A0A2R9BVZ2_PANPA Loading...

GPN-loop GTPase 2

Small GTPase required for proper localization of RNA polymerase II and III (RNAPII and RNAPIII). May act at an RNAP assembly step prior to nuclear import.

AlphaFold DB , UniProt , Accession A0A2R9BVZ2, Species PANPA (Pan paniscus, Pygmy chimpanzee), Gene GPN2, Length 310 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33.2Very low64.4Low243 Ų24377 Ų77100%1.19752%0.522SS*.  0104.80-76.5-179.2164.700106.9G3M1-G3 PolarHBondContact O-N 3.35Å
2A37.6Very low67.2Low107 Ų10770.6 Ų70.688%0.88448%0.478SS*.  trans-67.4111.8172.900000106.8A4A2-A4 PolarHBondContact O-N 3.06Å
3G39.8Very low69.6Low70 Ų7065.2 Ų65.272%0.72244%0.441SS*.PPolyproline II helixtrans-56.4133175.300000108.8M1 A5M1-G3 PolarHBondContact O-N 3.35Å; G3-A5 PolarHBondContact O-N 3.17Å
4A46.3Very low71.6Confident98 Ų9860.5 Ų60.581%0.8141%0.41SS*.PPolyproline II helixtrans-49.5128.4171.200000108.1A2A2-A4 PolarHBondContact O-N 3.06Å
5A48.9Very low73.2Confident66 Ų6656.5 Ų56.555%0.54538%0.383SS..PPolyproline II helixtrans-52.6136.6175.900000108.3G3 T7G3-A5 PolarHBondContact O-N 3.17Å; A5-T7 PolarHBondContact O-N 3.24Å; A5-T7 VanDerWaalsContact O-N 3.11Å
6P55.9Low74.6Confident82 Ų8253.2 Ų53.253%0.53236%0.361SS..PPolyproline II helixtrans-53.6125.417721.3-30.5000108.5T8P6-T8 PolarHBondContact O-N 2.95Å
7T73.1Confident75.6Confident108 Ų10851.2 Ų51.266%0.66335%0.348SS*.SBendtrans-63.3-37.2-178.6440000111.1A5 R103A5-T7 PolarHBondContact O-N 3.24Å; A5-T7 VanDerWaalsContact O-N 3.11Å; T7-R103 PolarHBondContact O-NH1 2.84Å
8T88.4Confident76.5Confident33 Ų3353.1 Ų53.120%0.20236%0.359CS..  trans-86.3126.1-177.7-45.90000110.9P6 F10 D135 R137P6-T8 PolarHBondContact O-N 2.95Å; T8-F10 HydrophobicContact CG2-CE1 4.39Å; T8-F10 HydrophobicContact CG2-CE2 4Å; T8-F10 HydrophobicContact CG2-CZ 3.87Å; T8-D135 WeakPolarHBondContact CA-O 3.35Å; T8-D135 WeakPolarHBondContact CA-OD2 3.37Å; T8-D135 VanDerWaalsContact CB-OD2 3.31Å; T8-D135 WeakPolarHBondContact CB-OD2 3.47Å; T8-D135 PolarHBondContact N-OD2 3.42Å; T8-D135 PolarHBondContact OG1-OD1 3.29Å; T8-D135 PolarHBondContact OG1-OD2 3.43Å; T8-R137 HydrophobicContact CG2-CG 3.94Å
9A92.8Very high77.2Confident2 Ų253.2 Ų53.22%0.01737%0.37CS..EExtended strand (participates in β ladder)trans-101.2153.1171.600000110F107 D135 L136 R137A9-F107 HydrophobicContact CB-CD2 4.05Å; A9-F107 HydrophobicContact CB-CE2 3.74Å; A9-D135 PolarHBondContact N-O 3.44Å; A9-L136 HydrophobicContact CB-CD1 4.16Å; A9-L136 HydrophobicContact CB-CG 3.89Å; A9-L136 CarbonylContact O-C 3.58Å; A9-L136 WeakPolarHBondContact O-CA 3.08Å; A9-R137 PolarHBondContact O-N 3.28Å
10F95.8Very high78.1Confident38 Ų3850.6 Ų50.617%0.16735%0.352CS..EExtended strand (participates in β ladder)trans-127.2153.2-179-61.3-95.9000109.4T8 Y106 F107 R137 N259 Y261T8-F10 HydrophobicContact CG2-CE1 4.39Å; T8-F10 HydrophobicContact CG2-CE2 4Å; T8-F10 HydrophobicContact CG2-CZ 3.87Å; F10-Y106 HydrophobicContact CB-CD2 4.11Å; F10-Y106 HydrophobicContact CB-CE2 4.11Å; F10-Y106 WeakPolarHBondContact O-CA 3.46Å; F10-F107 PolarHBondContact O-N 3.49Å; F10-R137 WeakPolarHBondContact CA-O 3.27Å; F10-R137 HydrophobicContact CD1-CB 3.85Å; F10-R137 HydrophobicContact CE1-CB 4.12Å; F10-R137 HydrophobicContact CE1-CG 4.45Å; F10-N259 HydrophobicContact CD1-CB 4.38Å; F10-Y261 HydrophobicContact CB-CD2 3.83Å; F10-Y261 HydrophobicContact CD1-CD2 4.26Å; F10-Y261 AromaticContact CD2-CD2 3.68Å; F10-Y261 HydrophobicContact CD2-CD2 3.68Å; F10-Y261 HydrophobicContact CD2-CE2 4.28Å; F10-Y261 HydrophobicContact CE2-CD2 4.29Å; F10-Y261 AromaticContact CG-CD2 3.67Å; F10-Y261 HydrophobicContact CG-CD2 3.67Å; F10-Y261 HydrophobicContact CG-CG 4.48Å
11G96.6Very high78.9Confident0 Ų049 Ų490%034%0.344CS..EExtended strand (participates in β ladder)trans-176.2-171.5177.600000115.2F107 R137 L138 T139 N259G11-F107 CarbonylContact C-O 3.6Å; G11-F107 WeakPolarHBondContact CA-O 3.34Å; G11-R137 PolarHBondContact N-O 3.45Å; G11-L138 WeakPolarHBondContact O-CA 3.21Å; G11-T139 PolarHBondContact O-N 2.8Å; G11-T139 VanDerWaalsContact O-N 3.13Å; G11-N259 PolarHBondContact O-ND2 3.28Å
12Q98.3Very high81.8Confident0 Ų038.1 Ų38.10%029%0.29CS..EExtended strand (participates in β ladder)trans-127.3128.7-178-57176.928.100109.6V14 Y25 Y106 F107 L108 F109 T139 V141 V255Q12-V14 HydrophobicContact CB-CG2 4.32Å; Q12-Y25 VanDerWaalsContact OE1-CE1 3.3Å; Q12-Y25 PolarHBondContact OE1-OH 2.91Å; Q12-Y106 HydrophobicContact CG-CE1 3.84Å; Q12-Y106 PolarHBondContact NE2-OH 2.93Å; Q12-Y106 VanDerWaalsContact NE2-OH 3.08Å; Q12-F107 PolarHBondContact N-O 3.23Å; Q12-L108 HydrophobicContact CB-CD2 3.78Å; Q12-L108 HydrophobicContact CG-CD2 3.86Å; Q12-F109 PolarHBondContact O-N 3.49Å; Q12-T139 CarbonylContact C-O 3.55Å; Q12-T139 WeakPolarHBondContact CA-O 3.4Å; Q12-V141 HydrophobicContact CB-CG2 4Å; Q12-V141 HydrophobicContact CG-CG2 4.17Å; Q12-V255 HydrophobicContact CG-CG1 3.56Å
13A97.8Very high84.6Confident0 Ų034.4 Ų34.40%026%0.256CS..EExtended strand (participates in β ladder)trans-93.8104167.100000108.2I15 F128 T139 A140 V141 L171A13-I15 PolarHBondContact O-N 3.22Å; A13-F128 HydrophobicContact CB-CD1 4.35Å; A13-F128 HydrophobicContact CB-CE1 3.78Å; A13-F128 HydrophobicContact CB-CE2 4.25Å; A13-F128 HydrophobicContact CB-CZ 3.72Å; A13-T139 PolarHBondContact N-O 3.43Å; A13-A140 CarbonylContact O-C 3.6Å; A13-A140 WeakPolarHBondContact O-CA 3.24Å; A13-V141 PolarHBondContact O-N 3.18Å; A13-L171 HydrophobicContact CB-CD1 4.13Å
14V97.8Very high87.3Confident0 Ų034.8 Ų34.80%025%0.245CC..EExtended strand (participates in β ladder)trans-88.7108.4-173.6-173.10000108.8Q12 K22 Y25 F109 C111 L143Q12-V14 HydrophobicContact CB-CG2 4.32Å; V14-K22 HydrophobicContact CG1-CB 3.84Å; V14-K22 HydrophobicContact CG1-CG 4.05Å; V14-Y25 HydrophobicContact CB-CD1 4.4Å; V14-Y25 HydrophobicContact CG1-CD1 3.69Å; V14-Y25 HydrophobicContact CG1-CE1 4.31Å; V14-Y25 HydrophobicContact CG1-CG 4.46Å; V14-Y25 HydrophobicContact CG2-CD1 3.74Å; V14-Y25 HydrophobicContact CG2-CE1 3.72Å; V14-F109 WeakPolarHBondContact CB-O 3.35Å; V14-F109 PolarHBondContact N-O 3.37Å; V14-C111 WeakPolarHBondContact O-CB 3.39Å; V14-C111 PolarHBondContact O-N 3.49Å; V14-C111 VanDerWaalsContact O-N 3.15Å; V14-C111 PolarHBondContact O-SG 2.88Å; V14-L143 HydrophobicContact CG1-CD1 3.49Å; V14-L143 VanDerWaalsContact CG1-CD1 3.49Å
15I96.5Very high89.7Confident0 Ų030.2 Ų30.20%021%0.206CC..EExtended strand (participates in β ladder)trans-124.7166.1-173.561.5174.2000111.3A13 C111 A140 V141 H142 L143 T165 V169A13-I15 PolarHBondContact O-N 3.22Å; I15-C111 HydrophobicContact CG2-CB 3.92Å; I15-A140 HydrophobicContact CD1-CB 4.11Å; I15-V141 PolarHBondContact N-O 3.45Å; I15-H142 HydrophobicContact CD1-CB 4.31Å; I15-H142 HydrophobicContact CG1-CB 3.94Å; I15-H142 CarbonylContact O-C 3.59Å; I15-H142 WeakPolarHBondContact O-CA 3.29Å; I15-L143 PolarHBondContact O-N 3.05Å; I15-T165 HydrophobicContact CD1-CG2 3.56Å; I15-V169 HydrophobicContact CD1-CG2 4.15Å
16G94.5Very high92Very high4 Ų427.1 Ų27.14%0.04118%0.181CC..  trans138.3166.417800000113.2K22G16-K22 WeakPolarHBondContact O-CE 3.5Å; G16-K22 PolarHBondContact O-NZ 3.28Å
17P92.7Very high94Very high20 Ų2025.3 Ų25.313%0.1317%0.166CC..SBendtrans-58.5165.5-17421.5-33.3000113.8G19 S20 K22 G113 V115 L143P17-G19 PolarHBondContact O-N 2.84Å; P17-S20 WeakPolarHBondContact O-CB 3.48Å; P17-S20 PolarHBondContact O-N 2.97Å; P17-S20 PolarHBondContact O-OG 3.39Å; P17-K22 PolarHBondContact O-NZ 3.48Å; P17-G113 CarbonylContact C-O 3.52Å; P17-G113 WeakPolarHBondContact CA-O 3.45Å; P17-V115 HydrophobicContact CB-CG2 3.72Å; P17-L143 WeakPolarHBondContact CD-O 3.12Å
18P91Very high95.1Very high84 Ų8420.7 Ų20.755%0.54514%0.14SC..THydrogen-bonded Turntrans-60138.9175.5-19.534.6000109.9S20 G113P18-S20 VanDerWaalsContact C-N 3.29Å; P18-S20 PolarHBondContact O-N 2.88Å; P18-G113 WeakPolarHBondContact CD-O 3.35Å; P18-G113 WeakPolarHBondContact CG-O 3.42Å; P18-G113 VanDerWaalsContact N-O 3.16Å
19G90.8Very high95.6Very high55 Ų5519.1 Ų19.157%0.56713%0.131SC*.THydrogen-bonded Turntrans79.2-2.3179.600000116P17 G21 K179P17-G19 PolarHBondContact O-N 2.84Å; G19-G21 PolarHBondContact O-N 2.64Å; G19-G21 VanDerWaalsContact O-N 3.17Å; G19-K179 VanDerWaalsContact O-CE 3.29Å; G19-K179 WeakPolarHBondContact O-CE 3.35Å; G19-K179 PolarHBondContact O-NZ 3.25Å
20S93.9Very high95.8Very high2 Ų219 Ų191%0.01413%0.13CC..SBendtrans-69.6-6.8176.268.40000114.8P17 P18 L143 S178P17-S20 WeakPolarHBondContact O-CB 3.48Å; P17-S20 PolarHBondContact O-N 2.97Å; P17-S20 PolarHBondContact O-OG 3.39Å; P18-S20 VanDerWaalsContact C-N 3.29Å; P18-S20 PolarHBondContact O-N 2.88Å; S20-L143 WeakPolarHBondContact CB-O 3.46Å; S20-L143 PolarHBondContact OG-O 3.36Å; S20-S178 WeakPolarHBondContact O-CB 3.44Å; S20-S178 PolarHBondContact O-OG 3.48Å
21G94.5Very high95.8Very high18 Ų1822.7 Ų22.719%0.18615%0.147CC..  trans9222.2175.100000115.6G19 T23 T24 Y25G19-G21 PolarHBondContact O-N 2.64Å; G19-G21 VanDerWaalsContact O-N 3.17Å; G21-T23 PolarHBondContact O-N 3.45Å; G21-T24 WeakPolarHBondContact O-CB 3.39Å; G21-T24 PolarHBondContact O-N 3.38Å; G21-Y25 WeakPolarHBondContact O-CB 3.4Å; G21-Y25 PolarHBondContact O-N 2.79Å
22K95.9Very high95.7Very high13 Ų1323.2 Ų23.26%0.05715%0.15CC..Hα-helixtrans-50.7-52.5177.7-62.1-178.1-66.9-66.20113.9V14 G16 P17 T24 Y25 C26 D110 C111V14-K22 HydrophobicContact CG1-CB 3.84Å; V14-K22 HydrophobicContact CG1-CG 4.05Å; G16-K22 WeakPolarHBondContact O-CE 3.5Å; G16-K22 PolarHBondContact O-NZ 3.28Å; P17-K22 PolarHBondContact O-NZ 3.48Å; K22-T24 VanDerWaalsContact C-N 3.35Å; K22-T24 PolarHBondContact O-N 3.37Å; K22-Y25 WeakPolarHBondContact O-CB 3.49Å; K22-Y25 PolarHBondContact O-N 2.92Å; K22-C26 PolarHBondContact O-N 3.35Å; K22-C26 PolarHBondContact O-SG 3.29Å; K22-D110 WeakPolarHBondContact CB-OD1 3.41Å; K22-C111 WeakPolarHBondContact CE-O 3.35Å
23T95.9Very high95.5Very high30 Ų3023.2 Ų23.218%0.18415%0.15CC..Hα-helixtrans-64.3-39178.8-51.90000112.1G21 Y25 C26 L27 N49 P53 Y54 D110G21-T23 PolarHBondContact O-N 3.45Å; T23-Y25 VanDerWaalsContact C-N 3.35Å; T23-C26 PolarHBondContact O-N 2.95Å; T23-L27 PolarHBondContact O-N 2.82Å; T23-N49 PolarHBondContact OG1-ND2 3.17Å; T23-P53 VanDerWaalsContact CG2-CD 3.45Å; T23-P53 HydrophobicContact CG2-CG 3.8Å; T23-Y54 HydrophobicContact CG2-CD1 4.42Å; T23-Y54 HydrophobicContact CG2-CE1 3.6Å; T23-D110 WeakPolarHBondContact CA-OD2 3.18Å; T23-D110 VanDerWaalsContact CB-OD2 3.27Å; T23-D110 WeakPolarHBondContact CB-OD2 3.49Å; T23-D110 WeakPolarHBondContact CG2-OD2 3.45Å; T23-D110 PolarHBondContact N-OD1 3.47Å; T23-D110 PolarHBondContact OG1-OD2 3.08Å
24T95.9Very high95.4Very high78 Ų7827.7 Ų27.748%0.47917%0.167SC..Hα-helixtrans-64.8-39.8174.5-49.20000111.6G21 K22 L27 G28 I242G21-T24 WeakPolarHBondContact O-CB 3.39Å; G21-T24 PolarHBondContact O-N 3.38Å; K22-T24 VanDerWaalsContact C-N 3.35Å; K22-T24 PolarHBondContact O-N 3.37Å; T24-L27 PolarHBondContact O-N 3.41Å; T24-G28 PolarHBondContact O-N 3.39Å; T24-I242 HydrophobicContact CG2-CG2 4.09Å
25Y97.5Very high95.1Very high2 Ų230.6 Ų30.61%0.00819%0.191CC..Hα-helixtrans-63.1-46.2173.6173.6-91.9000111.5Q12 V14 G21 K22 T23 L27 G28 M29 V141 L143 L176 L240 I242 V251Q12-Y25 VanDerWaalsContact OE1-CE1 3.3Å; Q12-Y25 PolarHBondContact OE1-OH 2.91Å; V14-Y25 HydrophobicContact CB-CD1 4.4Å; V14-Y25 HydrophobicContact CG1-CD1 3.69Å; V14-Y25 HydrophobicContact CG1-CE1 4.31Å; V14-Y25 HydrophobicContact CG1-CG 4.46Å; V14-Y25 HydrophobicContact CG2-CD1 3.74Å; V14-Y25 HydrophobicContact CG2-CE1 3.72Å; G21-Y25 WeakPolarHBondContact O-CB 3.4Å; G21-Y25 PolarHBondContact O-N 2.79Å; K22-Y25 WeakPolarHBondContact O-CB 3.49Å; K22-Y25 PolarHBondContact O-N 2.92Å; T23-Y25 VanDerWaalsContact C-N 3.35Å; Y25-L27 VanDerWaalsContact C-N 3.29Å; Y25-L27 PolarHBondContact O-N 3.47Å; Y25-G28 PolarHBondContact O-N 3.19Å; Y25-M29 HydrophobicContact CD1-CB 4.47Å; Y25-M29 HydrophobicContact CE1-CB 4.17Å; Y25-M29 HydrophobicContact CE1-CG 4.33Å; Y25-M29 HydrophobicContact CE2-CB 4.47Å; Y25-M29 HydrophobicContact CE2-CE 3.89Å; Y25-M29 WeakPolarHBondContact O-CB 3.49Å; Y25-M29 PolarHBondContact O-N 3.33Å; Y25-M29 WeakPolarHBondContact OH-CE 3.41Å; Y25-V141 HydrophobicContact CE1-CG1 4.12Å; Y25-V141 HydrophobicContact CE2-CG1 4.45Å; Y25-L143 HydrophobicContact CD1-CD1 4.47Å; Y25-L143 HydrophobicContact CD2-CD2 4.42Å; Y25-L143 HydrophobicContact CG-CD1 4.34Å; Y25-L143 HydrophobicContact CG-CD2 4.17Å; Y25-L176 HydrophobicContact CD2-CD1 4.42Å; Y25-L176 HydrophobicContact CE2-CD1 3.87Å; Y25-L240 HydrophobicContact CD2-CD2 3.55Å; Y25-L240 HydrophobicContact CE2-CD2 3.97Å; Y25-I242 HydrophobicContact CD2-CD1 4.06Å; Y25-V251 HydrophobicContact CE2-CG1 4.18Å
26C97.4Very high94.8Very high0 Ų030.7 Ų30.70%019%0.191CC..Hα-helixtrans-58.5-42.3177.1-68.20000111.6K22 T23 S30 V42 Y54 D110K22-C26 PolarHBondContact O-N 3.35Å; K22-C26 PolarHBondContact O-SG 3.29Å; T23-C26 PolarHBondContact O-N 2.95Å; C26-S30 WeakPolarHBondContact O-CB 3.31Å; C26-S30 PolarHBondContact O-N 3.09Å; C26-S30 PolarHBondContact O-OG 2.98Å; C26-V42 HydrophobicContact CB-CG1 4.2Å; C26-Y54 HydrophobicContact CB-CD1 4.34Å; C26-Y54 HydrophobicContact CB-CE1 3.82Å; C26-D110 HydrophobicContact CB-CB 4.5Å
27L97.1Very high94.6Very high44 Ų4432.9 Ų32.923%0.2321%0.214CC..Hα-helixtrans-58.5-62.7173.2176.562.5000111.2T23 T24 Y25 M29 S30 E31 P53 Y54T23-L27 PolarHBondContact O-N 2.82Å; T24-L27 PolarHBondContact O-N 3.41Å; Y25-L27 VanDerWaalsContact C-N 3.29Å; Y25-L27 PolarHBondContact O-N 3.47Å; L27-M29 PolarHBondContact O-N 3.14Å; L27-S30 PolarHBondContact O-N 3.38Å; L27-S30 VanDerWaalsContact O-N 3.12Å; L27-S30 PolarHBondContact O-OG 2.63Å; L27-E31 HydrophobicContact CD1-CG 4.37Å; L27-E31 PolarHBondContact O-N 3.42Å; L27-P53 HydrophobicContact CB-CG 4.48Å; L27-P53 HydrophobicContact CD2-CB 4.13Å; L27-P53 HydrophobicContact CD2-CG 4.28Å; L27-Y54 HydrophobicContact CB-CD1 4.17Å
28G96.6Very high94.5Very high12 Ų1232.4 Ų32.412%0.12421%0.209CC..Hα-helixtrans-63.5-39.1-173.600000113.4T24 Y25 E31 F32T24-G28 PolarHBondContact O-N 3.39Å; Y25-G28 PolarHBondContact O-N 3.19Å; G28-E31 PolarHBondContact O-N 2.88Å; G28-F32 WeakPolarHBondContact O-CB 3.39Å; G28-F32 PolarHBondContact O-N 3.48Å
29M97.5Very high94.6Very high0 Ų035.1 Ų35.10%021%0.209CC..Hα-helixtrans-66.6-40.3174.8-17656.378.400111.2Y25 L27 E31 F32 L33 L108 I248 V251 L252Y25-M29 HydrophobicContact CD1-CB 4.47Å; Y25-M29 HydrophobicContact CE1-CB 4.17Å; Y25-M29 HydrophobicContact CE1-CG 4.33Å; Y25-M29 HydrophobicContact CE2-CB 4.47Å; Y25-M29 HydrophobicContact CE2-CE 3.89Å; Y25-M29 WeakPolarHBondContact O-CB 3.49Å; Y25-M29 PolarHBondContact O-N 3.33Å; Y25-M29 WeakPolarHBondContact OH-CE 3.41Å; L27-M29 PolarHBondContact O-N 3.14Å; M29-E31 PolarHBondContact O-N 3.42Å; M29-F32 PolarHBondContact O-N 3.28Å; M29-L33 HydrophobicContact CG-CD1 3.82Å; M29-L33 HydrophobicContact CG-CG 4.21Å; M29-L33 WeakPolarHBondContact O-CB 3.31Å; M29-L33 WeakPolarHBondContact O-CG 3.15Å; M29-L33 PolarHBondContact O-N 2.94Å; M29-L33 HydrophobicContact SD-CD1 4.09Å; M29-L33 HydrophobicContact SD-CD2 4.31Å; M29-L33 HydrophobicContact SD-CG 3.9Å; M29-L108 HydrophobicContact CB-CD1 4.16Å; M29-L108 HydrophobicContact CG-CD1 4.06Å; M29-L108 HydrophobicContact CG-CD2 4.08Å; M29-I248 HydrophobicContact CE-CG2 3.58Å; M29-I248 HydrophobicContact SD-CG2 3.85Å; M29-V251 HydrophobicContact CE-CG1 4.14Å; M29-L252 HydrophobicContact CE-CB 4.35Å; M29-L252 HydrophobicContact SD-CD1 4.34Å
30S97Very high94.9Very high0 Ų033.1 Ų33.10%019%0.185CC..Hα-helixtrans-63.9-40.9177.477.50000112.4C26 L27 R34C26-S30 WeakPolarHBondContact O-CB 3.31Å; C26-S30 PolarHBondContact O-N 3.09Å; C26-S30 PolarHBondContact O-OG 2.98Å; L27-S30 PolarHBondContact O-N 3.38Å; L27-S30 VanDerWaalsContact O-N 3.12Å; L27-S30 PolarHBondContact O-OG 2.63Å; S30-R34 WeakPolarHBondContact O-CB 3.45Å; S30-R34 VanDerWaalsContact O-CG 3.23Å; S30-R34 WeakPolarHBondContact O-CG 3.41Å; S30-R34 PolarHBondContact O-N 2.95Å; S30-R34 PolarHBondContact OG-NH1 3.41Å
31E95.9Very high95.1Very high114 Ų11433.1 Ų33.153%0.53319%0.186SC..Hα-helixtrans-65.4-44.9175.9-69.2-179.5160.700111.4L27 G28 M29 R34 A35L27-E31 HydrophobicContact CD1-CG 4.37Å; L27-E31 PolarHBondContact O-N 3.42Å; G28-E31 PolarHBondContact O-N 2.88Å; M29-E31 PolarHBondContact O-N 3.42Å; E31-R34 PolarHBondContact O-N 3.15Å; E31-A35 WeakPolarHBondContact O-CB 3.49Å; E31-A35 PolarHBondContact O-N 2.87Å
