68Å; L235-Y237 PolarHBondContact O-N 3.42Å; L235-Y237 VanDerWaalsContact O-N 3.13Å; L235-S238 WeakPolarHBondContact O-CA 3.49Å; L235-S238 WeakPolarHBondContact O-CB 3.37Å; L235-S238 PolarHBondContact O-N 3Å; L235-L239 PolarHBondContact O-N 3.21Å; L235-L283 HydrophobicContact CB-CD1 3.97Å; L235-L283 HydrophobicContact CD1-CD1 4.37Å; L235-R286 HydrophobicContact CB-CB 4.47Å; L235-R286 HydrophobicContact CD1-CB 3.87Å; L235-R286 HydrophobicContact CG-CB 3.96Å; L235-R286 PolarHBondContact N-O 3.23Å; L235-S287 PolarHBondContact O-OG 3.41Å
236S97.4Very high96Very high5 Ų555.2 Ų55.24%0.03528%0.281CS..Hα-helixtrans-53.5-37.5-178.8-65.30000112.8D234 S238 L239 E240 S287 E288 D289 A290D234-S236 VanDerWaalsContact CG-OG 3.31Å; D234-S236 PolarHBondContact O-N 3.36Å; D234-S236 WeakPolarHBondContact OD1-CB 3.41Å; D234-S236 PolarHBondContact OD1-N 3.41Å; D234-S236 PolarHBondContact OD1-OG 3.38Å; D234-S236 PolarHBondContact OD2-OG 3.5Å; S236-S238 PolarHBondContact O-N 3.33Å; S236-L239 PolarHBondContact O-N 3.13Å; S236-E240 WeakPolarHBondContact O-CB 3.32Å; S236-E240 VanDerWaalsContact O-CG 3.24Å; S236-E240 WeakPolarHBondContact O-CG 3.47Å; S236-E240 PolarHBondContact O-N 2.77Å; S236-S287 PolarHBondContact N-OG 3.42Å; S236-S287 VanDerWaalsContact OG-C 3.25Å; S236-S287 WeakPolarHBondContact OG-CA 3.39Å; S236-S287 WeakPolarHBondContact OG-CB 3.32Å; S236-E288 PolarHBondContact OG-N 2.99Å; S236-D289 PolarHBondContact OG-N 3.42Å; S236-D289 VanDerWaalsContact OG-N 3.12Å; S236-A290 PolarHBondContact OG-N 3.01Å
237Y96.9Very high96Very high89 Ų8952.7 Ų52.735%0.34926%0.256SS..Hα-helixtrans-60.4-44.7174.7172.4-97.2000112.5T218 P220 L235 T241T218-Y237 VanDerWaalsContact O-CD1 3.27Å; T218-Y237 WeakPolarHBondContact O-CD1 3.43Å; P220-Y237 WeakPolarHBondContact CA-OH 3.49Å; P220-Y237 HydrophobicContact CB-CE1 4.43Å; P220-Y237 HydrophobicContact CB-CE2 4.08Å; P220-Y237 HydrophobicContact CG-CE2 4.41Å; L235-Y237 PolarHBondContact O-N 3.42Å; L235-Y237 VanDerWaalsContact O-N 3.13Å; Y237-T241 PolarHBondContact O-N 3.11Å; Y237-T241 PolarHBondContact O-OG1 3.27Å
238S97.5Very high96Very high1 Ų153.4 Ų53.41%0.00727%0.267CS..Hα-helixtrans-66.8-40.9177.7-62.80000111.9T218 L235 S236 T241 V242T218-S238 WeakPolarHBondContact CA-OG 2.94Å; T218-S238 WeakPolarHBondContact CB-OG 3.45Å; T218-S238 PolarHBondContact O-OG 3.06Å; L235-S238 WeakPolarHBondContact O-CA 3.49Å; L235-S238 WeakPolarHBondContact O-CB 3.37Å; L235-S238 PolarHBondContact O-N 3Å; S236-S238 PolarHBondContact O-N 3.33Å; S238-T241 WeakPolarHBondContact O-CB 3.28Å; S238-T241 PolarHBondContact O-N 3.09Å; S238-V242 WeakPolarHBondContact O-CG2 3.49Å; S238-V242 PolarHBondContact O-N 2.93Å
239L98.1Very high96Very high0 Ų058 Ų580%029%0.292CS..Hα-helixtrans-61.8-47.2177.3175.158.3000110.8L235 S236 T241 V242 L243 L254 L283 L284 S287 A290L235-L239 PolarHBondContact O-N 3.21Å; S236-L239 PolarHBondContact O-N 3.13Å; L239-T241 VanDerWaalsContact C-N 3.3Å; L239-T241 PolarHBondContact O-N 3.28Å; L239-V242 PolarHBondContact O-N 2.86Å; L239-L243 HydrophobicContact CD1-CD1 4.18Å; L239-L243 HydrophobicContact CD1-CG 4.21Å; L239-L243 HydrophobicContact CG-CD1 4.11Å; L239-L243 VanDerWaalsContact O-CG 3.31Å; L239-L243 WeakPolarHBondContact O-CG 3.48Å; L239-L243 PolarHBondContact O-N 3.02Å; L239-L254 HydrophobicContact CD1-CD2 3.36Å; L239-L283 HydrophobicContact CB-CD1 4.07Å; L239-L283 HydrophobicContact CB-CG 4.09Å; L239-L283 HydrophobicContact CD1-CD2 4.18Å; L239-L283 HydrophobicContact CD1-CG 4.2Å; L239-L284 HydrophobicContact CD1-CD2 3.88Å; L239-L284 HydrophobicContact CD2-CD2 4.09Å; L239-S287 WeakPolarHBondContact CB-OG 3.32Å; L239-A290 HydrophobicContact CD2-CB 3.67Å
240E97.3Very high96Very high33 Ų3358.7 Ų58.715%0.15429%0.29CS..Hα-helixtrans-61.6-38.9176-67.4-60.4161.400111.7S236 V242 L243 E244 R294S236-E240 WeakPolarHBondContact O-CB 3.32Å; S236-E240 VanDerWaalsContact O-CG 3.24Å; S236-E240 WeakPolarHBondContact O-CG 3.47Å; S236-E240 PolarHBondContact O-N 2.77Å; E240-V242 PolarHBondContact O-N 3.22Å; E240-L243 PolarHBondContact O-N 3.42Å; E240-E244 WeakPolarHBondContact O-CB 3.33Å; E240-E244 VanDerWaalsContact O-CG 3.27Å; E240-E244 WeakPolarHBondContact O-CG 3.34Å; E240-E244 PolarHBondContact O-N 3.44Å; E240-R294 IonicContact OE1-CZ 2.81Å; E240-R294 IonicContact OE1-NE 2.73Å; E240-R294 PolarHBondContact OE1-NE 2.92Å; E240-R294 IonicContact OE1-NH2 3.56Å; E240-R294 IonicContact OE2-CZ 2.81Å; E240-R294 VanDerWaalsContact OE2-CZ 3.31Å; E240-R294 IonicContact OE2-NE 3.27Å; E240-R294 PolarHBondContact OE2-NE 2.63Å; E240-R294 IonicContact OE2-NH2 3.55Å; E240-R294 PolarHBondContact OE2-NH2 3.35Å
241T96.9Very high96Very high19 Ų1952.7 Ų52.712%0.11727%0.271CS..Hα-helixtrans-60.5-45174.7-57.40000111.8P215 Y237 S238 L239 E244 Q245P215-T241 HydrophobicContact CG-CG2 4.16Å; Y237-T241 PolarHBondContact O-N 3.11Å; Y237-T241 PolarHBondContact O-OG1 3.27Å; S238-T241 WeakPolarHBondContact O-CB 3.28Å; S238-T241 PolarHBondContact O-N 3.09Å; L239-T241 VanDerWaalsContact C-N 3.3Å; L239-T241 PolarHBondContact O-N 3.28Å; T241-E244 PolarHBondContact O-N 3.16Å; T241-Q245 HydrophobicContact CG2-CG 4.48Å; T241-Q245 WeakPolarHBondContact O-CB 3.47Å; T241-Q245 VanDerWaalsContact O-CG 3.23Å; T241-Q245 WeakPolarHBondContact O-CG 3.27Å; T241-Q245 PolarHBondContact O-N 3.25Å
242V97.9Very high96.1Very high0 Ų055.8 Ų55.80%029%0.287CS..Hα-helixtrans-63.2-44.61771710000110.8P215 S238 L239 E240 Q245 N246 L254 L283P215-V242 VanDerWaalsContact CD-CG2 3.49Å; P215-V242 HydrophobicContact CG-CG2 4.3Å; S238-V242 WeakPolarHBondContact O-CG2 3.49Å; S238-V242 PolarHBondContact O-N 2.93Å; L239-V242 PolarHBondContact O-N 2.86Å; E240-V242 PolarHBondContact O-N 3.22Å; V242-Q245 PolarHBondContact O-N 3.18Å; V242-N246 WeakPolarHBondContact O-CB 3.46Å; V242-N246 PolarHBondContact O-N 3.4Å; V242-N246 PolarHBondContact O-ND2 3.5Å; V242-L254 HydrophobicContact CG1-CD1 3.95Å; V242-L283 HydrophobicContact CB-CD2 4.43Å; V242-L283 HydrophobicContact CG2-CD2 3.98Å
243L97.7Very high96.4Very high3 Ų354.7 Ų54.72%0.01628%0.277CS..Hα-helixtrans-63.1-45.5178.6-70.8173.9000111.9L239 E240 Q245 Y247 P248 P251 L254 L297L239-L243 HydrophobicContact CD1-CD1 4.18Å; L239-L243 HydrophobicContact CD1-CG 4.21Å; L239-L243 HydrophobicContact CG-CD1 4.11Å; L239-L243 VanDerWaalsContact O-CG 3.31Å; L239-L243 WeakPolarHBondContact O-CG 3.48Å; L239-L243 PolarHBondContact O-N 3.02Å; E240-L243 PolarHBondContact O-N 3.42Å; L243-Q245 PolarHBondContact O-N 2.94Å; L243-Y247 CarbonylContact O-C 3.44Å; L243-Y247 VanDerWaalsContact O-CA 3.24Å; L243-Y247 WeakPolarHBondContact O-CA 3.17Å; L243-Y247 PolarHBondContact O-N 3.43Å; L243-P248 VanDerWaalsContact O-N 3.17Å; L243-P251 HydrophobicContact CD2-CB 4.02Å; L243-L254 HydrophobicContact CD2-CB 3.94Å; L243-L254 HydrophobicContact CD2-CD2 3.74Å; L243-L254 HydrophobicContact CD2-CG 4.42Å; L243-L254 HydrophobicContact CG-CD2 4.3Å; L243-L297 HydrophobicContact CD1-CD2 4.36Å
244E96.1Very high96.7Very high131 Ų13148.1 Ų48.161%0.61224%0.244SC*.Hα-helixtrans-65.8-37180-73.8173.9-179.900112.5E240 T241E240-E244 WeakPolarHBondContact O-CB 3.33Å; E240-E244 VanDerWaalsContact O-CG 3.27Å; E240-E244 WeakPolarHBondContact O-CG 3.34Å; E240-E244 PolarHBondContact O-N 3.44Å; T241-E244 PolarHBondContact O-N 3.16Å
245Q96.1Very high96.8Very high129 Ų12946.5 Ų46.560%0.60324%0.236SC*.Hα-helixtrans-77.9-36.8-177.9-72.4175.3-1.300113.3T241 V242 L243T241-Q245 HydrophobicContact CG2-CG 4.48Å; T241-Q245 WeakPolarHBondContact O-CB 3.47Å; T241-Q245 VanDerWaalsContact O-CG 3.23Å; T241-Q245 WeakPolarHBondContact O-CG 3.27Å; T241-Q245 PolarHBondContact O-N 3.25Å; V242-Q245 PolarHBondContact O-N 3.18Å; L243-Q245 PolarHBondContact O-N 2.94Å
246N96.8Very high96.9Very high63 Ų6345.7 Ų45.734%0.33723%0.232SC..Hα-helixtrans-111.5-30.1-169.5-57.5-82.4000113V242V242-N246 WeakPolarHBondContact O-CB 3.46Å; V242-N246 PolarHBondContact O-N 3.4Å; V242-N246 PolarHBondContact O-ND2 3.5Å
247Y96.6Very high97Very high20 Ų2045.5 Ų45.58%0.07823%0.23CC..  trans-138.546.5-168.8-54.6-56.2000114.2L149 L243 D249 Q250 N253 L254 E257L149-Y247 HydrophobicContact CD1-CE1 3.84Å; L243-Y247 CarbonylContact O-C 3.44Å; L243-Y247 VanDerWaalsContact O-CA 3.24Å; L243-Y247 WeakPolarHBondContact O-CA 3.17Å; L243-Y247 PolarHBondContact O-N 3.43Å; Y247-D249 VanDerWaalsContact C-N 3.3Å; Y247-D249 PolarHBondContact O-N 3.4Å; Y247-Q250 CarbonylContact O-C 2.95Å; Y247-Q250 PolarHBondContact O-N 2.83Å; Y247-N253 HydrophobicContact CD1-CB 3.38Å; Y247-N253 HydrophobicContact CE1-CB 3.63Å; Y247-N253 HydrophobicContact CG-CB 3.98Å; Y247-L254 HydrophobicContact CD2-CB 4.06Å; Y247-L254 HydrophobicContact CD2-CD1 4.24Å; Y247-L254 HydrophobicContact CE2-CB 4.25Å; Y247-L254 HydrophobicContact CE2-CD1 3.92Å; Y247-E257 WeakPolarHBondContact CE2-OE2 3.24Å; Y247-E257 VanDerWaalsContact CZ-OE2 3.22Å; Y247-E257 PolarHBondContact OH-OE2 2.84Å
248P94.1Very high97.1Very high87 Ų8741.2 Ų41.257%0.56521%0.214SC*.SBendtrans-59.4-39.1-171.323.5-34.3000113.1L243L243-P248 VanDerWaalsContact O-N 3.17Å
249D94.4Very high97.1Very high147 Ų14741.2 Ų41.279%0.78621%0.213SC*.SBendtrans-94.8-20.1-177.2-59.2-52.7000113.5Y247Y247-D249 VanDerWaalsContact C-N 3.3Å; Y247-D249 PolarHBondContact O-N 3.4Å
250Q95Very high97.1Very high98 Ų9841.2 Ų41.246%0.45821%0.213SC..  trans-135.470.1-172.8-63.8179.929.800112Y247 L252 N253Y247-Q250 CarbonylContact O-C 2.95Å; Y247-Q250 PolarHBondContact O-N 2.83Å; Q250-L252 PolarHBondContact O-N 3.28Å; Q250-N253 WeakPolarHBondContact CB-ND2 3.18Å; Q250-N253 VanDerWaalsContact O-CB 3.3Å; Q250-N253 WeakPolarHBondContact O-CB 3.48Å; Q250-N253 PolarHBondContact O-N 3.39Å; Q250-N253 PolarHBondContact OE1-ND2 2.92Å; Q250-N253 PolarHBondContact OE1-OD1 3.42Å
251P95.4Very high97.2Very high33 Ų3339.6 Ų39.621%0.21421%0.206CC..THydrogen-bonded Turntrans-57.8-24.6-176.2-2735.6000115L243 N253 L254L243-P251 HydrophobicContact CD2-CB 4.02Å; P251-N253 PolarHBondContact O-N 3.39Å; P251-L254 WeakPolarHBondContact O-CB 3.38Å; P251-L254 PolarHBondContact O-N 2.91Å
252L96.9Very high97.2Very high74 Ų7438.8 Ų38.839%0.38720%0.201SC..THydrogen-bonded Turntrans-68.3-18.1176.2-62.1-179.3000113Q250 L254 L255 G256 L297Q250-L252 PolarHBondContact O-N 3.28Å; L252-L254 PolarHBondContact O-N 2.95Å; L252-L254 VanDerWaalsContact O-N 3.17Å; L252-L255 HydrophobicContact CD2-CD1 4.09Å; L252-L255 WeakPolarHBondContact O-CA 3.1Å; L252-L255 VanDerWaalsContact O-CB 3.27Å; L252-L255 WeakPolarHBondContact O-CB 3.19Å; L252-L255 PolarHBondContact O-N 3.45Å; L252-G256 PolarHBondContact O-N 2.94Å; L252-L297 HydrophobicContact CD2-CB 4.42Å; L252-L297 HydrophobicContact CD2-CD1 4.18Å
253N98.1Very high97.3Very high28 Ų2838.8 Ų38.815%0.1520%0.201CC..Hα-helixtrans-62.2-21.8174.3-73.5-6.9000112.3L149 Y247 Q250 P251 L255 G256 E257L149-N253 HydrophobicContact CD1-CB 4.34Å; L149-N253 HydrophobicContact CD2-CB 4.11Å; L149-N253 WeakPolarHBondContact CD2-O 3.42Å; Y247-N253 HydrophobicContact CD1-CB 3.38Å; Y247-N253 HydrophobicContact CE1-CB 3.63Å; Y247-N253 HydrophobicContact CG-CB 3.98Å; Q250-N253 WeakPolarHBondContact CB-ND2 3.18Å; Q250-N253 VanDerWaalsContact O-CB 3.3Å; Q250-N253 WeakPolarHBondContact O-CB 3.48Å; Q250-N253 PolarHBondContact O-N 3.39Å; Q250-N253 PolarHBondContact OE1-ND2 2.92Å; Q250-N253 PolarHBondContact OE1-OD1 3.42Å; P251-N253 PolarHBondContact O-N 3.39Å; N253-L255 PolarHBondContact O-N 3.36Å; N253-G256 CarbonylContact O-C 3.48Å; N253-G256 WeakPolarHBondContact O-CA 3.33Å; N253-G256 PolarHBondContact O-N 3.07Å; N253-E257 PolarHBondContact O-N 3.21Å
254L98.6Very high97.2Very high0 Ų038.7 Ų38.70%020%0.2CC..Hα-helixtrans-61.5-33.3169.8-171.364.9000112.1L239 V242 L243 Y247 P251 L252 E257 L258 L280 L284L239-L254 HydrophobicContact CD1-CD2 3.36Å; V242-L254 HydrophobicContact CG1-CD1 3.95Å; L243-L254 HydrophobicContact CD2-CB 3.94Å; L243-L254 HydrophobicContact CD2-CD2 3.74Å; L243-L254 HydrophobicContact CD2-CG 4.42Å; L243-L254 HydrophobicContact CG-CD2 4.3Å; Y247-L254 HydrophobicContact CD2-CB 4.06Å; Y247-L254 HydrophobicContact CD2-CD1 4.24Å; Y247-L254 HydrophobicContact CE2-CB 4.25Å; Y247-L254 HydrophobicContact CE2-CD1 3.92Å; P251-L254 WeakPolarHBondContact O-CB 3.38Å; P251-L254 PolarHBondContact O-N 2.91Å; L252-L254 PolarHBondContact O-N 2.95Å; L252-L254 VanDerWaalsContact O-N 3.17Å; L254-E257 PolarHBondContact O-N 3.39Å; L254-L258 WeakPolarHBondContact O-CB 3.36Å; L254-L258 PolarHBondContact O-N 3.17Å; L254-L280 HydrophobicContact CD1-CD2 3.63Å; L254-L280 HydrophobicContact CG-CD2 4.47Å; L254-L284 HydrophobicContact CD2-CD2 3.9Å; L254-L284 HydrophobicContact CD2-CG 4.43Å
255L98.7Very high97.2Very high0 Ų033.5 Ų33.50%018%0.176CC..Hα-helixtrans-72-34.2172.7-56.2-179.4000111.7Q144 L252 N253 E257 L258 Q259 L284 L297 L301 V304Q144-L255 HydrophobicContact CB-CB 4.15Å; Q144-L255 HydrophobicContact CG-CB 4Å; L252-L255 HydrophobicContact CD2-CD1 4.09Å; L252-L255 WeakPolarHBondContact O-CA 3.1Å; L252-L255 VanDerWaalsContact O-CB 3.27Å; L252-L255 WeakPolarHBondContact O-CB 3.19Å; L252-L255 PolarHBondContact O-N 3.45Å; N253-L255 PolarHBondContact O-N 3.36Å; L255-E257 VanDerWaalsContact C-N 3.34Å; L255-L258 WeakPolarHBondContact O-CB 3.33Å; L255-L258 PolarHBondContact O-N 3.31Å; L255-Q259 WeakPolarHBondContact O-CG 3.46Å; L255-Q259 PolarHBondContact O-N 3.19Å; L255-L284 HydrophobicContact CD2-CD1 4.49Å; L255-L297 HydrophobicContact CD1-CD1 4.13Å; L255-L297 HydrophobicContact CD2-CD1 3.83Å; L255-L297 HydrophobicContact CG-CD1 3.7Å; L255-L301 HydrophobicContact CD2-CB 4.02Å; L255-L301 HydrophobicContact CD2-CD1 4.18Å; L255-V304 HydrophobicContact CB-CG2 4.33Å
256G98.6Very high97.1Very high0 Ų029.5 Ų29.50%016%0.158CC..Hα-helixtrans-63.9-40.5171.400000111.8Q144 L252 N253 Q259 F260Q144-G256 VanDerWaalsContact O-CA 3.26Å; Q144-G256 WeakPolarHBondContact O-CA 3.36Å; L252-G256 PolarHBondContact O-N 2.94Å; N253-G256 CarbonylContact O-C 3.48Å; N253-G256 WeakPolarHBondContact O-CA 3.33Å; N253-G256 PolarHBondContact O-N 3.07Å; G256-Q259 PolarHBondContact O-N 3.08Å; G256-F260 WeakPolarHBondContact O-CB 3.06Å; G256-F260 PolarHBondContact O-N 2.92Å