32F95.4Very high95.2Very high12 Ų1232.3 Ų32.35%0.05318%0.177CC..Hα-helixtrans-60.8-48.1177.7-174.9-99.1000111.9G28 M29 R34 A35 L36 K245 I248 Q249 L252 L271 M274G28-F32 WeakPolarHBondContact O-CB 3.39Å; G28-F32 PolarHBondContact O-N 3.48Å; M29-F32 PolarHBondContact O-N 3.28Å; F32-R34 PolarHBondContact O-N 2.89Å; F32-A35 WeakPolarHBondContact O-CB 3.44Å; F32-A35 PolarHBondContact O-N 3.18Å; F32-L36 HydrophobicContact CD1-CD1 3.94Å; F32-L36 HydrophobicContact CD1-CG 4.48Å; F32-L36 HydrophobicContact CE1-CD1 3.52Å; F32-L36 HydrophobicContact CE1-CG 4.21Å; F32-L36 HydrophobicContact CZ-CD1 4.19Å; F32-L36 WeakPolarHBondContact O-CG 3.46Å; F32-L36 PolarHBondContact O-N 2.74Å; F32-K245 HydrophobicContact CE2-CB 4.22Å; F32-I248 HydrophobicContact CB-CD1 4.42Å; F32-I248 HydrophobicContact CB-CG2 3.9Å; F32-I248 HydrophobicContact CD1-CB 4.47Å; F32-I248 HydrophobicContact CD1-CG2 3.56Å; F32-I248 HydrophobicContact CD2-CB 4.35Å; F32-I248 HydrophobicContact CD2-CD1 4.31Å; F32-I248 HydrophobicContact CD2-CG2 4.1Å; F32-I248 HydrophobicContact CE1-CG2 4.06Å; F32-I248 HydrophobicContact CG-CB 4.32Å; F32-I248 HydrophobicContact CG-CD1 4.49Å; F32-I248 HydrophobicContact CG-CG2 3.58Å; F32-Q249 HydrophobicContact CZ-CB 4Å; F32-L252 HydrophobicContact CD1-CD2 4.15Å; F32-L252 HydrophobicContact CE1-CD2 3.8Å; F32-L271 HydrophobicContact CZ-CD1 4.5Å; F32-M274 HydrophobicContact CD2-SD 4.16Å; F32-M274 HydrophobicContact CE2-SD 3.66Å; F32-M274 HydrophobicContact CZ-SD 4.42Å
33L94.4Very high95.3Very high0 Ų031.7 Ų31.70%018%0.175CC..Hα-helixtrans-62.8-41.8177.9-70.6170.7000111.9M29 A35 L36 G37 R38 V40 Y106 L108 L252M29-L33 HydrophobicContact CG-CD1 3.82Å; M29-L33 HydrophobicContact CG-CG 4.21Å; M29-L33 WeakPolarHBondContact O-CB 3.31Å; M29-L33 WeakPolarHBondContact O-CG 3.15Å; M29-L33 PolarHBondContact O-N 2.94Å; M29-L33 HydrophobicContact SD-CD1 4.09Å; M29-L33 HydrophobicContact SD-CD2 4.31Å; M29-L33 HydrophobicContact SD-CG 3.9Å; L33-A35 VanDerWaalsContact C-N 3.33Å; L33-A35 PolarHBondContact O-N 3.42Å; L33-L36 WeakPolarHBondContact O-CB 3.32Å; L33-L36 PolarHBondContact O-N 2.91Å; L33-G37 PolarHBondContact O-N 3.13Å; L33-R38 HydrophobicContact CB-CB 4.3Å; L33-R38 WeakPolarHBondContact O-CB 2.95Å; L33-R38 PolarHBondContact O-N 3.26Å; L33-V40 HydrophobicContact CB-CG2 3.4Å; L33-V40 HydrophobicContact CD1-CG1 4.39Å; L33-V40 HydrophobicContact CD1-CG2 4.05Å; L33-V40 HydrophobicContact CG-CG2 4.37Å; L33-Y106 HydrophobicContact CD1-CD1 3.84Å; L33-Y106 HydrophobicContact CD1-CE1 4.01Å; L33-L108 HydrophobicContact CD1-CD1 4.23Å; L33-L108 HydrophobicContact CD1-CD2 4.28Å; L33-L108 HydrophobicContact CD1-CG 4.47Å; L33-L252 HydrophobicContact CD2-CD1 3.65Å; L33-L252 HydrophobicContact CD2-CD2 3.65Å; L33-L252 HydrophobicContact CD2-CG 4.31Å
34R94.5Very high95.4Very high93 Ų9330.3 Ų30.335%0.35117%0.166SC..Hα-helixtrans-61.8-40.9174.3-74.9178.4-171.9116.6-4.8111.5S30 E31 F32 L36 G37 V40S30-R34 WeakPolarHBondContact O-CB 3.45Å; S30-R34 VanDerWaalsContact O-CG 3.23Å; S30-R34 WeakPolarHBondContact O-CG 3.41Å; S30-R34 PolarHBondContact O-N 2.95Å; S30-R34 PolarHBondContact OG-NH1 3.41Å; E31-R34 PolarHBondContact O-N 3.15Å; F32-R34 PolarHBondContact O-N 2.89Å; R34-L36 VanDerWaalsContact C-N 3.26Å; R34-L36 PolarHBondContact O-N 2.87Å; R34-G37 WeakPolarHBondContact O-CA 3.43Å; R34-G37 PolarHBondContact O-N 3.23Å; R34-V40 HydrophobicContact CG-CB 4.38Å; R34-V40 HydrophobicContact CG-CG2 4.15Å
35A92.4Very high95.4Very high61 Ų6126.7 Ų26.750%0.50414%0.143SC..Hα-helixtrans-65.2-28.5176.200000112.9E31 F32 L33 G37 M274E31-A35 WeakPolarHBondContact O-CB 3.49Å; E31-A35 PolarHBondContact O-N 2.87Å; F32-A35 WeakPolarHBondContact O-CB 3.44Å; F32-A35 PolarHBondContact O-N 3.18Å; L33-A35 VanDerWaalsContact C-N 3.33Å; L33-A35 PolarHBondContact O-N 3.42Å; A35-G37 PolarHBondContact O-N 2.87Å; A35-M274 HydrophobicContact CB-CE 3.59Å
36L90.2Very high95.2Very high3 Ų327.6 Ų27.62%0.01615%0.148CC..THydrogen-bonded Turntrans-73.9-10169.9-67.4177.5000113.6F32 L33 R34 L252 S270 L271 M274F32-L36 HydrophobicContact CD1-CD1 3.94Å; F32-L36 HydrophobicContact CD1-CG 4.48Å; F32-L36 HydrophobicContact CE1-CD1 3.52Å; F32-L36 HydrophobicContact CE1-CG 4.21Å; F32-L36 HydrophobicContact CZ-CD1 4.19Å; F32-L36 WeakPolarHBondContact O-CG 3.46Å; F32-L36 PolarHBondContact O-N 2.74Å; L33-L36 WeakPolarHBondContact O-CB 3.32Å; L33-L36 PolarHBondContact O-N 2.91Å; R34-L36 VanDerWaalsContact C-N 3.26Å; R34-L36 PolarHBondContact O-N 2.87Å; L36-L252 HydrophobicContact CD1-CD2 3.66Å; L36-S270 WeakPolarHBondContact O-CB 3.45Å; L36-S270 PolarHBondContact O-OG 3.47Å; L36-L271 HydrophobicContact CD2-CB 3.88Å; L36-L271 HydrophobicContact CD2-CD1 3.74Å; L36-L271 HydrophobicContact CD2-CG 4.44Å; L36-M274 HydrophobicContact CD2-CE 3.94Å; L36-M274 HydrophobicContact CG-CE 4.38Å
37G89.6Confident95Very high49 Ų4928.2 Ų28.251%0.50515%0.153SC..THydrogen-bonded Turntrans91.410.3-177.400000114.1L33 R34 A35L33-G37 PolarHBondContact O-N 3.13Å; R34-G37 WeakPolarHBondContact O-CA 3.43Å; R34-G37 PolarHBondContact O-N 3.23Å; A35-G37 PolarHBondContact O-N 2.87Å
38R91.3Very high94.6Very high10 Ų1028.2 Ų28.24%0.03816%0.159CC..  trans-76.1141.5173.5-68.6-178.5179.5-176.511.1110.3L33 V40 D256 E267L33-R38 HydrophobicContact CB-CB 4.3Å; L33-R38 WeakPolarHBondContact O-CB 2.95Å; L33-R38 PolarHBondContact O-N 3.26Å; R38-V40 HydrophobicContact CB-CG2 4.28Å; R38-D256 IonicContact CZ-OD2 2.67Å; R38-D256 IonicContact NH1-OD1 3.68Å; R38-D256 PolarHBondContact NH1-OD1 3.47Å; R38-D256 IonicContact NH1-OD2 3.24Å; R38-D256 PolarHBondContact NH1-OD2 2.94Å; R38-D256 IonicContact NH2-OD2 3.17Å; R38-D256 PolarHBondContact NH2-OD2 2.66Å; R38-E267 HydrophobicContact CG-CG 4.31Å; R38-E267 WeakPolarHBondContact CG-OE1 3.43Å; R38-E267 IonicContact CZ-OE2 3.2Å; R38-E267 IonicContact NE-OE1 2.72Å; R38-E267 PolarHBondContact NE-OE1 3.41Å; R38-E267 IonicContact NE-OE2 3.18Å; R38-E267 PolarHBondContact NE-OE2 3.28Å; R38-E267 IonicContact NH2-OE2 2.62Å; R38-E267 PolarHBondContact NH2-OE2 2.95Å
39R93.3Very high94Very high141 Ų14129.3 Ų29.353%0.53216%0.162SC..  trans-80123.6166.3-61-169.2-60.6163.22.4107.9G104 H105 Y106R39-G104 PolarHBondContact NE-O 3.43Å; R39-G104 PolarHBondContact NH2-O 2.86Å; R39-H105 VanDerWaalsContact CB-CD2 3.5Å; R39-H105 WeakPolarHBondContact CB-CD2 3.49Å; R39-H105 CarbonylContact O-C 3.6Å; R39-H105 WeakPolarHBondContact O-CA 3.45Å; R39-Y106 PolarHBondContact O-N 2.96Å
40V96.1Very high92.8Very high13 Ų1338.9 Ų38.98%0.07921%0.207CC..EExtended strand (participates in β ladder)trans-123.6136.9-173.7-174.30000109.8L33 R34 R38 V42 Y106 L108L33-V40 HydrophobicContact CB-CG2 3.4Å; L33-V40 HydrophobicContact CD1-CG1 4.39Å; L33-V40 HydrophobicContact CD1-CG2 4.05Å; L33-V40 HydrophobicContact CG-CG2 4.37Å; R34-V40 HydrophobicContact CG-CB 4.38Å; R34-V40 HydrophobicContact CG-CG2 4.15Å; R38-V40 HydrophobicContact CB-CG2 4.28Å; V40-V42 HydrophobicContact CG1-CG2 4.43Å; V40-Y106 WeakPolarHBondContact CA-O 3.39Å; V40-L108 HydrophobicContact CG1-CD1 3.96Å; V40-L108 HydrophobicContact CG1-CG 4.14Å
41A97.6Very high92Very high3 Ų341.7 Ų41.73%0.02524%0.235CC..EExtended strand (participates in β ladder)trans-120.2120.5169.900000109A57 L102 H105 Y106 F107 L108A41-A57 HydrophobicContact CB-CB 4Å; A41-L102 HydrophobicContact CB-CD1 4.14Å; A41-H105 HydrophobicContact CB-CB 3.94Å; A41-Y106 PolarHBondContact N-O 3.33Å; A41-F107 HydrophobicContact CB-CD1 3.85Å; A41-F107 HydrophobicContact CB-CE1 3.89Å; A41-F107 WeakPolarHBondContact O-CA 3.2Å; A41-L108 PolarHBondContact O-N 3.5Å
42V98Very high91.7Very high1 Ų138.2 Ų38.21%0.00622%0.22CC..EExtended strand (participates in β ladder)trans-93.6129.3174.4-169.40000108.3C26 V40 Y54 A57 L108C26-V42 HydrophobicContact CB-CG1 4.2Å; V40-V42 HydrophobicContact CG1-CG2 4.43Å; V42-Y54 HydrophobicContact CB-CD2 4.03Å; V42-Y54 HydrophobicContact CB-CE2 4.12Å; V42-Y54 HydrophobicContact CG1-CD1 4.46Å; V42-Y54 HydrophobicContact CG1-CD2 3.68Å; V42-Y54 HydrophobicContact CG1-CE1 4.19Å; V42-Y54 HydrophobicContact CG1-CE2 3.37Å; V42-Y54 HydrophobicContact CG1-CG 4.23Å; V42-A57 WeakPolarHBondContact O-CB 3.5Å; V42-A57 PolarHBondContact O-N 3.23Å; V42-L108 CarbonylContact C-O 3.41Å; V42-L108 WeakPolarHBondContact CA-O 3.45Å; V42-L108 HydrophobicContact CG1-CB 4.43Å; V42-L108 HydrophobicContact CG2-CB 4.46Å; V42-L108 HydrophobicContact CG2-CD1 4.37Å
43V97.9Very high91.4Very high0 Ų041 Ų410%024%0.239CC..EExtended strand (participates in β ladder)trans-117.7116.1-177.9176.70000107.9L45 V58 L99 F107 L108 F109 D110V43-L45 HydrophobicContact CG1-CD2 3.8Å; V43-L45 HydrophobicContact CG1-CG 4.23Å; V43-V58 CarbonylContact C-O 3.58Å; V43-V58 WeakPolarHBondContact CA-O 3.49Å; V43-V58 HydrophobicContact CB-CB 4.49Å; V43-V58 HydrophobicContact CG1-CB 4.02Å; V43-V58 HydrophobicContact CG1-CG1 4.34Å; V43-V58 HydrophobicContact CG2-CB 4.17Å; V43-V58 HydrophobicContact CG2-CG2 4.36Å; V43-L99 HydrophobicContact CG2-CD2 3.83Å; V43-F107 HydrophobicContact CG2-CD1 4.13Å; V43-L108 PolarHBondContact N-O 3.27Å; V43-F109 HydrophobicContact CB-CD1 3.59Å; V43-F109 HydrophobicContact CB-CE1 3.85Å; V43-F109 HydrophobicContact CB-CG 4.38Å; V43-F109 HydrophobicContact CG1-CD1 3.59Å; V43-F109 HydrophobicContact CG1-CE1 3.78Å; V43-F109 HydrophobicContact CG2-CD1 4.15Å; V43-F109 HydrophobicContact CG2-CE1 3.92Å; V43-F109 CarbonylContact O-C 3.56Å; V43-F109 WeakPolarHBondContact O-CA 3.36Å; V43-D110 PolarHBondContact O-N 3.47Å
44N97.2Very high91.2Very high1 Ų141.9 Ų41.91%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-84.2116.9173.9179.146.3000109.6D46 L52 V58 D59 V60N44-D46 PolarHBondContact ND2-O 3.18Å; N44-D46 PolarHBondContact OD1-N 3.24Å; N44-D46 VanDerWaalsContact OD1-N 3.1Å; N44-D46 PolarHBondContact OD1-O 3.25Å; N44-L52 HydrophobicContact CB-CD1 3.88Å; N44-L52 HydrophobicContact CB-CD2 4.23Å; N44-V58 PolarHBondContact N-O 3.45Å; N44-D59 PolarHBondContact ND2-OD1 3.22Å; N44-V60 PolarHBondContact O-N 3.18Å
45L96.3Very high91Very high1 Ų145 Ų451%0.00526%0.262CS..  trans-1042.4171.3-59.2-176.2000112.2V43 P47 V60 M85 L88 F109 D110 P112 M131V43-L45 HydrophobicContact CG1-CD2 3.8Å; V43-L45 HydrophobicContact CG1-CG 4.23Å; L45-P47 VanDerWaalsContact O-CD 3.26Å; L45-P47 WeakPolarHBondContact O-CD 3.5Å; L45-V60 VanDerWaalsContact C-CG1 3.45Å; L45-M85 WeakPolarHBondContact O-CE 3.44Å; L45-L88 HydrophobicContact CD2-CD2 4Å; L45-F109 HydrophobicContact CD1-CB 4.18Å; L45-F109 HydrophobicContact CD1-CD1 3.92Å; L45-F109 HydrophobicContact CD1-CG 4.44Å; L45-F109 HydrophobicContact CG-CD1 4.22Å; L45-D110 WeakPolarHBondContact CA-O 3.4Å; L45-D110 WeakPolarHBondContact CB-O 3.46Å; L45-D110 PolarHBondContact N-O 2.92Å; L45-P112 WeakPolarHBondContact O-CD 3.32Å; L45-P112 WeakPolarHBondContact O-CG 3.49Å; L45-M131 HydrophobicContact CD1-CE 4.48Å
46D94.1Very high91.1Very high21 Ų2144 Ų4411%0.11225%0.25CS..  trans-94.1103.3175.4-168.9-8000111.5N44 A48 N49 P112N44-D46 PolarHBondContact ND2-O 3.18Å; N44-D46 PolarHBondContact OD1-N 3.24Å; N44-D46 VanDerWaalsContact OD1-N 3.1Å; N44-D46 PolarHBondContact OD1-O 3.25Å; D46-A48 PolarHBondContact O-N 2.96Å; D46-A48 VanDerWaalsContact OD1-CB 3.29Å; D46-A48 WeakPolarHBondContact OD1-CB 3.29Å; D46-A48 PolarHBondContact OD1-N 2.72Å; D46-N49 HydrophobicContact CB-CB 4.08Å; D46-N49 WeakPolarHBondContact O-CB 3.09Å; D46-N49 PolarHBondContact O-N 2.94Å; D46-P112 HydrophobicContact CB-CB 4.36Å; D46-P112 HydrophobicContact CB-CG 4.44Å
47P92.3Very high91.4Very high14 Ų1446 Ų469%0.09127%0.267CS..THydrogen-bonded Turntrans-72.8-5.4179.234.4-39.3000113.1L45 V60 V64 L66 L81 C84 M85L45-P47 VanDerWaalsContact O-CD 3.26Å; L45-P47 WeakPolarHBondContact O-CD 3.5Å; P47-V60 HydrophobicContact CB-CG1 3.93Å; P47-V60 HydrophobicContact CG-CG1 4.5Å; P47-V64 WeakPolarHBondContact CB-O 3.49Å; P47-L66 HydrophobicContact CB-CB 4.45Å; P47-L81 VanDerWaalsContact CD-CD1 3.47Å; P47-L81 HydrophobicContact CG-CD1 3.29Å; P47-C84 HydrophobicContact CB-CB 4.25Å; P47-C84 HydrophobicContact CG-CB 3.66Å; P47-M85 HydrophobicContact CG-CE 4.05Å
48A89.3Confident91.7Very high43 Ų4343.8 Ų43.836%0.35524%0.244SC..THydrogen-bonded Turntrans-91.2-4.7174.600000112.9D46 E50 L66D46-A48 PolarHBondContact O-N 2.96Å; D46-A48 VanDerWaalsContact OD1-CB 3.29Å; D46-A48 WeakPolarHBondContact OD1-CB 3.29Å; D46-A48 PolarHBondContact OD1-N 2.72Å; A48-E50 PolarHBondContact O-N 3.2Å; A48-L66 HydrophobicContact CB-CD2 3.58Å
49N84.1Confident92Very high36 Ų3645.1 Ų45.119%0.19325%0.252CS..  trans-9295.4-172.8-161.6-7.8000111.7T23 D46 L52T23-N49 PolarHBondContact OG1-ND2 3.17Å; D46-N49 HydrophobicContact CB-CB 4.08Å; D46-N49 WeakPolarHBondContact O-CB 3.09Å; D46-N49 PolarHBondContact O-N 2.94Å; N49-L52 HydrophobicContact CB-CD2 4Å; N49-L52 VanDerWaalsContact CG-CD2 3.43Å; N49-L52 WeakPolarHBondContact ND2-CD2 3.28Å
50E72.9Confident92.1Very high200 Ų20038.4 Ų38.494%0.93523%0.227SC*.  trans-84.2-12.3-175.6-61.8-177.4173.600114.1A48A48-E50 PolarHBondContact O-N 3.2Å
51G79.8Confident92Very high59 Ų5939.6 Ų39.661%0.60824%0.241SC*.  trans-131.459.3-167.700000113.5P53G51-P53 WeakPolarHBondContact O-CD 3.21Å
52L88.6Confident91.8Very high41 Ų4145.1 Ų45.122%0.21527%0.266CS..  trans-62.8120.9-178-59.1179.2000111.1N44 N49 Y54 C56N44-L52 HydrophobicContact CB-CD1 3.88Å; N44-L52 HydrophobicContact CB-CD2 4.23Å; N49-L52 HydrophobicContact CB-CD2 4Å; N49-L52 VanDerWaalsContact CG-CD2 3.43Å; N49-L52 WeakPolarHBondContact ND2-CD2 3.28Å; L52-Y54 HydrophobicContact CB-CD2 4.45Å; L52-Y54 HydrophobicContact CB-CE2 4.23Å; L52-Y54 HydrophobicContact CD1-CE2 4.27Å; L52-Y54 HydrophobicContact CD2-CE2 4.15Å; L52-Y54 HydrophobicContact CG-CE2 4.46Å; L52-Y54 PolarHBondContact O-N 3.22Å; L52-C56 HydrophobicContact CD1-CB 3.6Å
53P89.1Confident91.7Very high70 Ų7046.8 Ų46.846%0.45528%0.275SS..SBendtrans-82.95.2-17835.8-37.3000112.9T23 L27 G51T23-P53 VanDerWaalsContact CG2-CD 3.45Å; T23-P53 HydrophobicContact CG2-CG 3.8Å; L27-P53 HydrophobicContact CB-CG 4.48Å; L27-P53 HydrophobicContact CD2-CB 4.13Å; L27-P53 HydrophobicContact CD2-CG 4.28Å; G51-P53 WeakPolarHBondContact O-CD 3.21Å
54Y90.8Very high91.5Very high20 Ų2047.4 Ų47.48%0.07828%0.279CS..SBendtrans-130.7161.5-176.248.4-110.9000111.4T23 C26 L27 V42 L52 C56 D110T23-Y54 HydrophobicContact CG2-CD1 4.42Å; T23-Y54 HydrophobicContact CG2-CE1 3.6Å; C26-Y54 HydrophobicContact CB-CD1 4.34Å; C26-Y54 HydrophobicContact CB-CE1 3.82Å; L27-Y54 HydrophobicContact CB-CD1 4.17Å; V42-Y54 HydrophobicContact CB-CD2 4.03Å; V42-Y54 HydrophobicContact CB-CE2 4.12Å; V42-Y54 HydrophobicContact CG1-CD1 4.46Å; V42-Y54 HydrophobicContact CG1-CD2 3.68Å; V42-Y54 HydrophobicContact CG1-CE1 4.19Å; V42-Y54 HydrophobicContact CG1-CE2 3.37Å; V42-Y54 HydrophobicContact CG1-CG 4.23Å; L52-Y54 HydrophobicContact CB-CD2 4.45Å; L52-Y54 HydrophobicContact CB-CE2 4.23Å; L52-Y54 HydrophobicContact CD1-CE2 4.27Å; L52-Y54 HydrophobicContact CD2-CE2 4.15Å; L52-Y54 HydrophobicContact CG-CE2 4.46Å; L52-Y54 PolarHBondContact O-N 3.22Å; Y54-C56 HydrophobicContact CD2-CB 4.38Å; Y54-C56 HydrophobicContact CE2-CB 4.28Å; Y54-C56 PolarHBondContact O-N 2.96Å; Y54-C56 VanDerWaalsContact O-N 3.1Å; Y54-D110 VanDerWaalsContact OH-CB 3.24Å; Y54-D110 WeakPolarHBondContact OH-CB 3.45Å; Y54-D110 PolarHBondContact OH-OD2 3.32Å
55E90.8Very high91.3Very high159 Ų15948.2 Ų48.274%0.74329%0.287SS*.  trans-68106.8168.7-172.4-176.7-179.600109.6
56C93.6Very high91.2Very high38 Ų3849.1 Ų49.126%0.25729%0.292SS..EExtended strand (participates in β ladder)trans-83.7122.5178.8-166.70000110.1L52 Y54 V58L52-C56 HydrophobicContact CD1-CB 3.6Å; Y54-C56 HydrophobicContact CD2-CB 4.38Å; Y54-C56 HydrophobicContact CE2-CB 4.28Å; Y54-C56 PolarHBondContact O-N 2.96Å; Y54-C56 VanDerWaalsContact O-N 3.1Å; C56-V58 VanDerWaalsContact SG-C 3.54Å; C56-V58 PolarHBondContact SG-O 3.11Å
57A96.4Very high91.1Very high46 Ų4650.2 Ų50.238%0.3831%0.309SS..EExtended strand (participates in β ladder)trans-82.4-32.6178.900000112.2A41 V42 L102A41-A57 HydrophobicContact CB-CB 4Å; V42-A57 WeakPolarHBondContact O-CB 3.5Å; V42-A57 PolarHBondContact O-N 3.23Å; A57-L102 HydrophobicContact CB-CD1 3.89Å
58V96.9Very high91.1Very high2 Ų255.4 Ų55.41%0.01234%0.336CS..EExtended strand (participates in β ladder)trans-145.3124.6177.5-177.50000108.1V43 N44 C56 W94 L95 K98 L99 L102V43-V58 CarbonylContact C-O 3.58Å; V43-V58 WeakPolarHBondContact CA-O 3.49Å; V43-V58 HydrophobicContact CB-CB 4.49Å; V43-V58 HydrophobicContact CG1-CB 4.02Å; V43-V58 HydrophobicContact CG1-CG1 4.34Å; V43-V58 HydrophobicContact CG2-CB 4.17Å; V43-V58 HydrophobicContact CG2-CG2 4.36Å; N44-V58 PolarHBondContact N-O 3.45Å; C56-V58 VanDerWaalsContact SG-C 3.54Å; C56-V58 PolarHBondContact SG-O 3.11Å; V58-W94 HydrophobicContact CG1-CH2 3.76Å; V58-W94 HydrophobicContact CG1-CZ3 4.17Å; V58-L95 HydrophobicContact CG1-CD1 4.26Å; V58-K98 HydrophobicContact CB-CB 4.45Å; V58-K98 HydrophobicContact CG1-CB 3.77Å; V58-K98 HydrophobicContact CG1-CG 4.11Å; V58-K98 HydrophobicContact CG2-CB 3.77Å; V58-L99 HydrophobicContact CG2-CD2 4.38Å; V58-L102 HydrophobicContact CG2-CD1 3.83Å
59D96.6Very high91.4Very high39 Ų3953.9 Ų53.921%0.20932%0.321CS..EExtended strand (participates in β ladder)trans-118.4123.2178.9-167.6-14000110.7N44 G61 E62 W94N44-D59 PolarHBondContact ND2-OD1 3.22Å; D59-G61 PolarHBondContact O-N 2.91Å; D59-G61 PolarHBondContact OD1-N 3.13Å; D59-E62 HydrophobicContact CB-CG 4.47Å; D59-E62 WeakPolarHBondContact O-CB 3.38Å; D59-E62 PolarHBondContact O-N 3.45Å; D59-E62 VanDerWaalsContact O-N 3.07Å; D59-W94 WeakPolarHBondContact O-CH2 3.3Å
60V95.8Very high91.9Very high0 Ų054.6 Ų54.60%032%0.324CS..G310 helixtrans-59.5-24.217570.10000112.4N44 L45 P47 E62 L63 V64 M85 L88N44-V60 PolarHBondContact O-N 3.18Å; L45-V60 VanDerWaalsContact C-CG1 3.45Å; P47-V60 HydrophobicContact CB-CG1 3.93Å; P47-V60 HydrophobicContact CG-CG1 4.5Å; V60-E62 PolarHBondContact O-N 3.39Å; V60-E62 VanDerWaalsContact O-N 3.16Å; V60-L63 WeakPolarHBondContact O-CA 3.38Å; V60-L63 WeakPolarHBondContact O-CB 3.47Å; V60-L63 PolarHBondContact O-N 2.96Å; V60-V64 HydrophobicContact CG2-CG1 4.12Å; V60-V64 PolarHBondContact O-N 3.28Å; V60-M85 HydrophobicContact CG2-CE 4.45Å; V60-L88 HydrophobicContact CG2-CB 4.44Å; V60-L88 HydrophobicContact CG2-CD1 4.35Å; V60-L88 HydrophobicContact CG2-CD2 4.02Å
61G93.5Very high93Very high37 Ų3751.5 Ų51.538%0.38131%0.314SS..G310 helixtrans-58.9-23.4174.100000113.6D59 L63D59-G61 PolarHBondContact O-N 2.91Å; D59-G61 PolarHBondContact OD1-N 3.13Å; G61-L63 VanDerWaalsContact C-N 3.3Å
62E94.3Very high93.7Very high119 Ų11952.5 Ų52.556%0.55632%0.317SS*.G310 helixtrans-71.1-24.2172.2-64.2178.9-155.900113.2D59 V60 W94 K98D59-E62 HydrophobicContact CB-CG 4.47Å; D59-E62 WeakPolarHBondContact O-CB 3.38Å; D59-E62 PolarHBondContact O-N 3.45Å; D59-E62 VanDerWaalsContact O-N 3.07Å; V60-E62 PolarHBondContact O-N 3.39Å; V60-E62 VanDerWaalsContact O-N 3.16Å; E62-W94 HydrophobicContact CB-CZ2 4.02Å; E62-K98 IonicContact OE1-NZ 3.65Å; E62-K98 WeakPolarHBondContact OE2-CE 3.5Å; E62-K98 IonicContact OE2-NZ 2.89Å; E62-K98 PolarHBondContact OE2-NZ 3.13Å
63L95.7Very high94Very high37 Ų3754.5 Ų54.519%0.19433%0.327CS..THydrogen-bonded Turntrans-93.2-48178.3177.167.1000111.3V60 G61 Y87 L88 N91 W94V60-L63 WeakPolarHBondContact O-CA 3.38Å; V60-L63 WeakPolarHBondContact O-CB 3.47Å; V60-L63 PolarHBondContact O-N 2.96Å; G61-L63 VanDerWaalsContact C-N 3.3Å; L63-Y87 HydrophobicContact CD1-CE1 3.94Å; L63-Y87 HydrophobicContact CD2-CD1 4.31Å; L63-Y87 HydrophobicContact CG-CD1 4.12Å; L63-Y87 HydrophobicContact CG-CE1 3.98Å; L63-L88 HydrophobicContact CD2-CB 4.42Å; L63-L88 HydrophobicContact CD2-CD1 3.73Å; L63-N91 HydrophobicContact CD1-CB 4.41Å; L63-N91 HydrophobicContact CD2-CB 4.19Å; L63-W94 HydrophobicContact CB-CD2 4.02Å; L63-W94 HydrophobicContact CB-CE3 4.1Å; L63-W94 HydrophobicContact CB-CH2 4.15Å; L63-W94 HydrophobicContact CB-CZ2 4.03Å; L63-W94 HydrophobicContact CB-CZ3 4.17Å; L63-W94 HydrophobicContact CD1-CB 4.36Å; L63-W94 HydrophobicContact CD1-CD2 4.18Å; L63-W94 HydrophobicContact CD1-CG 3.99Å; L63-W94 HydrophobicContact CD2-CD2 4.13Å; L63-W94 HydrophobicContact CD2-CE3 3.81Å; L63-W94 HydrophobicContact CD2-CZ3 4.34Å; L63-W94 HydrophobicContact CG-CD2 4.33Å; L63-W94 HydrophobicContact CG-CE3 4.41Å
64V94.6Very high94.3Very high13 Ų1362.2 Ų62.28%0.07935%0.347CS..  trans-152.5118.5-175.260.50000111P47 V60 V69 C84 Y87P47-V64 WeakPolarHBondContact CB-O 3.49Å; V60-V64 HydrophobicContact CG2-CG1 4.12Å; V60-V64 PolarHBondContact O-N 3.28Å; V64-V69 HydrophobicContact CG2-CG2 3.48Å; V64-V69 VanDerWaalsContact CG2-CG2 3.48Å; V64-C84 HydrophobicContact CG1-CB 3.95Å; V64-C84 HydrophobicContact CG2-CB 4.29Å; V64-Y87 HydrophobicContact CB-CD1 3.84Å; V64-Y87 HydrophobicContact CB-CE1 4.37Å; V64-Y87 HydrophobicContact CG1-CD1 4.07Å; V64-Y87 HydrophobicContact CG2-CD1 4.25Å
65G92.3Very high94.4Very high17 Ų1764.3 Ų64.318%0.17536%0.36CS..  trans-92.3137.5176.100000112.3G67 D68 V69G65-G67 PolarHBondContact O-N 3.3Å; G65-D68 PolarHBondContact O-N 3.41Å; G65-V69 WeakPolarHBondContact O-CG2 3.05Å; G65-V69 PolarHBondContact O-N 3.16Å
66L93.4Very high94.6Very high21 Ų2158.9 Ų58.911%0.1135%0.346CS..Hα-helixtrans-61.2-42.8179.5176.460.1000112.3P47 A48 D68 V69 M70 L81P47-L66 HydrophobicContact CB-CB 4.45Å; A48-L66 HydrophobicContact CB-CD2 3.58Å; L66-D68 PolarHBondContact O-N 2.94Å; L66-V69 PolarHBondContact O-N 2.89Å; L66-M70 HydrophobicContact CD1-CG 3.98Å; L66-M70 HydrophobicContact CD1-SD 3.92Å; L66-M70 HydrophobicContact CD2-SD 4.27Å; L66-M70 HydrophobicContact CG-CG 4.31Å; L66-M70 HydrophobicContact CG-SD 3.74Å; L66-M70 VanDerWaalsContact O-CG 3.29Å; L66-M70 WeakPolarHBondContact O-CG 3.46Å; L66-M70 PolarHBondContact O-N 3.23Å; L66-L81 HydrophobicContact CD1-CB 4.27Å; L66-L81 VanDerWaalsContact CD1-N 3.3Å
67G92.9Very high94.4Very high44 Ų4460.7 Ų60.745%0.45436%0.358SS..Hα-helixtrans-59.1-48.1179.500000112.6G65 V69 M70 D71G65-G67 PolarHBondContact O-N 3.3Å; G67-V69 VanDerWaalsContact C-N 3.31Å; G67-V69 PolarHBondContact O-N 3.31Å; G67-M70 PolarHBondContact O-N 3.08Å; G67-D71 PolarHBondContact O-N 2.99Å
68D92Very high94.1Very high123 Ų12362.7 Ų62.766%0.65836%0.362SS*.Hα-helixtrans-61.4-40.1179.4-62.9-35.2000111.9G65 L66 A72G65-D68 PolarHBondContact O-N 3.41Å; L66-D68 PolarHBondContact O-N 2.94Å; D68-A72 WeakPolarHBondContact O-CB 3.41Å; D68-A72 PolarHBondContact O-N 3.04Å
69V94.8Very high93.9Very high10 Ų1064 Ų646%0.06138%0.375CS..Hα-helixtrans-66.4-45.5177.2169.40000111.3V64 G65 L66 G67 D71 A72 L73 L75 Y83V64-V69 HydrophobicContact CG2-CG2 3.48Å; V64-V69 VanDerWaalsContact CG2-CG2 3.48Å; G65-V69 WeakPolarHBondContact O-CG2 3.05Å; G65-V69 PolarHBondContact O-N 3.16Å; L66-V69 PolarHBondContact O-N 2.89Å; G67-V69 VanDerWaalsContact C-N 3.31Å; G67-V69 PolarHBondContact O-N 3.31Å; V69-D71 VanDerWaalsContact C-N 3.32Å; V69-D71 PolarHBondContact O-N 3.15Å; V69-A72 PolarHBondContact O-N 2.62Å; V69-L73 HydrophobicContact CG1-CD1 4.11Å; V69-L73 WeakPolarHBondContact O-CB 3.43Å; V69-L73 PolarHBondContact O-N 3.39Å; V69-L75 HydrophobicContact CG1-CD1 4.35Å; V69-Y83 HydrophobicContact CB-CD1 4.29Å; V69-Y83 HydrophobicContact CG1-CD1 3.44Å; V69-Y83 VanDerWaalsContact CG1-CD1 3.44Å; V69-Y83 HydrophobicContact CG1-CE1 4.2Å; V69-Y83 HydrophobicContact CG1-CG 3.94Å; V69-Y83 HydrophobicContact CG2-CD1 3.77Å; V69-Y83 HydrophobicContact CG2-CE1 4Å
70M95.7Very high93.7Very high52 Ų5262.1 Ų62.126%0.25637%0.365SS..Hα-helixtrans-59.4-44.5178.2-74.3172.854.900111.1L66 G67 R74 L75 P77L66-M70 HydrophobicContact CD1-CG 3.98Å; L66-M70 HydrophobicContact CD1-SD 3.92Å; L66-M70 HydrophobicContact CD2-SD 4.27Å; L66-M70 HydrophobicContact CG-CG 4.31Å; L66-M70 HydrophobicContact CG-SD 3.74Å; L66-M70 VanDerWaalsContact O-CG 3.29Å; L66-M70 WeakPolarHBondContact O-CG 3.46Å; L66-M70 PolarHBondContact O-N 3.23Å; G67-M70 PolarHBondContact O-N 3.08Å; M70-R74 WeakPolarHBondContact O-CA 3.4Å; M70-R74 PolarHBondContact O-N 2.99Å; M70-L75 PolarHBondContact O-N 3.3Å; M70-P77 HydrophobicContact CE-CG 3.9Å; M70-P77 HydrophobicContact SD-CB 4.34Å; M70-P77 HydrophobicContact SD-CG 4.34Å
71D95.4Very high93.6Very high134 Ų13462.1 Ų62.172%0.71737%0.365SS*.Hα-helixtrans-70.6-44.8-179.6-75.3-15000112.4G67 V69G67-D71 PolarHBondContact O-N 2.99Å; V69-D71 VanDerWaalsContact C-N 3.32Å; V69-D71 PolarHBondContact O-N 3.15Å
72A95.3Very high93.6Very high81 Ų8162.8 Ų62.867%0.66936%0.36SS*.Hα-helixtrans-69.9-42.5-177.100000112.9D68 V69D68-A72 WeakPolarHBondContact O-CB 3.41Å; D68-A72 PolarHBondContact O-N 3.04Å; V69-A72 PolarHBondContact O-N 2.62Å
73L94.4Very high93.7Very high83 Ų8361 Ų6144%0.43535%0.348SS..Hα-helixtrans-99-3.2-175.3-59.6-178.7000113.4V69 L75 Y83V69-L73 HydrophobicContact CG1-CD1 4.11Å; V69-L73 WeakPolarHBondContact O-CB 3.43Å; V69-L73 PolarHBondContact O-N 3.39Å; L73-L75 HydrophobicContact CB-CD1 3.76Å; L73-L75 HydrophobicContact CB-CG 3.72Å; L73-L75 HydrophobicContact CD1-CD1 3.89Å; L73-L75 HydrophobicContact CG-CD1 4.5Å; L73-L75 PolarHBondContact O-N 2.76Å; L73-Y83 HydrophobicContact CD1-CD1 4Å; L73-Y83 HydrophobicContact CD1-CD2 3.63Å; L73-Y83 HydrophobicContact CD1-CE1 3.93Å; L73-Y83 HydrophobicContact CD1-CE2 3.53Å; L73-Y83 HydrophobicContact CD1-CG 3.85Å
74R94.6Very high93.7Very high231 Ų23159.2 Ų59.287%0.87234%0.339SS*.THydrogen-bonded Turntrans55.540.9-176.1-55.7-178.9178.9-175.7-0.8112.3M70M70-R74 WeakPolarHBondContact O-CA 3.4Å; M70-R74 PolarHBondContact O-N 2.99Å
75L94.2Very high93.7Very high65 Ų6558.6 Ų58.634%0.3434%0.335SS..  trans-93.6151178.9-63174.6000110.6V69 M70 L73V69-L75 HydrophobicContact CG1-CD1 4.35Å; M70-L75 PolarHBondContact O-N 3.3Å; L73-L75 HydrophobicContact CB-CD1 3.76Å; L73-L75 HydrophobicContact CB-CG 3.72Å; L73-L75 HydrophobicContact CD1-CD1 3.89Å; L73-L75 HydrophobicContact CG-CD1 4.5Å; L73-L75 PolarHBondContact O-N 2.76Å
76G93.4Very high93.9Very high44 Ų4462 Ų6245%0.45435%0.347SS..  trans-73.9170.5165.700000111.8N78 G79 G80G76-N78 PolarHBondContact O-N 2.93Å; G76-G79 PolarHBondContact O-N 3.47Å; G76-G79 VanDerWaalsContact O-N 3.16Å; G76-G80 PolarHBondContact O-N 3.25Å
77P90.4Very high94.1Very high77 Ų7765.2 Ų65.250%0.536%0.358SS..Hα-helixtrans-54.3-45.1-174.3-26.633.6000114.4M70 L81M70-P77 HydrophobicContact CE-CG 3.9Å; M70-P77 HydrophobicContact SD-CB 4.34Å; M70-P77 HydrophobicContact SD-CG 4.34Å; P77-L81 WeakPolarHBondContact O-CB 3.41Å; P77-L81 PolarHBondContact O-N 2.89Å
78N90.1Very high94.3Very high88 Ų8863.1 Ų63.147%0.47134%0.336SS..Hα-helixtrans-67.1-44.3180-67.4-6000111.7G76 L81 L82G76-N78 PolarHBondContact O-N 2.93Å; N78-L81 PolarHBondContact O-N 3.01Å; N78-L82 WeakPolarHBondContact O-CD1 3.4Å; N78-L82 PolarHBondContact O-N 3.09Å
79G91.8Very high94.5Very high28 Ų2860.2 Ų60.229%0.28932%0.319SS..Hα-helixtrans-66.4-38.6178.500000112.6G76 L81 L82 Y83G76-G79 PolarHBondContact O-N 3.47Å; G76-G79 VanDerWaalsContact O-N 3.16Å; G79-L81 VanDerWaalsContact C-N 3.35Å; G79-L82 PolarHBondContact O-N 3.05Å; G79-Y83 PolarHBondContact O-N 2.83Å; G79-Y83 VanDerWaalsContact O-N 3.08Å
80G94.1Very high94.6Very high0 Ų063.7 Ų63.70%035%0.349CS..Hα-helixtrans-62.5-42173.500000111.8G76 Y83 C84G76-G80 PolarHBondContact O-N 3.25Å; G80-Y83 WeakPolarHBondContact O-CB 3.39Å; G80-Y83 PolarHBondContact O-N 3.41Å; G80-C84 PolarHBondContact O-N 2.89Å; G80-C84 PolarHBondContact O-SG 3.07Å
81L93.4Very high94.7Very high1 Ų163.9 Ų63.91%0.00535%0.351CS..Hα-helixtrans-66.7-43.6178.4-176.473.6000112.8P47 L66 P77 N78 G79 Y83 C84 M85 P112 Q114 L117P47-L81 VanDerWaalsContact CD-CD1 3.47Å; P47-L81 HydrophobicContact CG-CD1 3.29Å; L66-L81 HydrophobicContact CD1-CB 4.27Å; L66-L81 VanDerWaalsContact CD1-N 3.3Å; P77-L81 WeakPolarHBondContact O-CB 3.41Å; P77-L81 PolarHBondContact O-N 2.89Å; N78-L81 PolarHBondContact O-N 3.01Å; G79-L81 VanDerWaalsContact C-N 3.35Å; L81-Y83 VanDerWaalsContact C-N 3.26Å; L81-Y83 PolarHBondContact O-N 2.79Å; L81-C84 WeakPolarHBondContact O-CB 3.17Å; L81-C84 PolarHBondContact O-N 2.98Å; L81-C84 VanDerWaalsContact O-N 3.13Å; L81-M85 WeakPolarHBondContact O-CG 3.39Å; L81-M85 PolarHBondContact O-N 3.21Å; L81-P112 HydrophobicContact CD1-CB 4.16Å; L81-P112 HydrophobicContact CD1-CG 4.4Å; L81-P112 HydrophobicContact CD2-CB 3.87Å; L81-P112 HydrophobicContact CG-CB 4.43Å; L81-Q114 HydrophobicContact CD2-CB 3.79Å; L81-Q114 HydrophobicContact CD2-CG 3.42Å; L81-Q114 VanDerWaalsContact CD2-CG 3.42Å; L81-Q114 VanDerWaalsContact CD2-NE2 3.29Å; L81-L117 HydrophobicContact CD2-CD1 3.8Å; L81-L117 HydrophobicContact CG-CD1 4.2Å
82L93.4Very high94.7Very high50 Ų5058.5 Ų58.526%0.26232%0.322SS..Hα-helixtrans-53.5-48.2173.3-83.7147.9000110.3N78 G79 C84 M85 E86 L117 H121N78-L82 WeakPolarHBondContact O-CD1 3.4Å; N78-L82 PolarHBondContact O-N 3.09Å; G79-L82 PolarHBondContact O-N 3.05Å; L82-C84 PolarHBondContact O-N 2.95Å; L82-M85 PolarHBondContact O-N 3.4Å; L82-M85 VanDerWaalsContact O-N 3.15Å; L82-E86 WeakPolarHBondContact O-CG 3.43Å; L82-E86 PolarHBondContact O-N 2.93Å; L82-L117 HydrophobicContact CD2-CD2 3.96Å; L82-L117 HydrophobicContact CG-CD2 4.39Å; L82-H121 HydrophobicContact CD2-CB 4.22Å; L82-H121 WeakPolarHBondContact CD2-CD2 3.41Å
83Y95.2Very high94.8Very high81 Ų8160.8 Ų60.832%0.31832%0.323SS..Hα-helixtrans-60.3-43.2175.5-178.9-86.2000112.6V69 L73 G79 G80 L81 M85 E86 Y87V69-Y83 HydrophobicContact CB-CD1 4.29Å; V69-Y83 HydrophobicContact CG1-CD1 3.44Å; V69-Y83 VanDerWaalsContact CG1-CD1 3.44Å; V69-Y83 HydrophobicContact CG1-CE1 4.2Å; V69-Y83 HydrophobicContact CG1-CG 3.94Å; V69-Y83 HydrophobicContact CG2-CD1 3.77Å; V69-Y83 HydrophobicContact CG2-CE1 4Å; L73-Y83 HydrophobicContact CD1-CD1 4Å; L73-Y83 HydrophobicContact CD1-CD2 3.63Å; L73-Y83 HydrophobicContact CD1-CE1 3.93Å; L73-Y83 HydrophobicContact CD1-CE2 3.53Å; L73-Y83 HydrophobicContact CD1-CG 3.85Å; G79-Y83 PolarHBondContact O-N 2.83Å; G79-Y83 VanDerWaalsContact O-N 3.08Å; G80-Y83 WeakPolarHBondContact O-CB 3.39Å; G80-Y83 PolarHBondContact O-N 3.41Å; L81-Y83 VanDerWaalsContact C-N 3.26Å; L81-Y83 PolarHBondContact O-N 2.79Å; Y83-M85 PolarHBondContact O-N 3.2Å; Y83-E86 PolarHBondContact O-N 2.82Å; Y83-Y87 HydrophobicContact CE1-CD2 4.26Å; Y83-Y87 VanDerWaalsContact O-CB 3.31Å; Y83-Y87 WeakPolarHBondContact O-CB 3.45Å; Y83-Y87 PolarHBondContact O-N 3Å
84C95.9Very high95Very high0 Ų059.5 Ų59.50%031%0.312CS..Hα-helixtrans-57.9-39176.2-66.60000111.9P47 V64 G80 L81 L82 Y87 L88P47-C84 HydrophobicContact CB-CB 4.25Å; P47-C84 HydrophobicContact CG-CB 3.66Å; V64-C84 HydrophobicContact CG1-CB 3.95Å; V64-C84 HydrophobicContact CG2-CB 4.29Å; G80-C84 PolarHBondContact O-N 2.89Å; G80-C84 PolarHBondContact O-SG 3.07Å; L81-C84 WeakPolarHBondContact O-CB 3.17Å; L81-C84 PolarHBondContact O-N 2.98Å; L81-C84 VanDerWaalsContact O-N 3.13Å; L82-C84 PolarHBondContact O-N 2.95Å; C84-Y87 PolarHBondContact O-N 2.93Å; C84-L88 WeakPolarHBondContact O-CB 3.39Å; C84-L88 PolarHBondContact O-N 3.37Å
85M96Very high95.1Very high0 Ų048.5 Ų48.50%027%0.271CS..Hα-helixtrans-71.6-40.8178.3-65.5-58.893.900112.6L45 P47 V60 L81 L82 Y83 Y87 L88 E89 P112 L117 A123 L124L45-M85 WeakPolarHBondContact O-CE 3.44Å; P47-M85 HydrophobicContact CG-CE 4.05Å; V60-M85 HydrophobicContact CG2-CE 4.45Å; L81-M85 WeakPolarHBondContact O-CG 3.39Å; L81-M85 PolarHBondContact O-N 3.21Å; L82-M85 PolarHBondContact O-N 3.4Å; L82-M85 VanDerWaalsContact O-N 3.15Å; Y83-M85 PolarHBondContact O-N 3.2Å; M85-Y87 VanDerWaalsContact C-N 3.29Å; M85-Y87 PolarHBondContact O-N 3.49Å; M85-L88 HydrophobicContact CE-CD2 4.46Å; M85-L88 PolarHBondContact O-N 3.24Å; M85-E89 WeakPolarHBondContact O-CB 3.38Å; M85-E89 PolarHBondContact O-N 3.26Å; M85-P112 HydrophobicContact CE-CG 4.22Å; M85-P112 HydrophobicContact CG-CG 4.33Å; M85-P112 HydrophobicContact SD-CG 3.63Å; M85-L117 HydrophobicContact CB-CD2 4.15Å; M85-L117 HydrophobicContact CG-CD1 3.91Å; M85-L117 HydrophobicContact CG-CD2 3.91Å; M85-A123 HydrophobicContact CB-CB 3.98Å; M85-L124 HydrophobicContact SD-CD2 4.31Å
86E95.4Very high95.2Very high90 Ų9050.4 Ų50.442%0.42127%0.273SS..Hα-helixtrans-61.9-39.3171.7-68.3175.5168.400111.5L82 Y83 E89 A90 H121L82-E86 WeakPolarHBondContact O-CG 3.43Å; L82-E86 PolarHBondContact O-N 2.93Å; Y83-E86 PolarHBondContact O-N 2.82Å; E86-E89 WeakPolarHBondContact O-CB 3.19Å; E86-E89 PolarHBondContact O-N 3.16Å; E86-A90 WeakPolarHBondContact O-CB 3.47Å; E86-A90 PolarHBondContact O-N 2.85Å; E86-H121 IonicContact OE1-CE1 3.02Å; E86-H121 IonicContact OE1-NE2 3.36Å; E86-H121 PolarHBondContact OE1-NE2 3.45Å
87Y96.9Very high95.3Very high87 Ų8751.4 Ų51.434%0.34128%0.277SS..Hα-helixtrans-66.9-40.9177.5-167.4-93.6000111.6L63 V64 Y83 C84 M85 A90 N91L63-Y87 HydrophobicContact CD1-CE1 3.94Å; L63-Y87 HydrophobicContact CD2-CD1 4.31Å; L63-Y87 HydrophobicContact CG-CD1 4.12Å; L63-Y87 HydrophobicContact CG-CE1 3.98Å; V64-Y87 HydrophobicContact CB-CD1 3.84Å; V64-Y87 HydrophobicContact CB-CE1 4.37Å; V64-Y87 HydrophobicContact CG1-CD1 4.07Å; V64-Y87 HydrophobicContact CG2-CD1 4.25Å; Y83-Y87 HydrophobicContact CE1-CD2 4.26Å; Y83-Y87 VanDerWaalsContact O-CB 3.31Å; Y83-Y87 WeakPolarHBondContact O-CB 3.45Å; Y83-Y87 PolarHBondContact O-N 3Å; C84-Y87 PolarHBondContact O-N 2.93Å; M85-Y87 VanDerWaalsContact C-N 3.29Å; M85-Y87 PolarHBondContact O-N 3.49Å; Y87-A90 PolarHBondContact O-N 2.94Å; Y87-N91 WeakPolarHBondContact O-CB 3.48Å; Y87-N91 PolarHBondContact O-N 3.23Å; Y87-N91 PolarHBondContact O-ND2 3.31Å