257E98.8Very high97Very high0 Ų027.2 Ų27.20%015%0.146CC..Hα-helixtrans-64.9-41.8173.3-172.6178.3165.200111.8L153 F211 S212 Y247 N253 L254 L255 Q259 F260 A261 H276 L280L153-E257 HydrophobicContact CD1-CB 3.94Å; L153-E257 HydrophobicContact CD1-CG 3.9Å; L153-E257 HydrophobicContact CD2-CB 4.48Å; L153-E257 HydrophobicContact CD2-CG 3.84Å; F211-E257 HydrophobicContact CD1-CG 3.98Å; F211-E257 HydrophobicContact CE1-CG 4.46Å; S212-E257 WeakPolarHBondContact CB-OE1 3.31Å; S212-E257 WeakPolarHBondContact CB-OE2 3.33Å; S212-E257 PolarHBondContact N-OE1 2.9Å; S212-E257 VanDerWaalsContact OG-CD 3.23Å; S212-E257 PolarHBondContact OG-OE1 3.36Å; S212-E257 PolarHBondContact OG-OE2 2.88Å; Y247-E257 WeakPolarHBondContact CE2-OE2 3.24Å; Y247-E257 VanDerWaalsContact CZ-OE2 3.22Å; Y247-E257 PolarHBondContact OH-OE2 2.84Å; N253-E257 PolarHBondContact O-N 3.21Å; L254-E257 PolarHBondContact O-N 3.39Å; L255-E257 VanDerWaalsContact C-N 3.34Å; E257-Q259 VanDerWaalsContact C-N 3.3Å; E257-Q259 PolarHBondContact O-N 3.23Å; E257-F260 PolarHBondContact O-N 3.13Å; E257-A261 WeakPolarHBondContact O-CB 3.47Å; E257-A261 PolarHBondContact O-N 3.37Å; E257-H276 IonicContact OE1-CD2 3.94Å; E257-H276 IonicContact OE1-CE1 3Å; E257-H276 PolarHBondContact OE1-CE1 2.83Å; E257-H276 IonicContact OE1-NE2 3.74Å; E257-H276 PolarHBondContact OE1-NE2 2.62Å; E257-L280 HydrophobicContact CB-CD1 4.37Å; E257-L280 HydrophobicContact CG-CD1 4.02Å
258L98.8Very high96.9Very high0 Ų026.3 Ų26.30%014%0.143CC..Hα-helixtrans-58.7-41.5172.7-176.872.5000111.8L254 L255 F262 W277 L280 L284 L301 V304L254-L258 WeakPolarHBondContact O-CB 3.36Å; L254-L258 PolarHBondContact O-N 3.17Å; L255-L258 WeakPolarHBondContact O-CB 3.33Å; L255-L258 PolarHBondContact O-N 3.31Å; L258-F262 WeakPolarHBondContact O-CB 3.3Å; L258-F262 PolarHBondContact O-N 3.45Å; L258-F262 VanDerWaalsContact O-N 3.1Å; L258-W277 HydrophobicContact CD1-CG 4.27Å; L258-L280 HydrophobicContact CB-CD1 4.19Å; L258-L280 HydrophobicContact CD1-CB 3.72Å; L258-L280 HydrophobicContact CD1-CD1 4.3Å; L258-L284 HydrophobicContact CD2-CD1 4.27Å; L258-L301 HydrophobicContact CD2-CD1 3.53Å; L258-V304 HydrophobicContact CD2-CG1 4.03Å
259Q98.7Very high96.9Very high0 Ų026.6 Ų26.60%014%0.14CC..Hα-helixtrans-68.2-43.1175.3-80.5-172.5-29.200112.7S140 L141 D143 Q144 I145 L255 G256 E257 A261 F262 V263 V304S140-Q259 PolarHBondContact O-NE2 3.47Å; L141-Q259 WeakPolarHBondContact O-CB 3.49Å; L141-Q259 WeakPolarHBondContact O-CG 3.23Å; L141-Q259 PolarHBondContact O-NE2 3.13Å; D143-Q259 PolarHBondContact OD1-NE2 3.42Å; D143-Q259 PolarHBondContact OD1-OE1 3.13Å; Q144-Q259 VanDerWaalsContact CB-OE1 3.22Å; I145-Q259 HydrophobicContact CD1-CB 3.85Å; I145-Q259 HydrophobicContact CG1-CB 3.77Å; L255-Q259 WeakPolarHBondContact O-CG 3.46Å; L255-Q259 PolarHBondContact O-N 3.19Å; G256-Q259 PolarHBondContact O-N 3.08Å; E257-Q259 VanDerWaalsContact C-N 3.3Å; E257-Q259 PolarHBondContact O-N 3.23Å; Q259-A261 PolarHBondContact O-N 3.39Å; Q259-F262 WeakPolarHBondContact O-CB 3.46Å; Q259-F262 PolarHBondContact O-N 3Å; Q259-V263 WeakPolarHBondContact O-CG2 3.47Å; Q259-V263 PolarHBondContact O-N 3.45Å; Q259-V304 HydrophobicContact CG-CG1 3.7Å; Q259-V304 HydrophobicContact CG-CG2 4.22Å
260F98.8Very high96.9Very high0 Ų020 Ų200%011%0.105CC..Hα-helixtrans-59.5-48.4176.9-174.2-80.3000110.7F82 I145 A150 L153 Q154 L209 F211 G256 E257 F262 V263 C264F82-F260 HydrophobicContact CD1-CE2 4.32Å; F82-F260 HydrophobicContact CD2-CD2 4.33Å; F82-F260 AromaticContact CD2-CE2 3.4Å; F82-F260 HydrophobicContact CD2-CE2 3.4Å; F82-F260 AromaticContact CD2-CZ 3.67Å; F82-F260 HydrophobicContact CD2-CZ 3.67Å; F82-F260 HydrophobicContact CE1-CD2 4.22Å; F82-F260 HydrophobicContact CE1-CE2 4.19Å; F82-F260 AromaticContact CE2-CD2 3.91Å; F82-F260 HydrophobicContact CE2-CD2 3.91Å; F82-F260 HydrophobicContact CE2-CE1 4.13Å; F82-F260 AromaticContact CE2-CE2 3.26Å; F82-F260 HydrophobicContact CE2-CE2 3.26Å; F82-F260 AromaticContact CE2-CZ 3.39Å; F82-F260 HydrophobicContact CE2-CZ 3.39Å; F82-F260 AromaticContact CG-CE2 3.94Å; F82-F260 HydrophobicContact CG-CE2 3.94Å; F82-F260 AromaticContact CZ-CD2 3.83Å; F82-F260 HydrophobicContact CZ-CD2 3.83Å; F82-F260 AromaticContact CZ-CE2 3.68Å; F82-F260 HydrophobicContact CZ-CE2 3.68Å; F82-F260 HydrophobicContact CZ-CG 4.41Å; F82-F260 HydrophobicContact CZ-CZ 4.14Å; I145-F260 HydrophobicContact CD1-CB 4.12Å; I145-F260 HydrophobicContact CG2-CD2 4.48Å; A150-F260 HydrophobicContact CB-CE2 4.46Å; L153-F260 HydrophobicContact CB-CD1 3.93Å; L153-F260 HydrophobicContact CB-CD2 4.12Å; L153-F260 HydrophobicContact CB-CE1 3.81Å; L153-F260 HydrophobicContact CB-CE2 4.02Å; L153-F260 HydrophobicContact CB-CG 4.07Å; L153-F260 HydrophobicContact CB-CZ 3.87Å; L153-F260 HydrophobicContact CD1-CB 3.67Å; L153-F260 HydrophobicContact CD1-CD1 4.09Å; L153-F260 HydrophobicContact CD1-CD2 4.09Å; L153-F260 HydrophobicContact CD1-CG 3.69Å; Q154-F260 HydrophobicContact CB-CZ 4.1Å; L209-F260 HydrophobicContact CD2-CE1 4.21Å; F211-F260 AromaticContact CE1-CD1 3.69Å; F211-F260 HydrophobicContact CE1-CD1 3.69Å; F211-F260 HydrophobicContact CE1-CE1 4.19Å; F211-F260 HydrophobicContact CZ-CD1 4.15Å; F211-F260 HydrophobicContact CZ-CE1 4.44Å; G256-F260 WeakPolarHBondContact O-CB 3.06Å; G256-F260 PolarHBondContact O-N 2.92Å; E257-F260 PolarHBondContact O-N 3.13Å; F260-F262 VanDerWaalsContact C-N 3.3Å; F260-F262 PolarHBondContact O-N 3.35Å; F260-V263 PolarHBondContact O-N 3.36Å; F260-C264 WeakPolarHBondContact CE1-SG 3.47Å; F260-C264 PolarHBondContact O-N 2.87Å; F260-C264 PolarHBondContact O-SG 3.43Å; F260-C264 VanDerWaalsContact O-SG 3.35Å
261A98.4Very high96.8Very high0 Ų022.8 Ų22.80%011%0.112CC..Hα-helixtrans-57.9-43.6176.300000111.8F211 E257 Q259 C264 F265 H276 W277F211-A261 HydrophobicContact CE1-CB 3.9Å; F211-A261 HydrophobicContact CZ-CB 3.82Å; E257-A261 WeakPolarHBondContact O-CB 3.47Å; E257-A261 PolarHBondContact O-N 3.37Å; Q259-A261 PolarHBondContact O-N 3.39Å; A261-C264 PolarHBondContact O-N 3.35Å; A261-F265 WeakPolarHBondContact O-CB 3.21Å; A261-F265 PolarHBondContact O-N 2.96Å; A261-H276 HydrophobicContact CB-CB 4.45Å; A261-W277 HydrophobicContact CB-CB 4.08Å
262F97.9Very high96.7Very high1 Ų124.2 Ų24.20%0.00412%0.116CC..Hα-helixtrans-63.2-40.9176-176.7-95.6000113.1L141 L258 Q259 F260 F265 L266 W277 Q308 V312L141-F262 HydrophobicContact CD2-CD1 4.24Å; L141-F262 HydrophobicContact CD2-CE1 3.8Å; L258-F262 WeakPolarHBondContact O-CB 3.3Å; L258-F262 PolarHBondContact O-N 3.45Å; L258-F262 VanDerWaalsContact O-N 3.1Å; Q259-F262 WeakPolarHBondContact O-CB 3.46Å; Q259-F262 PolarHBondContact O-N 3Å; F260-F262 VanDerWaalsContact C-N 3.3Å; F260-F262 PolarHBondContact O-N 3.35Å; F262-F265 HydrophobicContact CD2-CD1 4.24Å; F262-F265 HydrophobicContact CE2-CD1 4.49Å; F262-F265 HydrophobicContact CE2-CE1 4.46Å; F262-F265 PolarHBondContact O-N 2.97Å; F262-L266 HydrophobicContact CE1-CB 4.26Å; F262-L266 HydrophobicContact CE1-CD2 3.59Å; F262-L266 HydrophobicContact CZ-CB 4.36Å; F262-L266 HydrophobicContact CZ-CD2 3.6Å; F262-L266 WeakPolarHBondContact O-CB 3.32Å; F262-L266 PolarHBondContact O-N 3.45Å; F262-W277 HydrophobicContact CD2-CD2 4.27Å; F262-W277 AromaticContact CD2-CE2 3.81Å; F262-W277 HydrophobicContact CD2-CZ2 4.1Å; F262-W277 AromaticContact CD2-NE1 3.76Å; F262-W277 HydrophobicContact CE2-CZ2 4.27Å; F262-Q308 HydrophobicContact CB-CG 4.39Å; F262-Q308 HydrophobicContact CD1-CB 4.25Å; F262-Q308 HydrophobicContact CD1-CG 3.66Å; F262-Q308 HydrophobicContact CD2-CB 4.05Å; F262-Q308 HydrophobicContact CD2-CG 3.99Å; F262-Q308 HydrophobicContact CE1-CB 3.95Å; F262-Q308 HydrophobicContact CE1-CG 3.81Å; F262-Q308 HydrophobicContact CE2-CB 3.74Å; F262-Q308 HydrophobicContact CE2-CG 4.13Å; F262-Q308 HydrophobicContact CG-CB 4.29Å; F262-Q308 HydrophobicContact CG-CG 3.74Å; F262-Q308 HydrophobicContact CZ-CB 3.67Å; F262-Q308 HydrophobicContact CZ-CG 4.03Å; F262-Q308 WeakPolarHBondContact CZ-O 3.35Å; F262-V312 HydrophobicContact CE2-CG2 3.82Å; F262-V312 HydrophobicContact CZ-CG2 3.86Å
263V97.9Very high96.6Very high1 Ų120.7 Ų20.71%0.00610%0.098CC..Hα-helixtrans-66.8-45.4176.4171.60000111F60 F82 W138 T142 Q259 F260 F265 V267 G268F60-V263 HydrophobicContact CB-CG1 4.43Å; F60-V263 HydrophobicContact CD1-CG1 4.23Å; F60-V263 HydrophobicContact CG-CG1 4.31Å; F82-V263 HydrophobicContact CE1-CG1 3.9Å; F82-V263 HydrophobicContact CZ-CB 4.17Å; F82-V263 HydrophobicContact CZ-CG1 3.68Å; W138-V263 HydrophobicContact CH2-CG1 3.96Å; W138-V263 HydrophobicContact CH2-CG2 4.48Å; W138-V263 HydrophobicContact CZ3-CG1 3.86Å; W138-V263 HydrophobicContact CZ3-CG2 4.13Å; T142-V263 HydrophobicContact CG2-CG2 4.04Å; Q259-V263 WeakPolarHBondContact O-CG2 3.47Å; Q259-V263 PolarHBondContact O-N 3.45Å; F260-V263 PolarHBondContact O-N 3.36Å; V263-F265 VanDerWaalsContact C-N 3.26Å; V263-F265 PolarHBondContact O-N 2.88Å; V263-V267 HydrophobicContact CG1-CB 4.3Å; V263-V267 HydrophobicContact CG1-CG2 4.29Å; V263-V267 WeakPolarHBondContact O-CA 3.43Å; V263-V267 WeakPolarHBondContact O-CB 3.43Å; V263-V267 PolarHBondContact O-N 3.5Å; V263-G268 PolarHBondContact O-N 3.44Å; V263-G268 VanDerWaalsContact O-N 3.12Å
264C97.5Very high96.4Very high0 Ų020.2 Ų20.20%09%0.094CC..Hα-helixtrans-56.4-43.2174.3-71.40000111.4V160 F260 A261 G268 N269 V270V160-C264 HydrophobicContact CG1-CB 4.33Å; F260-C264 WeakPolarHBondContact CE1-SG 3.47Å; F260-C264 PolarHBondContact O-N 2.87Å; F260-C264 PolarHBondContact O-SG 3.43Å; F260-C264 VanDerWaalsContact O-SG 3.35Å; A261-C264 PolarHBondContact O-N 3.35Å; C264-G268 CarbonylContact O-C 3.42Å; C264-G268 WeakPolarHBondContact O-CA 3.4Å; C264-G268 PolarHBondContact O-N 2.89Å; C264-N269 PolarHBondContact O-N 3.39Å; C264-N269 VanDerWaalsContact O-N 3.15Å; C264-V270 HydrophobicContact CB-CB 4.33Å; C264-V270 HydrophobicContact CB-CG2 4.5Å; C264-V270 WeakPolarHBondContact O-CB 3.23Å; C264-V270 WeakPolarHBondContact O-CG2 3.4Å; C264-V270 PolarHBondContact O-N 3.05Å
265F94.9Very high96.2Very high22 Ų2222.9 Ų22.910%0.09611%0.107CC..Hα-helixtrans-64.8-63.5175.5157.8-124.9000112.3A261 F262 V263 N269 F274 F316A261-F265 WeakPolarHBondContact O-CB 3.21Å; A261-F265 PolarHBondContact O-N 2.96Å; F262-F265 HydrophobicContact CD2-CD1 4.24Å; F262-F265 HydrophobicContact CE2-CD1 4.49Å; F262-F265 HydrophobicContact CE2-CE1 4.46Å; F262-F265 PolarHBondContact O-N 2.97Å; V263-F265 VanDerWaalsContact C-N 3.26Å; V263-F265 PolarHBondContact O-N 2.88Å; F265-N269 VanDerWaalsContact O-CA 3.23Å; F265-N269 WeakPolarHBondContact O-CA 3.48Å; F265-N269 PolarHBondContact O-N 3.33Å; F265-N269 VanDerWaalsContact O-N 3.08Å; F265-F274 HydrophobicContact CB-CB 4.11Å; F265-F274 HydrophobicContact CD1-CD2 4.11Å; F265-F274 HydrophobicContact CD2-CB 3.58Å; F265-F274 AromaticContact CD2-CD2 3.97Å; F265-F274 HydrophobicContact CD2-CD2 3.97Å; F265-F274 HydrophobicContact CD2-CG 4.11Å; F265-F274 HydrophobicContact CE1-CD2 4.08Å; F265-F274 HydrophobicContact CE2-CB 4.28Å; F265-F274 AromaticContact CE2-CD2 3.95Å; F265-F274 HydrophobicContact CE2-CD2 3.95Å; F265-F274 HydrophobicContact CE2-CG 4.36Å; F265-F274 HydrophobicContact CG-CB 3.79Å; F265-F274 HydrophobicContact CG-CD2 4.09Å; F265-F274 HydrophobicContact CG-CG 4.42Å; F265-F274 HydrophobicContact CZ-CD2 4.05Å; F265-F316 AromaticContact CE1-CE1 3.97Å; F265-F316 HydrophobicContact CE1-CE1 3.97Å; F265-F316 HydrophobicContact CE1-CZ 4.29Å; F265-F316 HydrophobicContact CE2-CE1 4.04Å; F265-F316 HydrophobicContact CE2-CE2 4.24Å; F265-F316 AromaticContact CE2-CZ 3.5Å; F265-F316 HydrophobicContact CE2-CZ 3.5Å; F265-F316 HydrophobicContact CZ-CD1 4.21Å; F265-F316 AromaticContact CZ-CE1 3.22Å; F265-F316 HydrophobicContact CZ-CE1 3.22Å; F265-F316 HydrophobicContact CZ-CE2 4.06Å; F265-F316 AromaticContact CZ-CZ 3.17Å; F265-F316 HydrophobicContact CZ-CZ 3.17Å
266L93.6Very high96.2Very high45 Ų4523.9 Ų23.924%0.23611%0.111CC..Hα-helixtrans-76-39.2-166.3-175.169.2000112.7F262 E311F262-L266 HydrophobicContact CE1-CB 4.26Å; F262-L266 HydrophobicContact CE1-CD2 3.59Å; F262-L266 HydrophobicContact CZ-CB 4.36Å; F262-L266 HydrophobicContact CZ-CD2 3.6Å; F262-L266 WeakPolarHBondContact O-CB 3.32Å; F262-L266 PolarHBondContact O-N 3.45Å; L266-E311 HydrophobicContact CD2-CB 4.08Å
267V94.8Very high96.1Very high15 Ų1524 Ų249%0.09111%0.112CC..THydrogen-bonded Turntrans-95.7-43.6-177.1-172.80000110.5D38 F60 H62 K78 V263 N269D38-V267 VanDerWaalsContact O-CG1 3.31Å; D38-V267 WeakPolarHBondContact O-CG1 3.39Å; F60-V267 HydrophobicContact CD1-CB 4.17Å; F60-V267 HydrophobicContact CD1-CG1 3.7Å; F60-V267 HydrophobicContact CE1-CB 4.26Å; F60-V267 HydrophobicContact CE1-CG1 3.98Å; H62-V267 WeakPolarHBondContact NE2-CG1 3.45Å; K78-V267 WeakPolarHBondContact CD-O 3.26Å; K78-V267 PolarHBondContact NZ-O 3.13Å; V263-V267 HydrophobicContact CG1-CB 4.3Å; V263-V267 HydrophobicContact CG1-CG2 4.29Å; V263-V267 WeakPolarHBondContact O-CA 3.43Å; V263-V267 WeakPolarHBondContact O-CB 3.43Å; V263-V267 PolarHBondContact O-N 3.5Å; V267-N269 VanDerWaalsContact C-N 3.35Å
268G94.8Very high95.9Very high1 Ų126.3 Ų26.31%0.0112%0.122CC..THydrogen-bonded Turntrans-79.9-10.3-17900000114.9V263 C264 V270V263-G268 PolarHBondContact O-N 3.44Å; V263-G268 VanDerWaalsContact O-N 3.12Å; C264-G268 CarbonylContact O-C 3.42Å; C264-G268 WeakPolarHBondContact O-CA 3.4Å; C264-G268 PolarHBondContact O-N 2.89Å; G268-V270 WeakPolarHBondContact O-CG2 3.27Å; G268-V270 PolarHBondContact O-N 2.92Å
269N93.7Very high95.7Very high93 Ų9329 Ų2950%0.49714%0.14SC..  trans54.531.3-174.3-61.8-9.1000112.9A162 C264 F265 V267A162-N269 HydrophobicContact CB-CB 4.33Å; C264-N269 PolarHBondContact O-N 3.39Å; C264-N269 VanDerWaalsContact O-N 3.15Å; F265-N269 VanDerWaalsContact O-CA 3.23Å; F265-N269 WeakPolarHBondContact O-CA 3.48Å; F265-N269 PolarHBondContact O-N 3.33Å; F265-N269 VanDerWaalsContact O-N 3.08Å; V267-N269 VanDerWaalsContact C-N 3.35Å