88L97.3Very high95.6Very high0 Ų051.1 Ų51.10%027%0.268CS..Hα-helixtrans-62.3-44.4172.1175.561.6000111.5L45 V60 L63 C84 M85 A90 N91 L92 W94 L95 I127L45-L88 HydrophobicContact CD2-CD2 4Å; V60-L88 HydrophobicContact CG2-CB 4.44Å; V60-L88 HydrophobicContact CG2-CD1 4.35Å; V60-L88 HydrophobicContact CG2-CD2 4.02Å; L63-L88 HydrophobicContact CD2-CB 4.42Å; L63-L88 HydrophobicContact CD2-CD1 3.73Å; C84-L88 WeakPolarHBondContact O-CB 3.39Å; C84-L88 PolarHBondContact O-N 3.37Å; M85-L88 HydrophobicContact CE-CD2 4.46Å; M85-L88 PolarHBondContact O-N 3.24Å; L88-A90 VanDerWaalsContact C-N 3.31Å; L88-A90 PolarHBondContact O-N 3.33Å; L88-N91 CarbonylContact O-C 3.54Å; L88-N91 VanDerWaalsContact O-C 3.32Å; L88-N91 PolarHBondContact O-N 3.5Å; L88-L92 PolarHBondContact O-N 3.5Å; L88-W94 HydrophobicContact CD1-CE3 4.24Å; L88-W94 HydrophobicContact CD1-CZ3 4.31Å; L88-L95 HydrophobicContact CD1-CB 4.29Å; L88-L95 HydrophobicContact CD1-CD2 4.34Å; L88-I127 HydrophobicContact CB-CD1 4.49Å; L88-I127 HydrophobicContact CD2-CD1 3.9Å; L88-I127 HydrophobicContact CG-CD1 4.08Å
89E96.8Very high95.9Very high63 Ų6347 Ų4729%0.29425%0.246SC..Hα-helixtrans-58.4-41.8176.2-177.4-174.9-171.700111.8M85 E86 N91 L92 A123 S126 I127M85-E89 WeakPolarHBondContact O-CB 3.38Å; M85-E89 PolarHBondContact O-N 3.26Å; E86-E89 WeakPolarHBondContact O-CB 3.19Å; E86-E89 PolarHBondContact O-N 3.16Å; E89-N91 PolarHBondContact O-N 3.46Å; E89-L92 WeakPolarHBondContact O-CD1 3.5Å; E89-L92 VanDerWaalsContact O-CG 3.29Å; E89-L92 WeakPolarHBondContact O-CG 3.49Å; E89-A123 HydrophobicContact CB-CB 4.48Å; E89-A123 WeakPolarHBondContact OE2-CA 2.93Å; E89-A123 WeakPolarHBondContact OE2-CB 3.37Å; E89-S126 WeakPolarHBondContact OE1-CB 3.35Å; E89-S126 PolarHBondContact OE1-OG 3.5Å; E89-I127 HydrophobicContact CB-CD1 4.42Å; E89-I127 HydrophobicContact CB-CG1 4.18Å
90A97.2Very high96Very high82 Ų8248.6 Ų48.668%0.67825%0.248SC*.Hα-helixtrans-70.3-18.7176.900000113.7E86 Y87 L88E86-A90 WeakPolarHBondContact O-CB 3.47Å; E86-A90 PolarHBondContact O-N 2.85Å; Y87-A90 PolarHBondContact O-N 2.94Å; L88-A90 VanDerWaalsContact C-N 3.31Å; L88-A90 PolarHBondContact O-N 3.33Å
91N97.3Very high96Very high56 Ų5653.5 Ų53.530%0.29928%0.28SS..THydrogen-bonded Turntrans-121.336.5-174.8-66.4-84.3000112.5L63 Y87 L88 E89 D93 W94L63-N91 HydrophobicContact CD1-CB 4.41Å; L63-N91 HydrophobicContact CD2-CB 4.19Å; Y87-N91 WeakPolarHBondContact O-CB 3.48Å; Y87-N91 PolarHBondContact O-N 3.23Å; Y87-N91 PolarHBondContact O-ND2 3.31Å; L88-N91 CarbonylContact O-C 3.54Å; L88-N91 VanDerWaalsContact O-C 3.32Å; L88-N91 PolarHBondContact O-N 3.5Å; E89-N91 PolarHBondContact O-N 3.46Å; N91-D93 PolarHBondContact O-N 3.45Å; N91-D93 VanDerWaalsContact O-N 3.09Å; N91-W94 VanDerWaalsContact O-CB 3.32Å; N91-W94 WeakPolarHBondContact O-CB 3.42Å; N91-W94 PolarHBondContact O-N 3.01Å
92L96.6Very high96Very high21 Ų2155.2 Ų55.211%0.1129%0.289CS..Hα-helixtrans-58.9-23.5-178.8-76.5167.3000114.3L88 E89 W94 L95 R96 I127 Q130 W134L88-L92 PolarHBondContact O-N 3.5Å; E89-L92 WeakPolarHBondContact O-CD1 3.5Å; E89-L92 VanDerWaalsContact O-CG 3.29Å; E89-L92 WeakPolarHBondContact O-CG 3.49Å; L92-W94 VanDerWaalsContact C-N 3.26Å; L92-W94 PolarHBondContact O-N 3.07Å; L92-L95 HydrophobicContact CD2-CD2 4.12Å; L92-L95 PolarHBondContact O-N 3Å; L92-R96 WeakPolarHBondContact O-CB 3.47Å; L92-R96 PolarHBondContact O-N 3.23Å; L92-I127 HydrophobicContact CD2-CB 4.36Å; L92-I127 HydrophobicContact CD2-CG1 4.04Å; L92-I127 HydrophobicContact CD2-CG2 4.12Å; L92-Q130 HydrophobicContact CD1-CB 3.75Å; L92-Q130 HydrophobicContact CD1-CG 3.69Å; L92-W134 HydrophobicContact CB-CH2 3.95Å; L92-W134 HydrophobicContact CB-CZ2 4.03Å; L92-W134 HydrophobicContact CD2-CH2 4.07Å; L92-W134 WeakPolarHBondContact O-CH2 3Å
93D96.6Very high95.9Very high129 Ų12955.2 Ų55.269%0.6929%0.285SS*.Hα-helixtrans-60.9-34.9173.3-68.9-39.5000112.4N91 R96 A97N91-D93 PolarHBondContact O-N 3.45Å; N91-D93 VanDerWaalsContact O-N 3.09Å; D93-R96 PolarHBondContact O-N 2.93Å; D93-A97 WeakPolarHBondContact O-CB 3.36Å; D93-A97 PolarHBondContact O-N 3.19Å
94W97.7Very high95.6Very high57 Ų5752.4 Ų52.422%0.21628%0.281CS..Hα-helixtrans-62.5-48173.6172.492.4000110.7V58 D59 E62 L63 L88 N91 L92 R96 A97 K98V58-W94 HydrophobicContact CG1-CH2 3.76Å; V58-W94 HydrophobicContact CG1-CZ3 4.17Å; D59-W94 WeakPolarHBondContact O-CH2 3.3Å; E62-W94 HydrophobicContact CB-CZ2 4.02Å; L63-W94 HydrophobicContact CB-CD2 4.02Å; L63-W94 HydrophobicContact CB-CE3 4.1Å; L63-W94 HydrophobicContact CB-CH2 4.15Å; L63-W94 HydrophobicContact CB-CZ2 4.03Å; L63-W94 HydrophobicContact CB-CZ3 4.17Å; L63-W94 HydrophobicContact CD1-CB 4.36Å; L63-W94 HydrophobicContact CD1-CD2 4.18Å; L63-W94 HydrophobicContact CD1-CG 3.99Å; L63-W94 HydrophobicContact CD2-CD2 4.13Å; L63-W94 HydrophobicContact CD2-CE3 3.81Å; L63-W94 HydrophobicContact CD2-CZ3 4.34Å; L63-W94 HydrophobicContact CG-CD2 4.33Å; L63-W94 HydrophobicContact CG-CE3 4.41Å; L88-W94 HydrophobicContact CD1-CE3 4.24Å; L88-W94 HydrophobicContact CD1-CZ3 4.31Å; N91-W94 VanDerWaalsContact O-CB 3.32Å; N91-W94 WeakPolarHBondContact O-CB 3.42Å; N91-W94 PolarHBondContact O-N 3.01Å; L92-W94 VanDerWaalsContact C-N 3.26Å; L92-W94 PolarHBondContact O-N 3.07Å; W94-R96 VanDerWaalsContact C-N 3.35Å; W94-R96 PolarHBondContact O-N 2.95Å; W94-A97 PolarHBondContact O-N 3.1Å; W94-K98 HydrophobicContact CD2-CG 4.4Å; W94-K98 HydrophobicContact CH2-CG 4.44Å; W94-K98 HydrophobicContact CZ2-CG 4.07Å; W94-K98 WeakPolarHBondContact O-CG 3.13Å; W94-K98 PolarHBondContact O-N 2.82Å; W94-K98 VanDerWaalsContact O-N 3.14Å
95L97Very high95.5Very high0 Ų054.6 Ų54.60%029%0.291CS..Hα-helixtrans-63-44.9179.7-179.258.4000110.5V58 L88 L92 A97 K98 L99 I127 M131 W134V58-L95 HydrophobicContact CG1-CD1 4.26Å; L88-L95 HydrophobicContact CD1-CB 4.29Å; L88-L95 HydrophobicContact CD1-CD2 4.34Å; L92-L95 HydrophobicContact CD2-CD2 4.12Å; L92-L95 PolarHBondContact O-N 3Å; L95-A97 PolarHBondContact O-N 3.27Å; L95-K98 WeakPolarHBondContact O-CB 3.43Å; L95-K98 PolarHBondContact O-N 3.47Å; L95-K98 VanDerWaalsContact O-N 3.15Å; L95-L99 HydrophobicContact CD1-CD1 4.01Å; L95-L99 HydrophobicContact CD1-CD2 4.46Å; L95-L99 HydrophobicContact CD1-CG 4.06Å; L95-L99 HydrophobicContact CG-CD1 3.87Å; L95-L99 HydrophobicContact CG-CG 4.31Å; L95-L99 VanDerWaalsContact O-CG 3.29Å; L95-L99 WeakPolarHBondContact O-CG 3.46Å; L95-L99 PolarHBondContact O-N 3.25Å; L95-I127 HydrophobicContact CD2-CG2 4.34Å; L95-M131 HydrophobicContact CD2-CE 3.44Å; L95-M131 VanDerWaalsContact CD2-CE 3.44Å; L95-M131 HydrophobicContact CG-CE 4.44Å; L95-W134 HydrophobicContact CG-CZ3 4.47Å
96R95.9Very high95.5Very high105 Ų10554.9 Ų54.940%0.39629%0.292SS..Hα-helixtrans-57.4-47.1175.9-174.1177.4179.2166.95.1112.3L92 D93 W94 K98 L99 D100 W134L92-R96 WeakPolarHBondContact O-CB 3.47Å; L92-R96 PolarHBondContact O-N 3.23Å; D93-R96 PolarHBondContact O-N 2.93Å; W94-R96 VanDerWaalsContact C-N 3.35Å; W94-R96 PolarHBondContact O-N 2.95Å; R96-K98 PolarHBondContact O-N 2.77Å; R96-L99 PolarHBondContact O-N 3.42Å; R96-L99 VanDerWaalsContact O-N 3.13Å; R96-D100 WeakPolarHBondContact CG-OD2 3.36Å; R96-D100 IonicContact NE-OD2 3.56Å; R96-D100 WeakPolarHBondContact O-CB 3.36Å; R96-D100 PolarHBondContact O-N 3.11Å; R96-W134 HydrophobicContact CB-CD2 4.47Å; R96-W134 HydrophobicContact CB-CE3 4.41Å; R96-W134 HydrophobicContact CB-CH2 3.75Å; R96-W134 HydrophobicContact CB-CZ2 3.79Å; R96-W134 HydrophobicContact CB-CZ3 4.07Å; R96-W134 HydrophobicContact CG-CD2 4.27Å; R96-W134 HydrophobicContact CG-CE3 4.49Å; R96-W134 HydrophobicContact CG-CZ2 4.3Å
97A96.9Very high95.6Very high65 Ų6550.7 Ų50.754%0.53727%0.273SS..Hα-helixtrans-61.3-30.7179.400000112.7D93 W94 L95 P101D93-A97 WeakPolarHBondContact O-CB 3.36Å; D93-A97 PolarHBondContact O-N 3.19Å; W94-A97 PolarHBondContact O-N 3.1Å; L95-A97 PolarHBondContact O-N 3.27Å; A97-P101 WeakPolarHBondContact O-CD 3.29Å
98K96.8Very high95.7Very high70 Ų7046.5 Ų46.530%0.30426%0.256SS..Hα-helixtrans-78.1-35.1174.6-69.1-74.4-167.1158.50113V58 E62 W94 L95 R96V58-K98 HydrophobicContact CB-CB 4.45Å; V58-K98 HydrophobicContact CG1-CB 3.77Å; V58-K98 HydrophobicContact CG1-CG 4.11Å; V58-K98 HydrophobicContact CG2-CB 3.77Å; E62-K98 IonicContact OE1-NZ 3.65Å; E62-K98 WeakPolarHBondContact OE2-CE 3.5Å; E62-K98 IonicContact OE2-NZ 2.89Å; E62-K98 PolarHBondContact OE2-NZ 3.13Å; W94-K98 HydrophobicContact CD2-CG 4.4Å; W94-K98 HydrophobicContact CH2-CG 4.44Å; W94-K98 HydrophobicContact CZ2-CG 4.07Å; W94-K98 WeakPolarHBondContact O-CG 3.13Å; W94-K98 PolarHBondContact O-N 2.82Å; W94-K98 VanDerWaalsContact O-N 3.14Å; L95-K98 WeakPolarHBondContact O-CB 3.43Å; L95-K98 PolarHBondContact O-N 3.47Å; L95-K98 VanDerWaalsContact O-N 3.15Å; R96-K98 PolarHBondContact O-N 2.77Å
99L95.7Very high95.7Very high1 Ų146.5 Ų46.51%0.00526%0.256CS..Hα-helixtrans-80.6-33.3-178.7-65178000113.7V43 V58 L95 R96 L102 R103 F107 F109 W134 L136V43-L99 HydrophobicContact CG2-CD2 3.83Å; V58-L99 HydrophobicContact CG2-CD2 4.38Å; L95-L99 HydrophobicContact CD1-CD1 4.01Å; L95-L99 HydrophobicContact CD1-CD2 4.46Å; L95-L99 HydrophobicContact CD1-CG 4.06Å; L95-L99 HydrophobicContact CG-CD1 3.87Å; L95-L99 HydrophobicContact CG-CG 4.31Å; L95-L99 VanDerWaalsContact O-CG 3.29Å; L95-L99 WeakPolarHBondContact O-CG 3.46Å; L95-L99 PolarHBondContact O-N 3.25Å; R96-L99 PolarHBondContact O-N 3.42Å; R96-L99 VanDerWaalsContact O-N 3.13Å; L99-L102 CarbonylContact O-C 3.32Å; L99-L102 WeakPolarHBondContact O-CA 3.31Å; L99-L102 WeakPolarHBondContact O-CB 3.37Å; L99-L102 PolarHBondContact O-N 3.24Å; L99-R103 PolarHBondContact O-N 2.86Å; L99-F107 HydrophobicContact CD2-CD1 4.04Å; L99-F107 HydrophobicContact CD2-CE1 3.66Å; L99-F107 HydrophobicContact CD2-CZ 4.32Å; L99-F109 HydrophobicContact CD1-CE1 4.26Å; L99-F109 HydrophobicContact CD1-CZ 4.22Å; L99-F109 HydrophobicContact CD2-CE1 4.24Å; L99-F109 HydrophobicContact CD2-CZ 4.35Å; L99-W134 HydrophobicContact CD1-CZ3 4.31Å; L99-L136 HydrophobicContact CD1-CD2 4.21Å
100D93.7Very high95.7Very high63 Ų6343.5 Ų43.534%0.33724%0.242SC..G310 helixtrans-61.6-38.8-175.7-80.7-18.2000114.3R96 L102 R103R96-D100 WeakPolarHBondContact CG-OD2 3.36Å; R96-D100 IonicContact NE-OD2 3.56Å; R96-D100 WeakPolarHBondContact O-CB 3.36Å; R96-D100 PolarHBondContact O-N 3.11Å; D100-L102 PolarHBondContact O-N 3.01Å; D100-R103 WeakPolarHBondContact O-CB 3.37Å; D100-R103 WeakPolarHBondContact O-CG 3.13Å; D100-R103 PolarHBondContact O-N 2.79Å; D100-R103 IonicContact OD1-CZ 3.57Å; D100-R103 IonicContact OD1-NE 2.69Å; D100-R103 PolarHBondContact OD1-NE 2.82Å; D100-R103 IonicContact OD1-NH2 2.77Å; D100-R103 PolarHBondContact OD1-NH2 2.87Å
101P94.4Very high95.6Very high103 Ų10339.6 Ų39.667%0.66921%0.21SC*.G310 helixtrans-63.5-22.2171.4-23.734.6000113.9A97 R103A97-P101 WeakPolarHBondContact O-CD 3.29Å; P101-R103 VanDerWaalsContact C-N 3.34Å
102L94.4Very high95.5Very high36 Ų3637 Ų3719%0.18820%0.196CC..G310 helixtrans-92.78.5-178.2-57.8174000112.4A41 A57 V58 L99 D100 G104 H105 F107A41-L102 HydrophobicContact CB-CD1 4.14Å; A57-L102 HydrophobicContact CB-CD1 3.89Å; V58-L102 HydrophobicContact CG2-CD1 3.83Å; L99-L102 CarbonylContact O-C 3.32Å; L99-L102 WeakPolarHBondContact O-CA 3.31Å; L99-L102 WeakPolarHBondContact O-CB 3.37Å; L99-L102 PolarHBondContact O-N 3.24Å; D100-L102 PolarHBondContact O-N 3.01Å; L102-G104 PolarHBondContact O-N 2.8Å; L102-H105 WeakPolarHBondContact O-CB 3.36Å; L102-H105 PolarHBondContact O-N 2.85Å; L102-H105 PolarHBondContact O-ND1 3.14Å; L102-F107 HydrophobicContact CB-CE1 3.8Å; L102-F107 HydrophobicContact CB-CZ 3.81Å; L102-F107 HydrophobicContact CD1-CE1 4.25Å
103R89.7Confident95.2Very high50 Ų5036.1 Ų36.119%0.18919%0.193CC..THydrogen-bonded Turntrans-54.9136.9177.6-70.9-77.7-178.5168.2-3.8112T7 L99 D100 P101 W134T7-R103 PolarHBondContact O-NH1 2.84Å; L99-R103 PolarHBondContact O-N 2.86Å; D100-R103 WeakPolarHBondContact O-CB 3.37Å; D100-R103 WeakPolarHBondContact O-CG 3.13Å; D100-R103 PolarHBondContact O-N 2.79Å; D100-R103 IonicContact OD1-CZ 3.57Å; D100-R103 IonicContact OD1-NE 2.69Å; D100-R103 PolarHBondContact OD1-NE 2.82Å; D100-R103 IonicContact OD1-NH2 2.77Å; D100-R103 PolarHBondContact OD1-NH2 2.87Å; P101-R103 VanDerWaalsContact C-N 3.34Å; R103-W134 VanDerWaalsContact CZ-O 3.31Å; R103-W134 PolarHBondContact NH1-O 3.1Å; R103-W134 PolarHBondContact NH2-O 2.77Å
104G88.9Confident94.9Very high22 Ų2231.8 Ų31.823%0.22717%0.168CC..THydrogen-bonded Turntrans82.96.1-173.200000114.9R39 L102R39-G104 PolarHBondContact NE-O 3.43Å; R39-G104 PolarHBondContact NH2-O 2.86Å; L102-G104 PolarHBondContact O-N 2.8Å
105H94.4Very high94.4Very high46 Ų4631.1 Ų31.121%0.21317%0.17CC..SBendtrans-87.6155.6157.3-62.577.5000109.9R39 A41 L102R39-H105 VanDerWaalsContact CB-CD2 3.5Å; R39-H105 WeakPolarHBondContact CB-CD2 3.49Å; R39-H105 CarbonylContact O-C 3.6Å; R39-H105 WeakPolarHBondContact O-CA 3.45Å; A41-H105 HydrophobicContact CB-CB 3.94Å; L102-H105 WeakPolarHBondContact O-CB 3.36Å; L102-H105 PolarHBondContact O-N 2.85Å; L102-H105 PolarHBondContact O-ND1 3.14Å
106Y95.7Very high94.1Very high7 Ų734.8 Ų34.83%0.02719%0.187CC..EExtended strand (participates in β ladder)trans-84.1128.1163.7-166.8-81.8000108.5F10 Q12 L33 R39 V40 A41 L108 V255 D256 Y261F10-Y106 HydrophobicContact CB-CD2 4.11Å; F10-Y106 HydrophobicContact CB-CE2 4.11Å; F10-Y106 WeakPolarHBondContact O-CA 3.46Å; Q12-Y106 HydrophobicContact CG-CE1 3.84Å; Q12-Y106 PolarHBondContact NE2-OH 2.93Å; Q12-Y106 VanDerWaalsContact NE2-OH 3.08Å; L33-Y106 HydrophobicContact CD1-CD1 3.84Å; L33-Y106 HydrophobicContact CD1-CE1 4.01Å; R39-Y106 PolarHBondContact O-N 2.96Å; V40-Y106 WeakPolarHBondContact CA-O 3.39Å; A41-Y106 PolarHBondContact N-O 3.33Å; Y106-L108 HydrophobicContact CD1-CD2 4.3Å; Y106-L108 HydrophobicContact CE1-CD2 4.01Å; Y106-V255 WeakPolarHBondContact OH-CG1 3.26Å; Y106-D256 WeakPolarHBondContact CE2-OD1 3.35Å; Y106-D256 PolarHBondContact OH-OD1 3.34Å; Y106-Y261 HydrophobicContact CD2-CD2 4.11Å; Y106-Y261 HydrophobicContact CD2-CE2 4.12Å; Y106-Y261 HydrophobicContact CE2-CD2 4.18Å; Y106-Y261 HydrophobicContact CE2-CG 4.31Å
107F97.8Very high93.8Very high1 Ų129.9 Ų29.90%0.00417%0.169CC..EExtended strand (participates in β ladder)trans-95.5137.6-174.4-68.2-79.1000112.2A9 F10 G11 Q12 A41 V43 L99 L102 F109 L136A9-F107 HydrophobicContact CB-CD2 4.05Å; A9-F107 HydrophobicContact CB-CE2 3.74Å; F10-F107 PolarHBondContact O-N 3.49Å; G11-F107 CarbonylContact C-O 3.6Å; G11-F107 WeakPolarHBondContact CA-O 3.34Å; Q12-F107 PolarHBondContact N-O 3.23Å; A41-F107 HydrophobicContact CB-CD1 3.85Å; A41-F107 HydrophobicContact CB-CE1 3.89Å; A41-F107 WeakPolarHBondContact O-CA 3.2Å; V43-F107 HydrophobicContact CG2-CD1 4.13Å; L99-F107 HydrophobicContact CD2-CD1 4.04Å; L99-F107 HydrophobicContact CD2-CE1 3.66Å; L99-F107 HydrophobicContact CD2-CZ 4.32Å; L102-F107 HydrophobicContact CB-CE1 3.8Å; L102-F107 HydrophobicContact CB-CZ 3.81Å; L102-F107 HydrophobicContact CD1-CE1 4.25Å; F107-F109 HydrophobicContact CB-CD2 4.16Å; F107-F109 HydrophobicContact CB-CE2 3.48Å; F107-F109 VanDerWaalsContact CB-CE2 3.48Å; F107-F109 HydrophobicContact CB-CZ 3.96Å; F107-F109 HydrophobicContact CD1-CZ 4.42Å; F107-F109 HydrophobicContact CG-CE2 4.21Å; F107-F109 HydrophobicContact CG-CZ 4.23Å; F107-L136 HydrophobicContact CD2-CD2 4.48Å
108L98.3Very high93.3Very high0 Ų027 Ų270%015%0.145CC..EExtended strand (participates in β ladder)trans-119.1115.2166.4-62.2177.7000107.9Q12 M29 L33 V40 A41 V42 V43 Y106Q12-L108 HydrophobicContact CB-CD2 3.78Å; Q12-L108 HydrophobicContact CG-CD2 3.86Å; M29-L108 HydrophobicContact CB-CD1 4.16Å; M29-L108 HydrophobicContact CG-CD1 4.06Å; M29-L108 HydrophobicContact CG-CD2 4.08Å; L33-L108 HydrophobicContact CD1-CD1 4.23Å; L33-L108 HydrophobicContact CD1-CD2 4.28Å; L33-L108 HydrophobicContact CD1-CG 4.47Å; V40-L108 HydrophobicContact CG1-CD1 3.96Å; V40-L108 HydrophobicContact CG1-CG 4.14Å; A41-L108 PolarHBondContact O-N 3.5Å; V42-L108 CarbonylContact C-O 3.41Å; V42-L108 WeakPolarHBondContact CA-O 3.45Å; V42-L108 HydrophobicContact CG1-CB 4.43Å; V42-L108 HydrophobicContact CG2-CB 4.46Å; V42-L108 HydrophobicContact CG2-CD1 4.37Å; V43-L108 PolarHBondContact N-O 3.27Å; Y106-L108 HydrophobicContact CD1-CD2 4.3Å; Y106-L108 HydrophobicContact CE1-CD2 4.01Å
109F98Very high92.8Very high0 Ų025.1 Ų25.10%014%0.139CC..EExtended strand (participates in β ladder)trans-98.7110177.5-63.7-88.6000109.6Q12 V14 V43 L45 L99 F107 C111 M131 L136 L138Q12-F109 PolarHBondContact O-N 3.49Å; V14-F109 WeakPolarHBondContact CB-O 3.35Å; V14-F109 PolarHBondContact N-O 3.37Å; V43-F109 HydrophobicContact CB-CD1 3.59Å; V43-F109 HydrophobicContact CB-CE1 3.85Å; V43-F109 HydrophobicContact CB-CG 4.38Å; V43-F109 HydrophobicContact CG1-CD1 3.59Å; V43-F109 HydrophobicContact CG1-CE1 3.78Å; V43-F109 HydrophobicContact CG2-CD1 4.15Å; V43-F109 HydrophobicContact CG2-CE1 3.92Å; V43-F109 CarbonylContact O-C 3.56Å; V43-F109 WeakPolarHBondContact O-CA 3.36Å; L45-F109 HydrophobicContact CD1-CB 4.18Å; L45-F109 HydrophobicContact CD1-CD1 3.92Å; L45-F109 HydrophobicContact CD1-CG 4.44Å; L45-F109 HydrophobicContact CG-CD1 4.22Å; L99-F109 HydrophobicContact CD1-CE1 4.26Å; L99-F109 HydrophobicContact CD1-CZ 4.22Å; L99-F109 HydrophobicContact CD2-CE1 4.24Å; L99-F109 HydrophobicContact CD2-CZ 4.35Å; F107-F109 HydrophobicContact CB-CD2 4.16Å; F107-F109 HydrophobicContact CB-CE2 3.48Å; F107-F109 VanDerWaalsContact CB-CE2 3.48Å; F107-F109 HydrophobicContact CB-CZ 3.96Å; F107-F109 HydrophobicContact CD1-CZ 4.42Å; F107-F109 HydrophobicContact CG-CE2 4.21Å; F107-F109 HydrophobicContact CG-CZ 4.23Å; F109-C111 PolarHBondContact O-N 3.4Å; F109-M131 HydrophobicContact CD1-CE 3.89Å; F109-M131 HydrophobicContact CE1-CE 3.42Å; F109-M131 VanDerWaalsContact CE1-CE 3.42Å; F109-M131 HydrophobicContact CE1-SD 4.03Å; F109-M131 HydrophobicContact CE2-SD 4.25Å; F109-M131 HydrophobicContact CZ-CE 3.87Å; F109-M131 HydrophobicContact CZ-SD 3.87Å; F109-L136 HydrophobicContact CE2-CD2 4.47Å; F109-L136 HydrophobicContact CZ-CD2 4.08Å; F109-L138 HydrophobicContact CD2-CD1 4.36Å; F109-L138 HydrophobicContact CD2-CD2 4.15Å; F109-L138 HydrophobicContact CE2-CD1 4.15Å; F109-L138 HydrophobicContact CE2-CD2 3.72Å
110D97.1Very high92.3Very high0 Ų031.1 Ų31.10%017%0.167CC..EExtended strand (participates in β ladder)trans-82.2105.9173.2-163.88.7000108.4K22 T23 C26 V43 L45 Y54K22-D110 WeakPolarHBondContact CB-OD1 3.41Å; T23-D110 WeakPolarHBondContact CA-OD2 3.18Å; T23-D110 VanDerWaalsContact CB-OD2 3.27Å; T23-D110 WeakPolarHBondContact CB-OD2 3.49Å; T23-D110 WeakPolarHBondContact CG2-OD2 3.45Å; T23-D110 PolarHBondContact N-OD1 3.47Å; T23-D110 PolarHBondContact OG1-OD2 3.08Å; C26-D110 HydrophobicContact CB-CB 4.5Å; V43-D110 PolarHBondContact O-N 3.47Å; L45-D110 WeakPolarHBondContact CA-O 3.4Å; L45-D110 WeakPolarHBondContact CB-O 3.46Å; L45-D110 PolarHBondContact N-O 2.92Å; Y54-D110 VanDerWaalsContact OH-CB 3.24Å; Y54-D110 WeakPolarHBondContact OH-CB 3.45Å; Y54-D110 PolarHBondContact OH-OD2 3.32Å
111C95.7Very high92.3Very high0 Ų029.7 Ų29.70%016%0.158CC..  trans-92.5156.5-173.2-55.70000111.6V14 I15 K22 F109V14-C111 WeakPolarHBondContact O-CB 3.39Å; V14-C111 PolarHBondContact O-N 3.49Å; V14-C111 VanDerWaalsContact O-N 3.15Å; V14-C111 PolarHBondContact O-SG 2.88Å; I15-C111 HydrophobicContact CG2-CB 3.92Å; K22-C111 WeakPolarHBondContact CE-O 3.35Å; F109-C111 PolarHBondContact O-N 3.4Å
112P94.1Very high92.1Very high0 Ų026.6 Ų26.60%015%0.145CC..  trans-56.8149.6175.5-14.221.9000112.6L45 D46 L81 M85 Q114 L117L45-P112 WeakPolarHBondContact O-CD 3.32Å; L45-P112 WeakPolarHBondContact O-CG 3.49Å; D46-P112 HydrophobicContact CB-CB 4.36Å; D46-P112 HydrophobicContact CB-CG 4.44Å; L81-P112 HydrophobicContact CD1-CB 4.16Å; L81-P112 HydrophobicContact CD1-CG 4.4Å; L81-P112 HydrophobicContact CD2-CB 3.87Å; L81-P112 HydrophobicContact CG-CB 4.43Å; M85-P112 HydrophobicContact CE-CG 4.22Å; M85-P112 HydrophobicContact CG-CG 4.33Å; M85-P112 HydrophobicContact SD-CG 3.63Å; P112-Q114 VanDerWaalsContact C-N 3.34Å; P112-Q114 PolarHBondContact O-N 3.27Å; P112-L117 HydrophobicContact CB-CD1 3.7Å; P112-L117 HydrophobicContact CG-CD1 3.91Å
113G89.9Confident92.1Very high4 Ų424.9 Ų24.94%0.04114%0.136CC..  trans-78.8-9.4-174.800000116.6P17 P18 V115P17-G113 CarbonylContact C-O 3.52Å; P17-G113 WeakPolarHBondContact CA-O 3.45Å; P18-G113 WeakPolarHBondContact CD-O 3.35Å; P18-G113 WeakPolarHBondContact CG-O 3.42Å; P18-G113 VanDerWaalsContact N-O 3.16Å; G113-V115 PolarHBondContact O-N 2.93Å
114Q91.2Very high92.3Very high38 Ų3822.5 Ų22.518%0.17813%0.127CC..  trans-73.9120.4-169.7-77.872.6-5.100109.8L81 P112 E116 L117L81-Q114 HydrophobicContact CD2-CB 3.79Å; L81-Q114 HydrophobicContact CD2-CG 3.42Å; L81-Q114 VanDerWaalsContact CD2-CG 3.42Å; L81-Q114 VanDerWaalsContact CD2-NE2 3.29Å; P112-Q114 VanDerWaalsContact C-N 3.34Å; P112-Q114 PolarHBondContact O-N 3.27Å; Q114-E116 PolarHBondContact O-N 3.43Å; Q114-L117 HydrophobicContact CB-CD1 4.07Å; Q114-L117 HydrophobicContact CB-CG 4.29Å; Q114-L117 WeakPolarHBondContact O-CB 3.39Å; Q114-L117 PolarHBondContact O-N 2.9Å; Q114-L117 VanDerWaalsContact O-N 3.13Å
115V87.5Confident92.5Very high43 Ų4326.1 Ų26.126%0.26113%0.134SC..Hα-helixtrans-64.3-30-171.9178.30000111.2P17 G113 L117 C118 T119 T161P17-V115 HydrophobicContact CB-CG2 3.72Å; G113-V115 PolarHBondContact O-N 2.93Å; V115-L117 PolarHBondContact O-N 2.81Å; V115-C118 PolarHBondContact O-N 2.88Å; V115-C118 VanDerWaalsContact O-N 3.11Å; V115-T119 HydrophobicContact CG1-CG2 3.63Å; V115-T119 WeakPolarHBondContact O-CB 3.42Å; V115-T119 WeakPolarHBondContact O-CG2 3.4Å; V115-T119 PolarHBondContact O-N 2.76Å; V115-T119 PolarHBondContact O-OG1 3.09Å; V115-T161 HydrophobicContact CG1-CG2 3.63Å
116E89.8Confident92.6Very high76 Ų7626 Ų2636%0.35514%0.138SC..Hα-helixtrans-58.5-34.9177.9-59.688.4166.400112.1Q114 C118 H120 H121Q114-E116 PolarHBondContact O-N 3.43Å; E116-C118 VanDerWaalsContact C-N 3.3Å; E116-C118 PolarHBondContact O-N 2.79Å; E116-H120 VanDerWaalsContact CA-CE1 3.45Å; E116-H120 WeakPolarHBondContact CA-CE1 3.38Å; E116-H120 WeakPolarHBondContact CB-CE1 3.38Å; E116-H120 PolarHBondContact O-N 2.84Å; E116-H120 PolarHBondContact O-ND1 3.19Å; E116-H121 WeakPolarHBondContact O-CB 3.41Å; E116-H121 PolarHBondContact O-N 3.13Å
117L89.1Confident92.6Very high2 Ų225.6 Ų25.61%0.0114%0.137CC..Hα-helixtrans-67.7-31179.2-66.6171.6000112.9L81 L82 M85 P112 Q114 V115 H121 L124L81-L117 HydrophobicContact CD2-CD1 3.8Å; L81-L117 HydrophobicContact CG-CD1 4.2Å; L82-L117 HydrophobicContact CD2-CD2 3.96Å; L82-L117 HydrophobicContact CG-CD2 4.39Å; M85-L117 HydrophobicContact CB-CD2 4.15Å; M85-L117 HydrophobicContact CG-CD1 3.91Å; M85-L117 HydrophobicContact CG-CD2 3.91Å; P112-L117 HydrophobicContact CB-CD1 3.7Å; P112-L117 HydrophobicContact CG-CD1 3.91Å; Q114-L117 HydrophobicContact CB-CD1 4.07Å; Q114-L117 HydrophobicContact CB-CG 4.29Å; Q114-L117 WeakPolarHBondContact O-CB 3.39Å; Q114-L117 PolarHBondContact O-N 2.9Å; Q114-L117 VanDerWaalsContact O-N 3.13Å; V115-L117 PolarHBondContact O-N 2.81Å; L117-H121 HydrophobicContact CD2-CB 4.28Å; L117-L124 HydrophobicContact CB-CD1 3.63Å; L117-L124 HydrophobicContact CB-CG 4.19Å
118C86.3Confident92.5Very high4 Ų425.6 Ų25.63%0.02714%0.137CC..Hα-helixtrans-96-20.3-177.2-63.50000113.1V115 E116 T165 H168V115-C118 PolarHBondContact O-N 2.88Å; V115-C118 VanDerWaalsContact O-N 3.11Å; E116-C118 VanDerWaalsContact C-N 3.3Å; E116-C118 PolarHBondContact O-N 2.79Å; C118-T165 HydrophobicContact CB-CG2 3.86Å; C118-H168 PolarHBondContact O-CD2 3.27Å; C118-H168 VanDerWaalsContact O-CD2 3.3Å
119T86.4Confident92.4Very high32 Ų3227.9 Ų27.920%0.19615%0.152CC..Hα-helixtrans-100.6-33.3-173.2510000114.7V115 T161 A164V115-T119 HydrophobicContact CG1-CG2 3.63Å; V115-T119 WeakPolarHBondContact O-CB 3.42Å; V115-T119 WeakPolarHBondContact O-CG2 3.4Å; V115-T119 PolarHBondContact O-N 2.76Å; V115-T119 PolarHBondContact O-OG1 3.09Å; T119-T161 HydrophobicContact CG2-CG2 3.99Å; T119-A164 HydrophobicContact CG2-CB 4.47Å
120H86.4Confident92.3Very high127 Ų12730.3 Ų30.359%0.58816%0.164SC*.THydrogen-bonded Turntrans-148.3-23-176.161.5-83.2000115.3E116 H168E116-H120 VanDerWaalsContact CA-CE1 3.45Å; E116-H120 WeakPolarHBondContact CA-CE1 3.38Å; E116-H120 WeakPolarHBondContact CB-CE1 3.38Å; E116-H120 PolarHBondContact O-N 2.84Å; E116-H120 PolarHBondContact O-ND1 3.19Å; H120-H168 PolarHBondContact O-CE1 3.28Å
121H92.5Very high92.2Very high33 Ų3330.3 Ų30.315%0.15316%0.164CC..  trans-73.8136.5178-163.8-93.5000112.3L82 E86 E116 L117 A123 H168L82-H121 HydrophobicContact CD2-CB 4.22Å; L82-H121 WeakPolarHBondContact CD2-CD2 3.41Å; E86-H121 IonicContact OE1-CE1 3.02Å; E86-H121 IonicContact OE1-NE2 3.36Å; E86-H121 PolarHBondContact OE1-NE2 3.45Å; E116-H121 WeakPolarHBondContact O-CB 3.41Å; E116-H121 PolarHBondContact O-N 3.13Å; L117-H121 HydrophobicContact CD2-CB 4.28Å; H121-A123 WeakPolarHBondContact ND1-CB 3.34Å; H121-A123 PolarHBondContact ND1-N 3.48Å; H121-A123 PolarHBondContact O-N 2.94Å; H121-H168 PolarHBondContact O-NE2 3.48Å
122G92Very high92.1Very high38 Ų3832.9 Ų32.939%0.39219%0.185SC..Hα-helixtrans-73.8-25-173.300000115.8L124 R125 S126G122-L124 PolarHBondContact O-N 2.96Å; G122-R125 PolarHBondContact O-N 3.08Å; G122-S126 WeakPolarHBondContact O-CB 3.47Å; G122-S126 PolarHBondContact O-N 3.33Å
123A93.4Very high92.1Very high0 Ų039.6 Ų39.60%022%0.216CC..Hα-helixtrans-57.8-51.5-167.700000114.2M85 E89 H121 R125 S126 I127M85-A123 HydrophobicContact CB-CB 3.98Å; E89-A123 HydrophobicContact CB-CB 4.48Å; E89-A123 WeakPolarHBondContact OE2-CA 2.93Å; E89-A123 WeakPolarHBondContact OE2-CB 3.37Å; H121-A123 WeakPolarHBondContact ND1-CB 3.34Å; H121-A123 PolarHBondContact ND1-N 3.48Å; H121-A123 PolarHBondContact O-N 2.94Å; A123-R125 PolarHBondContact O-N 3.02Å; A123-S126 WeakPolarHBondContact O-CB 3.49Å; A123-S126 PolarHBondContact O-N 3.45Å; A123-I127 WeakPolarHBondContact O-CB 3.33Å; A123-I127 WeakPolarHBondContact O-CD1 3.26Å; A123-I127 WeakPolarHBondContact O-CG1 3.5Å; A123-I127 PolarHBondContact O-N 3.1Å
124L93.4Very high92.3Very high0 Ų040.2 Ų40.20%022%0.217CC..Hα-helixtrans-61.6-44.2-179.7-79-176.2000112.1M85 L117 G122 S126 I127 F128M85-L124 HydrophobicContact SD-CD2 4.31Å; L117-L124 HydrophobicContact CB-CD1 3.63Å; L117-L124 HydrophobicContact CB-CG 4.19Å; G122-L124 PolarHBondContact O-N 2.96Å; L124-S126 VanDerWaalsContact C-N 3.31Å; L124-S126 PolarHBondContact O-N 3.05Å; L124-I127 HydrophobicContact CD2-CD1 4.49Å; L124-I127 PolarHBondContact O-N 2.83Å; L124-F128 HydrophobicContact CB-CE2 4.09Å; L124-F128 HydrophobicContact CD2-CZ 4.24Å; L124-F128 WeakPolarHBondContact O-CD2 3.33Å; L124-F128 VanDerWaalsContact O-CG 3.3Å; L124-F128 WeakPolarHBondContact O-CG 3.41Å; L124-F128 PolarHBondContact O-N 3.22Å
125R94.4Very high92.4Very high97 Ų9741.2 Ų41.237%0.36622%0.224SC..Hα-helixtrans-57.8-44.8175.6-179.7-166.8170.1-120.11.9111.2G122 A123 F128 S129 H168 E170G122-R125 PolarHBondContact O-N 3.08Å; A123-R125 PolarHBondContact O-N 3.02Å; R125-F128 PolarHBondContact O-N 2.98Å; R125-S129 VanDerWaalsContact O-CB 3.28Å; R125-S129 WeakPolarHBondContact O-CB 3.21Å; R125-S129 PolarHBondContact O-N 3.46Å; R125-S129 PolarHBondContact O-OG 2.99Å; R125-H168 WeakPolarHBondContact CD-O 3.35Å; R125-H168 WeakPolarHBondContact CG-O 3.43Å; R125-E170 IonicContact CZ-OE1 3.84Å; R125-E170 IonicContact CZ-OE2 3.37Å; R125-E170 VanDerWaalsContact CZ-OE2 3.22Å; R125-E170 VanDerWaalsContact NE-CD 3.32Å; R125-E170 IonicContact NE-OE1 3.81Å; R125-E170 IonicContact NE-OE2 3.22Å; R125-E170 PolarHBondContact NE-OE2 3.49Å; R125-E170 VanDerWaalsContact NH2-CD 3.32Å; R125-E170 IonicContact NH2-OE1 3.1Å; R125-E170 PolarHBondContact NH2-OE1 2.79Å; R125-E170 IonicContact NH2-OE2 3.62Å; R125-E170 PolarHBondContact NH2-OE2 2.98Å
126S95.3Very high92.8Very high43 Ų4339.3 Ų39.330%0.30121%0.212SC..Hα-helixtrans-64.2-45.8179.3-172.40000111.9E89 G122 A123 L124 F128 S129 Q130E89-S126 WeakPolarHBondContact OE1-CB 3.35Å; E89-S126 PolarHBondContact OE1-OG 3.5Å; G122-S126 WeakPolarHBondContact O-CB 3.47Å; G122-S126 PolarHBondContact O-N 3.33Å; A123-S126 WeakPolarHBondContact O-CB 3.49Å; A123-S126 PolarHBondContact O-N 3.45Å; L124-S126 VanDerWaalsContact C-N 3.31Å; L124-S126 PolarHBondContact O-N 3.05Å; S126-F128 PolarHBondContact O-N 3.07Å; S126-S129 WeakPolarHBondContact O-CB 3.37Å; S126-S129 PolarHBondContact O-N 2.96Å; S126-Q130 WeakPolarHBondContact O-CB 3.46Å; S126-Q130 PolarHBondContact O-N 3.43Å
127I96.2Very high93.1Very high0 Ų042 Ų420%022%0.219CC..Hα-helixtrans-57.2-50.4175-67.4161.3000110.6L88 E89 L92 L95 A123 L124 Q130 M131L88-I127 HydrophobicContact CB-CD1 4.49Å; L88-I127 HydrophobicContact CD2-CD1 3.9Å; L88-I127 HydrophobicContact CG-CD1 4.08Å; E89-I127 HydrophobicContact CB-CD1 4.42Å; E89-I127 HydrophobicContact CB-CG1 4.18Å; L92-I127 HydrophobicContact CD2-CB 4.36Å; L92-I127 HydrophobicContact CD2-CG1 4.04Å; L92-I127 HydrophobicContact CD2-CG2 4.12Å; L95-I127 HydrophobicContact CD2-CG2 4.34Å; A123-I127 WeakPolarHBondContact O-CB 3.33Å; A123-I127 WeakPolarHBondContact O-CD1 3.26Å; A123-I127 WeakPolarHBondContact O-CG1 3.5Å; A123-I127 PolarHBondContact O-N 3.1Å; L124-I127 HydrophobicContact CD2-CD1 4.49Å; L124-I127 PolarHBondContact O-N 2.83Å; I127-Q130 PolarHBondContact O-N 2.87Å; I127-M131 HydrophobicContact CG2-CE 3.71Å; I127-M131 HydrophobicContact CG2-SD 4.43Å; I127-M131 WeakPolarHBondContact O-CG 3.48Å; I127-M131 PolarHBondContact O-N 2.66Å
128F95.8Very high93.4Very high1 Ų142.3 Ų42.30%0.00422%0.221CC..Hα-helixtrans-66.5-38.2179-61.7-37.9000112.8A13 L124 R125 S126 Q130 M131 A132 L138 V169 L171A13-F128 HydrophobicContact CB-CD1 4.35Å; A13-F128 HydrophobicContact CB-CE1 3.78Å; A13-F128 HydrophobicContact CB-CE2 4.25Å; A13-F128 HydrophobicContact CB-CZ 3.72Å; L124-F128 HydrophobicContact CB-CE2 4.09Å; L124-F128 HydrophobicContact CD2-CZ 4.24Å; L124-F128 WeakPolarHBondContact O-CD2 3.33Å; L124-F128 VanDerWaalsContact O-CG 3.3Å; L124-F128 WeakPolarHBondContact O-CG 3.41Å; L124-F128 PolarHBondContact O-N 3.22Å; R125-F128 PolarHBondContact O-N 2.98Å; S126-F128 PolarHBondContact O-N 3.07Å; F128-Q130 VanDerWaalsContact C-N 3.27Å; F128-Q130 PolarHBondContact O-N 3.33Å; F128-M131 HydrophobicContact CD1-SD 3.99Å; F128-M131 WeakPolarHBondContact O-CB 3.23Å; F128-M131 PolarHBondContact O-N 3.41Å; F128-A132 PolarHBondContact O-N 3.38Å; F128-L138 HydrophobicContact CD1-CD1 4.17Å; F128-V169 HydrophobicContact CD2-CG1 3.94Å; F128-V169 HydrophobicContact CE2-CG1 4.17Å; F128-L171 HydrophobicContact CB-CD1 4.04Å; F128-L171 HydrophobicContact CB-CG 4.45Å; F128-L171 HydrophobicContact CD2-CD1 3.97Å; F128-L171 HydrophobicContact CG-CD1 3.97Å
129S95.6Very high94Very high47 Ų4742.1 Ų42.133%0.32922%0.219SC..Hα-helixtrans-60.4-40.2173.9-62.40000111.2R125 S126 A132 Q133R125-S129 VanDerWaalsContact O-CB 3.28Å; R125-S129 WeakPolarHBondContact O-CB 3.21Å; R125-S129 PolarHBondContact O-N 3.46Å; R125-S129 PolarHBondContact O-OG 2.99Å; S126-S129 WeakPolarHBondContact O-CB 3.37Å; S126-S129 PolarHBondContact O-N 2.96Å; S129-A132 WeakPolarHBondContact O-CB 3.42Å; S129-A132 PolarHBondContact O-N 3.21Å; S129-Q133 WeakPolarHBondContact O-CG 3.33Å; S129-Q133 PolarHBondContact O-N 3.23Å
130Q95.7Very high94.5Very high52 Ų5240.6 Ų40.624%0.24321%0.21CC..Hα-helixtrans-68.9-39.1176.5-170.959.658.300112.1L92 S126 I127 F128 A132 Q133 W134L92-Q130 HydrophobicContact CD1-CB 3.75Å; L92-Q130 HydrophobicContact CD1-CG 3.69Å; S126-Q130 WeakPolarHBondContact O-CB 3.46Å; S126-Q130 PolarHBondContact O-N 3.43Å; I127-Q130 PolarHBondContact O-N 2.87Å; F128-Q130 VanDerWaalsContact C-N 3.27Å; F128-Q130 PolarHBondContact O-N 3.33Å; Q130-A132 VanDerWaalsContact C-N 3.31Å; Q130-A132 PolarHBondContact O-N 3.43Å; Q130-Q133 WeakPolarHBondContact O-CB 3.32Å; Q130-Q133 PolarHBondContact O-N 2.83Å; Q130-W134 HydrophobicContact CG-CD2 4.48Å; Q130-W134 HydrophobicContact CG-CH2 4.1Å; Q130-W134 HydrophobicContact CG-CZ2 3.42Å; Q130-W134 VanDerWaalsContact CG-CZ2 3.42Å; Q130-W134 PolarHBondContact O-N 3.15Å
131M95.3Very high95Very high0 Ų034.5 Ų34.50%018%0.182CC..Hα-helixtrans-60.4-40.5172.7-70.4175.7178.700111.8L45 L95 F109 I127 F128 Q133 W134 L136 L138L45-M131 HydrophobicContact CD1-CE 4.48Å; L95-M131 HydrophobicContact CD2-CE 3.44Å; L95-M131 VanDerWaalsContact CD2-CE 3.44Å; L95-M131 HydrophobicContact CG-CE 4.44Å; F109-M131 HydrophobicContact CD1-CE 3.89Å; F109-M131 HydrophobicContact CE1-CE 3.42Å; F109-M131 VanDerWaalsContact CE1-CE 3.42Å; F109-M131 HydrophobicContact CE1-SD 4.03Å; F109-M131 HydrophobicContact CE2-SD 4.25Å; F109-M131 HydrophobicContact CZ-CE 3.87Å; F109-M131 HydrophobicContact CZ-SD 3.87Å; I127-M131 HydrophobicContact CG2-CE 3.71Å; I127-M131 HydrophobicContact CG2-SD 4.43Å; I127-M131 WeakPolarHBondContact O-CG 3.48Å; I127-M131 PolarHBondContact O-N 2.66Å; F128-M131 HydrophobicContact CD1-SD 3.99Å; F128-M131 WeakPolarHBondContact O-CB 3.23Å; F128-M131 PolarHBondContact O-N 3.41Å; M131-Q133 VanDerWaalsContact C-N 3.3Å; M131-Q133 PolarHBondContact O-N 2.68Å; M131-W134 HydrophobicContact CB-CE3 4.45Å; M131-W134 HydrophobicContact CG-CE3 4.13Å; M131-W134 HydrophobicContact CG-CZ3 4.04Å; M131-W134 CarbonylContact O-C 3.57Å; M131-W134 WeakPolarHBondContact O-CA 3.29Å; M131-W134 WeakPolarHBondContact O-CB 3.5Å; M131-W134 PolarHBondContact O-N 2.75Å; M131-L136 HydrophobicContact CB-CB 4.24Å; M131-L136 HydrophobicContact CB-CD2 4.23Å; M131-L136 HydrophobicContact CG-CD2 4.39Å; M131-L136 WeakPolarHBondContact O-CB 3.46Å; M131-L136 PolarHBondContact O-N 2.92Å; M131-L138 HydrophobicContact CB-CD1 4.18Å; M131-L138 HydrophobicContact SD-CD1 3.66Å