270V94.7Very high95.7Very high9 Ų929 Ų296%0.05514%0.14CC..  trans-92.3113.4-177.8-171.80000110.3V160 C161 L209 C264 G268 E272 G273 F274V160-V270 HydrophobicContact CG1-CG2 3.56Å; C161-V270 WeakPolarHBondContact O-CG2 3.4Å; L209-V270 HydrophobicContact CD1-CG1 4.03Å; C264-V270 HydrophobicContact CB-CB 4.33Å; C264-V270 HydrophobicContact CB-CG2 4.5Å; C264-V270 WeakPolarHBondContact O-CB 3.23Å; C264-V270 WeakPolarHBondContact O-CG2 3.4Å; C264-V270 PolarHBondContact O-N 3.05Å; G268-V270 WeakPolarHBondContact O-CG2 3.27Å; G268-V270 PolarHBondContact O-N 2.92Å; V270-E272 VanDerWaalsContact C-N 3.32Å; V270-E272 HydrophobicContact CG1-CB 4.11Å; V270-E272 PolarHBondContact O-N 3.36Å; V270-G273 PolarHBondContact O-N 2.87Å; V270-G273 VanDerWaalsContact O-N 3.13Å; V270-F274 PolarHBondContact O-N 3.42Å
271Y92.6Very high95.6Very high156 Ų15629.1 Ų29.161%0.61214%0.141SC*.Hα-helixtrans-61.3-37.5-179.6-179.7-103.4000113.2G273 F274 E275Y271-G273 VanDerWaalsContact C-N 3.26Å; Y271-G273 PolarHBondContact O-N 3.07Å; Y271-F274 HydrophobicContact CD2-CD1 4.37Å; Y271-F274 HydrophobicContact CE2-CD1 4.1Å; Y271-F274 VanDerWaalsContact O-CB 3.31Å; Y271-F274 WeakPolarHBondContact O-CB 3.29Å; Y271-F274 PolarHBondContact O-N 2.99Å; Y271-E275 HydrophobicContact CD1-CG 4.19Å; Y271-E275 HydrophobicContact CE1-CG 3.53Å; Y271-E275 HydrophobicContact CE2-CG 4.25Å; Y271-E275 PolarHBondContact O-N 3.35Å; Y271-E275 PolarHBondContact OH-OE1 3.34Å
272E93.8Very high95.4Very high63 Ų6330.4 Ų30.429%0.29415%0.152SC..Hα-helixtrans-58.8-38.3175.3-173.7-178.3175.900112L209 F211 V270 F274 E275 H276L209-E272 HydrophobicContact CD1-CB 4.21Å; L209-E272 HydrophobicContact CD1-CG 4.2Å; F211-E272 HydrophobicContact CE2-CG 4.45Å; V270-E272 VanDerWaalsContact C-N 3.32Å; V270-E272 HydrophobicContact CG1-CB 4.11Å; V270-E272 PolarHBondContact O-N 3.36Å; E272-F274 VanDerWaalsContact C-N 3.26Å; E272-F274 PolarHBondContact O-N 3.13Å; E272-E275 PolarHBondContact O-N 3.44Å; E272-H276 WeakPolarHBondContact O-CB 3.43Å; E272-H276 PolarHBondContact O-N 2.9Å
273G96.1Very high95.4Very high0 Ų030.6 Ų30.60%015%0.153CC..Hα-helixtrans-62.1-33.8173.900000112.7V270 Y271 W277V270-G273 PolarHBondContact O-N 2.87Å; V270-G273 VanDerWaalsContact O-N 3.13Å; Y271-G273 VanDerWaalsContact C-N 3.26Å; Y271-G273 PolarHBondContact O-N 3.07Å; G273-W277 WeakPolarHBondContact O-CB 3.31Å; G273-W277 PolarHBondContact O-N 2.94Å
274F93.9Very high95.4Very high18 Ų1830.6 Ų30.68%0.07915%0.152CC..Hα-helixtrans-71.1-48.3177.5174.4-111.8000111.6F265 V270 Y271 E272 H276 W277 K278 F316 I320 F326F265-F274 HydrophobicContact CB-CB 4.11Å; F265-F274 HydrophobicContact CD1-CD2 4.11Å; F265-F274 HydrophobicContact CD2-CB 3.58Å; F265-F274 AromaticContact CD2-CD2 3.97Å; F265-F274 HydrophobicContact CD2-CD2 3.97Å; F265-F274 HydrophobicContact CD2-CG 4.11Å; F265-F274 HydrophobicContact CE1-CD2 4.08Å; F265-F274 HydrophobicContact CE2-CB 4.28Å; F265-F274 AromaticContact CE2-CD2 3.95Å; F265-F274 HydrophobicContact CE2-CD2 3.95Å; F265-F274 HydrophobicContact CE2-CG 4.36Å; F265-F274 HydrophobicContact CG-CB 3.79Å; F265-F274 HydrophobicContact CG-CD2 4.09Å; F265-F274 HydrophobicContact CG-CG 4.42Å; F265-F274 HydrophobicContact CZ-CD2 4.05Å; V270-F274 PolarHBondContact O-N 3.42Å; Y271-F274 HydrophobicContact CD2-CD1 4.37Å; Y271-F274 HydrophobicContact CE2-CD1 4.1Å; Y271-F274 VanDerWaalsContact O-CB 3.31Å; Y271-F274 WeakPolarHBondContact O-CB 3.29Å; Y271-F274 PolarHBondContact O-N 2.99Å; E272-F274 VanDerWaalsContact C-N 3.26Å; E272-F274 PolarHBondContact O-N 3.13Å; F274-H276 VanDerWaalsContact C-N 3.29Å; F274-H276 PolarHBondContact O-N 2.9Å; F274-W277 HydrophobicContact CD2-CE3 4.06Å; F274-W277 HydrophobicContact CD2-CZ3 4.31Å; F274-W277 HydrophobicContact CE2-CE3 4.24Å; F274-W277 HydrophobicContact CE2-CZ3 4.1Å; F274-W277 PolarHBondContact O-N 3.2Å; F274-K278 HydrophobicContact CD1-CD 3.77Å; F274-K278 HydrophobicContact CD2-CD 4.31Å; F274-K278 HydrophobicContact CE1-CD 3.34Å; F274-K278 HydrophobicContact CE1-CG 4.47Å; F274-K278 HydrophobicContact CE2-CD 3.92Å; F274-K278 HydrophobicContact CE2-CG 4.29Å; F274-K278 HydrophobicContact CG-CD 4.26Å; F274-K278 HydrophobicContact CZ-CD 3.44Å; F274-K278 VanDerWaalsContact CZ-CD 3.44Å; F274-K278 HydrophobicContact CZ-CG 4.28Å; F274-K278 WeakPolarHBondContact O-CB 3.31Å; F274-K278 WeakPolarHBondContact O-CG 3.37Å; F274-K278 PolarHBondContact O-N 3.19Å; F274-F316 HydrophobicContact CE2-CE1 4.24Å; F274-F316 HydrophobicContact CE2-CZ 4.32Å; F274-I320 HydrophobicContact CE2-CD1 4.34Å; F274-I320 HydrophobicContact CZ-CD1 4.36Å; F274-I320 HydrophobicContact CZ-CG1 4.37Å; F274-I320 HydrophobicContact CZ-CG2 4.14Å; F274-F326 HydrophobicContact CE2-CE1 4.26Å; F274-F326 HydrophobicContact CZ-CE1 4.12Å
275E93.9Very high95.4Very high57 Ų5730.6 Ų30.627%0.26615%0.152SC..Hα-helixtrans-62.5-38.9177.8-72.3-59.1119.500111.4Y271 E272 K278 C279Y271-E275 HydrophobicContact CD1-CG 4.19Å; Y271-E275 HydrophobicContact CE1-CG 3.53Å; Y271-E275 HydrophobicContact CE2-CG 4.25Å; Y271-E275 PolarHBondContact O-N 3.35Å; Y271-E275 PolarHBondContact OH-OE1 3.34Å; E272-E275 PolarHBondContact O-N 3.44Å; E275-K278 WeakPolarHBondContact O-CB 3.46Å; E275-K278 PolarHBondContact O-N 2.93Å; E275-K278 IonicContact OE1-NZ 3.23Å; E275-K278 PolarHBondContact OE1-NZ 3.32Å; E275-K278 IonicContact OE2-NZ 2.76Å; E275-C279 PolarHBondContact O-N 2.83Å; E275-C279 PolarHBondContact O-SG 2.93Å
276H97.3Very high95.4Very high20 Ų2033.6 Ų33.69%0.09316%0.163CC..Hα-helixtrans-68.6-44.4176.3-166.359.7000112.8F211 S212 E257 A261 E272 F274 K278 C279 L280F211-H276 AromaticContact CD1-CD2 3.33Å; F211-H276 WeakPolarHBondContact CD1-CD2 3.2Å; F211-H276 AromaticContact CD1-NE2 3.66Å; F211-H276 HydrophobicContact CD2-CB 3.75Å; F211-H276 AromaticContact CD2-CD2 3.67Å; F211-H276 AromaticContact CD2-CG 3.61Å; F211-H276 AromaticContact CE1-CD2 3.72Å; F211-H276 HydrophobicContact CE2-CB 3.75Å; F211-H276 HydrophobicContact CG-CB 4.31Å; F211-H276 AromaticContact CG-CD2 3.32Å; F211-H276 WeakPolarHBondContact CG-CD2 3.33Å; F211-H276 AromaticContact CG-CG 3.68Å; F211-H276 AromaticContact CG-NE2 3.59Å; F211-H276 HydrophobicContact CZ-CB 4.35Å; S212-H276 PolarHBondContact O-CE1 2.8Å; E257-H276 IonicContact OE1-CD2 3.94Å; E257-H276 IonicContact OE1-CE1 3Å; E257-H276 PolarHBondContact OE1-CE1 2.83Å; E257-H276 IonicContact OE1-NE2 3.74Å; E257-H276 PolarHBondContact OE1-NE2 2.62Å; A261-H276 HydrophobicContact CB-CB 4.45Å; E272-H276 WeakPolarHBondContact O-CB 3.43Å; E272-H276 PolarHBondContact O-N 2.9Å; F274-H276 VanDerWaalsContact C-N 3.29Å; F274-H276 PolarHBondContact O-N 2.9Å; H276-K278 VanDerWaalsContact C-N 3.28Å; H276-K278 PolarHBondContact O-N 3.13Å; H276-C279 PolarHBondContact O-N 3.06Å; H276-C279 VanDerWaalsContact O-N 3.13Å; H276-L280 WeakPolarHBondContact NE2-CD1 3.29Å; H276-L280 PolarHBondContact O-N 3.25Å
277W96.9Very high95.6Very high3 Ų331.5 Ų31.51%0.01115%0.152CC..Hα-helixtrans-55.9-43.6174174.774.3000111.6L258 A261 F262 G273 F274 L281 F326 L327L258-W277 HydrophobicContact CD1-CG 4.27Å; A261-W277 HydrophobicContact CB-CB 4.08Å; F262-W277 HydrophobicContact CD2-CD2 4.27Å; F262-W277 AromaticContact CD2-CE2 3.81Å; F262-W277 HydrophobicContact CD2-CZ2 4.1Å; F262-W277 AromaticContact CD2-NE1 3.76Å; F262-W277 HydrophobicContact CE2-CZ2 4.27Å; G273-W277 WeakPolarHBondContact O-CB 3.31Å; G273-W277 PolarHBondContact O-N 2.94Å; F274-W277 HydrophobicContact CD2-CE3 4.06Å; F274-W277 HydrophobicContact CD2-CZ3 4.31Å; F274-W277 HydrophobicContact CE2-CE3 4.24Å; F274-W277 HydrophobicContact CE2-CZ3 4.1Å; F274-W277 PolarHBondContact O-N 3.2Å; W277-L281 HydrophobicContact CZ2-CD2 4.45Å; W277-L281 VanDerWaalsContact O-CB 3.31Å; W277-L281 WeakPolarHBondContact O-CB 3.24Å; W277-L281 PolarHBondContact O-N 2.85Å; W277-F326 HydrophobicContact CE3-CZ 4.18Å; W277-F326 HydrophobicContact CH2-CZ 4.24Å; W277-F326 HydrophobicContact CZ3-CE1 4.46Å; W277-F326 HydrophobicContact CZ3-CE2 4.49Å; W277-F326 AromaticContact CZ3-CZ 3.61Å; W277-F326 HydrophobicContact CZ3-CZ 3.61Å; W277-L327 HydrophobicContact CH2-CD1 4.03Å; W277-L327 HydrophobicContact CH2-CD2 3.6Å; W277-L327 HydrophobicContact CH2-CG 4.34Å; W277-L327 HydrophobicContact CZ2-CD2 4.17Å; W277-L327 HydrophobicContact CZ3-CD2 4.2Å
278K94.1Very high95.6Very high49 Ų4933.2 Ų33.221%0.21316%0.159CC..Hα-helixtrans-57.8-50.2172.9-79.517258.4-168.70112.5F274 E275 H276 L281 A282 F326F274-K278 HydrophobicContact CD1-CD 3.77Å; F274-K278 HydrophobicContact CD2-CD 4.31Å; F274-K278 HydrophobicContact CE1-CD 3.34Å; F274-K278 HydrophobicContact CE1-CG 4.47Å; F274-K278 HydrophobicContact CE2-CD 3.92Å; F274-K278 HydrophobicContact CE2-CG 4.29Å; F274-K278 HydrophobicContact CG-CD 4.26Å; F274-K278 HydrophobicContact CZ-CD 3.44Å; F274-K278 VanDerWaalsContact CZ-CD 3.44Å; F274-K278 HydrophobicContact CZ-CG 4.28Å; F274-K278 WeakPolarHBondContact O-CB 3.31Å; F274-K278 WeakPolarHBondContact O-CG 3.37Å; F274-K278 PolarHBondContact O-N 3.19Å; E275-K278 WeakPolarHBondContact O-CB 3.46Å; E275-K278 PolarHBondContact O-N 2.93Å; E275-K278 IonicContact OE1-NZ 3.23Å; E275-K278 PolarHBondContact OE1-NZ 3.32Å; E275-K278 IonicContact OE2-NZ 2.76Å; H276-K278 VanDerWaalsContact C-N 3.28Å; H276-K278 PolarHBondContact O-N 3.13Å; K278-L281 PolarHBondContact O-N 3.3Å; K278-A282 WeakPolarHBondContact O-CB 3.5Å; K278-A282 PolarHBondContact O-N 3.14Å; K278-F326 HydrophobicContact CB-CE2 4.21Å; K278-F326 HydrophobicContact CB-CZ 4.46Å; K278-F326 HydrophobicContact CD-CD1 4.26Å; K278-F326 HydrophobicContact CD-CE1 3.9Å; K278-F326 HydrophobicContact CD-CE2 4.41Å; K278-F326 HydrophobicContact CD-CZ 4Å; K278-F326 HydrophobicContact CG-CD1 4.34Å; K278-F326 HydrophobicContact CG-CD2 4.08Å; K278-F326 HydrophobicContact CG-CE1 3.78Å; K278-F326 HydrophobicContact CG-CE2 3.51Å; K278-F326 HydrophobicContact CG-CG 4.47Å; K278-F326 HydrophobicContact CG-CZ 3.33Å
279C95.9Very high95.7Very high57 Ų5735.8 Ų35.839%0.38517%0.173SC..Hα-helixtrans-64-44-177.7-66.10000111.8I214 E275 H276 A282 L283I214-C279 HydrophobicContact CD1-CB 3.32Å; E275-C279 PolarHBondContact O-N 2.83Å; E275-C279 PolarHBondContact O-SG 2.93Å; H276-C279 PolarHBondContact O-N 3.06Å; H276-C279 VanDerWaalsContact O-N 3.13Å; C279-A282 PolarHBondContact O-N 3.44Å; C279-L283 WeakPolarHBondContact O-CB 3.47Å; C279-L283 PolarHBondContact O-N 2.78Å
280L97.9Very high95.8Very high0 Ų031.3 Ų31.30%015%0.149CC..Hα-helixtrans-63.3-41.5175.9-77.2-178.4000112.2I214 L254 E257 L258 H276 L283 L284I214-L280 HydrophobicContact CD1-CD2 3.89Å; I214-L280 HydrophobicContact CD1-CG 4.08Å; I214-L280 HydrophobicContact CG1-CD2 4.4Å; L254-L280 HydrophobicContact CD1-CD2 3.63Å; L254-L280 HydrophobicContact CG-CD2 4.47Å; E257-L280 HydrophobicContact CB-CD1 4.37Å; E257-L280 HydrophobicContact CG-CD1 4.02Å; L258-L280 HydrophobicContact CB-CD1 4.19Å; L258-L280 HydrophobicContact CD1-CB 3.72Å; L258-L280 HydrophobicContact CD1-CD1 4.3Å; H276-L280 WeakPolarHBondContact NE2-CD1 3.29Å; H276-L280 PolarHBondContact O-N 3.25Å; L280-L283 PolarHBondContact O-N 3.39Å; L280-L284 WeakPolarHBondContact O-CB 3.39Å; L280-L284 WeakPolarHBondContact O-CG 3.45Å; L280-L284 PolarHBondContact O-N 3.17Å
281L96.4Very high95.9Very high1 Ų131 Ų311%0.00515%0.147CC..Hα-helixtrans-63.6-46.5177.7-172.460.5000111.2W277 K278 L283 L284 C285 L305 F326 L327 T330W277-L281 HydrophobicContact CZ2-CD2 4.45Å; W277-L281 VanDerWaalsContact O-CB 3.31Å; W277-L281 WeakPolarHBondContact O-CB 3.24Å; W277-L281 PolarHBondContact O-N 2.85Å; K278-L281 PolarHBondContact O-N 3.3Å; L281-L283 VanDerWaalsContact C-N 3.33Å; L281-L283 PolarHBondContact O-N 2.64Å; L281-L284 PolarHBondContact O-N 3.07Å; L281-C285 WeakPolarHBondContact O-CB 3.33Å; L281-C285 PolarHBondContact O-N 2.68Å; L281-C285 PolarHBondContact O-SG 3.44Å; L281-C285 VanDerWaalsContact O-SG 3.35Å; L281-L305 HydrophobicContact CD1-CD1 3.74Å; L281-L305 HydrophobicContact CD1-CD2 3.68Å; L281-L305 HydrophobicContact CD1-CG 4.29Å; L281-L305 HydrophobicContact CD2-CD2 4.46Å; L281-F326 HydrophobicContact CD2-CE2 4.25Å; L281-L327 HydrophobicContact CD2-CD2 3.34Å; L281-T330 HydrophobicContact CD2-CG2 4.45Å; L281-T330 HydrophobicContact CG-CG2 3.91Å
282A95.3Very high96Very high28 Ų2828.6 Ų28.623%0.23114%0.137CC..Hα-helixtrans-59.3-43.7175.400000111.8K278 C279 R286K278-A282 WeakPolarHBondContact O-CB 3.5Å; K278-A282 PolarHBondContact O-N 3.14Å; C279-A282 PolarHBondContact O-N 3.44Å; A282-R286 VanDerWaalsContact O-CB 3.23Å; A282-R286 WeakPolarHBondContact O-CB 3.32Å; A282-R286 WeakPolarHBondContact O-CG 3.39Å; A282-R286 PolarHBondContact O-N 3.14Å
283L97.6Very high96.1Very high5 Ų532.2 Ų32.23%0.02615%0.151CC..Hα-helixtrans-59.5-50.4177.2-178.762.3000111.8I214 L235 L239 V242 C279 L280 L281 S287I214-L283 HydrophobicContact CG2-CD2 4.39Å; L235-L283 HydrophobicContact CB-CD1 3.97Å; L235-L283 HydrophobicContact CD1-CD1 4.37Å; L239-L283 HydrophobicContact CB-CD1 4.07Å; L239-L283 HydrophobicContact CB-CG 4.09Å; L239-L283 HydrophobicContact CD1-CD2 4.18Å; L239-L283 HydrophobicContact CD1-CG 4.2Å; V242-L283 HydrophobicContact CB-CD2 4.43Å; V242-L283 HydrophobicContact CG2-CD2 3.98Å; C279-L283 WeakPolarHBondContact O-CB 3.47Å; C279-L283 PolarHBondContact O-N 2.78Å; L280-L283 PolarHBondContact O-N 3.39Å; L281-L283 VanDerWaalsContact C-N 3.33Å; L281-L283 PolarHBondContact O-N 2.64Å; L283-S287 WeakPolarHBondContact O-CB 3.3Å; L283-S287 PolarHBondContact O-OG 2.84Å
284L97.9Very high96.1Very high0 Ų035.9 Ų35.90%017%0.165CC..Hα-helixtrans-66.2-48.8-178.7-75.4163.6000111.7L239 L254 L255 L258 L280 L281 R286 S287 L297 Y298 L301L239-L284 HydrophobicContact CD1-CD2 3.88Å; L239-L284 HydrophobicContact CD2-CD2 4.09Å; L254-L284 HydrophobicContact CD2-CD2 3.9Å; L254-L284 HydrophobicContact CD2-CG 4.43Å; L255-L284 HydrophobicContact CD2-CD1 4.49Å; L258-L284 HydrophobicContact CD2-CD1 4.27Å; L280-L284 WeakPolarHBondContact O-CB 3.39Å; L280-L284 WeakPolarHBondContact O-CG 3.45Å; L280-L284 PolarHBondContact O-N 3.17Å; L281-L284 PolarHBondContact O-N 3.07Å; L284-R286 VanDerWaalsContact C-N 3.32Å; L284-R286 PolarHBondContact O-N 3.04Å; L284-S287 PolarHBondContact O-N 2.87Å; L284-L297 HydrophobicContact CD2-CD2 3.98Å; L284-L297 HydrophobicContact CD2-CG 4.34Å; L284-Y298 VanDerWaalsContact O-CE1 3.22Å; L284-Y298 WeakPolarHBondContact O-CE1 3.1Å; L284-Y298 PolarHBondContact O-OH 2.78Å; L284-L301 HydrophobicContact CB-CD2 3.82Å; L284-L301 HydrophobicContact CD1-CD1 3.93Å; L284-L301 HydrophobicContact CD1-CD2 4.3Å
285C96.8Very high96.2Very high0 Ų037.9 Ų37.90%017%0.174CC..Hα-helixtrans-69.7-27.6-175.9-720000113.3L281 T330 F334 F337L281-C285 WeakPolarHBondContact O-CB 3.33Å; L281-C285 PolarHBondContact O-N 2.68Å; L281-C285 PolarHBondContact O-SG 3.44Å; L281-C285 VanDerWaalsContact O-SG 3.35Å; C285-T330 HydrophobicContact CB-CG2 3.43Å; C285-T330 VanDerWaalsContact CB-CG2 3.43Å; C285-T330 WeakPolarHBondContact CB-O 3.49Å; C285-F334 HydrophobicContact CB-CB 3.83Å; C285-F337 WeakPolarHBondContact O-CD2 3.44Å
286R95.4Very high96.3Very high86 Ų8640.8 Ų40.833%0.32519%0.188SC..THydrogen-bonded Turntrans-97.418179-60.1179.461.9-149.8-9.9114.4S232 L235 A282 L284 D333S232-R286 PolarHBondContact O-NH2 2.92Å; S232-R286 VanDerWaalsContact O-NH2 3.07Å; L235-R286 HydrophobicContact CB-CB 4.47Å; L235-R286 HydrophobicContact CD1-CB 3.87Å; L235-R286 HydrophobicContact CG-CB 3.96Å; L235-R286 PolarHBondContact N-O 3.23Å; A282-R286 VanDerWaalsContact O-CB 3.23Å; A282-R286 WeakPolarHBondContact O-CB 3.32Å; A282-R286 WeakPolarHBondContact O-CG 3.39Å; A282-R286 PolarHBondContact O-N 3.14Å; L284-R286 VanDerWaalsContact C-N 3.32Å; L284-R286 PolarHBondContact O-N 3.04Å; R286-D333 HydrophobicContact CG-CB 4.26Å; R286-D333 WeakPolarHBondContact CG-OD2 3.48Å; R286-D333 IonicContact NE-OD2 2.62Å
287S96.9Very high96.4Very high0 Ų040 Ų400%018%0.184CC..  trans-108.484.4178.6-67.40000111.2D234 L235 S236 L239 L283 L284 M291 Y298D234-S287 VanDerWaalsContact OD1-CA 3.3Å; D234-S287 WeakPolarHBondContact OD1-CA 3.45Å; L235-S287 PolarHBondContact O-OG 3.41Å; S236-S287 PolarHBondContact N-OG 3.42Å; S236-S287 VanDerWaalsContact OG-C 3.25Å; S236-S287 WeakPolarHBondContact OG-CA 3.39Å; S236-S287 WeakPolarHBondContact OG-CB 3.32Å; L239-S287 WeakPolarHBondContact CB-OG 3.32Å; L283-S287 WeakPolarHBondContact O-CB 3.3Å; L283-S287 PolarHBondContact O-OG 2.84Å; L284-S287 PolarHBondContact O-N 2.87Å; S287-M291 PolarHBondContact O-N 2.9Å; S287-Y298 WeakPolarHBondContact CB-OH 3.5Å; S287-Y298 PolarHBondContact O-OH 3.24Å; S287-Y298 VanDerWaalsContact O-OH 3.05Å
288E95.8Very high96.4Very high51 Ų5139.9 Ų39.924%0.23818%0.184CC..Hα-helixtrans-68.3-51.4-173.7-173.8-172.9177.900112.3D234 S236 A290 M291 R292 F337D234-E288 PolarHBondContact OD1-N 3.29Å; S236-E288 PolarHBondContact OG-N 2.99Å; E288-A290 VanDerWaalsContact C-N 3.32Å; E288-A290 PolarHBondContact O-N 2.88Å; E288-M291 VanDerWaalsContact O-CB 3.29Å; E288-M291 WeakPolarHBondContact O-CB 3.49Å; E288-M291 PolarHBondContact O-N 3.43Å; E288-M291 VanDerWaalsContact O-N 3.13Å; E288-R292 IonicContact OE1-CZ 3.47Å; E288-R292 IonicContact OE1-NH2 3.17Å; E288-R292 PolarHBondContact OE1-NH2 3.42Å; E288-F337 HydrophobicContact CB-CB 4.33Å; E288-F337 HydrophobicContact CB-CD1 3.9Å; E288-F337 HydrophobicContact CB-CD2 4.13Å; E288-F337 HydrophobicContact CB-CE1 4.26Å; E288-F337 HydrophobicContact CB-CE2 4.47Å; E288-F337 HydrophobicContact CB-CG 3.85Å; E288-F337 HydrophobicContact CG-CB 4.02Å; E288-F337 HydrophobicContact CG-CD1 3.72Å; E288-F337 HydrophobicContact CG-CE1 4.4Å; E288-F337 HydrophobicContact CG-CG 3.88Å
289D96.3Very high96.6Very high55 Ų5538.7 Ų38.729%0.29418%0.179SC..Hα-helixtrans-63.5-37.9-179.4-177.250.9000112.3D234 S236 M291 R292 K293D234-D289 WeakPolarHBondContact OD2-CB 3.41Å; D234-D289 PolarHBondContact OD2-N 3.5Å; D234-D289 VanDerWaalsContact OD2-N 3.11Å; S236-D289 PolarHBondContact OG-N 3.42Å; S236-D289 VanDerWaalsContact OG-N 3.12Å; D289-M291 VanDerWaalsContact C-N 3.26Å; D289-M291 PolarHBondContact O-N 2.92Å; D289-R292 WeakPolarHBondContact O-CB 3.37Å; D289-R292 PolarHBondContact O-N 2.86Å; D289-R292 VanDerWaalsContact O-N 3.16Å; D289-K293 PolarHBondContact O-N 3.05Å; D289-K293 WeakPolarHBondContact OD1-CE 3.39Å; D289-K293 IonicContact OD1-NZ 3.71Å; D289-K293 WeakPolarHBondContact OD2-CE 3.44Å; D289-K293 IonicContact OD2-NZ 2.75Å; D289-K293 PolarHBondContact OD2-NZ 3.31Å
290A96.7Very high96.8Very high0 Ų036.6 Ų36.60%017%0.168CC..Hα-helixtrans-61.6-35.3174.300000111.9S236 L239 E288 R292 K293 R294 Y298S236-A290 PolarHBondContact OG-N 3.01Å; L239-A290 HydrophobicContact CD2-CB 3.67Å; E288-A290 VanDerWaalsContact C-N 3.32Å; E288-A290 PolarHBondContact O-N 2.88Å; A290-R292 PolarHBondContact O-N 3.05Å; A290-K293 PolarHBondContact O-N 3.43Å; A290-K293 VanDerWaalsContact O-N 3.11Å; A290-R294 WeakPolarHBondContact O-CB 3.43Å; A290-R294 PolarHBondContact O-N 3.35Å; A290-Y298 HydrophobicContact CB-CE2 4.32Å
291M95.9Very high96.8Very high2 Ų236.6 Ų36.61%0.0117%0.168CC..Hα-helixtrans-60.9-33.4176.7-164.1-179.8-60.800113.2S287 E288 D289 Y298 F334 F337 A338 L347S287-M291 PolarHBondContact O-N 2.9Å; E288-M291 VanDerWaalsContact O-CB 3.29Å; E288-M291 WeakPolarHBondContact O-CB 3.49Å; E288-M291 PolarHBondContact O-N 3.43Å; E288-M291 VanDerWaalsContact O-N 3.13Å; D289-M291 VanDerWaalsContact C-N 3.26Å; D289-M291 PolarHBondContact O-N 2.92Å; M291-Y298 HydrophobicContact CB-CD2 4.12Å; M291-Y298 HydrophobicContact CB-CE1 4.29Å; M291-Y298 HydrophobicContact CB-CE2 3.9Å; M291-Y298 HydrophobicContact CB-CG 4.43Å; M291-Y298 HydrophobicContact CE-CD1 4.05Å; M291-Y298 HydrophobicContact CE-CE1 3.84Å; M291-Y298 HydrophobicContact CG-CD1 4.06Å; M291-Y298 HydrophobicContact CG-CD2 3.98Å; M291-Y298 HydrophobicContact CG-CE1 4.23Å; M291-Y298 HydrophobicContact CG-CE2 4.24Å; M291-Y298 HydrophobicContact CG-CG 3.87Å; M291-F334 HydrophobicContact CE-CD2 3.49Å; M291-F334 VanDerWaalsContact CE-CD2 3.49Å; M291-F334 HydrophobicContact CE-CE2 3.59Å; M291-F334 HydrophobicContact CE-CG 4.49Å; M291-F334 HydrophobicContact SD-CE2 4.37Å; M291-F337 HydrophobicContact CE-CB 3.88Å; M291-F337 HydrophobicContact SD-CB 4.31Å; M291-A338 HydrophobicContact CE-CB 4.49Å; M291-A338 WeakPolarHBondContact SD-CA 3.43Å; M291-A338 HydrophobicContact SD-CB 3.69Å; M291-A338 PolarHBondContact SD-N 2.98Å; M291-L347 HydrophobicContact CG-CD2 3.74Å; M291-L347 HydrophobicContact SD-CD2 4.42Å
292R95.5Very high96.9Very high105 Ų10536.8 Ų36.840%0.39617%0.169SC..Hα-helixtrans-74.4-34.3176.5-58.4173.6-174.9177.72111.8E288 D289 A290 P341 V343E288-R292 IonicContact OE1-CZ 3.47Å; E288-R292 IonicContact OE1-NH2 3.17Å; E288-R292 PolarHBondContact OE1-NH2 3.42Å; D289-R292 WeakPolarHBondContact O-CB 3.37Å; D289-R292 PolarHBondContact O-N 2.86Å; D289-R292 VanDerWaalsContact O-N 3.16Å; A290-R292 PolarHBondContact O-N 3.05Å; R292-P341 PolarHBondContact NE-O 3.22Å; R292-V343 HydrophobicContact CG-CG2 4.26Å
293K95.8Very high97Very high139 Ų13937.6 Ų37.660%0.60417%0.171SC*.Hα-helixtrans-88.5-33.1-174.8-67.2171.8178.2172.80113.5D289 A290D289-K293 PolarHBondContact O-N 3.05Å; D289-K293 WeakPolarHBondContact OD1-CE 3.39Å; D289-K293 IonicContact OD1-NZ 3.71Å; D289-K293 WeakPolarHBondContact OD2-CE 3.44Å; D289-K293 IonicContact OD2-NZ 2.75Å; D289-K293 PolarHBondContact OD2-NZ 3.31Å; A290-K293 PolarHBondContact O-N 3.43Å; A290-K293 VanDerWaalsContact O-N 3.11Å
294R95.9Very high97Very high78 Ų7837.4 Ų37.429%0.29417%0.17SC..  trans-118.353.8-169.2-56.9-150.9179.7-112.29.3112.5E240 A290 E296 L297 Y298E240-R294 IonicContact OE1-CZ 2.81Å; E240-R294 IonicContact OE1-NE 2.73Å; E240-R294 PolarHBondContact OE1-NE 2.92Å; E240-R294 IonicContact OE1-NH2 3.56Å; E240-R294 IonicContact OE2-CZ 2.81Å; E240-R294 VanDerWaalsContact OE2-CZ 3.31Å; E240-R294 IonicContact OE2-NE 3.27Å; E240-R294 PolarHBondContact OE2-NE 2.63Å; E240-R294 IonicContact OE2-NH2 3.55Å; E240-R294 PolarHBondContact OE2-NH2 3.35Å; A290-R294 WeakPolarHBondContact O-CB 3.43Å; A290-R294 PolarHBondContact O-N 3.35Å; R294-E296 VanDerWaalsContact C-N 3.29Å; R294-E296 PolarHBondContact O-N 2.68Å; R294-E296 VanDerWaalsContact O-N 3.14Å; R294-L297 HydrophobicContact CB-CB 4.08Å; R294-L297 HydrophobicContact CB-CD2 4.41Å; R294-L297 WeakPolarHBondContact O-CB 3.39Å; R294-L297 PolarHBondContact O-N 3Å; R294-Y298 WeakPolarHBondContact O-CD2 3.48Å; R294-Y298 PolarHBondContact O-N 3.42Å
295K95.8Very high97Very high59 Ų5937.4 Ų37.426%0.25717%0.17SC..Hα-helixtrans-43.5-49.7-179.3174.9-172.8174.2168.20114.1L297 Y298 L299 D344K295-L297 VanDerWaalsContact C-N 3.32Å; K295-L297 PolarHBondContact O-N 2.92Å; K295-Y298 PolarHBondContact O-N 2.99Å; K295-L299 HydrophobicContact CD-CD1 4.38Å; K295-L299 HydrophobicContact CG-CD1 3.91Å; K295-L299 HydrophobicContact CG-CG 4.27Å; K295-L299 WeakPolarHBondContact O-CG 3.33Å; K295-L299 PolarHBondContact O-N 2.47Å; K295-D344 HydrophobicContact CD-CB 3.9Å; K295-D344 VanDerWaalsContact CD-CG 3.47Å; K295-D344 WeakPolarHBondContact CE-OD1 3.45Å; K295-D344 WeakPolarHBondContact CE-OD2 3.41Å; K295-D344 HydrophobicContact CG-CB 4.18Å; K295-D344 IonicContact NZ-OD1 3.37Å; K295-D344 PolarHBondContact NZ-OD1 3.41Å; K295-D344 IonicContact NZ-OD2 2.64Å; K295-D344 PolarHBondContact NZ-OD2 2.9Å
296E97.3Very high97Very high119 Ų11942.6 Ų42.656%0.55619%0.19SC*.Hα-helixtrans-64.6-36.2-175.2-61.4-52.7136.600112.4R294 Y298 L299 G300R294-E296 VanDerWaalsContact C-N 3.29Å; R294-E296 PolarHBondContact O-N 2.68Å; R294-E296 VanDerWaalsContact O-N 3.14Å; E296-Y298 VanDerWaalsContact C-N 3.32Å; E296-Y298 PolarHBondContact O-N 3.47Å; E296-L299 PolarHBondContact O-N 3.25Å; E296-G300 PolarHBondContact O-N 3.15Å
297L98Very high97.1Very high4 Ų441.1 Ų41.12%0.02119%0.187CC..Hα-helixtrans-59.8-44.3175.5-177.765.7000110.9L243 L252 L255 L284 R294 K295 G300 L301L243-L297 HydrophobicContact CD1-CD2 4.36Å; L252-L297 HydrophobicContact CD2-CB 4.42Å; L252-L297 HydrophobicContact CD2-CD1 4.18Å; L255-L297 HydrophobicContact CD1-CD1 4.13Å; L255-L297 HydrophobicContact CD2-CD1 3.83Å; L255-L297 HydrophobicContact CG-CD1 3.7Å; L284-L297 HydrophobicContact CD2-CD2 3.98Å; L284-L297 HydrophobicContact CD2-CG 4.34Å; R294-L297 HydrophobicContact CB-CB 4.08Å; R294-L297 HydrophobicContact CB-CD2 4.41Å; R294-L297 WeakPolarHBondContact O-CB 3.39Å; R294-L297 PolarHBondContact O-N 3Å; K295-L297 VanDerWaalsContact C-N 3.32Å; K295-L297 PolarHBondContact O-N 2.92Å; L297-G300 PolarHBondContact O-N 3Å; L297-L301 WeakPolarHBondContact O-CB 3.4Å; L297-L301 PolarHBondContact O-N 3.36Å
298Y98.3Very high97Very high0 Ų041.1 Ų41.10%019%0.187CC..Hα-helixtrans-78.8-31.3-178.4-73.9-81.7000113.7L284 S287 A290 M291 R294 K295 E296 G300 L301 I302 F334 L347L284-Y298 VanDerWaalsContact O-CE1 3.22Å; L284-Y298 WeakPolarHBondContact O-CE1 3.1Å; L284-Y298 PolarHBondContact O-OH 2.78Å; S287-Y298 WeakPolarHBondContact CB-OH 3.5Å; S287-Y298 PolarHBondContact O-OH 3.24Å; S287-Y298 VanDerWaalsContact O-OH 3.05Å; A290-Y298 HydrophobicContact CB-CE2 4.32Å; M291-Y298 HydrophobicContact CB-CD2 4.12Å; M291-Y298 HydrophobicContact CB-CE1 4.29Å; M291-Y298 HydrophobicContact CB-CE2 3.9Å; M291-Y298 HydrophobicContact CB-CG 4.43Å; M291-Y298 HydrophobicContact CE-CD1 4.05Å; M291-Y298 HydrophobicContact CE-CE1 3.84Å; M291-Y298 HydrophobicContact CG-CD1 4.06Å; M291-Y298 HydrophobicContact CG-CD2 3.98Å; M291-Y298 HydrophobicContact CG-CE1 4.23Å; M291-Y298 HydrophobicContact CG-CE2 4.24Å; M291-Y298 HydrophobicContact CG-CG 3.87Å; R294-Y298 WeakPolarHBondContact O-CD2 3.48Å; R294-Y298 PolarHBondContact O-N 3.42Å; K295-Y298 PolarHBondContact O-N 2.99Å; E296-Y298 VanDerWaalsContact C-N 3.32Å; E296-Y298 PolarHBondContact O-N 3.47Å; Y298-G300 VanDerWaalsContact C-N 3.29Å; Y298-L301 HydrophobicContact CD1-CD2 3.98Å; Y298-L301 HydrophobicContact CE1-CD2 4.25Å; Y298-L301 PolarHBondContact O-N 2.73Å; Y298-I302 WeakPolarHBondContact O-CG1 3.4Å; Y298-I302 PolarHBondContact O-N 3.3Å; Y298-I302 VanDerWaalsContact O-N 3.08Å; Y298-F334 HydrophobicContact CD1-CD2 4.43Å; Y298-F334 AromaticContact CD1-CE2 3.76Å; Y298-F334 HydrophobicContact CD1-CE2 3.76Å; Y298-F334 HydrophobicContact CE1-CE2 4.32Å; Y298-L347 HydrophobicContact CG-CD2 4.49Å
299L98.2Very high96.8Very high23 Ų2338.7 Ų38.712%0.1218%0.176CC..Hα-helixtrans-62.4-40.5168.1-74.5177.6000111.1K295 E296 T303 L347 K350K295-L299 HydrophobicContact CD-CD1 4.38Å; K295-L299 HydrophobicContact CG-CD1 3.91Å; K295-L299 HydrophobicContact CG-CG 4.27Å; K295-L299 WeakPolarHBondContact O-CG 3.33Å; K295-L299 PolarHBondContact O-N 2.47Å; E296-L299 PolarHBondContact O-N 3.25Å; L299-T303 PolarHBondContact O-N 3.16Å; L299-T303 PolarHBondContact O-OG1 3.23Å; L299-L347 HydrophobicContact CD2-CB 4.21Å; L299-L347 HydrophobicContact CD2-CD1 3.95Å; L299-L347 HydrophobicContact CG-CD1 4.27Å; L299-K350 HydrophobicContact CD2-CB 4.25Å; L299-K350 HydrophobicContact CD2-CD 3.63Å; L299-K350 PolarHBondContact O-NZ 3.35Å
300G98.2Very high96.5Very high14 Ų1437.5 Ų37.514%0.14418%0.176CC..Hα-helixtrans-63.7-47.5172.600000112E296 L297 Y298 I302 T303 V304E296-G300 PolarHBondContact O-N 3.15Å; L297-G300 PolarHBondContact O-N 3Å; Y298-G300 VanDerWaalsContact C-N 3.29Å; G300-I302 VanDerWaalsContact C-N 3.33Å; G300-I302 PolarHBondContact O-N 3.2Å; G300-T303 WeakPolarHBondContact O-CA 3.35Å; G300-T303 VanDerWaalsContact O-CB 3.32Å; G300-T303 WeakPolarHBondContact O-CB 3.3Å; G300-T303 PolarHBondContact O-N 3.41Å; G300-V304 WeakPolarHBondContact O-CG2 3.29Å; G300-V304 PolarHBondContact O-N 3.37Å