132A94.1Very high95.2Very high53 Ų5333.1 Ų33.144%0.43818%0.176SC..Hα-helixtrans-60.5-38.9175.200000112.1F128 S129 Q130 W134 D135F128-A132 PolarHBondContact O-N 3.38Å; S129-A132 WeakPolarHBondContact O-CB 3.42Å; S129-A132 PolarHBondContact O-N 3.21Å; Q130-A132 VanDerWaalsContact C-N 3.31Å; Q130-A132 PolarHBondContact O-N 3.43Å; A132-W134 PolarHBondContact O-N 3.48Å; A132-D135 PolarHBondContact O-N 2.87Å
133Q94.3Very high95.5Very high141 Ų14131.4 Ų31.466%0.65916%0.158SC*.Hα-helixtrans-64.8-22.8173.2-63.9174.623.100113.2S129 Q130 M131 D135S129-Q133 WeakPolarHBondContact O-CG 3.33Å; S129-Q133 PolarHBondContact O-N 3.23Å; Q130-Q133 WeakPolarHBondContact O-CB 3.32Å; Q130-Q133 PolarHBondContact O-N 2.83Å; M131-Q133 VanDerWaalsContact C-N 3.3Å; M131-Q133 PolarHBondContact O-N 2.68Å; Q133-D135 PolarHBondContact O-N 2.9Å
134W94.6Very high95.5Very high18 Ų1831.6 Ų31.67%0.06816%0.158CC..THydrogen-bonded Turntrans-86.614.5173.7-55.1-23.1000113.2L92 L95 R96 L99 R103 Q130 M131 A132 L136L92-W134 HydrophobicContact CB-CH2 3.95Å; L92-W134 HydrophobicContact CB-CZ2 4.03Å; L92-W134 HydrophobicContact CD2-CH2 4.07Å; L92-W134 WeakPolarHBondContact O-CH2 3Å; L95-W134 HydrophobicContact CG-CZ3 4.47Å; R96-W134 HydrophobicContact CB-CD2 4.47Å; R96-W134 HydrophobicContact CB-CE3 4.41Å; R96-W134 HydrophobicContact CB-CH2 3.75Å; R96-W134 HydrophobicContact CB-CZ2 3.79Å; R96-W134 HydrophobicContact CB-CZ3 4.07Å; R96-W134 HydrophobicContact CG-CD2 4.27Å; R96-W134 HydrophobicContact CG-CE3 4.49Å; R96-W134 HydrophobicContact CG-CZ2 4.3Å; L99-W134 HydrophobicContact CD1-CZ3 4.31Å; R103-W134 VanDerWaalsContact CZ-O 3.31Å; R103-W134 PolarHBondContact NH1-O 3.1Å; R103-W134 PolarHBondContact NH2-O 2.77Å; Q130-W134 HydrophobicContact CG-CD2 4.48Å; Q130-W134 HydrophobicContact CG-CH2 4.1Å; Q130-W134 HydrophobicContact CG-CZ2 3.42Å; Q130-W134 VanDerWaalsContact CG-CZ2 3.42Å; Q130-W134 PolarHBondContact O-N 3.15Å; M131-W134 HydrophobicContact CB-CE3 4.45Å; M131-W134 HydrophobicContact CG-CE3 4.13Å; M131-W134 HydrophobicContact CG-CZ3 4.04Å; M131-W134 CarbonylContact O-C 3.57Å; M131-W134 WeakPolarHBondContact O-CA 3.29Å; M131-W134 WeakPolarHBondContact O-CB 3.5Å; M131-W134 PolarHBondContact O-N 2.75Å; A132-W134 PolarHBondContact O-N 3.48Å; W134-L136 VanDerWaalsContact C-N 3.33Å; W134-L136 HydrophobicContact CB-CD1 3.94Å; W134-L136 WeakPolarHBondContact O-CD1 3.24Å
135D93.5Very high95.5Very high58 Ų5832.4 Ų32.431%0.3116%0.163SC..THydrogen-bonded Turntrans62.436.5-177.8-158.132.4000112.9T8 A9 A132 Q133T8-D135 WeakPolarHBondContact CA-O 3.35Å; T8-D135 WeakPolarHBondContact CA-OD2 3.37Å; T8-D135 VanDerWaalsContact CB-OD2 3.31Å; T8-D135 WeakPolarHBondContact CB-OD2 3.47Å; T8-D135 PolarHBondContact N-OD2 3.42Å; T8-D135 PolarHBondContact OG1-OD1 3.29Å; T8-D135 PolarHBondContact OG1-OD2 3.43Å; A9-D135 PolarHBondContact N-O 3.44Å; A132-D135 PolarHBondContact O-N 2.87Å; Q133-D135 PolarHBondContact O-N 2.9Å
136L95.2Very high95.4Very high4 Ų427.8 Ų27.82%0.02115%0.146CC..EExtended strand (participates in β ladder)trans-97.8115.6167-8065.8000109.3A9 L99 F107 F109 M131 W134 L138A9-L136 HydrophobicContact CB-CD1 4.16Å; A9-L136 HydrophobicContact CB-CG 3.89Å; A9-L136 CarbonylContact O-C 3.58Å; A9-L136 WeakPolarHBondContact O-CA 3.08Å; L99-L136 HydrophobicContact CD1-CD2 4.21Å; F107-L136 HydrophobicContact CD2-CD2 4.48Å; F109-L136 HydrophobicContact CE2-CD2 4.47Å; F109-L136 HydrophobicContact CZ-CD2 4.08Å; M131-L136 HydrophobicContact CB-CB 4.24Å; M131-L136 HydrophobicContact CB-CD2 4.23Å; M131-L136 HydrophobicContact CG-CD2 4.39Å; M131-L136 WeakPolarHBondContact O-CB 3.46Å; M131-L136 PolarHBondContact O-N 2.92Å; W134-L136 VanDerWaalsContact C-N 3.33Å; W134-L136 HydrophobicContact CB-CD1 3.94Å; W134-L136 WeakPolarHBondContact O-CD1 3.24Å; L136-L138 HydrophobicContact CB-CD2 4.38Å; L136-L138 HydrophobicContact CB-CG 4.42Å
137R95.4Very high95.2Very high132 Ų13228.8 Ų28.850%0.49815%0.145SC..EExtended strand (participates in β ladder)trans-92.3106.1174.8-66.2-174.7175.9-165.5-1.7110T8 A9 F10 G11 N259T8-R137 HydrophobicContact CG2-CG 3.94Å; A9-R137 PolarHBondContact O-N 3.28Å; F10-R137 WeakPolarHBondContact CA-O 3.27Å; F10-R137 HydrophobicContact CD1-CB 3.85Å; F10-R137 HydrophobicContact CE1-CB 4.12Å; F10-R137 HydrophobicContact CE1-CG 4.45Å; G11-R137 PolarHBondContact N-O 3.45Å; R137-N259 HydrophobicContact CB-CB 4.42Å
138L96.8Very high94.9Very high8 Ų832.1 Ų32.14%0.04216%0.158CC..EExtended strand (participates in β ladder)trans-107.9142.3-176.5-55.6-179.4000111.1G11 F109 F128 M131 L136 L171 P172G11-L138 WeakPolarHBondContact O-CA 3.21Å; F109-L138 HydrophobicContact CD2-CD1 4.36Å; F109-L138 HydrophobicContact CD2-CD2 4.15Å; F109-L138 HydrophobicContact CE2-CD1 4.15Å; F109-L138 HydrophobicContact CE2-CD2 3.72Å; F128-L138 HydrophobicContact CD1-CD1 4.17Å; M131-L138 HydrophobicContact CB-CD1 4.18Å; M131-L138 HydrophobicContact SD-CD1 3.66Å; L136-L138 HydrophobicContact CB-CD2 4.38Å; L136-L138 HydrophobicContact CB-CG 4.42Å; L138-L171 HydrophobicContact CB-CD1 4.12Å; L138-L171 HydrophobicContact CB-CD2 4.43Å; L138-P172 WeakPolarHBondContact O-CD 3.42Å
139T97.6Very high94.4Very high0 Ų032.2 Ų32.20%016%0.159CC..EExtended strand (participates in β ladder)trans-106.1129.1162.9-59.90000107.8G11 Q12 A13 V141 P172 I174 V255 A258 N259G11-T139 PolarHBondContact O-N 2.8Å; G11-T139 VanDerWaalsContact O-N 3.13Å; Q12-T139 CarbonylContact C-O 3.55Å; Q12-T139 WeakPolarHBondContact CA-O 3.4Å; A13-T139 PolarHBondContact N-O 3.43Å; T139-V141 PolarHBondContact O-N 3.32Å; T139-P172 CarbonylContact C-O 3.35Å; T139-P172 WeakPolarHBondContact CA-O 3.45Å; T139-P172 WeakPolarHBondContact CG2-O 3.46Å; T139-I174 HydrophobicContact CG2-CB 4.41Å; T139-I174 HydrophobicContact CG2-CG1 3.66Å; T139-V255 HydrophobicContact CG2-CG1 4.35Å; T139-V255 HydrophobicContact CG2-CG2 4.39Å; T139-V255 PolarHBondContact OG1-O 2.98Å; T139-A258 HydrophobicContact CG2-CB 3.89Å; T139-N259 VanDerWaalsContact OG1-CB 3.31Å; T139-N259 WeakPolarHBondContact OG1-CB 3.48Å; T139-N259 PolarHBondContact OG1-N 3.29Å
140A97.1Very high94Very high0 Ų032.1 Ų32.10%016%0.156CC..EExtended strand (participates in β ladder)trans-72.6120.5168.800000109.4A13 I15 V169 L171 P172 H173 I174A13-A140 CarbonylContact O-C 3.6Å; A13-A140 WeakPolarHBondContact O-CA 3.24Å; I15-A140 HydrophobicContact CD1-CB 4.11Å; A140-V169 HydrophobicContact CB-CG1 4.22Å; A140-L171 HydrophobicContact CB-CB 3.93Å; A140-L171 HydrophobicContact CB-CD1 4.21Å; A140-P172 PolarHBondContact N-O 2.74Å; A140-H173 VanDerWaalsContact CB-CD2 3.41Å; A140-H173 WeakPolarHBondContact CB-CD2 3.42Å; A140-H173 CarbonylContact O-C 3.43Å; A140-H173 WeakPolarHBondContact O-CA 3.18Å; A140-I174 PolarHBondContact O-N 3.14Å
141V97.7Very high93.6Very high0 Ų032.4 Ų32.40%016%0.16CC..EExtended strand (participates in β ladder)trans-106103.9175.5-178.60000107.2Q12 A13 I15 Y25 T139 L143 I174 L176 V255Q12-V141 HydrophobicContact CB-CG2 4Å; Q12-V141 HydrophobicContact CG-CG2 4.17Å; A13-V141 PolarHBondContact O-N 3.18Å; I15-V141 PolarHBondContact N-O 3.45Å; Y25-V141 HydrophobicContact CE1-CG1 4.12Å; Y25-V141 HydrophobicContact CE2-CG1 4.45Å; T139-V141 PolarHBondContact O-N 3.32Å; V141-L143 HydrophobicContact CG1-CD1 3.95Å; V141-I174 WeakPolarHBondContact CA-O 3.39Å; V141-L176 HydrophobicContact CG1-CD1 3.31Å; V141-L176 HydrophobicContact CG1-CG 3.84Å; V141-V255 HydrophobicContact CG2-CG2 3.75Å
142H96.8Very high93.2Very high4 Ų433.6 Ų33.62%0.01917%0.167CC..EExtended strand (participates in β ladder)trans-99.1108.6-174178.8-129.6000111.1I15 S162 H173 I174 N175 L176I15-H142 HydrophobicContact CD1-CB 4.31Å; I15-H142 HydrophobicContact CG1-CB 3.94Å; I15-H142 CarbonylContact O-C 3.59Å; I15-H142 WeakPolarHBondContact O-CA 3.29Å; H142-S162 PolarHBondContact CE1-OG 3.37Å; H142-S162 VanDerWaalsContact CE1-OG 3.29Å; H142-H173 WeakPolarHBondContact CB-CE1 3.48Å; H142-H173 AromaticContact CG-CE1 3.63Å; H142-H173 AromaticContact ND1-CE1 3.83Å; H142-I174 PolarHBondContact N-O 3.02Å; H142-N175 PolarHBondContact ND1-OD1 2.59Å; H142-N175 VanDerWaalsContact ND1-OD1 3.14Å; H142-N175 CarbonylContact O-C 3.53Å; H142-N175 WeakPolarHBondContact O-CA 3.38Å; H142-L176 PolarHBondContact O-N 2.89Å
143L96.6Very high92.9Very high2 Ų232 Ų321%0.0115%0.154CC..EExtended strand (participates in β ladder)trans-88.8126.8-178.7-7685.5000111.2V14 I15 P17 S20 Y25 V141 L176 L240V14-L143 HydrophobicContact CG1-CD1 3.49Å; V14-L143 VanDerWaalsContact CG1-CD1 3.49Å; I15-L143 PolarHBondContact O-N 3.05Å; P17-L143 WeakPolarHBondContact CD-O 3.12Å; S20-L143 WeakPolarHBondContact CB-O 3.46Å; S20-L143 PolarHBondContact OG-O 3.36Å; Y25-L143 HydrophobicContact CD1-CD1 4.47Å; Y25-L143 HydrophobicContact CD2-CD2 4.42Å; Y25-L143 HydrophobicContact CG-CD1 4.34Å; Y25-L143 HydrophobicContact CG-CD2 4.17Å; V141-L143 HydrophobicContact CG1-CD1 3.95Å; L143-L176 HydrophobicContact CG-CB 4.49Å; L143-L240 HydrophobicContact CD2-CD2 4.43Å
144V94.8Very high92.7Very high3 Ų329.3 Ų29.32%0.01814%0.14CC..EExtended strand (participates in β ladder)trans-118137.3172.2171.30000108.5Y148 V158 L176 L177 S178 F237V144-Y148 HydrophobicContact CG1-CD2 4.08Å; V144-V158 HydrophobicContact CB-CG1 4.28Å; V144-V158 HydrophobicContact CG1-CB 4.5Å; V144-V158 HydrophobicContact CG1-CG1 3.33Å; V144-V158 HydrophobicContact CG1-CG2 4.39Å; V144-V158 HydrophobicContact CG2-CG1 3.94Å; V144-L176 PolarHBondContact N-O 3.02Å; V144-L177 HydrophobicContact CB-CD2 4.26Å; V144-L177 HydrophobicContact CG1-CD2 3.89Å; V144-L177 CarbonylContact O-C 3.59Å; V144-S178 PolarHBondContact O-N 3.02Å; V144-S178 PolarHBondContact O-OG 3.04Å; V144-F237 HydrophobicContact CB-CE1 4.1Å; V144-F237 HydrophobicContact CG2-CE1 3.79Å
145D93.9Very high92.5Very high18 Ų1828.5 Ų28.510%0.09614%0.137CC..EExtended strand (participates in β ladder)trans-73.4130176.7-162.2-43.4000110.6H147 Y148 S178 K179D145-H147 PolarHBondContact O-N 3.01Å; D145-H147 VanDerWaalsContact O-N 3.12Å; D145-H147 WeakPolarHBondContact OD1-CB 3.09Å; D145-H147 PolarHBondContact OD1-N 3.48Å; D145-Y148 HydrophobicContact CB-CD2 3.88Å; D145-Y148 HydrophobicContact CB-CE2 3.77Å; D145-Y148 VanDerWaalsContact O-CD2 3.22Å; D145-Y148 WeakPolarHBondContact O-CD2 3.49Å; D145-Y148 PolarHBondContact O-N 3.06Å; D145-Y148 VanDerWaalsContact O-N 3.13Å; D145-S178 WeakPolarHBondContact CA-OG 3.44Å; D145-K179 WeakPolarHBondContact OD2-CD 3.24Å; D145-K179 VanDerWaalsContact OD2-CE 3.31Å; D145-K179 WeakPolarHBondContact OD2-CE 3.34Å; D145-K179 IonicContact OD2-NZ 3.97Å; D145-K179 PolarHBondContact OD2-NZ 3.19Å
146S91.4Very high92.3Very high0 Ų026.1 Ų26.10%013%0.125CC..G310 helixtrans-59.4-20.9176.6650000113.4Y148 C149 S178 K179 Y186S146-Y148 PolarHBondContact O-N 3.25Å; S146-Y148 VanDerWaalsContact O-N 3.13Å; S146-C149 WeakPolarHBondContact O-CB 3.19Å; S146-C149 PolarHBondContact O-N 2.87Å; S146-S178 WeakPolarHBondContact CB-O 3.37Å; S146-S178 PolarHBondContact N-O 3.34Å; S146-S178 PolarHBondContact OG-O 3.12Å; S146-K179 PolarHBondContact OG-O 2.76Å; S146-Y186 WeakPolarHBondContact OG-CE2 3.41Å
147H90.9Very high92.1Very high63 Ų6329.2 Ų29.229%0.29215%0.147SC..G310 helixtrans-54-32.3173.7-179.568.2000112.9D145 C149 T150 Y186D145-H147 PolarHBondContact O-N 3.01Å; D145-H147 VanDerWaalsContact O-N 3.12Å; D145-H147 WeakPolarHBondContact OD1-CB 3.09Å; D145-H147 PolarHBondContact OD1-N 3.48Å; H147-C149 PolarHBondContact O-N 3.17Å; H147-T150 WeakPolarHBondContact O-CB 3.48Å; H147-T150 PolarHBondContact O-N 3.44Å; H147-T150 VanDerWaalsContact O-N 3.14Å; H147-T150 PolarHBondContact O-OG1 3Å; H147-Y186 HydrophobicContact CB-CD2 3.87Å; H147-Y186 HydrophobicContact CB-CE1 4.41Å; H147-Y186 HydrophobicContact CB-CE2 3.67Å; H147-Y186 HydrophobicContact CB-CG 4.31Å; H147-Y186 AromaticContact ND1-CD1 3.68Å; H147-Y186 AromaticContact ND1-CG 3.67Å
148Y89.1Confident91.9Very high70 Ų7023.8 Ų23.828%0.27513%0.128SC..G310 helixtrans-67.5-18.4-179.1-64-60.6000113.6V144 D145 S146 T150 K154 F155 V158V144-Y148 HydrophobicContact CG1-CD2 4.08Å; D145-Y148 HydrophobicContact CB-CD2 3.88Å; D145-Y148 HydrophobicContact CB-CE2 3.77Å; D145-Y148 VanDerWaalsContact O-CD2 3.22Å; D145-Y148 WeakPolarHBondContact O-CD2 3.49Å; D145-Y148 PolarHBondContact O-N 3.06Å; D145-Y148 VanDerWaalsContact O-N 3.13Å; S146-Y148 PolarHBondContact O-N 3.25Å; S146-Y148 VanDerWaalsContact O-N 3.13Å; Y148-T150 PolarHBondContact O-N 3.32Å; Y148-K154 HydrophobicContact CD1-CB 4.07Å; Y148-K154 HydrophobicContact CD1-CD 4.15Å; Y148-F155 PolarHBondContact O-N 2.86Å; Y148-V158 HydrophobicContact CD1-CG2 4.23Å; Y148-V158 HydrophobicContact CD2-CG2 3.77Å; Y148-V158 HydrophobicContact CE2-CG2 4.38Å; Y148-V158 HydrophobicContact CG-CG2 3.68Å
149C86.9Confident91.7Very high3 Ų323.4 Ų23.42%0.0213%0.126CC..G310 helixtrans-71.4-12174.8-580000113.1S146 H147 D151 L189 Y196S146-C149 WeakPolarHBondContact O-CB 3.19Å; S146-C149 PolarHBondContact O-N 2.87Å; H147-C149 PolarHBondContact O-N 3.17Å; C149-D151 VanDerWaalsContact C-N 3.31Å; C149-D151 PolarHBondContact O-N 3.11Å; C149-L189 HydrophobicContact CB-CD2 4.03Å; C149-Y196 HydrophobicContact CB-CD1 3.73Å; C149-Y196 HydrophobicContact CB-CD2 4.47Å; C149-Y196 HydrophobicContact CB-CE1 3.92Å; C149-Y196 HydrophobicContact CB-CG 4.03Å; C149-Y196 WeakPolarHBondContact O-CE1 3.23Å; C149-Y196 PolarHBondContact O-OH 3.23Å
150T86.4Confident91.4Very high45 Ų4525.2 Ų25.228%0.27614%0.138SC..G310 helixtrans-76.1-17.4179.959.70000114.3H147 Y148 L189H147-T150 WeakPolarHBondContact O-CB 3.48Å; H147-T150 PolarHBondContact O-N 3.44Å; H147-T150 VanDerWaalsContact O-N 3.14Å; H147-T150 PolarHBondContact O-OG1 3Å; Y148-T150 PolarHBondContact O-N 3.32Å; T150-L189 HydrophobicContact CG2-CD2 4.37Å
151D86.9Confident91.1Very high58 Ų5827.5 Ų27.531%0.3115%0.152SC..SBendtrans-131.7124-177.7178.7-84000110.2C149 A153 K154 F155C149-D151 VanDerWaalsContact C-N 3.31Å; C149-D151 PolarHBondContact O-N 3.11Å; D151-A153 VanDerWaalsContact C-N 3.32Å; D151-A153 PolarHBondContact O-N 2.95Å; D151-A153 WeakPolarHBondContact OD1-CA 3.32Å; D151-A153 VanDerWaalsContact OD1-CB 3.31Å; D151-A153 WeakPolarHBondContact OD1-CB 3.42Å; D151-A153 PolarHBondContact OD1-N 3.48Å; D151-K154 HydrophobicContact CB-CB 4.03Å; D151-K154 HydrophobicContact CB-CD 3.81Å; D151-K154 HydrophobicContact CB-CG 3.88Å; D151-K154 PolarHBondContact O-N 2.78Å; D151-K154 PolarHBondContact OD1-N 3.22Å; D151-F155 PolarHBondContact O-N 3.49Å
152P87.4Confident90.9Very high25 Ų2527.5 Ų27.516%0.16215%0.152CC..Hα-helixtrans-56.1-39.8-179.5-30.537000114.6F155 I156 L205 H208 L209P152-F155 PolarHBondContact O-N 3.25Å; P152-I156 WeakPolarHBondContact O-CG1 3.33Å; P152-I156 PolarHBondContact O-N 3.18Å; P152-L205 HydrophobicContact CB-CB 4.28Å; P152-L205 HydrophobicContact CB-CD2 3.74Å; P152-L205 HydrophobicContact CG-CD2 3.84Å; P152-H208 HydrophobicContact CG-CB 4.14Å; P152-L209 HydrophobicContact CB-CD1 4.38Å; P152-L209 HydrophobicContact CB-CD2 3.95Å; P152-L209 HydrophobicContact CB-CG 3.81Å
153A88.1Confident90.5Very high19 Ų1927.6 Ų27.616%0.15715%0.153CC..Hα-helixtrans-70.3-41.9-177.500000110.7D151 S157 L209 F215D151-A153 VanDerWaalsContact C-N 3.32Å; D151-A153 PolarHBondContact O-N 2.95Å; D151-A153 WeakPolarHBondContact OD1-CA 3.32Å; D151-A153 VanDerWaalsContact OD1-CB 3.31Å; D151-A153 WeakPolarHBondContact OD1-CB 3.42Å; D151-A153 PolarHBondContact OD1-N 3.48Å; A153-S157 WeakPolarHBondContact O-CB 3.29Å; A153-S157 PolarHBondContact O-N 3.23Å; A153-S157 PolarHBondContact O-OG 2.82Å; A153-L209 HydrophobicContact CB-CD2 3.71Å; A153-F215 HydrophobicContact CB-CE1 4.17Å; A153-F215 HydrophobicContact CB-CE2 4.14Å; A153-F215 HydrophobicContact CB-CZ 3.63Å
154K89.7Confident90.3Very high86 Ų8629.4 Ų29.437%0.37417%0.168SC..Hα-helixtrans-62.1-44.7174.1-66-177.4-162.1163.30111.1Y148 D151 S157 V158Y148-K154 HydrophobicContact CD1-CB 4.07Å; Y148-K154 HydrophobicContact CD1-CD 4.15Å; D151-K154 HydrophobicContact CB-CB 4.03Å; D151-K154 HydrophobicContact CB-CD 3.81Å; D151-K154 HydrophobicContact CB-CG 3.88Å; D151-K154 PolarHBondContact O-N 2.78Å; D151-K154 PolarHBondContact OD1-N 3.22Å; K154-S157 WeakPolarHBondContact O-CB 3.44Å; K154-S157 PolarHBondContact O-N 3.32Å; K154-V158 WeakPolarHBondContact O-CG2 3.39Å; K154-V158 PolarHBondContact O-N 3.4Å