301L98.6Very high96.2Very high0 Ų040.5 Ų40.50%019%0.19CC..Hα-helixtrans-54.3-46.3177.8-178.959.8000112.4L255 L258 L284 L297 Y298 T303 V304 L305 F334L255-L301 HydrophobicContact CD2-CB 4.02Å; L255-L301 HydrophobicContact CD2-CD1 4.18Å; L258-L301 HydrophobicContact CD2-CD1 3.53Å; L284-L301 HydrophobicContact CB-CD2 3.82Å; L284-L301 HydrophobicContact CD1-CD1 3.93Å; L284-L301 HydrophobicContact CD1-CD2 4.3Å; L297-L301 WeakPolarHBondContact O-CB 3.4Å; L297-L301 PolarHBondContact O-N 3.36Å; Y298-L301 HydrophobicContact CD1-CD2 3.98Å; Y298-L301 HydrophobicContact CE1-CD2 4.25Å; Y298-L301 PolarHBondContact O-N 2.73Å; L301-T303 VanDerWaalsContact C-N 3.28Å; L301-T303 PolarHBondContact O-N 2.79Å; L301-V304 PolarHBondContact O-N 3.47Å; L301-L305 HydrophobicContact CD1-CD1 3.8Å; L301-L305 HydrophobicContact CD1-CD2 4.46Å; L301-L305 HydrophobicContact CD1-CG 3.88Å; L301-L305 HydrophobicContact CD2-CD1 4.48Å; L301-L305 HydrophobicContact CG-CD1 3.8Å; L301-L305 HydrophobicContact CG-CG 4.29Å; L301-L305 WeakPolarHBondContact O-CB 3.35Å; L301-L305 WeakPolarHBondContact O-CG 3.39Å; L301-L305 PolarHBondContact O-N 2.89Å; L301-F334 HydrophobicContact CD2-CE2 4.44Å
302I98.4Very high95.7Very high5 Ų540.8 Ų40.83%0.02619%0.192CC..Hα-helixtrans-59.5-41.2176.5-66.1165.7000111Y298 G300 Y306 F334 L347 K350 A351 F354Y298-I302 WeakPolarHBondContact O-CG1 3.4Å; Y298-I302 PolarHBondContact O-N 3.3Å; Y298-I302 VanDerWaalsContact O-N 3.08Å; G300-I302 VanDerWaalsContact C-N 3.33Å; G300-I302 PolarHBondContact O-N 3.2Å; I302-Y306 VanDerWaalsContact O-CB 3.23Å; I302-Y306 WeakPolarHBondContact O-CB 3.34Å; I302-Y306 PolarHBondContact O-N 2.82Å; I302-F334 HydrophobicContact CD1-CE1 4.41Å; I302-F334 HydrophobicContact CD1-CZ 3.97Å; I302-F334 HydrophobicContact CG1-CE1 4.08Å; I302-F334 HydrophobicContact CG1-CZ 3.71Å; I302-L347 HydrophobicContact CD1-CD1 3.65Å; I302-K350 HydrophobicContact CB-CD 4.33Å; I302-K350 HydrophobicContact CD1-CB 4.07Å; I302-K350 HydrophobicContact CD1-CD 4.19Å; I302-K350 HydrophobicContact CD1-CG 4.06Å; I302-K350 HydrophobicContact CG2-CD 4.17Å; I302-K350 HydrophobicContact CG2-CG 4.02Å; I302-A351 HydrophobicContact CD1-CB 4.12Å; I302-F354 HydrophobicContact CG1-CD1 4.35Å; I302-F354 HydrophobicContact CG2-CB 3.76Å; I302-F354 HydrophobicContact CG2-CD1 3.87Å; I302-F354 HydrophobicContact CG2-CD2 4.29Å; I302-F354 HydrophobicContact CG2-CG 3.72Å
303T98.1Very high94.9Very high44 Ų4438.4 Ų38.427%0.2719%0.19SC..Hα-helixtrans-64.2-45.9177.3-55.50000111.1L299 G300 L301 Y306 H307 K350L299-T303 PolarHBondContact O-N 3.16Å; L299-T303 PolarHBondContact O-OG1 3.23Å; G300-T303 WeakPolarHBondContact O-CA 3.35Å; G300-T303 VanDerWaalsContact O-CB 3.32Å; G300-T303 WeakPolarHBondContact O-CB 3.3Å; G300-T303 PolarHBondContact O-N 3.41Å; L301-T303 VanDerWaalsContact C-N 3.28Å; L301-T303 PolarHBondContact O-N 2.79Å; T303-Y306 PolarHBondContact O-N 3.41Å; T303-H307 PolarHBondContact O-N 2.84Å; T303-H307 PolarHBondContact O-ND1 3.24Å; T303-K350 PolarHBondContact OG1-NZ 2.92Å
304V98.4Very high93.8Very high1 Ų136.2 Ų36.21%0.00619%0.19CC..Hα-helixtrans-59.8-51.8178.8170.50000110.4Q144 L255 L258 Q259 G300 L301 Y306 H307 Q308Q144-V304 HydrophobicContact CG-CG2 4Å; L255-V304 HydrophobicContact CB-CG2 4.33Å; L258-V304 HydrophobicContact CD2-CG1 4.03Å; Q259-V304 HydrophobicContact CG-CG1 3.7Å; Q259-V304 HydrophobicContact CG-CG2 4.22Å; G300-V304 WeakPolarHBondContact O-CG2 3.29Å; G300-V304 PolarHBondContact O-N 3.37Å; L301-V304 PolarHBondContact O-N 3.47Å; V304-Y306 VanDerWaalsContact C-N 3.32Å; V304-Y306 PolarHBondContact O-N 3.23Å; V304-H307 PolarHBondContact O-N 2.92Å; V304-Q308 HydrophobicContact CG1-CG 4.11Å; V304-Q308 WeakPolarHBondContact O-CB 3.41Å; V304-Q308 WeakPolarHBondContact O-CG 3.38Å; V304-Q308 PolarHBondContact O-N 3.28Å
305L97.1Very high92.6Very high1 Ų137.5 Ų37.51%0.00520%0.203CC..Hα-helixtrans-65.3-35.2-178.5-66.6173.9000112.8L281 L301 H307 Q308 L309 L331 F354L281-L305 HydrophobicContact CD1-CD1 3.74Å; L281-L305 HydrophobicContact CD1-CD2 3.68Å; L281-L305 HydrophobicContact CD1-CG 4.29Å; L281-L305 HydrophobicContact CD2-CD2 4.46Å; L301-L305 HydrophobicContact CD1-CD1 3.8Å; L301-L305 HydrophobicContact CD1-CD2 4.46Å; L301-L305 HydrophobicContact CD1-CG 3.88Å; L301-L305 HydrophobicContact CD2-CD1 4.48Å; L301-L305 HydrophobicContact CG-CD1 3.8Å; L301-L305 HydrophobicContact CG-CG 4.29Å; L301-L305 WeakPolarHBondContact O-CB 3.35Å; L301-L305 WeakPolarHBondContact O-CG 3.39Å; L301-L305 PolarHBondContact O-N 2.89Å; L305-H307 VanDerWaalsContact C-N 3.32Å; L305-H307 PolarHBondContact O-N 3.41Å; L305-Q308 PolarHBondContact O-N 3.24Å; L305-L309 VanDerWaalsContact O-CB 3.3Å; L305-L309 WeakPolarHBondContact O-CB 3.22Å; L305-L309 VanDerWaalsContact O-CG 3.27Å; L305-L309 WeakPolarHBondContact O-CG 3.43Å; L305-L309 PolarHBondContact O-N 3.27Å; L305-L331 HydrophobicContact CD1-CD2 4.05Å; L305-F354 HydrophobicContact CB-CE1 4.02Å; L305-F354 HydrophobicContact CB-CZ 3.64Å; L305-F354 HydrophobicContact CD1-CE1 4.32Å
306Y96.7Very high91.3Very high109 Ų10937.8 Ų37.843%0.42720%0.204SC..Hα-helixtrans-57.7-45.2175176.3-93.7000111.9I302 T303 V304 G310 F354 H357I302-Y306 VanDerWaalsContact O-CB 3.23Å; I302-Y306 WeakPolarHBondContact O-CB 3.34Å; I302-Y306 PolarHBondContact O-N 2.82Å; T303-Y306 PolarHBondContact O-N 3.41Å; V304-Y306 VanDerWaalsContact C-N 3.32Å; V304-Y306 PolarHBondContact O-N 3.23Å; Y306-G310 PolarHBondContact O-N 3.15Å; Y306-F354 HydrophobicContact CD2-CD2 4.32Å; Y306-F354 HydrophobicContact CD2-CE2 4.35Å; Y306-H357 AromaticContact CD2-CD2 3.94Å; Y306-H357 AromaticContact CE2-CD2 3.75Å; Y306-H357 AromaticContact CE2-CE1 3.75Å; Y306-H357 AromaticContact CE2-NE2 3.59Å
307H96.5Very high89.9Confident54 Ų5432.7 Ų32.725%0.2518%0.18CC..Hα-helixtrans-74.1-44.7177.4-60.5119000111.9L141 T303 V304 L305 G310 E311L141-H307 HydrophobicContact CD2-CB 4.46Å; T303-H307 PolarHBondContact O-N 2.84Å; T303-H307 PolarHBondContact O-ND1 3.24Å; V304-H307 PolarHBondContact O-N 2.92Å; L305-H307 VanDerWaalsContact C-N 3.32Å; L305-H307 PolarHBondContact O-N 3.41Å; H307-G310 VanDerWaalsContact O-CA 3.25Å; H307-G310 WeakPolarHBondContact O-CA 3.4Å; H307-G310 PolarHBondContact O-N 2.88Å; H307-E311 WeakPolarHBondContact O-CG 3.23Å
308Q95.4Very high88.2Confident0 Ų037.2 Ų37.20%021%0.208CC..Hα-helixtrans-60.2-53.3-179.1-73.1-177.4-13.600112.5L141 F262 V304 L305 G310 E311 V312L141-Q308 HydrophobicContact CD2-CG 4.17Å; F262-Q308 HydrophobicContact CB-CG 4.39Å; F262-Q308 HydrophobicContact CD1-CB 4.25Å; F262-Q308 HydrophobicContact CD1-CG 3.66Å; F262-Q308 HydrophobicContact CD2-CB 4.05Å; F262-Q308 HydrophobicContact CD2-CG 3.99Å; F262-Q308 HydrophobicContact CE1-CB 3.95Å; F262-Q308 HydrophobicContact CE1-CG 3.81Å; F262-Q308 HydrophobicContact CE2-CB 3.74Å; F262-Q308 HydrophobicContact CE2-CG 4.13Å; F262-Q308 HydrophobicContact CG-CB 4.29Å; F262-Q308 HydrophobicContact CG-CG 3.74Å; F262-Q308 HydrophobicContact CZ-CB 3.67Å; F262-Q308 HydrophobicContact CZ-CG 4.03Å; F262-Q308 WeakPolarHBondContact CZ-O 3.35Å; V304-Q308 HydrophobicContact CG1-CG 4.11Å; V304-Q308 WeakPolarHBondContact O-CB 3.41Å; V304-Q308 WeakPolarHBondContact O-CG 3.38Å; V304-Q308 PolarHBondContact O-N 3.28Å; L305-Q308 PolarHBondContact O-N 3.24Å; Q308-G310 PolarHBondContact O-N 3.33Å; Q308-G310 VanDerWaalsContact O-N 3.17Å; Q308-E311 PolarHBondContact O-N 3.42Å; Q308-V312 PolarHBondContact O-N 3.25Å
309L92.3Very high86Confident1 Ų143.3 Ų43.31%0.00524%0.24CC..Hα-helixtrans-65.7-19.2176.5-58.9178.2000111.6L305 E311 F317 L327 L331 F354 L358 F362L305-L309 VanDerWaalsContact O-CB 3.3Å; L305-L309 WeakPolarHBondContact O-CB 3.22Å; L305-L309 VanDerWaalsContact O-CG 3.27Å; L305-L309 WeakPolarHBondContact O-CG 3.43Å; L305-L309 PolarHBondContact O-N 3.27Å; L309-E311 PolarHBondContact O-N 3.36Å; L309-F317 HydrophobicContact CD2-CE1 4.14Å; L309-F317 HydrophobicContact CD2-CZ 4.02Å; L309-L327 HydrophobicContact CD2-CD1 4.2Å; L309-L331 HydrophobicContact CD1-CD1 4.16Å; L309-F354 HydrophobicContact CD1-CZ 4.14Å; L309-L358 HydrophobicContact CB-CD2 4.5Å; L309-L358 HydrophobicContact CD1-CD1 4.04Å; L309-L358 HydrophobicContact CD1-CD2 3.74Å; L309-F362 HydrophobicContact CB-CE2 4.35Å; L309-F362 HydrophobicContact CB-CZ 4.46Å; L309-F362 WeakPolarHBondContact O-CZ 3.27Å
310G90.6Very high83.8Confident29 Ų2944 Ų4430%0.29924%0.244SC..Hα-helixtrans-50.3-41.3166.100000113.6Y306 H307 Q308 K361Y306-G310 PolarHBondContact O-N 3.15Å; H307-G310 VanDerWaalsContact O-CA 3.25Å; H307-G310 WeakPolarHBondContact O-CA 3.4Å; H307-G310 PolarHBondContact O-N 2.88Å; Q308-G310 PolarHBondContact O-N 3.33Å; Q308-G310 VanDerWaalsContact O-N 3.17Å; G310-K361 PolarHBondContact O-NZ 3.19Å
311E89.9Confident81.2Confident63 Ų6345.6 Ų45.629%0.29425%0.25SS..Hα-helixtrans-106-11-162.3-58.2-55158.700114.9K137 L141 L266 H307 Q308 L309K137-E311 VanDerWaalsContact CD-CD 3.45Å; K137-E311 HydrophobicContact CD-CG 4.23Å; K137-E311 VanDerWaalsContact CD-OE2 3.25Å; K137-E311 WeakPolarHBondContact CD-OE2 3.33Å; K137-E311 WeakPolarHBondContact CE-OE2 3.21Å; K137-E311 HydrophobicContact CG-CG 4.27Å; K137-E311 IonicContact NZ-OE2 3.28Å; K137-E311 PolarHBondContact NZ-OE2 3.3Å; L141-E311 HydrophobicContact CD1-CG 4.25Å; L141-E311 HydrophobicContact CD2-CG 4.16Å; L266-E311 HydrophobicContact CD2-CB 4.08Å; H307-E311 WeakPolarHBondContact O-CG 3.23Å; Q308-E311 PolarHBondContact O-N 3.42Å; L309-E311 PolarHBondContact O-N 3.36Å
312V84.1Confident78.9Confident8 Ų851 Ų515%0.04829%0.289CS..SBendtrans-75.8127.5176.7178.90000109.4F262 Q308 F316 F317F262-V312 HydrophobicContact CE2-CG2 3.82Å; F262-V312 HydrophobicContact CZ-CG2 3.86Å; Q308-V312 PolarHBondContact O-N 3.25Å; V312-F316 HydrophobicContact CG1-CB 3.83Å; V312-F316 HydrophobicContact CG1-CD1 3.44Å; V312-F316 VanDerWaalsContact CG1-CD1 3.44Å; V312-F316 HydrophobicContact CG1-CE1 4.42Å; V312-F316 HydrophobicContact CG1-CG 4.02Å; V312-F317 HydrophobicContact CB-CE1 4Å; V312-F317 HydrophobicContact CB-CE2 3.83Å; V312-F317 HydrophobicContact CB-CZ 3.38Å; V312-F317 HydrophobicContact CG1-CD1 4.09Å; V312-F317 HydrophobicContact CG1-CD2 4.25Å; V312-F317 HydrophobicContact CG1-CE1 3.52Å; V312-F317 HydrophobicContact CG1-CE2 3.7Å; V312-F317 HydrophobicContact CG1-CG 4.44Å; V312-F317 HydrophobicContact CG1-CZ 3.33Å; V312-F317 HydrophobicContact CG2-CE1 4.46Å; V312-F317 HydrophobicContact CG2-CZ 4.11Å
313P79.6Confident76.6Confident56 Ų5658.4 Ų58.436%0.36432%0.323SS..  trans-57.5138.7176.1-24.634.3000111.9D315 F316P313-D315 VanDerWaalsContact CB-OD1 3.22Å; P313-D315 WeakPolarHBondContact CB-OD1 3.42Å; P313-D315 PolarHBondContact O-N 3.4Å; P313-F316 HydrophobicContact CB-CB 4.32Å; P313-F316 VanDerWaalsContact O-CB 3.23Å; P313-F316 WeakPolarHBondContact O-CB 3.48Å; P313-F316 PolarHBondContact O-N 3.02Å
314P72.5Confident74.7Confident93 Ų9361.5 Ų61.560%0.60435%0.347SS*.THydrogen-bonded Turntrans-55.8-37-179.1-26.435.1000114F316 F317P314-F316 VanDerWaalsContact C-N 3.32Å; P314-F317 WeakPolarHBondContact O-CB 3.43Å; P314-F317 PolarHBondContact O-N 3.14Å
315D69.8Low73.4Confident105 Ų10562.3 Ų62.356%0.56135%0.351SS*.THydrogen-bonded Turntrans-64.3-31.3176.137.7-40.1000112.9P313 F317 V318 D319P313-D315 VanDerWaalsContact CB-OD1 3.22Å; P313-D315 WeakPolarHBondContact CB-OD1 3.42Å; P313-D315 PolarHBondContact O-N 3.4Å; D315-F317 VanDerWaalsContact C-N 3.26Å; D315-F317 PolarHBondContact O-N 3.41Å; D315-V318 WeakPolarHBondContact O-CB 3.49Å; D315-V318 PolarHBondContact O-N 3.41Å; D315-D319 PolarHBondContact O-N 3.2Å; D315-D319 VanDerWaalsContact O-N 3.12Å
316F70.3Confident72.7Confident65 Ų6563.8 Ų63.829%0.28536%0.357SS..Hα-helixtrans-62.5-36.3172.5-167.1-106.9000111.2F265 F274 V312 P313 P314 V318 D319 I320F265-F316 AromaticContact CE1-CE1 3.97Å; F265-F316 HydrophobicContact CE1-CE1 3.97Å; F265-F316 HydrophobicContact CE1-CZ 4.29Å; F265-F316 HydrophobicContact CE2-CE1 4.04Å; F265-F316 HydrophobicContact CE2-CE2 4.24Å; F265-F316 AromaticContact CE2-CZ 3.5Å; F265-F316 HydrophobicContact CE2-CZ 3.5Å; F265-F316 HydrophobicContact CZ-CD1 4.21Å; F265-F316 AromaticContact CZ-CE1 3.22Å; F265-F316 HydrophobicContact CZ-CE1 3.22Å; F265-F316 HydrophobicContact CZ-CE2 4.06Å; F265-F316 AromaticContact CZ-CZ 3.17Å; F265-F316 HydrophobicContact CZ-CZ 3.17Å; F274-F316 HydrophobicContact CE2-CE1 4.24Å; F274-F316 HydrophobicContact CE2-CZ 4.32Å; V312-F316 HydrophobicContact CG1-CB 3.83Å; V312-F316 HydrophobicContact CG1-CD1 3.44Å; V312-F316 VanDerWaalsContact CG1-CD1 3.44Å; V312-F316 HydrophobicContact CG1-CE1 4.42Å; V312-F316 HydrophobicContact CG1-CG 4.02Å; P313-F316 HydrophobicContact CB-CB 4.32Å; P313-F316 VanDerWaalsContact O-CB 3.23Å; P313-F316 WeakPolarHBondContact O-CB 3.48Å; P313-F316 PolarHBondContact O-N 3.02Å; P314-F316 VanDerWaalsContact C-N 3.32Å; F316-V318 PolarHBondContact O-N 3.49Å; F316-D319 PolarHBondContact O-N 3.15Å; F316-I320 HydrophobicContact CD1-CD1 3.21Å; F316-I320 HydrophobicContact CD1-CG1 3.96Å; F316-I320 HydrophobicContact CE1-CD1 3.03Å; F316-I320 HydrophobicContact CE1-CG1 3.68Å; F316-I320 HydrophobicContact CE2-CD1 4.49Å; F316-I320 HydrophobicContact CE2-CG1 4.31Å; F316-I320 HydrophobicContact CG-CD1 4.04Å; F316-I320 HydrophobicContact CG-CG1 4.38Å; F316-I320 HydrophobicContact CZ-CD1 3.72Å; F316-I320 HydrophobicContact CZ-CG1 3.83Å; F316-I320 VanDerWaalsContact O-CD1 3.3Å; F316-I320 WeakPolarHBondContact O-CD1 3.28Å; F316-I320 WeakPolarHBondContact O-CG1 3.43Å; F316-I320 PolarHBondContact O-N 2.99Å; F316-I320 VanDerWaalsContact O-N 3.1Å