155F90.2Very high90.1Very high1 Ų129.3 Ų29.30%0.00417%0.168CC..Hα-helixtrans-62.2-48.2-179.8-171.3-113.8000111.8Y148 D151 P152 S157 V158 L159 Y196 L202 L205Y148-F155 PolarHBondContact O-N 2.86Å; D151-F155 PolarHBondContact O-N 3.49Å; P152-F155 PolarHBondContact O-N 3.25Å; F155-S157 VanDerWaalsContact C-N 3.29Å; F155-S157 PolarHBondContact O-N 3.42Å; F155-V158 WeakPolarHBondContact O-CB 3.35Å; F155-V158 PolarHBondContact O-N 2.62Å; F155-V158 VanDerWaalsContact O-N 3.11Å; F155-L159 HydrophobicContact CD1-CD1 3.94Å; F155-L159 HydrophobicContact CD1-CG 4.31Å; F155-L159 HydrophobicContact CE1-CD1 3.66Å; F155-L159 HydrophobicContact CE1-CD2 4.15Å; F155-L159 HydrophobicContact CE1-CG 4.07Å; F155-L159 HydrophobicContact CE2-CD2 4.35Å; F155-L159 HydrophobicContact CZ-CD1 4.25Å; F155-L159 HydrophobicContact CZ-CD2 3.88Å; F155-L159 HydrophobicContact CZ-CG 4.23Å; F155-L159 WeakPolarHBondContact O-CG 3.4Å; F155-L159 PolarHBondContact O-N 3.07Å; F155-Y196 AromaticContact CD1-CD1 3.96Å; F155-Y196 HydrophobicContact CD1-CD1 3.96Å; F155-Y196 HydrophobicContact CD1-CE1 4.29Å; F155-Y196 AromaticContact CD2-CD1 3.96Å; F155-Y196 HydrophobicContact CD2-CD1 3.96Å; F155-Y196 AromaticContact CE1-CD1 3.74Å; F155-Y196 HydrophobicContact CE1-CD1 3.74Å; F155-Y196 HydrophobicContact CE1-CE1 4.45Å; F155-Y196 AromaticContact CE2-CD1 3.78Å; F155-Y196 HydrophobicContact CE2-CD1 3.78Å; F155-Y196 HydrophobicContact CE2-CG 4.47Å; F155-Y196 HydrophobicContact CG-CD1 4.05Å; F155-Y196 HydrophobicContact CG-CE1 4.35Å; F155-Y196 AromaticContact CZ-CD1 3.67Å; F155-Y196 HydrophobicContact CZ-CD1 3.67Å; F155-Y196 HydrophobicContact CZ-CG 4.3Å; F155-L202 HydrophobicContact CE1-CD2 4.21Å; F155-L205 HydrophobicContact CD1-CD1 3.65Å; F155-L205 HydrophobicContact CE1-CD1 4.25Å
156I89.8Confident90Very high8 Ų830.1 Ų30.14%0.04117%0.171CC..Hα-helixtrans-59.4-41.3176-66.3176.5000111.4P152 V158 L159 C160 L205 L209 V226 I229P152-I156 WeakPolarHBondContact O-CG1 3.33Å; P152-I156 PolarHBondContact O-N 3.18Å; I156-V158 VanDerWaalsContact C-N 3.29Å; I156-V158 PolarHBondContact O-N 3.48Å; I156-L159 WeakPolarHBondContact O-CB 3.5Å; I156-L159 PolarHBondContact O-N 2.97Å; I156-C160 PolarHBondContact O-N 3.11Å; I156-C160 PolarHBondContact O-SG 3.48Å; I156-L205 HydrophobicContact CD1-CB 4.46Å; I156-L205 HydrophobicContact CG1-CD1 4.4Å; I156-L209 HydrophobicContact CD1-CD1 3.41Å; I156-L209 VanDerWaalsContact CD1-CD1 3.41Å; I156-V226 HydrophobicContact CD1-CG2 3.9Å; I156-V226 HydrophobicContact CG1-CG2 4.49Å; I156-I229 HydrophobicContact CG2-CD1 4.28Å
157S90.6Very high89.8Confident69 Ų6934.6 Ų34.648%0.48320%0.195SC..Hα-helixtrans-60.9-39.8177.1-58.40000112.1A153 K154 F155 T161A153-S157 WeakPolarHBondContact O-CB 3.29Å; A153-S157 PolarHBondContact O-N 3.23Å; A153-S157 PolarHBondContact O-OG 2.82Å; K154-S157 WeakPolarHBondContact O-CB 3.44Å; K154-S157 PolarHBondContact O-N 3.32Å; F155-S157 VanDerWaalsContact C-N 3.29Å; F155-S157 PolarHBondContact O-N 3.42Å; S157-T161 WeakPolarHBondContact O-CB 3.42Å; S157-T161 PolarHBondContact O-N 2.92Å; S157-T161 PolarHBondContact O-OG1 3.46Å
158V91.8Very high89.8Confident18 Ų1833.5 Ų33.511%0.10919%0.189CC..Hα-helixtrans-65.8-41.2174.7161.10000111.7V144 Y148 K154 F155 I156 T161 S162 F237V144-V158 HydrophobicContact CB-CG1 4.28Å; V144-V158 HydrophobicContact CG1-CB 4.5Å; V144-V158 HydrophobicContact CG1-CG1 3.33Å; V144-V158 HydrophobicContact CG1-CG2 4.39Å; V144-V158 HydrophobicContact CG2-CG1 3.94Å; Y148-V158 HydrophobicContact CD1-CG2 4.23Å; Y148-V158 HydrophobicContact CD2-CG2 3.77Å; Y148-V158 HydrophobicContact CE2-CG2 4.38Å; Y148-V158 HydrophobicContact CG-CG2 3.68Å; K154-V158 WeakPolarHBondContact O-CG2 3.39Å; K154-V158 PolarHBondContact O-N 3.4Å; F155-V158 WeakPolarHBondContact O-CB 3.35Å; F155-V158 PolarHBondContact O-N 2.62Å; F155-V158 VanDerWaalsContact O-N 3.11Å; I156-V158 VanDerWaalsContact C-N 3.29Å; I156-V158 PolarHBondContact O-N 3.48Å; V158-T161 PolarHBondContact O-N 3.3Å; V158-S162 WeakPolarHBondContact O-CB 3.49Å; V158-S162 PolarHBondContact O-N 3.19Å; V158-S162 PolarHBondContact O-OG 3.5Å; V158-F237 HydrophobicContact CG1-CZ 4.48Å
159L92.1Very high89.8Confident0 Ų030.3 Ų30.30%018%0.177CC..Hα-helixtrans-61.4-47.3176-65.1177.3000111.1F155 I156 T161 S162 L163 V199 L202 I229 V235 F237F155-L159 HydrophobicContact CD1-CD1 3.94Å; F155-L159 HydrophobicContact CD1-CG 4.31Å; F155-L159 HydrophobicContact CE1-CD1 3.66Å; F155-L159 HydrophobicContact CE1-CD2 4.15Å; F155-L159 HydrophobicContact CE1-CG 4.07Å; F155-L159 HydrophobicContact CE2-CD2 4.35Å; F155-L159 HydrophobicContact CZ-CD1 4.25Å; F155-L159 HydrophobicContact CZ-CD2 3.88Å; F155-L159 HydrophobicContact CZ-CG 4.23Å; F155-L159 WeakPolarHBondContact O-CG 3.4Å; F155-L159 PolarHBondContact O-N 3.07Å; I156-L159 WeakPolarHBondContact O-CB 3.5Å; I156-L159 PolarHBondContact O-N 2.97Å; L159-T161 VanDerWaalsContact C-N 3.33Å; L159-T161 PolarHBondContact O-N 2.92Å; L159-S162 PolarHBondContact O-N 3.17Å; L159-L163 WeakPolarHBondContact O-CB 3.45Å; L159-L163 PolarHBondContact O-N 2.89Å; L159-V199 HydrophobicContact CD1-CG1 3.8Å; L159-V199 HydrophobicContact CD2-CG1 4Å; L159-V199 HydrophobicContact CD2-CG2 3.89Å; L159-L202 HydrophobicContact CD1-CD1 3.67Å; L159-L202 HydrophobicContact CD1-CD2 3.77Å; L159-L202 HydrophobicContact CD1-CG 4.4Å; L159-I229 HydrophobicContact CB-CD1 3.58Å; L159-I229 HydrophobicContact CB-CG1 4.16Å; L159-I229 HydrophobicContact CB-CG2 4.23Å; L159-I229 HydrophobicContact CD1-CD1 4.06Å; L159-I229 HydrophobicContact CD1-CG2 4.2Å; L159-I229 HydrophobicContact CG-CD1 4.48Å; L159-V235 HydrophobicContact CD2-CG1 3.79Å; L159-F237 HydrophobicContact CD2-CE2 3.58Å; L159-F237 HydrophobicContact CD2-CZ 4.02Å
160C91.2Very high89.8Confident38 Ų3835.8 Ų35.826%0.25720%0.203SC..Hα-helixtrans-59.5-44.2175.5-66.40000111.8I156 L163 A164I156-C160 PolarHBondContact O-N 3.11Å; I156-C160 PolarHBondContact O-SG 3.48Å; C160-L163 PolarHBondContact O-N 2.69Å; C160-A164 WeakPolarHBondContact O-CB 3.45Å; C160-A164 PolarHBondContact O-N 3.4Å
161T91.3Very high90.1Very high48 Ų4835 Ų3529%0.29420%0.197SC..Hα-helixtrans-65.9-38.5179-56.60000111.9V115 T119 S157 V158 L159 A164 T165V115-T161 HydrophobicContact CG1-CG2 3.63Å; T119-T161 HydrophobicContact CG2-CG2 3.99Å; S157-T161 WeakPolarHBondContact O-CB 3.42Å; S157-T161 PolarHBondContact O-N 2.92Å; S157-T161 PolarHBondContact O-OG1 3.46Å; V158-T161 PolarHBondContact O-N 3.3Å; L159-T161 VanDerWaalsContact C-N 3.33Å; L159-T161 PolarHBondContact O-N 2.92Å; T161-A164 PolarHBondContact O-N 3.01Å; T161-T165 WeakPolarHBondContact O-CB 3.38Å; T161-T165 PolarHBondContact O-N 3.46Å; T161-T165 PolarHBondContact O-OG1 3.33Å
162S92.2Very high90.4Very high0 Ų035.2 Ų35.20%020%0.201CC..Hα-helixtrans-66-46.7176.8-56.50000110.5H142 V158 L159 A164 T165 M166H142-S162 PolarHBondContact CE1-OG 3.37Å; H142-S162 VanDerWaalsContact CE1-OG 3.29Å; V158-S162 WeakPolarHBondContact O-CB 3.49Å; V158-S162 PolarHBondContact O-N 3.19Å; V158-S162 PolarHBondContact O-OG 3.5Å; L159-S162 PolarHBondContact O-N 3.17Å; S162-A164 PolarHBondContact O-N 3.18Å; S162-T165 PolarHBondContact O-N 3.42Å; S162-M166 VanDerWaalsContact O-CG 3.24Å; S162-M166 WeakPolarHBondContact O-CG 3.18Å; S162-M166 PolarHBondContact O-N 3.29Å
163L90.3Very high90.6Very high6 Ų635.4 Ų35.43%0.03120%0.2CC..Hα-helixtrans-61-44176.4-177.661.2000111.8L159 C160 T165 M166 L167 L228 Y232 L234 V235L159-L163 WeakPolarHBondContact O-CB 3.45Å; L159-L163 PolarHBondContact O-N 2.89Å; C160-L163 PolarHBondContact O-N 2.69Å; L163-T165 PolarHBondContact O-N 3.02Å; L163-M166 PolarHBondContact O-N 2.88Å; L163-L167 HydrophobicContact CG-CD1 4.41Å; L163-L167 WeakPolarHBondContact O-CG 3.21Å; L163-L167 PolarHBondContact O-N 3.27Å; L163-L167 VanDerWaalsContact O-N 3.08Å; L163-L228 HydrophobicContact CD2-CD2 3.44Å; L163-L228 VanDerWaalsContact CD2-CD2 3.44Å; L163-Y232 HydrophobicContact CD1-CG 4.32Å; L163-Y232 HydrophobicContact CD2-CD2 4.07Å; L163-Y232 HydrophobicContact CD2-CG 4.33Å; L163-L234 HydrophobicContact CD1-CB 4.24Å; L163-L234 HydrophobicContact CD1-CD1 4.1Å; L163-V235 HydrophobicContact CB-CG2 3.95Å; L163-V235 HydrophobicContact CD1-CG2 4.31Å
164A91Very high91Very high40 Ų4035.8 Ų35.833%0.33120%0.199SC..Hα-helixtrans-60.8-4517600000111.8T119 C160 T161 S162 M166 L167 H168T119-A164 HydrophobicContact CG2-CB 4.47Å; C160-A164 WeakPolarHBondContact O-CB 3.45Å; C160-A164 PolarHBondContact O-N 3.4Å; T161-A164 PolarHBondContact O-N 3.01Å; S162-A164 PolarHBondContact O-N 3.18Å; A164-M166 PolarHBondContact O-N 3.04Å; A164-L167 PolarHBondContact O-N 3.3Å; A164-H168 WeakPolarHBondContact O-CB 3.45Å; A164-H168 PolarHBondContact O-N 3.43Å
165T91.8Very high91.3Very high1 Ų132 Ų321%0.00618%0.182CC..Hα-helixtrans-61.4-43.6176.4-58.70000111.9I15 C118 T161 S162 L163 L167 H168 V169I15-T165 HydrophobicContact CD1-CG2 3.56Å; C118-T165 HydrophobicContact CB-CG2 3.86Å; T161-T165 WeakPolarHBondContact O-CB 3.38Å; T161-T165 PolarHBondContact O-N 3.46Å; T161-T165 PolarHBondContact O-OG1 3.33Å; S162-T165 PolarHBondContact O-N 3.42Å; L163-T165 PolarHBondContact O-N 3.02Å; T165-L167 VanDerWaalsContact C-N 3.32Å; T165-L167 PolarHBondContact O-N 2.97Å; T165-H168 PolarHBondContact O-N 3.36Å; T165-V169 HydrophobicContact CG2-CG2 3.88Å; T165-V169 WeakPolarHBondContact O-CB 3.42Å; T165-V169 WeakPolarHBondContact O-CG2 3.48Å; T165-V169 PolarHBondContact O-N 3.43Å
166M90.5Very high91.6Very high34 Ų3431.9 Ų31.917%0.16718%0.182CC..Hα-helixtrans-59.3-42.5177.6-74.3176.379.800112.2S162 L163 A164 H173 L234 V235S162-M166 VanDerWaalsContact O-CG 3.24Å; S162-M166 WeakPolarHBondContact O-CG 3.18Å; S162-M166 PolarHBondContact O-N 3.29Å; L163-M166 PolarHBondContact O-N 2.88Å; A164-M166 PolarHBondContact O-N 3.04Å; M166-H173 HydrophobicContact CE-CB 4.12Å; M166-H173 HydrophobicContact CG-CB 4.05Å; M166-H173 VanDerWaalsContact CG-CE1 3.48Å; M166-H173 WeakPolarHBondContact CG-CE1 3.41Å; M166-H173 VanDerWaalsContact CG-ND1 3.33Å; M166-H173 WeakPolarHBondContact CG-ND1 3.49Å; M166-L234 HydrophobicContact CE-CB 3.99Å; M166-L234 WeakPolarHBondContact CE-O 3.46Å; M166-L234 HydrophobicContact SD-CB 4.48Å; M166-V235 HydrophobicContact SD-CG2 4.17Å
167L88.4Confident91.8Very high95 Ų9531.6 Ų31.650%0.49718%0.181SC..Hα-helixtrans-70.9-35.1178.7-68.4172.9000112.3L163 A164 T165L163-L167 HydrophobicContact CG-CD1 4.41Å; L163-L167 WeakPolarHBondContact O-CG 3.21Å; L163-L167 PolarHBondContact O-N 3.27Å; L163-L167 VanDerWaalsContact O-N 3.08Å; A164-L167 PolarHBondContact O-N 3.3Å; T165-L167 VanDerWaalsContact C-N 3.32Å; T165-L167 PolarHBondContact O-N 2.97Å
168H90.9Very high92Very high39 Ų3928.5 Ų28.518%0.18116%0.159CC..Hα-helixtrans-83-40.1-174.6-173.773.8000113.8C118 H120 H121 R125 A164 T165 E170C118-H168 PolarHBondContact O-CD2 3.27Å; C118-H168 VanDerWaalsContact O-CD2 3.3Å; H120-H168 PolarHBondContact O-CE1 3.28Å; H121-H168 PolarHBondContact O-NE2 3.48Å; R125-H168 WeakPolarHBondContact CD-O 3.35Å; R125-H168 WeakPolarHBondContact CG-O 3.43Å; A164-H168 WeakPolarHBondContact O-CB 3.45Å; A164-H168 PolarHBondContact O-N 3.43Å; T165-H168 PolarHBondContact O-N 3.36Å; H168-E170 VanDerWaalsContact C-N 3.34Å; H168-E170 PolarHBondContact O-N 3.01Å
169V89Confident92.1Very high3 Ų330.7 Ų30.72%0.01817%0.167CC..Hα-helixtrans-76-21.1-174.6174.10000112.7I15 F128 A140 T165 L171I15-V169 HydrophobicContact CD1-CG2 4.15Å; F128-V169 HydrophobicContact CD2-CG1 3.94Å; F128-V169 HydrophobicContact CE2-CG1 4.17Å; A140-V169 HydrophobicContact CB-CG1 4.22Å; T165-V169 HydrophobicContact CG2-CG2 3.88Å; T165-V169 WeakPolarHBondContact O-CB 3.42Å; T165-V169 WeakPolarHBondContact O-CG2 3.48Å; T165-V169 PolarHBondContact O-N 3.43Å; V169-L171 HydrophobicContact CG1-CB 4.17Å; V169-L171 HydrophobicContact CG1-CD1 3.98Å; V169-L171 HydrophobicContact CG1-CG 4.02Å; V169-L171 PolarHBondContact O-N 3.26Å; V169-L171 VanDerWaalsContact O-N 3.09Å
170E86.4Confident92Very high119 Ų11930.7 Ų30.756%0.55617%0.167SC*.  trans53.428.1175-65.5-178.8165.500115.2R125 H168R125-E170 IonicContact CZ-OE1 3.84Å; R125-E170 IonicContact CZ-OE2 3.37Å; R125-E170 VanDerWaalsContact CZ-OE2 3.22Å; R125-E170 VanDerWaalsContact NE-CD 3.32Å; R125-E170 IonicContact NE-OE1 3.81Å; R125-E170 IonicContact NE-OE2 3.22Å; R125-E170 PolarHBondContact NE-OE2 3.49Å; R125-E170 VanDerWaalsContact NH2-CD 3.32Å; R125-E170 IonicContact NH2-OE1 3.1Å; R125-E170 PolarHBondContact NH2-OE1 2.79Å; R125-E170 IonicContact NH2-OE2 3.62Å; R125-E170 PolarHBondContact NH2-OE2 2.98Å; H168-E170 VanDerWaalsContact C-N 3.34Å; H168-E170 PolarHBondContact O-N 3.01Å
171L92.2Very high91.8Very high29 Ų2931.6 Ų31.615%0.15217%0.169CC..SBendtrans-107.5156.2171.8-69.1179.7000110.7A13 F128 L138 A140 V169 H173A13-L171 HydrophobicContact CB-CD1 4.13Å; F128-L171 HydrophobicContact CB-CD1 4.04Å; F128-L171 HydrophobicContact CB-CG 4.45Å; F128-L171 HydrophobicContact CD2-CD1 3.97Å; F128-L171 HydrophobicContact CG-CD1 3.97Å; L138-L171 HydrophobicContact CB-CD1 4.12Å; L138-L171 HydrophobicContact CB-CD2 4.43Å; A140-L171 HydrophobicContact CB-CB 3.93Å; A140-L171 HydrophobicContact CB-CD1 4.21Å; V169-L171 HydrophobicContact CG1-CB 4.17Å; V169-L171 HydrophobicContact CG1-CD1 3.98Å; V169-L171 HydrophobicContact CG1-CG 4.02Å; V169-L171 PolarHBondContact O-N 3.26Å; V169-L171 VanDerWaalsContact O-N 3.09Å; L171-H173 PolarHBondContact O-N 2.8Å
172P93.1Very high91.6Very high62 Ų6232.1 Ų32.140%0.40317%0.17SC..  trans-49.9126.7161.2-22.232.1000109.1L138 T139 A140 A258L138-P172 WeakPolarHBondContact O-CD 3.42Å; T139-P172 CarbonylContact C-O 3.35Å; T139-P172 WeakPolarHBondContact CA-O 3.45Å; T139-P172 WeakPolarHBondContact CG2-O 3.46Å; A140-P172 PolarHBondContact N-O 2.74Å; P172-A258 HydrophobicContact CB-CB 4.11Å
173H92.4Very high91.2Very high28 Ų2832.2 Ų32.213%0.1317%0.17CC..EExtended strand (participates in β ladder)trans-123.8131.2-164.5-155.5-86.9000111.2A140 H142 M166 L171 N175A140-H173 VanDerWaalsContact CB-CD2 3.41Å; A140-H173 WeakPolarHBondContact CB-CD2 3.42Å; A140-H173 CarbonylContact O-C 3.43Å; A140-H173 WeakPolarHBondContact O-CA 3.18Å; H142-H173 WeakPolarHBondContact CB-CE1 3.48Å; H142-H173 AromaticContact CG-CE1 3.63Å; H142-H173 AromaticContact ND1-CE1 3.83Å; M166-H173 HydrophobicContact CE-CB 4.12Å; M166-H173 HydrophobicContact CG-CB 4.05Å; M166-H173 VanDerWaalsContact CG-CE1 3.48Å; M166-H173 WeakPolarHBondContact CG-CE1 3.41Å; M166-H173 VanDerWaalsContact CG-ND1 3.33Å; M166-H173 WeakPolarHBondContact CG-ND1 3.49Å; L171-H173 PolarHBondContact O-N 2.8Å; H173-N175 PolarHBondContact CE1-OD1 3.34Å; H173-N175 PolarHBondContact ND1-OD1 3.2Å; H173-N175 VanDerWaalsContact ND1-OD1 3.09Å
174I95.8Very high90.7Very high28 Ų2836.5 Ų36.514%0.14419%0.19CC..EExtended strand (participates in β ladder)trans-122.5113.9175.2-59-63.7000107.2T139 A140 V141 H142 L176 I238 A254 V255 A258T139-I174 HydrophobicContact CG2-CB 4.41Å; T139-I174 HydrophobicContact CG2-CG1 3.66Å; A140-I174 PolarHBondContact O-N 3.14Å; V141-I174 WeakPolarHBondContact CA-O 3.39Å; H142-I174 PolarHBondContact N-O 3.02Å; I174-L176 HydrophobicContact CG2-CD2 3.73Å; I174-L176 HydrophobicContact CG2-CG 4.48Å; I174-I238 HydrophobicContact CG2-CD1 3.86Å; I174-A254 HydrophobicContact CD1-CB 4.27Å; I174-V255 HydrophobicContact CB-CG2 4.48Å; I174-V255 HydrophobicContact CG1-CG2 4.2Å; I174-A258 HydrophobicContact CD1-CB 4.4Å; I174-A258 HydrophobicContact CG1-CB 4.5Å
175N95.4Very high90.2Very high5 Ų541.8 Ų41.83%0.02721%0.208CC..EExtended strand (participates in β ladder)trans-85.7137.7172.9-47.7-69.3000110H142 H173 S236 F237 I238H142-N175 PolarHBondContact ND1-OD1 2.59Å; H142-N175 VanDerWaalsContact ND1-OD1 3.14Å; H142-N175 CarbonylContact O-C 3.53Å; H142-N175 WeakPolarHBondContact O-CA 3.38Å; H173-N175 PolarHBondContact CE1-OD1 3.34Å; H173-N175 PolarHBondContact ND1-OD1 3.2Å; H173-N175 VanDerWaalsContact ND1-OD1 3.09Å; N175-S236 WeakPolarHBondContact CB-O 3.37Å; N175-S236 PolarHBondContact ND2-O 3.19Å; N175-F237 HydrophobicContact CB-CD1 3.35Å; N175-F237 HydrophobicContact CB-CE1 3.5Å; N175-F237 VanDerWaalsContact CB-CE1 3.5Å; N175-F237 HydrophobicContact CB-CG 4.15Å; N175-F237 HydrophobicContact CB-CZ 4.38Å; N175-F237 WeakPolarHBondContact O-CA 3.45Å; N175-I238 PolarHBondContact O-N 2.87Å