317F67.4Low72.3Confident11 Ų1158.6 Ų58.65%0.04834%0.337CS..Hα-helixtrans-74.4-3.7173.8-55.6-60.6000114.2L309 V312 P314 D315 V321 L327 F362 W364L309-F317 HydrophobicContact CD2-CE1 4.14Å; L309-F317 HydrophobicContact CD2-CZ 4.02Å; V312-F317 HydrophobicContact CB-CE1 4Å; V312-F317 HydrophobicContact CB-CE2 3.83Å; V312-F317 HydrophobicContact CB-CZ 3.38Å; V312-F317 HydrophobicContact CG1-CD1 4.09Å; V312-F317 HydrophobicContact CG1-CD2 4.25Å; V312-F317 HydrophobicContact CG1-CE1 3.52Å; V312-F317 HydrophobicContact CG1-CE2 3.7Å; V312-F317 HydrophobicContact CG1-CG 4.44Å; V312-F317 HydrophobicContact CG1-CZ 3.33Å; V312-F317 HydrophobicContact CG2-CE1 4.46Å; V312-F317 HydrophobicContact CG2-CZ 4.11Å; P314-F317 WeakPolarHBondContact O-CB 3.43Å; P314-F317 PolarHBondContact O-N 3.14Å; D315-F317 VanDerWaalsContact C-N 3.26Å; D315-F317 PolarHBondContact O-N 3.41Å; F317-V321 WeakPolarHBondContact O-CB 3.48Å; F317-V321 WeakPolarHBondContact O-CG2 3.38Å; F317-L327 HydrophobicContact CD1-CD1 3.74Å; F317-L327 HydrophobicContact CE1-CD1 3.41Å; F317-L327 VanDerWaalsContact CE1-CD1 3.41Å; F317-F362 HydrophobicContact CD2-CD1 4.13Å; F317-F362 HydrophobicContact CD2-CE1 4.02Å; F317-F362 HydrophobicContact CE2-CD1 4Å; F317-F362 AromaticContact CE2-CE1 3.47Å; F317-F362 HydrophobicContact CE2-CE1 3.47Å; F317-F362 VanDerWaalsContact CE2-CE1 3.47Å; F317-F362 AromaticContact CE2-CZ 3.92Å; F317-F362 HydrophobicContact CE2-CZ 3.92Å; F317-F362 HydrophobicContact CZ-CE1 4.37Å; F317-F362 HydrophobicContact CZ-CZ 4.42Å; F317-W364 HydrophobicContact CB-CZ2 4.17Å; F317-W364 HydrophobicContact CD1-CH2 4.08Å; F317-W364 AromaticContact CD1-CZ2 3.87Å; F317-W364 HydrophobicContact CD1-CZ2 3.87Å; F317-W364 HydrophobicContact CD2-CZ2 4.2Å; F317-W364 HydrophobicContact CE1-CH2 4Å; F317-W364 HydrophobicContact CE1-CZ2 4.22Å; F317-W364 HydrophobicContact CG-CH2 4.44Å; F317-W364 AromaticContact CG-CZ2 3.84Å; F317-W364 HydrophobicContact CG-CZ2 3.84Å; F317-W364 HydrophobicContact CZ-CH2 4.29Å
318V61.1Low71.8Confident99 Ų9957.3 Ų57.360%0.633%0.333SS*.Hα-helixtrans-96.1-40.9172.8-177.80000109.5D315 F316 V321D315-V318 WeakPolarHBondContact O-CB 3.49Å; D315-V318 PolarHBondContact O-N 3.41Å; F316-V318 PolarHBondContact O-N 3.49Å; V318-V321 WeakPolarHBondContact O-CB 3.43Å; V318-V321 PolarHBondContact O-N 3.42Å
319D53.9Low71.3Confident129 Ų12959.3 Ų59.369%0.6935%0.347SS*.Hα-helixtrans-81.8-27.2-176.1-77.1-23.3000114.5D315 F316 V321D315-D319 PolarHBondContact O-N 3.2Å; D315-D319 VanDerWaalsContact O-N 3.12Å; F316-D319 PolarHBondContact O-N 3.15Å; D319-V321 PolarHBondContact O-N 3.11Å
320I51.5Low71.3Confident38 Ų3859.8 Ų59.820%0.19535%0.35CS..THydrogen-bonded Turntrans-64.8-16166-57.4159.7000111.1F274 F316 F326F274-I320 HydrophobicContact CE2-CD1 4.34Å; F274-I320 HydrophobicContact CZ-CD1 4.36Å; F274-I320 HydrophobicContact CZ-CG1 4.37Å; F274-I320 HydrophobicContact CZ-CG2 4.14Å; F316-I320 HydrophobicContact CD1-CD1 3.21Å; F316-I320 HydrophobicContact CD1-CG1 3.96Å; F316-I320 HydrophobicContact CE1-CD1 3.03Å; F316-I320 HydrophobicContact CE1-CG1 3.68Å; F316-I320 HydrophobicContact CE2-CD1 4.49Å; F316-I320 HydrophobicContact CE2-CG1 4.31Å; F316-I320 HydrophobicContact CG-CD1 4.04Å; F316-I320 HydrophobicContact CG-CG1 4.38Å; F316-I320 HydrophobicContact CZ-CD1 3.72Å; F316-I320 HydrophobicContact CZ-CG1 3.83Å; F316-I320 VanDerWaalsContact O-CD1 3.3Å; F316-I320 WeakPolarHBondContact O-CD1 3.28Å; F316-I320 WeakPolarHBondContact O-CG1 3.43Å; F316-I320 PolarHBondContact O-N 2.99Å; F316-I320 VanDerWaalsContact O-N 3.1Å; I320-F326 HydrophobicContact CG2-CD1 4.1Å; I320-F326 HydrophobicContact CG2-CE1 4.14Å
321V43.8Very low71.4Confident46 Ų4658.5 Ų58.528%0.27934%0.336SS..THydrogen-bonded Turntrans-112.48-157.6-176.80000113.5F317 V318 D319 Q323 N325F317-V321 WeakPolarHBondContact O-CB 3.48Å; F317-V321 WeakPolarHBondContact O-CG2 3.38Å; V318-V321 WeakPolarHBondContact O-CB 3.43Å; V318-V321 PolarHBondContact O-N 3.42Å; D319-V321 PolarHBondContact O-N 3.11Å; V321-Q323 CarbonylContact O-C 3.59Å; V321-Q323 PolarHBondContact O-N 3.11Å; V321-N325 HydrophobicContact CB-CB 4.2Å; V321-N325 HydrophobicContact CG1-CB 3.65Å; V321-N325 HydrophobicContact CG2-CB 3.46Å; V321-N325 VanDerWaalsContact CG2-CB 3.46Å
322S49.8Very low71.5Confident115 Ų11557 Ų5780%0.80433%0.329SS*.SBendtrans-60.1-9.8162.656.60000112.7
323Q49.4Very low71.9Confident159 Ų15958.9 Ų58.974%0.74334%0.339SS*.SBendtrans-131.2121.4156.9-62-173.8-9.900107.9V321V321-Q323 CarbonylContact O-C 3.59Å; V321-Q323 PolarHBondContact O-N 3.11Å
324S58Low72.7Confident110 Ų11056.2 Ų56.277%0.76932%0.321SS*.  trans21.5102.816529.50000116.7F326S324-F326 PolarHBondContact O-N 3.36Å
325N72.5Confident73.8Confident17 Ų1752 Ų529%0.09129%0.294CS..  trans-55.298.6-180-171.8-4.3000111.7V321 L327 T328 S329V321-N325 HydrophobicContact CB-CB 4.2Å; V321-N325 HydrophobicContact CG1-CB 3.65Å; V321-N325 HydrophobicContact CG2-CB 3.46Å; V321-N325 VanDerWaalsContact CG2-CB 3.46Å; N325-L327 PolarHBondContact O-N 2.67Å; N325-L327 WeakPolarHBondContact OD1-CB 3.45Å; N325-L327 PolarHBondContact OD1-N 3.16Å; N325-L327 VanDerWaalsContact OD1-N 3.13Å; N325-T328 PolarHBondContact ND2-OG1 2.78Å; N325-T328 PolarHBondContact O-N 3.29Å; N325-S329 PolarHBondContact O-N 3.11Å
326F82.4Confident75Confident32 Ų3253 Ų5314%0.1430%0.295CS..Hα-helixtrans-56.8-29.7-177.484.3-87.6000111.6F274 W277 K278 L281 I320 S324 S329 T330F274-F326 HydrophobicContact CE2-CE1 4.26Å; F274-F326 HydrophobicContact CZ-CE1 4.12Å; W277-F326 HydrophobicContact CE3-CZ 4.18Å; W277-F326 HydrophobicContact CH2-CZ 4.24Å; W277-F326 HydrophobicContact CZ3-CE1 4.46Å; W277-F326 HydrophobicContact CZ3-CE2 4.49Å; W277-F326 AromaticContact CZ3-CZ 3.61Å; W277-F326 HydrophobicContact CZ3-CZ 3.61Å; K278-F326 HydrophobicContact CB-CE2 4.21Å; K278-F326 HydrophobicContact CB-CZ 4.46Å; K278-F326 HydrophobicContact CD-CD1 4.26Å; K278-F326 HydrophobicContact CD-CE1 3.9Å; K278-F326 HydrophobicContact CD-CE2 4.41Å; K278-F326 HydrophobicContact CD-CZ 4Å; K278-F326 HydrophobicContact CG-CD1 4.34Å; K278-F326 HydrophobicContact CG-CD2 4.08Å; K278-F326 HydrophobicContact CG-CE1 3.78Å; K278-F326 HydrophobicContact CG-CE2 3.51Å; K278-F326 HydrophobicContact CG-CG 4.47Å; K278-F326 HydrophobicContact CG-CZ 3.33Å; L281-F326 HydrophobicContact CD2-CE2 4.25Å; I320-F326 HydrophobicContact CG2-CD1 4.1Å; I320-F326 HydrophobicContact CG2-CE1 4.14Å; S324-F326 PolarHBondContact O-N 3.36Å; F326-S329 PolarHBondContact O-OG 3.3Å; F326-S329 VanDerWaalsContact O-OG 3.11Å; F326-T330 WeakPolarHBondContact O-CB 3.48Å; F326-T330 PolarHBondContact O-N 3.36Å; F326-T330 PolarHBondContact O-OG1 3.13Å
327L87Confident76.1Confident1 Ų151.3 Ų51.31%0.00529%0.288CS..Hα-helixtrans-66.9-40.4177.5-69.5168.9000111.7W277 L281 L309 F317 N325 L331 W364W277-L327 HydrophobicContact CH2-CD1 4.03Å; W277-L327 HydrophobicContact CH2-CD2 3.6Å; W277-L327 HydrophobicContact CH2-CG 4.34Å; W277-L327 HydrophobicContact CZ2-CD2 4.17Å; W277-L327 HydrophobicContact CZ3-CD2 4.2Å; L281-L327 HydrophobicContact CD2-CD2 3.34Å; L309-L327 HydrophobicContact CD2-CD1 4.2Å; F317-L327 HydrophobicContact CD1-CD1 3.74Å; F317-L327 HydrophobicContact CE1-CD1 3.41Å; F317-L327 VanDerWaalsContact CE1-CD1 3.41Å; N325-L327 PolarHBondContact O-N 2.67Å; N325-L327 WeakPolarHBondContact OD1-CB 3.45Å; N325-L327 PolarHBondContact OD1-N 3.16Å; N325-L327 VanDerWaalsContact OD1-N 3.13Å; L327-L331 WeakPolarHBondContact O-CB 3.43Å; L327-L331 WeakPolarHBondContact O-CD1 3.2Å; L327-L331 WeakPolarHBondContact O-CG 3.3Å; L327-L331 PolarHBondContact O-N 3.24Å; L327-W364 HydrophobicContact CB-CH2 4.15Å; L327-W364 HydrophobicContact CB-CZ3 4.33Å; L327-W364 HydrophobicContact CD1-CH2 4.21Å
328T86.4Confident77.4Confident27 Ų2750.8 Ų50.817%0.16629%0.285CS..Hα-helixtrans-65.8-48.3-179-560000110.1N325 L331 Q332 F366N325-T328 PolarHBondContact ND2-OG1 2.78Å; N325-T328 PolarHBondContact O-N 3.29Å; T328-L331 PolarHBondContact O-N 3.43Å; T328-Q332 VanDerWaalsContact O-CB 3.27Å; T328-Q332 WeakPolarHBondContact O-CB 3.45Å; T328-Q332 PolarHBondContact O-N 2.82Å; T328-F366 HydrophobicContact CG2-CD1 4.27Å; T328-F366 HydrophobicContact CG2-CE1 4.36Å
329S85.9Confident78.9Confident42 Ų4249.5 Ų49.529%0.29428%0.278SS..Hα-helixtrans-65.3-43.4177.555.10000112.5N325 F326 L331 Q332 D333N325-S329 PolarHBondContact O-N 3.11Å; F326-S329 PolarHBondContact O-OG 3.3Å; F326-S329 VanDerWaalsContact O-OG 3.11Å; S329-L331 PolarHBondContact O-N 3.2Å; S329-Q332 WeakPolarHBondContact O-CB 3.34Å; S329-Q332 PolarHBondContact O-N 3.3Å; S329-D333 PolarHBondContact O-N 3.24Å; S329-D333 VanDerWaalsContact O-N 3.13Å
330T91Very high80.6Confident11 Ų1144 Ų447%0.06725%0.251CS..Hα-helixtrans-64.3-40.4179.3-58.30000111.9L281 C285 F326 F334L281-T330 HydrophobicContact CD2-CG2 4.45Å; L281-T330 HydrophobicContact CG-CG2 3.91Å; C285-T330 HydrophobicContact CB-CG2 3.43Å; C285-T330 VanDerWaalsContact CB-CG2 3.43Å; C285-T330 WeakPolarHBondContact CB-O 3.49Å; F326-T330 WeakPolarHBondContact O-CB 3.48Å; F326-T330 PolarHBondContact O-N 3.36Å; F326-T330 PolarHBondContact O-OG1 3.13Å; T330-F334 PolarHBondContact O-N 3.12Å
331L93.5Very high82.4Confident1 Ų147 Ų471%0.00527%0.273CS..Hα-helixtrans-76.1-28.1177.7-69.3171.2000112.5L305 L309 L327 T328 S329 F334 F335 L358 W364 F366L305-L331 HydrophobicContact CD1-CD2 4.05Å; L309-L331 HydrophobicContact CD1-CD1 4.16Å; L327-L331 WeakPolarHBondContact O-CB 3.43Å; L327-L331 WeakPolarHBondContact O-CD1 3.2Å; L327-L331 WeakPolarHBondContact O-CG 3.3Å; L327-L331 PolarHBondContact O-N 3.24Å; T328-L331 PolarHBondContact O-N 3.43Å; S329-L331 PolarHBondContact O-N 3.2Å; L331-F334 WeakPolarHBondContact O-CB 3.4Å; L331-F334 PolarHBondContact O-N 3.11Å; L331-F335 HydrophobicContact CB-CD2 4.41Å; L331-F335 HydrophobicContact CB-CE2 3.96Å; L331-F335 WeakPolarHBondContact O-CD2 3.4Å; L331-F335 WeakPolarHBondContact O-CG 3.46Å; L331-F335 PolarHBondContact O-N 3.32Å; L331-L358 HydrophobicContact CD1-CD1 3.75Å; L331-W364 HydrophobicContact CD1-CZ3 3.99Å; L331-F366 HydrophobicContact CB-CD1 4.26Å; L331-F366 HydrophobicContact CB-CE1 3.67Å; L331-F366 HydrophobicContact CB-CZ 4.42Å; L331-F366 HydrophobicContact CD1-CE1 4.35Å
332Q92.3Very high84.6Confident32 Ų3247.8 Ų47.815%0.1529%0.291CS..Hα-helixtrans-59.8-50.1171.1178.4170.312.100110.8T328 S329 F334 F335 Q336 F366 A368T328-Q332 VanDerWaalsContact O-CB 3.27Å; T328-Q332 WeakPolarHBondContact O-CB 3.45Å; T328-Q332 PolarHBondContact O-N 2.82Å; S329-Q332 WeakPolarHBondContact O-CB 3.34Å; S329-Q332 PolarHBondContact O-N 3.3Å; Q332-F334 VanDerWaalsContact C-N 3.3Å; Q332-F334 PolarHBondContact O-N 3.42Å; Q332-F335 PolarHBondContact O-N 2.55Å; Q332-Q336 PolarHBondContact O-N 2.82Å; Q332-F366 HydrophobicContact CB-CB 4.46Å; Q332-F366 HydrophobicContact CB-CD1 4.34Å; Q332-F366 WeakPolarHBondContact CG-O 3.31Å; Q332-A368 PolarHBondContact NE2-O 3.27Å
333D92.1Very high86.8Confident47 Ų4742.8 Ų42.825%0.25126%0.255SS..Hα-helixtrans-54.5-47.7173.2-70.7-17.2000110.9R286 S329 F335 Q336 F337R286-D333 HydrophobicContact CG-CB 4.26Å; R286-D333 WeakPolarHBondContact CG-OD2 3.48Å; R286-D333 IonicContact NE-OD2 2.62Å; S329-D333 PolarHBondContact O-N 3.24Å; S329-D333 VanDerWaalsContact O-N 3.13Å; D333-F335 PolarHBondContact O-N 2.92Å; D333-Q336 PolarHBondContact O-N 3.48Å; D333-F337 HydrophobicContact CB-CE2 4.08Å; D333-F337 WeakPolarHBondContact O-CD2 3.24Å; D333-F337 WeakPolarHBondContact O-CG 3.31Å; D333-F337 PolarHBondContact O-N 2.9Å
334F96.3Very high89Confident0 Ų037.8 Ų37.80%023%0.234CC..Hα-helixtrans-57.2-46.7178.4173.2-101.1000112.9C285 M291 Y298 L301 I302 T330 L331 Q332 F337 A338 A351C285-F334 HydrophobicContact CB-CB 3.83Å; M291-F334 HydrophobicContact CE-CD2 3.49Å; M291-F334 VanDerWaalsContact CE-CD2 3.49Å; M291-F334 HydrophobicContact CE-CE2 3.59Å; M291-F334 HydrophobicContact CE-CG 4.49Å; M291-F334 HydrophobicContact SD-CE2 4.37Å; Y298-F334 HydrophobicContact CD1-CD2 4.43Å; Y298-F334 AromaticContact CD1-CE2 3.76Å; Y298-F334 HydrophobicContact CD1-CE2 3.76Å; Y298-F334 HydrophobicContact CE1-CE2 4.32Å; L301-F334 HydrophobicContact CD2-CE2 4.44Å; I302-F334 HydrophobicContact CD1-CE1 4.41Å; I302-F334 HydrophobicContact CD1-CZ 3.97Å; I302-F334 HydrophobicContact CG1-CE1 4.08Å; I302-F334 HydrophobicContact CG1-CZ 3.71Å; T330-F334 PolarHBondContact O-N 3.12Å; L331-F334 WeakPolarHBondContact O-CB 3.4Å; L331-F334 PolarHBondContact O-N 3.11Å; Q332-F334 VanDerWaalsContact C-N 3.3Å; Q332-F334 PolarHBondContact O-N 3.42Å; F334-F337 PolarHBondContact O-N 2.95Å; F334-A338 VanDerWaalsContact O-CB 3.23Å; F334-A338 WeakPolarHBondContact O-CB 3.41Å; F334-A338 PolarHBondContact O-N 2.85Å; F334-A351 HydrophobicContact CE1-CB 4.17Å; F334-A351 HydrophobicContact CZ-CB 4.47Å
335F96.2Very high90.8Very high6 Ų636 Ų363%0.02622%0.221CC..Hα-helixtrans-70.5-35.3-179.3-65.5-49.6000112.3L331 Q332 D333 A338 T339 A351 F354 K355 L358 F366L331-F335 HydrophobicContact CB-CD2 4.41Å; L331-F335 HydrophobicContact CB-CE2 3.96Å; L331-F335 WeakPolarHBondContact O-CD2 3.4Å; L331-F335 WeakPolarHBondContact O-CG 3.46Å; L331-F335 PolarHBondContact O-N 3.32Å; Q332-F335 PolarHBondContact O-N 2.55Å; D333-F335 PolarHBondContact O-N 2.92Å; F335-A338 PolarHBondContact O-N 2.92Å; F335-T339 WeakPolarHBondContact O-CG2 3.39Å; F335-T339 PolarHBondContact O-N 3.24Å; F335-T339 VanDerWaalsContact O-N 3.16Å; F335-T339 PolarHBondContact O-OG1 2.94Å; F335-A351 HydrophobicContact CD1-CB 4.39Å; F335-A351 WeakPolarHBondContact CE1-O 3.24Å; F335-F354 HydrophobicContact CE1-CB 4.42Å; F335-F354 AromaticContact CE1-CD1 3.84Å; F335-F354 HydrophobicContact CE1-CD1 3.84Å; F335-F354 HydrophobicContact CE1-CG 4.48Å; F335-F354 AromaticContact CZ-CD1 3.83Å; F335-F354 HydrophobicContact CZ-CD1 3.83Å; F335-F354 HydrophobicContact CZ-CE1 4.29Å; F335-F354 HydrophobicContact CZ-CG 4.47Å; F335-K355 HydrophobicContact CB-CD 4.06Å; F335-K355 HydrophobicContact CD1-CB 3.78Å; F335-K355 HydrophobicContact CD1-CD 4.45Å; F335-K355 HydrophobicContact CD1-CG 4.46Å; F335-K355 HydrophobicContact CD2-CB 4.02Å; F335-K355 HydrophobicContact CD2-CD 3.97Å; F335-K355 HydrophobicContact CD2-CG 3.92Å; F335-K355 HydrophobicContact CE1-CB 3.63Å; F335-K355 HydrophobicContact CE2-CB 3.89Å; F335-K355 HydrophobicContact CE2-CG 4.05Å; F335-K355 HydrophobicContact CG-CB 3.99Å; F335-K355 HydrophobicContact CG-CD 3.91Å; F335-K355 HydrophobicContact CG-CG 4.16Å; F335-K355 VanDerWaalsContact CZ-CA 3.48Å; F335-K355 HydrophobicContact CZ-CB 3.71Å; F335-K355 HydrophobicContact CZ-CG 4.38Å; F335-L358 HydrophobicContact CE2-CD1 4.39Å; F335-L358 HydrophobicContact CZ-CD1 4.08Å; F335-F366 HydrophobicContact CD2-CB 4.18Å; F335-F366 AromaticContact CD2-CD1 3.99Å; F335-F366 HydrophobicContact CD2-CD1 3.99Å; F335-F366 HydrophobicContact CD2-CD2 4.1Å; F335-F366 HydrophobicContact CD2-CE1 4.3Å; F335-F366 HydrophobicContact CD2-CE2 4.4Å; F335-F366 AromaticContact CD2-CG 3.85Å; F335-F366 HydrophobicContact CD2-CG 3.85Å; F335-F366 HydrophobicContact CD2-CZ 4.45Å; F335-F366 AromaticContact CE2-CD1 4Å; F335-F366 HydrophobicContact CE2-CD1 4Å; F335-F366 AromaticContact CE2-CD2 3.94Å; F335-F366 HydrophobicContact CE2-CD2 3.94Å; F335-F366 AromaticContact CE2-CE1 3.84Å; F335-F366 HydrophobicContact CE2-CE1 3.84Å; F335-F366 AromaticContact CE2-CE2 3.77Å; F335-F366 HydrophobicContact CE2-CE2 3.77Å; F335-F366 HydrophobicContact CE2-CG 4.02Å; F335-F366 AromaticContact CE2-CZ 3.68Å; F335-F366 HydrophobicContact CE2-CZ 3.68Å
336Q93.8Very high92Very high125 Ų12538.7 Ų38.758%0.58424%0.238SC*.Hα-helixtrans-61.2-48.9173.2-170.8179.824.400110.5Q332 D333 T339 G340Q332-Q336 PolarHBondContact O-N 2.82Å; D333-Q336 PolarHBondContact O-N 3.48Å; Q336-T339 PolarHBondContact O-N 3.22Å; Q336-T339 PolarHBondContact O-OG1 2.9Å; Q336-G340 PolarHBondContact O-N 3.13Å
337F94.8Very high92.7Very high30 Ų3037.1 Ų37.113%0.13223%0.232CC..Hα-helixtrans-66.7-40.2178.1-62.1-32.2000112.7C285 E288 M291 D333 F334 T339 G340 V343C285-F337 WeakPolarHBondContact O-CD2 3.44Å; E288-F337 HydrophobicContact CB-CB 4.33Å; E288-F337 HydrophobicContact CB-CD1 3.9Å; E288-F337 HydrophobicContact CB-CD2 4.13Å; E288-F337 HydrophobicContact CB-CE1 4.26Å; E288-F337 HydrophobicContact CB-CE2 4.47Å; E288-F337 HydrophobicContact CB-CG 3.85Å; E288-F337 HydrophobicContact CG-CB 4.02Å; E288-F337 HydrophobicContact CG-CD1 3.72Å; E288-F337 HydrophobicContact CG-CE1 4.4Å; E288-F337 HydrophobicContact CG-CG 3.88Å; M291-F337 HydrophobicContact CE-CB 3.88Å; M291-F337 HydrophobicContact SD-CB 4.31Å; D333-F337 HydrophobicContact CB-CE2 4.08Å; D333-F337 WeakPolarHBondContact O-CD2 3.24Å; D333-F337 WeakPolarHBondContact O-CG 3.31Å; D333-F337 PolarHBondContact O-N 2.9Å; F334-F337 PolarHBondContact O-N 2.95Å; F337-T339 PolarHBondContact O-N 3.3Å; F337-G340 PolarHBondContact O-N 2.94Å; F337-V343 WeakPolarHBondContact O-CG2 3.46Å
338A94.9Very high93.2Very high0 Ų040.9 Ų40.90%025%0.246CC..Hα-helixtrans-65.4-24.7179.800000114M291 F334 F335 V343 A351M291-A338 HydrophobicContact CE-CB 4.49Å; M291-A338 WeakPolarHBondContact SD-CA 3.43Å; M291-A338 HydrophobicContact SD-CB 3.69Å; M291-A338 PolarHBondContact SD-N 2.98Å; F334-A338 VanDerWaalsContact O-CB 3.23Å; F334-A338 WeakPolarHBondContact O-CB 3.41Å; F334-A338 PolarHBondContact O-N 2.85Å; F335-A338 PolarHBondContact O-N 2.92Å; A338-V343 WeakPolarHBondContact O-CG1 3.4Å; A338-A351 HydrophobicContact CB-CB 3.62Å
339T90.7Very high93.7Very high72 Ų7246 Ų4644%0.44227%0.265SS..Hα-helixtrans-90-8.7174.655.30000113F335 Q336 F337 E352F335-T339 WeakPolarHBondContact O-CG2 3.39Å; F335-T339 PolarHBondContact O-N 3.24Å; F335-T339 VanDerWaalsContact O-N 3.16Å; F335-T339 PolarHBondContact O-OG1 2.94Å; Q336-T339 PolarHBondContact O-N 3.22Å; Q336-T339 PolarHBondContact O-OG1 2.9Å; F337-T339 PolarHBondContact O-N 3.3Å; T339-E352 HydrophobicContact CG2-CG 4.47Å
340G89.9Confident94.3Very high12 Ų1247.2 Ų47.212%0.12427%0.265CS..SBendtrans-62.5164.4179.600000115.1Q336 F337 R348Q336-G340 PolarHBondContact O-N 3.13Å; F337-G340 PolarHBondContact O-N 2.94Å; G340-R348 PolarHBondContact O-NH2 3.18Å
341P90.3Very high94.6Very high101 Ų10146.7 Ų46.766%0.65626%0.263SS*.THydrogen-bonded Turntrans-65.3143.3177.229.1-34.2000111R292 V343R292-P341 PolarHBondContact NE-O 3.22Å; P341-V343 VanDerWaalsContact C-N 3.32Å; P341-V343 PolarHBondContact O-N 2.97Å
342G90.2Very high94.8Very high64 Ų6451.3 Ų51.366%0.6628%0.284SS*.THydrogen-bonded Turntrans84.8-6.8177.600000115.8
343V94.6Very high95Very high10 Ų1057.4 Ų57.46%0.06131%0.31CS..  trans-75.8139.9172.6-176.80000111R292 F337 A338 P341 L347R292-V343 HydrophobicContact CG-CG2 4.26Å; F337-V343 WeakPolarHBondContact O-CG2 3.46Å; A338-V343 WeakPolarHBondContact O-CG1 3.4Å; P341-V343 VanDerWaalsContact C-N 3.32Å; P341-V343 PolarHBondContact O-N 2.97Å; V343-L347 HydrophobicContact CG1-CB 4.26Å; V343-L347 HydrophobicContact CG1-CD2 3.85Å; V343-L347 HydrophobicContact CG1-CG 4.05Å
344D96.8Very high95.3Very high53 Ų5355.5 Ų55.528%0.28330%0.299SS..  trans-56.3136.5177.9175.6-86.9000112.4K295 T346 L347 R348K295-D344 HydrophobicContact CD-CB 3.9Å; K295-D344 VanDerWaalsContact CD-CG 3.47Å; K295-D344 WeakPolarHBondContact CE-OD1 3.45Å; K295-D344 WeakPolarHBondContact CE-OD2 3.41Å; K295-D344 HydrophobicContact CG-CB 4.18Å; K295-D344 IonicContact NZ-OD1 3.37Å; K295-D344 PolarHBondContact NZ-OD1 3.41Å; K295-D344 IonicContact NZ-OD2 2.64Å; K295-D344 PolarHBondContact NZ-OD2 2.9Å; D344-T346 VanDerWaalsContact C-N 3.26Å; D344-T346 PolarHBondContact O-N 3.48Å; D344-T346 VanDerWaalsContact OD1-CA 3.3Å; D344-T346 WeakPolarHBondContact OD1-CA 3.28Å; D344-T346 WeakPolarHBondContact OD1-CB 3.41Å; D344-T346 PolarHBondContact OD1-N 3.07Å; D344-T346 PolarHBondContact OD1-OG1 3.02Å; D344-L347 HydrophobicContact CB-CB 4.27Å; D344-L347 PolarHBondContact O-N 3.42Å; D344-L347 PolarHBondContact OD1-N 3.25Å; D344-L347 VanDerWaalsContact OD1-N 3.17Å; D344-R348 PolarHBondContact O-N 3.27Å
345S96.1Very high95.3Very high73 Ų7357.4 Ų57.451%0.5131%0.308SS..Hα-helixtrans-63.5-27.1-175.568.30000114.5K349S345-K349 VanDerWaalsContact O-CG 3.26Å; S345-K349 WeakPolarHBondContact O-CG 3.21Å; S345-K349 PolarHBondContact O-N 3.04Å
346T97.1Very high95.3Very high73 Ų7360 Ų6045%0.44833%0.33SS..Hα-helixtrans-74.6-45.2176.5-48.50000110D344 K349 K350D344-T346 VanDerWaalsContact C-N 3.26Å; D344-T346 PolarHBondContact O-N 3.48Å; D344-T346 VanDerWaalsContact OD1-CA 3.3Å; D344-T346 WeakPolarHBondContact OD1-CA 3.28Å; D344-T346 WeakPolarHBondContact OD1-CB 3.41Å; D344-T346 PolarHBondContact OD1-N 3.07Å; D344-T346 PolarHBondContact OD1-OG1 3.02Å; T346-K349 PolarHBondContact O-N 3.16Å; T346-K350 WeakPolarHBondContact O-CB 3.43Å; T346-K350 PolarHBondContact O-N 3.42Å
347L97.4Very high95.4Very high0 Ų057 Ų570%032%0.316CS..Hα-helixtrans-60.1-48.4175.917755.7000110.8M291 Y298 L299 I302 V343 D344 K349 K350 A351M291-L347 HydrophobicContact CG-CD2 3.74Å; M291-L347 HydrophobicContact SD-CD2 4.42Å; Y298-L347 HydrophobicContact CG-CD2 4.49Å; L299-L347 HydrophobicContact CD2-CB 4.21Å; L299-L347 HydrophobicContact CD2-CD1 3.95Å; L299-L347 HydrophobicContact CG-CD1 4.27Å; I302-L347 HydrophobicContact CD1-CD1 3.65Å; V343-L347 HydrophobicContact CG1-CB 4.26Å; V343-L347 HydrophobicContact CG1-CD2 3.85Å; V343-L347 HydrophobicContact CG1-CG 4.05Å; D344-L347 HydrophobicContact CB-CB 4.27Å; D344-L347 PolarHBondContact O-N 3.42Å; D344-L347 PolarHBondContact OD1-N 3.25Å; D344-L347 VanDerWaalsContact OD1-N 3.17Å; L347-K349 PolarHBondContact O-N 3.4Å; L347-K350 PolarHBondContact O-N 3.07Å; L347-K350 VanDerWaalsContact O-N 3.12Å; L347-A351 WeakPolarHBondContact O-CB 3.29Å; L347-A351 PolarHBondContact O-N 3.19Å
348R97.6Very high95.3Very high80 Ų8055.6 Ų55.630%0.30231%0.31SS..Hα-helixtrans-54.4-52.3176.6-174.8-177.6-60.3174.9-2.1112.4G340 D344 K350 A351 E352G340-R348 PolarHBondContact O-NH2 3.18Å; D344-R348 PolarHBondContact O-N 3.27Å; R348-K350 VanDerWaalsContact C-N 3.27Å; R348-K350 PolarHBondContact O-N 3.1Å; R348-A351 PolarHBondContact O-N 2.84Å; R348-E352 WeakPolarHBondContact O-CG 3.27Å; R348-E352 PolarHBondContact O-N 3.29Å
349K97.4Very high95.1Very high133 Ų13358.3 Ų58.358%0.57833%0.327SS*.Hα-helixtrans-60.1-36.5178.5-74.9173.6-177.1176.50112.6S345 T346 L347 K353S345-K349 VanDerWaalsContact O-CG 3.26Å; S345-K349 WeakPolarHBondContact O-CG 3.21Å; S345-K349 PolarHBondContact O-N 3.04Å; T346-K349 PolarHBondContact O-N 3.16Å; L347-K349 PolarHBondContact O-N 3.4Å; K349-K353 WeakPolarHBondContact O-CG 3.37Å; K349-K353 PolarHBondContact O-N 3.09Å
350K97.8Very high95.2Very high68 Ų6863.6 Ų63.630%0.29634%0.343SS..Hα-helixtrans-71-40.8178-163.1-179179-175.30110.9L299 I302 T303 T346 L347 R348 K353 F354L299-K350 HydrophobicContact CD2-CB 4.25Å; L299-K350 HydrophobicContact CD2-CD 3.63Å; L299-K350 PolarHBondContact O-NZ 3.35Å; I302-K350 HydrophobicContact CB-CD 4.33Å; I302-K350 HydrophobicContact CD1-CB 4.07Å; I302-K350 HydrophobicContact CD1-CD 4.19Å; I302-K350 HydrophobicContact CD1-CG 4.06Å; I302-K350 HydrophobicContact CG2-CD 4.17Å; I302-K350 HydrophobicContact CG2-CG 4.02Å; T303-K350 PolarHBondContact OG1-NZ 2.92Å; T346-K350 WeakPolarHBondContact O-CB 3.43Å; T346-K350 PolarHBondContact O-N 3.42Å; L347-K350 PolarHBondContact O-N 3.07Å; L347-K350 VanDerWaalsContact O-N 3.12Å; R348-K350 VanDerWaalsContact C-N 3.27Å; R348-K350 PolarHBondContact O-N 3.1Å; K350-K353 PolarHBondContact O-N 2.78Å; K350-F354 WeakPolarHBondContact O-CB 3.45Å; K350-F354 PolarHBondContact O-N 3.37Å
351A97.6Very high95.1Very high1 Ų167.5 Ų67.51%0.00836%0.357CS..Hα-helixtrans-63.4-44.8175.700000111.8I302 F334 F335 A338 L347 R348 K353 F354 K355I302-A351 HydrophobicContact CD1-CB 4.12Å; F334-A351 HydrophobicContact CE1-CB 4.17Å; F334-A351 HydrophobicContact CZ-CB 4.47Å; F335-A351 HydrophobicContact CD1-CB 4.39Å; F335-A351 WeakPolarHBondContact CE1-O 3.24Å; A338-A351 HydrophobicContact CB-CB 3.62Å; L347-A351 WeakPolarHBondContact O-CB 3.29Å; L347-A351 PolarHBondContact O-N 3.19Å; R348-A351 PolarHBondContact O-N 2.84Å; A351-K353 PolarHBondContact O-N 2.64Å; A351-F354 WeakPolarHBondContact O-CB 3.44Å; A351-F354 PolarHBondContact O-N 3.35Å; A351-F354 VanDerWaalsContact O-N 3.13Å; A351-K355 WeakPolarHBondContact O-CB 3.23Å; A351-K355 PolarHBondContact O-N 2.64Å
352E97.1Very high94.9Very high97 Ų9764 Ų6445%0.45333%0.332SS..Hα-helixtrans-58.9-45175.5-73.5169-179.700112.1T339 R348 F354 K355 A356T339-E352 HydrophobicContact CG2-CG 4.47Å; R348-E352 WeakPolarHBondContact O-CG 3.27Å; R348-E352 PolarHBondContact O-N 3.29Å; E352-F354 VanDerWaalsContact C-N 3.31Å; E352-F354 PolarHBondContact O-N 3.42Å; E352-K355 PolarHBondContact O-N 3.47Å; E352-A356 WeakPolarHBondContact O-CB 3.36Å; E352-A356 PolarHBondContact O-N 3.28Å
353K97.6Very high94.7Very high160 Ų16066.5 Ų66.570%0.69634%0.337SS*.Hα-helixtrans-63.4-39.1175-74178.6-178.7-175.80112K349 K350 A351 H357K349-K353 WeakPolarHBondContact O-CG 3.37Å; K349-K353 PolarHBondContact O-N 3.09Å; K350-K353 PolarHBondContact O-N 2.78Å; A351-K353 PolarHBondContact O-N 2.64Å; K353-H357 WeakPolarHBondContact O-CB 3.46Å; K353-H357 PolarHBondContact O-N 3.5Å
354F97.3Very high94.4Very high7 Ų767.4 Ų67.43%0.03134%0.34CS..Hα-helixtrans-67.4-45.6178.8-176.8-134.8000111.5I302 L305 Y306 L309 F335 K350 A351 E352 A356 H357 L358I302-F354 HydrophobicContact CG1-CD1 4.35Å; I302-F354 HydrophobicContact CG2-CB 3.76Å; I302-F354 HydrophobicContact CG2-CD1 3.87Å; I302-F354 HydrophobicContact CG2-CD2 4.29Å; I302-F354 HydrophobicContact CG2-CG 3.72Å; L305-F354 HydrophobicContact CB-CE1 4.02Å; L305-F354 HydrophobicContact CB-CZ 3.64Å; L305-F354 HydrophobicContact CD1-CE1 4.32Å; Y306-F354 HydrophobicContact CD2-CD2 4.32Å; Y306-F354 HydrophobicContact CD2-CE2 4.35Å; L309-F354 HydrophobicContact CD1-CZ 4.14Å; F335-F354 HydrophobicContact CE1-CB 4.42Å; F335-F354 AromaticContact CE1-CD1 3.84Å; F335-F354 HydrophobicContact CE1-CD1 3.84Å; F335-F354 HydrophobicContact CE1-CG 4.48Å; F335-F354 AromaticContact CZ-CD1 3.83Å; F335-F354 HydrophobicContact CZ-CD1 3.83Å; F335-F354 HydrophobicContact CZ-CE1 4.29Å; F335-F354 HydrophobicContact CZ-CG 4.47Å; K350-F354 WeakPolarHBondContact O-CB 3.45Å; K350-F354 PolarHBondContact O-N 3.37Å; A351-F354 WeakPolarHBondContact O-CB 3.44Å; A351-F354 PolarHBondContact O-N 3.35Å; A351-F354 VanDerWaalsContact O-N 3.13Å; E352-F354 VanDerWaalsContact C-N 3.31Å; E352-F354 PolarHBondContact O-N 3.42Å; F354-A356 PolarHBondContact O-N 3.45Å; F354-H357 WeakPolarHBondContact O-CB 3.29Å; F354-H357 PolarHBondContact O-N 2.9Å; F354-H357 VanDerWaalsContact O-N 3.13Å; F354-L358 HydrophobicContact CD1-CD1 4.42Å; F354-L358 HydrophobicContact CD2-CD1 4.45Å; F354-L358 HydrophobicContact CD2-CG 4.17Å; F354-L358 HydrophobicContact CE1-CD1 3.93Å; F354-L358 HydrophobicContact CE2-CD1 3.94Å; F354-L358 HydrophobicContact CE2-CD2 3.8Å; F354-L358 HydrophobicContact CE2-CG 3.81Å; F354-L358 HydrophobicContact CZ-CD1 3.66Å; F354-L358 HydrophobicContact CZ-CD2 4.14Å; F354-L358 HydrophobicContact CZ-CG 4.07Å; F354-L358 WeakPolarHBondContact O-CG 3.27Å; F354-L358 PolarHBondContact O-N 2.62Å
355K96.6Very high93.8Very high40 Ų4069.3 Ų69.317%0.17435%0.35CS..Hα-helixtrans-52.4-53171.3-179.4171166.9167.10111.1F335 A351 E352 H357 L358 T359 F366 D367F335-K355 HydrophobicContact CB-CD 4.06Å; F335-K355 HydrophobicContact CD1-CB 3.78Å; F335-K355 HydrophobicContact CD1-CD 4.45Å; F335-K355 HydrophobicContact CD1-CG 4.46Å; F335-K355 HydrophobicContact CD2-CB 4.02Å; F335-K355 HydrophobicContact CD2-CD 3.97Å; F335-K355 HydrophobicContact CD2-CG 3.92Å; F335-K355 HydrophobicContact CE1-CB 3.63Å; F335-K355 HydrophobicContact CE2-CB 3.89Å; F335-K355 HydrophobicContact CE2-CG 4.05Å; F335-K355 HydrophobicContact CG-CB 3.99Å; F335-K355 HydrophobicContact CG-CD 3.91Å; F335-K355 HydrophobicContact CG-CG 4.16Å; F335-K355 VanDerWaalsContact CZ-CA 3.48Å; F335-K355 HydrophobicContact CZ-CB 3.71Å; F335-K355 HydrophobicContact CZ-CG 4.38Å; A351-K355 WeakPolarHBondContact O-CB 3.23Å; A351-K355 PolarHBondContact O-N 2.64Å; E352-K355 PolarHBondContact O-N 3.47Å; K355-H357 VanDerWaalsContact C-N 3.28Å; K355-H357 PolarHBondContact O-N 3.43Å; K355-L358 PolarHBondContact O-N 3.35Å; K355-L358 VanDerWaalsContact O-N 3.16Å; K355-T359 PolarHBondContact O-N 3.31Å; K355-T359 PolarHBondContact O-OG1 2.81Å; K355-F366 HydrophobicContact CD-CB 4.44Å; K355-F366 HydrophobicContact CD-CD2 4.43Å; K355-F366 HydrophobicContact CG-CD2 3.79Å; K355-F366 HydrophobicContact CG-CE2 4.3Å; K355-D367 VanDerWaalsContact CE-OD2 3.28Å; K355-D367 WeakPolarHBondContact CE-OD2 3.41Å; K355-D367 IonicContact NZ-OD1 2.67Å; K355-D367 PolarHBondContact NZ-OD1 2.9Å; K355-D367 IonicContact NZ-OD2 3.67Å; K355-D367 PolarHBondContact NZ-OD2 3.43Å
356A96.3Very high93.4Very high60 Ų6066.1 Ų66.150%0.49633%0.327SS..Hα-helixtrans-60-37179.100000113E352 F354 K360E352-A356 WeakPolarHBondContact O-CB 3.36Å; E352-A356 PolarHBondContact O-N 3.28Å; F354-A356 PolarHBondContact O-N 3.45Å; A356-K360 VanDerWaalsContact O-CB 3.29Å; A356-K360 WeakPolarHBondContact O-CB 3.42Å; A356-K360 PolarHBondContact O-N 2.83Å; A356-K360 VanDerWaalsContact O-N 3.07Å
357H95.2Very high92.8Very high63 Ų6368.4 Ų68.429%0.29234%0.336SS..Hα-helixtrans-63.9-48.2174.617679000111.8Y306 K353 F354 K355 K360 K361Y306-H357 AromaticContact CD2-CD2 3.94Å; Y306-H357 AromaticContact CE2-CD2 3.75Å; Y306-H357 AromaticContact CE2-CE1 3.75Å; Y306-H357 AromaticContact CE2-NE2 3.59Å; K353-H357 WeakPolarHBondContact O-CB 3.46Å; K353-H357 PolarHBondContact O-N 3.5Å; F354-H357 WeakPolarHBondContact O-CB 3.29Å; F354-H357 PolarHBondContact O-N 2.9Å; F354-H357 VanDerWaalsContact O-N 3.13Å; K355-H357 VanDerWaalsContact C-N 3.28Å; K355-H357 PolarHBondContact O-N 3.43Å; H357-K360 PolarHBondContact O-N 3.07Å; H357-K361 VanDerWaalsContact O-CB 3.31Å; H357-K361 WeakPolarHBondContact O-CB 3.32Å; H357-K361 PolarHBondContact O-N 3.35Å
358L92.1Very high91.7Very high1 Ų170.4 Ų70.41%0.00535%0.353CS..Hα-helixtrans-65.6-45.1-179.7-65.2-176000112L309 L331 F335 F354 K355 K360 K361 F362 F366L309-L358 HydrophobicContact CB-CD2 4.5Å; L309-L358 HydrophobicContact CD1-CD1 4.04Å; L309-L358 HydrophobicContact CD1-CD2 3.74Å; L331-L358 HydrophobicContact CD1-CD1 3.75Å; F335-L358 HydrophobicContact CE2-CD1 4.39Å; F335-L358 HydrophobicContact CZ-CD1 4.08Å; F354-L358 HydrophobicContact CD1-CD1 4.42Å; F354-L358 HydrophobicContact CD2-CD1 4.45Å; F354-L358 HydrophobicContact CD2-CG 4.17Å; F354-L358 HydrophobicContact CE1-CD1 3.93Å; F354-L358 HydrophobicContact CE2-CD1 3.94Å; F354-L358 HydrophobicContact CE2-CD2 3.8Å; F354-L358 HydrophobicContact CE2-CG 3.81Å; F354-L358 HydrophobicContact CZ-CD1 3.66Å; F354-L358 HydrophobicContact CZ-CD2 4.14Å; F354-L358 HydrophobicContact CZ-CG 4.07Å; F354-L358 WeakPolarHBondContact O-CG 3.27Å; F354-L358 PolarHBondContact O-N 2.62Å; K355-L358 PolarHBondContact O-N 3.35Å; K355-L358 VanDerWaalsContact O-N 3.16Å; L358-K360 VanDerWaalsContact C-N 3.28Å; L358-K360 PolarHBondContact O-N 3.38Å; L358-K361 PolarHBondContact O-N 2.99Å; L358-F362 HydrophobicContact CB-CD2 4.39Å; L358-F362 HydrophobicContact CD2-CD2 3.86Å; L358-F362 HydrophobicContact CD2-CE2 3.62Å; L358-F362 PolarHBondContact O-N 3.26Å; L358-F366 HydrophobicContact CB-CE2 3.86Å; L358-F366 HydrophobicContact CB-CZ 3.89Å; L358-F366 HydrophobicContact CD1-CZ 3.91Å
359T91.4Very high90.1Very high56 Ų5673.8 Ų73.834%0.34438%0.377SS..Hα-helixtrans-57.5-42.7174.8-63.20000111.2K355 C363 W364K355-T359 PolarHBondContact O-N 3.31Å; K355-T359 PolarHBondContact O-OG1 2.81Å; T359-C363 WeakPolarHBondContact O-CA 3.42Å; T359-C363 PolarHBondContact O-N 3.43Å; T359-W364 WeakPolarHBondContact CA-O 3.36Å; T359-W364 WeakPolarHBondContact CB-O 3.13Å; T359-W364 WeakPolarHBondContact CG2-O 3.4Å; T359-W364 PolarHBondContact OG1-O 2.98Å
360K92.3Very high88.3Confident183 Ų18372.2 Ų72.280%0.79638%0.375SS*.Hα-helixtrans-69.1-39.5177.4-176.9178.2177.7-179.20113.2A356 H357 L358A356-K360 VanDerWaalsContact O-CB 3.29Å; A356-K360 WeakPolarHBondContact O-CB 3.42Å; A356-K360 PolarHBondContact O-N 2.83Å; A356-K360 VanDerWaalsContact O-N 3.07Å; H357-K360 PolarHBondContact O-N 3.07Å; L358-K360 VanDerWaalsContact C-N 3.28Å; L358-K360 PolarHBondContact O-N 3.38Å
361K88.7Confident86.1Confident94 Ų9476 Ų7641%0.40940%0.398SS..Hα-helixtrans-79.5-40.3-173.7-176.6174.7174.5-171.60112.5G310 H357 L358G310-K361 PolarHBondContact O-NZ 3.19Å; H357-K361 VanDerWaalsContact O-CB 3.31Å; H357-K361 WeakPolarHBondContact O-CB 3.32Å; H357-K361 PolarHBondContact O-N 3.35Å; L358-K361 PolarHBondContact O-N 2.99Å
362F86.3Confident84Confident29 Ų2983.8 Ų83.813%0.12744%0.439CS..Hα-helixtrans-114.1-2.4-171-58.2-67.4000114.1L309 F317 L358 W364L309-F362 HydrophobicContact CB-CE2 4.35Å; L309-F362 HydrophobicContact CB-CZ 4.46Å; L309-F362 WeakPolarHBondContact O-CZ 3.27Å; F317-F362 HydrophobicContact CD2-CD1 4.13Å; F317-F362 HydrophobicContact CD2-CE1 4.02Å; F317-F362 HydrophobicContact CE2-CD1 4Å; F317-F362 AromaticContact CE2-CE1 3.47Å; F317-F362 HydrophobicContact CE2-CE1 3.47Å; F317-F362 VanDerWaalsContact CE2-CE1 3.47Å; F317-F362 AromaticContact CE2-CZ 3.92Å; F317-F362 HydrophobicContact CE2-CZ 3.92Å; F317-F362 HydrophobicContact CZ-CE1 4.37Å; F317-F362 HydrophobicContact CZ-CZ 4.42Å; L358-F362 HydrophobicContact CB-CD2 4.39Å; L358-F362 HydrophobicContact CD2-CD2 3.86Å; L358-F362 HydrophobicContact CD2-CE2 3.62Å; L358-F362 PolarHBondContact O-N 3.26Å; F362-W364 HydrophobicContact CB-CD2 3.81Å; F362-W364 HydrophobicContact CB-CG 3.87Å; F362-W364 HydrophobicContact CB-CZ2 4.22Å; F362-W364 HydrophobicContact CD2-CZ3 4.49Å; F362-W364 HydrophobicContact CG-CD2 4.47Å; F362-W364 HydrophobicContact CG-CZ2 4.27Å; F362-W364 PolarHBondContact O-N 3.07Å
363C86.4Confident81.9Confident115 Ų11584.7 Ų84.778%0.77746%0.456SS*.  trans5829.3-174.5-56.80000113.2T359T359-C363 WeakPolarHBondContact O-CA 3.42Å; T359-C363 PolarHBondContact O-N 3.43Å
364W87Confident80.2Confident29 Ų2980.1 Ų80.111%0.1145%0.447CS..  trans-80.7133.4175.8-64.7-10.8000111.2F317 L327 L331 T359 F362 F366F317-W364 HydrophobicContact CB-CZ2 4.17Å; F317-W364 HydrophobicContact CD1-CH2 4.08Å; F317-W364 AromaticContact CD1-CZ2 3.87Å; F317-W364 HydrophobicContact CD1-CZ2 3.87Å; F317-W364 HydrophobicContact CD2-CZ2 4.2Å; F317-W364 HydrophobicContact CE1-CH2 4Å; F317-W364 HydrophobicContact CE1-CZ2 4.22Å; F317-W364 HydrophobicContact CG-CH2 4.44Å; F317-W364 AromaticContact CG-CZ2 3.84Å; F317-W364 HydrophobicContact CG-CZ2 3.84Å; F317-W364 HydrophobicContact CZ-CH2 4.29Å; L327-W364 HydrophobicContact CB-CH2 4.15Å; L327-W364 HydrophobicContact CB-CZ3 4.33Å; L327-W364 HydrophobicContact CD1-CH2 4.21Å; L331-W364 HydrophobicContact CD1-CZ3 3.99Å; T359-W364 WeakPolarHBondContact CA-O 3.36Å; T359-W364 WeakPolarHBondContact CB-O 3.13Å; T359-W364 WeakPolarHBondContact CG2-O 3.4Å; T359-W364 PolarHBondContact OG1-O 2.98Å; F362-W364 HydrophobicContact CB-CD2 3.81Å; F362-W364 HydrophobicContact CB-CG 3.87Å; F362-W364 HydrophobicContact CB-CZ2 4.22Å; F362-W364 HydrophobicContact CD2-CZ3 4.49Å; F362-W364 HydrophobicContact CG-CD2 4.47Å; F362-W364 HydrophobicContact CG-CZ2 4.27Å; F362-W364 PolarHBondContact O-N 3.07Å; W364-F366 HydrophobicContact CB-CE1 4.38Å; W364-F366 HydrophobicContact CB-CE2 4.12Å; W364-F366 HydrophobicContact CB-CZ 3.98Å; W364-F366 HydrophobicContact CD2-CZ 4.5Å; W364-F366 HydrophobicContact CE3-CE1 4Å; W364-F366 AromaticContact CE3-CZ 3.67Å; W364-F366 HydrophobicContact CE3-CZ 3.67Å
365D85.6Confident78.7Confident94 Ų9485.2 Ų85.250%0.50348%0.481SS..  trans-98.6120.5170.9-169-7.2000109.3D367 A368D365-D367 PolarHBondContact OD1-N 2.88Å; D365-A368 HydrophobicContact CB-CB 4.29Å; D365-A368 PolarHBondContact OD1-N 3.43Å
366F87.9Confident77.8Confident6 Ų689.6 Ų89.63%0.02651%0.511CS..SBendtrans-107.94.9177.1-52.4-82000112.2T328 L331 Q332 F335 K355 L358 W364T328-F366 HydrophobicContact CG2-CD1 4.27Å; T328-F366 HydrophobicContact CG2-CE1 4.36Å; L331-F366 HydrophobicContact CB-CD1 4.26Å; L331-F366 HydrophobicContact CB-CE1 3.67Å; L331-F366 HydrophobicContact CB-CZ 4.42Å; L331-F366 HydrophobicContact CD1-CE1 4.35Å; Q332-F366 HydrophobicContact CB-CB 4.46Å; Q332-F366 HydrophobicContact CB-CD1 4.34Å; Q332-F366 WeakPolarHBondContact CG-O 3.31Å; F335-F366 HydrophobicContact CD2-CB 4.18Å; F335-F366 AromaticContact CD2-CD1 3.99Å; F335-F366 HydrophobicContact CD2-CD1 3.99Å; F335-F366 HydrophobicContact CD2-CD2 4.1Å; F335-F366 HydrophobicContact CD2-CE1 4.3Å; F335-F366 HydrophobicContact CD2-CE2 4.4Å; F335-F366 AromaticContact CD2-CG 3.85Å; F335-F366 HydrophobicContact CD2-CG 3.85Å; F335-F366 HydrophobicContact CD2-CZ 4.45Å; F335-F366 AromaticContact CE2-CD1 4Å; F335-F366 HydrophobicContact CE2-CD1 4Å; F335-F366 AromaticContact CE2-CD2 3.94Å; F335-F366 HydrophobicContact CE2-CD2 3.94Å; F335-F366 AromaticContact CE2-CE1 3.84Å; F335-F366 HydrophobicContact CE2-CE1 3.84Å; F335-F366 AromaticContact CE2-CE2 3.77Å; F335-F366 HydrophobicContact CE2-CE2 3.77Å; F335-F366 HydrophobicContact CE2-CG 4.02Å; F335-F366 AromaticContact CE2-CZ 3.68Å; F335-F366 HydrophobicContact CE2-CZ 3.68Å; K355-F366 HydrophobicContact CD-CB 4.44Å; K355-F366 HydrophobicContact CD-CD2 4.43Å; K355-F366 HydrophobicContact CG-CD2 3.79Å; K355-F366 HydrophobicContact CG-CE2 4.3Å; L358-F366 HydrophobicContact CB-CE2 3.86Å; L358-F366 HydrophobicContact CB-CZ 3.89Å; L358-F366 HydrophobicContact CD1-CZ 3.91Å; W364-F366 HydrophobicContact CB-CE1 4.38Å; W364-F366 HydrophobicContact CB-CE2 4.12Å; W364-F366 HydrophobicContact CB-CZ 3.98Å; W364-F366 HydrophobicContact CD2-CZ 4.5Å; W364-F366 HydrophobicContact CE3-CE1 4Å; W364-F366 AromaticContact CE3-CZ 3.67Å; W364-F366 HydrophobicContact CE3-CZ 3.67Å
367D83.9Confident76.9Confident120 Ų12093.1 Ų93.164%0.64253%0.526SS*.SBendtrans-106.8-9.3176.2-65.7-57.1000111.8K355 D365K355-D367 VanDerWaalsContact CE-OD2 3.28Å; K355-D367 WeakPolarHBondContact CE-OD2 3.41Å; K355-D367 IonicContact NZ-OD1 2.67Å; K355-D367 PolarHBondContact NZ-OD1 2.9Å; K355-D367 IonicContact NZ-OD2 3.67Å; K355-D367 PolarHBondContact NZ-OD2 3.43Å; D365-D367 PolarHBondContact OD1-N 2.88Å
368A73.3Confident76.2Confident43 Ų4395.1 Ų95.136%0.35554%0.542SS..SBendtrans-65131173.300000111.3Q332 D365 L370Q332-A368 PolarHBondContact NE2-O 3.27Å; D365-A368 HydrophobicContact CB-CB 4.29Å; D365-A368 PolarHBondContact OD1-N 3.43Å; A368-L370 PolarHBondContact O-N 3.38Å
369D63.7Low75.6Confident151 Ų151103.9 Ų103.981%0.80758%0.583SS**  trans-66.4131.3168.7-70.7-41.2000109.1D371D369-D371 PolarHBondContact O-N 3.41Å
370L59.7Low75Confident100 Ų100105.9 Ų105.952%0.52459%0.591SS.*  trans-70.9114.4169.4-63.7170.5000107.1A368 D372 C373A368-L370 PolarHBondContact O-N 3.38Å; L370-D372 PolarHBondContact O-N 3.2Å; L370-C373 PolarHBondContact O-N 3.02Å
371D52.2Low74.5Confident148 Ų148101.7 Ų101.779%0.79158%0.583SS**G310 helixtrans-50.5-20.6-178.3-84.6-31.1000113.7D369 C373 A374D369-D371 PolarHBondContact O-N 3.41Å; D371-C373 PolarHBondContact O-N 3.4Å; D371-A374 WeakPolarHBondContact O-CB 3.38Å; D371-A374 PolarHBondContact O-N 2.91Å
372D54Low73.5Confident163 Ų163107 Ų10787%0.87261%0.609SS**G310 helixtrans-65.4-12.4177.6-72.3-20.9000114.8L370L370-D372 PolarHBondContact O-N 3.2Å
373C52.8Low72.8Confident117 Ų117109.4 Ų109.479%0.79164%0.642SS**G310 helixtrans-104.26.9175.9-71.50000113.9L370 D371L370-C373 PolarHBondContact O-N 3.02Å; D371-C373 PolarHBondContact O-N 3.4Å
374A61.6Low71.6Confident63 Ų63107.8 Ų107.852%0.52163%0.628SS.*SBendtrans-66.3134.4175.400000110.4D371 V376D371-A374 WeakPolarHBondContact O-CB 3.38Å; D371-A374 PolarHBondContact O-N 2.91Å; A374-V376 PolarHBondContact O-N 3Å
375P65.9Low70.4Confident114 Ų114112.4 Ų112.474%0.7466%0.66SS**  trans-60135.7172.626.3-33.1000109.2V377P375-V377 PolarHBondContact O-N 3.37Å
376V77.5Confident69.4Low133 Ų133113.6 Ų113.681%0.80667%0.67SS**  trans-64.1109.9173.1178.80000107.9A374 V378A374-V376 PolarHBondContact O-N 3Å; V376-V378 HydrophobicContact CG1-CG2 4.2Å; V376-V378 PolarHBondContact O-N 3.16Å
377V76.8Confident67.8Low133 Ų133124 Ų12481%0.80673%0.726SS**  trans-73.5109.5175.2-176.80000107.7P375P375-V377 PolarHBondContact O-N 3.37Å
378V81.2Confident67Low105 Ų105124.2 Ų124.264%0.63673%0.73SS**PPolyproline II helixtrans-97116.8174.4-175.90000108V376 L380V376-V378 HydrophobicContact CG1-CG2 4.2Å; V376-V378 PolarHBondContact O-N 3.16Å; V378-L380 PolarHBondContact O-N 3.34Å
379E80.3Confident66.7Low185 Ų185128.5 Ų128.586%0.86475%0.75SS**PPolyproline II helixtrans-67.1120.8170.3-68.5-166.5167.200109.4
380L78.9Confident66.8Low98 Ų98127.2 Ų127.251%0.51375%0.747SS.*PPolyproline II helixtrans-78.8140.3175.3-64.7175.2000109.6V378 V384 V386V378-L380 PolarHBondContact O-N 3.34Å; L380-V384 HydrophobicContact CB-CB 4.26Å; L380-V384 HydrophobicContact CD1-CB 4.48Å; L380-V384 HydrophobicContact CD1-CG1 4.16Å; L380-V386 HydrophobicContact CD1-CG2 3.79Å
381P80.8Confident67.2Low95 Ų95128.8 Ų128.862%0.61776%0.76SS**PPolyproline II helixtrans-54.9145.2173.1-22.231.1000111.8G383 V384P381-G383 PolarHBondContact O-N 3.15Å; P381-G383 VanDerWaalsContact O-N 3.1Å; P381-V384 PolarHBondContact O-N 2.74Å
382E69Low68.2Low207 Ų207127.6 Ų127.697%0.96776%0.758SS**THydrogen-bonded Turntrans-52.1118.7176.1-71.4-175.9165.100110.6
383G70.6Confident69.1Low78 Ų78125.3 Ų125.380%0.80475%0.75SS**THydrogen-bonded Turntrans109.50.6177.800000116.4P381 T385P381-G383 PolarHBondContact O-N 3.15Å; P381-G383 VanDerWaalsContact O-N 3.1Å; G383-T385 PolarHBondContact O-N 2.81Å
384V61.6Low70.3Confident81 Ų81125.9 Ų125.949%0.49175%0.747SS.*  trans-83.8103.4170.8-177.90000110L380 P381L380-V384 HydrophobicContact CB-CB 4.26Å; L380-V384 HydrophobicContact CD1-CB 4.48Å; L380-V384 HydrophobicContact CD1-CG1 4.16Å; P381-V384 PolarHBondContact O-N 2.74Å
385T62Low71Confident126 Ų126130.7 Ų130.777%0.77377%0.765SS**  trans-81.6123.8166.143.80000109.4G383G383-T385 PolarHBondContact O-N 2.81Å
386V63.7Low71.4Confident119 Ų119132.1 Ų132.172%0.72177%0.767SS**  trans-85115.6169.6-162.80000106.4L380L380-V386 HydrophobicContact CD1-CG2 3.79Å
387D54.5Low70.8Confident225 Ų225132 Ų132100%1.20376%0.763SS**  trans-610177.7-86.2-23.3000112.9

Retrieved 387 of 387 residues in 201.1 ms (Link to these results)

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