176L96.4Very high89.5Confident0 Ų044.8 Ų44.80%022%0.219CC..EExtended strand (participates in β ladder)trans-120.3133.3179.1-57-172.8000110Y25 V141 H142 L143 V144 I174 S178 I238 L240 V251Y25-L176 HydrophobicContact CD2-CD1 4.42Å; Y25-L176 HydrophobicContact CE2-CD1 3.87Å; V141-L176 HydrophobicContact CG1-CD1 3.31Å; V141-L176 HydrophobicContact CG1-CG 3.84Å; H142-L176 PolarHBondContact O-N 2.89Å; L143-L176 HydrophobicContact CG-CB 4.49Å; V144-L176 PolarHBondContact N-O 3.02Å; I174-L176 HydrophobicContact CG2-CD2 3.73Å; I174-L176 HydrophobicContact CG2-CG 4.48Å; L176-S178 PolarHBondContact O-N 3.43Å; L176-I238 WeakPolarHBondContact CA-O 3.48Å; L176-I238 HydrophobicContact CD2-CB 3.77Å; L176-I238 HydrophobicContact CD2-CG2 4.45Å; L176-L240 HydrophobicContact CB-CB 4.43Å; L176-L240 HydrophobicContact CD1-CD2 3.82Å; L176-V251 HydrophobicContact CD1-CG1 3.77Å; L176-V251 HydrophobicContact CD1-CG2 4.17Å; L176-V251 HydrophobicContact CD2-CB 4.43Å; L176-V251 HydrophobicContact CD2-CG1 3.99Å; L176-V251 HydrophobicContact CD2-CG2 3.62Å
177L94.9Very high88.6Confident2 Ų244.9 Ų44.91%0.0123%0.23CC..EExtended strand (participates in β ladder)trans-87.9103.6162.1-78.1172000107.9V144 M180 T197 F237 I238 L240V144-L177 HydrophobicContact CB-CD2 4.26Å; V144-L177 HydrophobicContact CG1-CD2 3.89Å; V144-L177 CarbonylContact O-C 3.59Å; L177-M180 HydrophobicContact CB-SD 3.84Å; L177-M180 VanDerWaalsContact O-CG 3.28Å; L177-M180 WeakPolarHBondContact O-CG 3.41Å; L177-T197 HydrophobicContact CD1-CG2 4.07Å; L177-F237 HydrophobicContact CB-CB 4.39Å; L177-F237 HydrophobicContact CD1-CB 3.85Å; L177-F237 HydrophobicContact CD1-CG 4.15Å; L177-F237 HydrophobicContact CD2-CD1 4.24Å; L177-F237 HydrophobicContact CD2-CG 4.4Å; L177-F237 HydrophobicContact CG-CB 3.65Å; L177-F237 HydrophobicContact CG-CD1 3.91Å; L177-F237 HydrophobicContact CG-CD2 4.48Å; L177-F237 HydrophobicContact CG-CG 3.77Å; L177-I238 PolarHBondContact N-O 3.45Å; L177-L240 WeakPolarHBondContact O-CA 3.5Å; L177-L240 PolarHBondContact O-N 3.44Å
178S95.2Very high87.8Confident4 Ų450.1 Ų50.13%0.02825%0.248CC..EExtended strand (participates in β ladder)trans-81.9164.9-179.566.30000112.2S20 V144 D145 S146 L176 M180 L240S20-S178 WeakPolarHBondContact O-CB 3.44Å; S20-S178 PolarHBondContact O-OG 3.48Å; V144-S178 PolarHBondContact O-N 3.02Å; V144-S178 PolarHBondContact O-OG 3.04Å; D145-S178 WeakPolarHBondContact CA-OG 3.44Å; S146-S178 WeakPolarHBondContact CB-O 3.37Å; S146-S178 PolarHBondContact N-O 3.34Å; S146-S178 PolarHBondContact OG-O 3.12Å; L176-S178 PolarHBondContact O-N 3.43Å; S178-M180 VanDerWaalsContact C-N 3.27Å; S178-M180 PolarHBondContact O-N 3.38Å; S178-L240 CarbonylContact C-O 3.58Å
179K92.7Very high87.2Confident63 Ų6349.5 Ų49.527%0.27425%0.246SC..  trans57.238.7177-50.2-176-167.3167.30113G19 D145 S146 D181 L182 L240G19-K179 VanDerWaalsContact O-CE 3.29Å; G19-K179 WeakPolarHBondContact O-CE 3.35Å; G19-K179 PolarHBondContact O-NZ 3.25Å; D145-K179 WeakPolarHBondContact OD2-CD 3.24Å; D145-K179 VanDerWaalsContact OD2-CE 3.31Å; D145-K179 WeakPolarHBondContact OD2-CE 3.34Å; D145-K179 IonicContact OD2-NZ 3.97Å; D145-K179 PolarHBondContact OD2-NZ 3.19Å; S146-K179 PolarHBondContact OG-O 2.76Å; K179-D181 VanDerWaalsContact C-OD1 3.28Å; K179-D181 WeakPolarHBondContact CA-OD1 3.42Å; K179-D181 PolarHBondContact O-N 3.37Å; K179-L182 HydrophobicContact CB-CD1 4.21Å; K179-L182 HydrophobicContact CB-CG 4.41Å; K179-L182 HydrophobicContact CD-CD1 4.18Å; K179-L182 PolarHBondContact O-N 2.96Å; K179-L240 PolarHBondContact N-O 2.77Å
180M90.1Very high86.3Confident0 Ų052 Ų520%027%0.268CS..G310 helixtrans-62.6-24.6179.2-69.5-57.5-55.100112.9L177 S178 L182 I183 L193 P239 L240 Y295L177-M180 HydrophobicContact CB-SD 3.84Å; L177-M180 VanDerWaalsContact O-CG 3.28Å; L177-M180 WeakPolarHBondContact O-CG 3.41Å; S178-M180 VanDerWaalsContact C-N 3.27Å; S178-M180 PolarHBondContact O-N 3.38Å; M180-L182 PolarHBondContact O-N 2.98Å; M180-I183 HydrophobicContact CE-CD1 3.67Å; M180-I183 HydrophobicContact CE-CG2 4.45Å; M180-I183 VanDerWaalsContact O-CG2 3.23Å; M180-I183 WeakPolarHBondContact O-CG2 3.4Å; M180-I183 PolarHBondContact O-N 2.99Å; M180-I183 HydrophobicContact SD-CD1 4.26Å; M180-L193 HydrophobicContact CE-CD1 3.88Å; M180-L193 HydrophobicContact CE-CD2 3.7Å; M180-L193 HydrophobicContact CE-CG 4.44Å; M180-P239 HydrophobicContact CE-CB 4.24Å; M180-P239 HydrophobicContact CG-CB 3.8Å; M180-P239 HydrophobicContact SD-CB 4.18Å; M180-L240 WeakPolarHBondContact CG-O 3.32Å; M180-L240 PolarHBondContact N-O 3.3Å; M180-Y295 HydrophobicContact CB-CD1 4.13Å; M180-Y295 HydrophobicContact CB-CE1 3.96Å; M180-Y295 HydrophobicContact CB-CE2 4.42Å; M180-Y295 HydrophobicContact CB-CG 4.45Å; M180-Y295 WeakPolarHBondContact O-CD1 3.41Å
181D86.9Confident85.9Confident57 Ų5748.7 Ų48.731%0.30525%0.251SS..G310 helixtrans-61.1-24.7171.254.1-62.2000113.8K179K179-D181 VanDerWaalsContact C-OD1 3.28Å; K179-D181 WeakPolarHBondContact CA-OD1 3.42Å; K179-D181 PolarHBondContact O-N 3.37Å
182L87.9Confident85.4Confident59 Ų5950.3 Ų50.331%0.30926%0.26SS..G310 helixtrans-95.2-2.9-177.9-58.9-177.2000113.6K179 M180 E184 H185 Y186K179-L182 HydrophobicContact CB-CD1 4.21Å; K179-L182 HydrophobicContact CB-CG 4.41Å; K179-L182 HydrophobicContact CD-CD1 4.18Å; K179-L182 PolarHBondContact O-N 2.96Å; M180-L182 PolarHBondContact O-N 2.98Å; L182-E184 VanDerWaalsContact C-N 3.33Å; L182-E184 PolarHBondContact O-N 3.32Å; L182-H185 WeakPolarHBondContact O-CA 3.13Å; L182-H185 WeakPolarHBondContact O-CB 3.34Å; L182-H185 PolarHBondContact O-N 3.1Å; L182-Y186 HydrophobicContact CB-CE1 4.04Å; L182-Y186 HydrophobicContact CB-CE2 3.75Å; L182-Y186 VanDerWaalsContact CB-CZ 3.48Å; L182-Y186 WeakPolarHBondContact CD1-OH 3.41Å; L182-Y186 WeakPolarHBondContact O-CD2 3.34Å; L182-Y186 PolarHBondContact O-N 2.97Å
183I84.4Confident84.8Confident2 Ų247.5 Ų47.51%0.0124%0.242CC..Hα-helixtrans-64.5-36.7-168.3-157.2163.1000113M180 H185 Y186 L189 L193 L296M180-I183 HydrophobicContact CE-CD1 3.67Å; M180-I183 HydrophobicContact CE-CG2 4.45Å; M180-I183 VanDerWaalsContact O-CG2 3.23Å; M180-I183 WeakPolarHBondContact O-CG2 3.4Å; M180-I183 PolarHBondContact O-N 2.99Å; M180-I183 HydrophobicContact SD-CD1 4.26Å; I183-H185 PolarHBondContact O-N 2.97Å; I183-Y186 PolarHBondContact O-N 3.4Å; I183-Y186 VanDerWaalsContact O-N 3.15Å; I183-L189 HydrophobicContact CD1-CD1 3.7Å; I183-L189 HydrophobicContact CD1-CD2 4.26Å; I183-L189 HydrophobicContact CD1-CG 4.45Å; I183-L189 HydrophobicContact CG1-CD1 4.09Å; I183-L189 HydrophobicContact CG1-CD2 4.2Å; I183-L189 HydrophobicContact CG1-CG 4.41Å; I183-L193 HydrophobicContact CD1-CD2 3.65Å; I183-L296 HydrophobicContact CG2-CD2 4.21Å
184E78.5Confident84.3Confident97 Ų9747.3 Ų47.345%0.45324%0.241SC..Hα-helixtrans-65.3-29.7175-59-16613500112.5L182 Y186 Y295 L296 A297L182-E184 VanDerWaalsContact C-N 3.33Å; L182-E184 PolarHBondContact O-N 3.32Å; E184-Y186 VanDerWaalsContact C-N 3.3Å; E184-Y295 WeakPolarHBondContact CG-O 2.97Å; E184-L296 HydrophobicContact CG-CD2 4.43Å; E184-L296 VanDerWaalsContact OE1-CA 3.25Å; E184-L296 WeakPolarHBondContact OE1-CA 3.18Å; E184-A297 PolarHBondContact OE1-N 3.39Å
185H81Confident83.7Confident150 Ų15046.4 Ų46.469%0.69424%0.237SC*.Hα-helixtrans-76-20.2177.5-62.2-51.3000112.5L182 I183 G187L182-H185 WeakPolarHBondContact O-CA 3.13Å; L182-H185 WeakPolarHBondContact O-CB 3.34Å; L182-H185 PolarHBondContact O-N 3.1Å; I183-H185 PolarHBondContact O-N 2.97Å; H185-G187 VanDerWaalsContact C-N 3.34Å
186Y78Confident83.2Confident64 Ų6446.4 Ų46.425%0.25124%0.236SC..Hα-helixtrans-82-14.5178.5-56.4-37.3000113.5S146 H147 L182 I183 E184S146-Y186 WeakPolarHBondContact OG-CE2 3.41Å; H147-Y186 HydrophobicContact CB-CD2 3.87Å; H147-Y186 HydrophobicContact CB-CE1 4.41Å; H147-Y186 HydrophobicContact CB-CE2 3.67Å; H147-Y186 HydrophobicContact CB-CG 4.31Å; H147-Y186 AromaticContact ND1-CD1 3.68Å; H147-Y186 AromaticContact ND1-CG 3.67Å; L182-Y186 HydrophobicContact CB-CE1 4.04Å; L182-Y186 HydrophobicContact CB-CE2 3.75Å; L182-Y186 VanDerWaalsContact CB-CZ 3.48Å; L182-Y186 WeakPolarHBondContact CD1-OH 3.41Å; L182-Y186 WeakPolarHBondContact O-CD2 3.34Å; L182-Y186 PolarHBondContact O-N 2.97Å; I183-Y186 PolarHBondContact O-N 3.4Å; I183-Y186 VanDerWaalsContact O-N 3.15Å; E184-Y186 VanDerWaalsContact C-N 3.3Å
187G70.9Confident82.6Confident37 Ų3746.9 Ų46.938%0.38124%0.239SC..  trans124.1-175.7175.900000112.9H185 L189H185-G187 VanDerWaalsContact C-N 3.34Å; G187-L189 PolarHBondContact O-N 3.2Å
188K72.1Confident82Confident205 Ų20551.7 Ų51.789%0.89126%0.261SS*.  trans-73.8124.5174.5-70.5-171.1176.4-170.90109.5
189L78.1Confident81.3Confident25 Ų2552.4 Ų52.413%0.13127%0.265CS..  trans-69.5145.4168.8-60.5175.4000109.7C149 T150 I183 G187 F191 L193 Y196 L296C149-L189 HydrophobicContact CB-CD2 4.03Å; T150-L189 HydrophobicContact CG2-CD2 4.37Å; I183-L189 HydrophobicContact CD1-CD1 3.7Å; I183-L189 HydrophobicContact CD1-CD2 4.26Å; I183-L189 HydrophobicContact CD1-CG 4.45Å; I183-L189 HydrophobicContact CG1-CD1 4.09Å; I183-L189 HydrophobicContact CG1-CD2 4.2Å; I183-L189 HydrophobicContact CG1-CG 4.41Å; G187-L189 PolarHBondContact O-N 3.2Å; L189-F191 VanDerWaalsContact CB-O 3.29Å; L189-F191 WeakPolarHBondContact CB-O 3.37Å; L189-F191 PolarHBondContact O-N 3.27Å; L189-L193 HydrophobicContact CD1-CD2 3.6Å; L189-Y196 HydrophobicContact CB-CE2 4.15Å; L189-Y196 HydrophobicContact CD1-CE2 4.31Å; L189-Y196 HydrophobicContact CD2-CE2 4.5Å; L189-L296 HydrophobicContact CD1-CD1 4.19Å; L189-L296 HydrophobicContact CD1-CD2 4.26Å
190A70.9Confident80.3Confident57 Ų5752.9 Ų52.947%0.47127%0.271SS..SBendtrans-68.8-22.8176.200000113
191F77.9Confident79.8Confident48 Ų4856.4 Ų56.421%0.21129%0.29CS..SBendtrans-139.5168.7-176.6-57.3-74.2000110.1L189 Y195 Y196 Y204 L205 H208L189-F191 VanDerWaalsContact CB-O 3.29Å; L189-F191 WeakPolarHBondContact CB-O 3.37Å; L189-F191 PolarHBondContact O-N 3.27Å; F191-Y195 HydrophobicContact CB-CD1 3.78Å; F191-Y195 HydrophobicContact CB-CD2 4.16Å; F191-Y195 HydrophobicContact CB-CG 3.57Å; F191-Y195 HydrophobicContact CD1-CD2 4.41Å; F191-Y195 AromaticContact CD2-CD1 3.74Å; F191-Y195 HydrophobicContact CD2-CD1 3.74Å; F191-Y195 HydrophobicContact CD2-CD2 4.47Å; F191-Y195 AromaticContact CD2-CE1 3.68Å; F191-Y195 HydrophobicContact CD2-CE1 3.68Å; F191-Y195 HydrophobicContact CD2-CE2 4.41Å; F191-Y195 HydrophobicContact CD2-CG 4.16Å; F191-Y195 HydrophobicContact CE2-CE1 4.21Å; F191-Y195 AromaticContact CG-CD1 3.91Å; F191-Y195 HydrophobicContact CG-CD1 3.91Å; F191-Y195 HydrophobicContact CG-CD2 4.09Å; F191-Y195 HydrophobicContact CG-CE1 4.22Å; F191-Y195 HydrophobicContact CG-CE2 4.36Å; F191-Y195 AromaticContact CG-CG 3.86Å; F191-Y195 HydrophobicContact CG-CG 3.86Å; F191-Y196 HydrophobicContact CB-CE2 3.94Å; F191-Y204 HydrophobicContact CE1-CG 4.37Å; F191-Y204 HydrophobicContact CZ-CG 4.44Å; F191-L205 HydrophobicContact CD2-CD2 4.29Å; F191-L205 HydrophobicContact CE2-CD2 3.87Å; F191-L205 HydrophobicContact CE2-CG 4.47Å; F191-H208 AromaticContact CZ-CE1 3.67Å; F191-H208 AromaticContact CZ-ND1 3.92Å
192N81Confident79.6Confident63 Ų6353.7 Ų53.734%0.33728%0.275SS..  trans-65.4164.717363.7-23.2000111.9D194 Y195 Y196N192-D194 PolarHBondContact O-N 3.33Å; N192-Y195 VanDerWaalsContact O-CB 3.25Å; N192-Y195 WeakPolarHBondContact O-CB 3.33Å; N192-Y195 PolarHBondContact O-N 3.18Å; N192-Y195 WeakPolarHBondContact OD1-CB 3.34Å; N192-Y195 PolarHBondContact OD1-N 3.38Å; N192-Y196 VanDerWaalsContact O-CD2 3.31Å; N192-Y196 WeakPolarHBondContact O-CD2 3.44Å
193L81.1Confident79.3Confident4 Ų453.1 Ų53.12%0.02128%0.276CS..Hα-helixtrans-60.2-36179.7-70.7-179.5000112.8M180 I183 L189 Y195 Y196 T197 I291 L296M180-L193 HydrophobicContact CE-CD1 3.88Å; M180-L193 HydrophobicContact CE-CD2 3.7Å; M180-L193 HydrophobicContact CE-CG 4.44Å; I183-L193 HydrophobicContact CD1-CD2 3.65Å; L189-L193 HydrophobicContact CD1-CD2 3.6Å; L193-Y195 PolarHBondContact O-N 2.93Å; L193-Y196 PolarHBondContact O-N 3.11Å; L193-T197 PolarHBondContact O-N 2.86Å; L193-T197 PolarHBondContact O-OG1 2.8Å; L193-I291 HydrophobicContact CD1-CG2 4.33Å; L193-L296 HydrophobicContact CD1-CD1 4.27Å; L193-L296 HydrophobicContact CD1-CG 4.38Å; L193-L296 HydrophobicContact CD2-CD1 4.28Å; L193-L296 HydrophobicContact CG-CD1 3.77Å; L193-L296 HydrophobicContact CG-CG 4.37Å
194D81.4Confident79.1Confident23 Ų2358.9 Ų58.912%0.12330%0.299CS..Hα-helixtrans-57.4-38.6-178.3-57.90.9000111.2N192 Y196 T197 E198 T288N192-D194 PolarHBondContact O-N 3.33Å; D194-Y196 VanDerWaalsContact C-N 3.31Å; D194-Y196 PolarHBondContact O-N 2.97Å; D194-T197 WeakPolarHBondContact CA-OG1 3.41Å; D194-T197 PolarHBondContact O-N 3.5Å; D194-T197 PolarHBondContact O-OG1 2.81Å; D194-E198 WeakPolarHBondContact O-CB 3.28Å; D194-E198 PolarHBondContact O-N 2.9Å; D194-T288 WeakPolarHBondContact OD1-CB 2.83Å; D194-T288 PolarHBondContact OD2-OG1 3.44Å
195Y83.1Confident79.3Confident10 Ų1054.3 Ų54.34%0.03928%0.277CS..Hα-helixtrans-53.2-47.9173.6-175.8-92.9000112.4F191 N192 L193 V199 L200 D201 L202 Y204 L205F191-Y195 HydrophobicContact CB-CD1 3.78Å; F191-Y195 HydrophobicContact CB-CD2 4.16Å; F191-Y195 HydrophobicContact CB-CG 3.57Å; F191-Y195 HydrophobicContact CD1-CD2 4.41Å; F191-Y195 AromaticContact CD2-CD1 3.74Å; F191-Y195 HydrophobicContact CD2-CD1 3.74Å; F191-Y195 HydrophobicContact CD2-CD2 4.47Å; F191-Y195 AromaticContact CD2-CE1 3.68Å; F191-Y195 HydrophobicContact CD2-CE1 3.68Å; F191-Y195 HydrophobicContact CD2-CE2 4.41Å; F191-Y195 HydrophobicContact CD2-CG 4.16Å; F191-Y195 HydrophobicContact CE2-CE1 4.21Å; F191-Y195 AromaticContact CG-CD1 3.91Å; F191-Y195 HydrophobicContact CG-CD1 3.91Å; F191-Y195 HydrophobicContact CG-CD2 4.09Å; F191-Y195 HydrophobicContact CG-CE1 4.22Å; F191-Y195 HydrophobicContact CG-CE2 4.36Å; F191-Y195 AromaticContact CG-CG 3.86Å; F191-Y195 HydrophobicContact CG-CG 3.86Å; N192-Y195 VanDerWaalsContact O-CB 3.25Å; N192-Y195 WeakPolarHBondContact O-CB 3.33Å; N192-Y195 PolarHBondContact O-N 3.18Å; N192-Y195 WeakPolarHBondContact OD1-CB 3.34Å; N192-Y195 PolarHBondContact OD1-N 3.38Å; L193-Y195 PolarHBondContact O-N 2.93Å; Y195-V199 VanDerWaalsContact O-CA 3.22Å; Y195-V199 WeakPolarHBondContact O-CA 3.47Å; Y195-V199 PolarHBondContact O-N 3.48Å; Y195-L200 HydrophobicContact CD2-CB 4.31Å; Y195-L200 WeakPolarHBondContact CD2-O 3.48Å; Y195-L200 WeakPolarHBondContact CE2-O 3.22Å; Y195-L200 VanDerWaalsContact CZ-O 3.23Å; Y195-L200 PolarHBondContact O-N 2.98Å; Y195-L200 VanDerWaalsContact O-N 3.09Å; Y195-L200 PolarHBondContact OH-O 3.48Å; Y195-D201 WeakPolarHBondContact CE2-O 3.45Å; Y195-D201 PolarHBondContact OH-O 2.92Å; Y195-L202 WeakPolarHBondContact OH-CA 3.34Å; Y195-Y204 HydrophobicContact CE2-CD2 4.16Å; Y195-L205 HydrophobicContact CE1-CD1 3.86Å; Y195-L205 HydrophobicContact CE1-CD2 4.17Å; Y195-L205 HydrophobicContact CE1-CG 3.83Å; Y195-L205 WeakPolarHBondContact OH-CG 3.36Å
196Y84Confident79.4Confident4 Ų448 Ų482%0.01625%0.248CC..Hα-helixtrans-80.6-34.8-177.2-60.2-82.5000112.6C149 F155 L189 F191 N192 L193 D194C149-Y196 HydrophobicContact CB-CD1 3.73Å; C149-Y196 HydrophobicContact CB-CD2 4.47Å; C149-Y196 HydrophobicContact CB-CE1 3.92Å; C149-Y196 HydrophobicContact CB-CG 4.03Å; C149-Y196 WeakPolarHBondContact O-CE1 3.23Å; C149-Y196 PolarHBondContact O-OH 3.23Å; F155-Y196 AromaticContact CD1-CD1 3.96Å; F155-Y196 HydrophobicContact CD1-CD1 3.96Å; F155-Y196 HydrophobicContact CD1-CE1 4.29Å; F155-Y196 AromaticContact CD2-CD1 3.96Å; F155-Y196 HydrophobicContact CD2-CD1 3.96Å; F155-Y196 AromaticContact CE1-CD1 3.74Å; F155-Y196 HydrophobicContact CE1-CD1 3.74Å; F155-Y196 HydrophobicContact CE1-CE1 4.45Å; F155-Y196 AromaticContact CE2-CD1 3.78Å; F155-Y196 HydrophobicContact CE2-CD1 3.78Å; F155-Y196 HydrophobicContact CE2-CG 4.47Å; F155-Y196 HydrophobicContact CG-CD1 4.05Å; F155-Y196 HydrophobicContact CG-CE1 4.35Å; F155-Y196 AromaticContact CZ-CD1 3.67Å; F155-Y196 HydrophobicContact CZ-CD1 3.67Å; F155-Y196 HydrophobicContact CZ-CG 4.3Å; L189-Y196 HydrophobicContact CB-CE2 4.15Å; L189-Y196 HydrophobicContact CD1-CE2 4.31Å; L189-Y196 HydrophobicContact CD2-CE2 4.5Å; F191-Y196 HydrophobicContact CB-CE2 3.94Å; N192-Y196 VanDerWaalsContact O-CD2 3.31Å; N192-Y196 WeakPolarHBondContact O-CD2 3.44Å; L193-Y196 PolarHBondContact O-N 3.11Å; D194-Y196 VanDerWaalsContact C-N 3.31Å; D194-Y196 PolarHBondContact O-N 2.97Å
197T83.9Confident79.6Confident10 Ų1049.1 Ų49.16%0.06126%0.259CS..Hα-helixtrans-75.4-39.5-179.152.70000112.3L177 L193 D194 S236 F237 P239L177-T197 HydrophobicContact CD1-CG2 4.07Å; L193-T197 PolarHBondContact O-N 2.86Å; L193-T197 PolarHBondContact O-OG1 2.8Å; D194-T197 WeakPolarHBondContact CA-OG1 3.41Å; D194-T197 PolarHBondContact O-N 3.5Å; D194-T197 PolarHBondContact O-OG1 2.81Å; T197-S236 WeakPolarHBondContact O-CA 3.28Å; T197-F237 WeakPolarHBondContact CB-O 3.45Å; T197-F237 PolarHBondContact O-N 3.36Å; T197-P239 HydrophobicContact CG2-CB 4.44Å; T197-P239 HydrophobicContact CG2-CG 4.27Å
198E82.8Confident80.2Confident103 Ų10351.7 Ų51.748%0.48126%0.261SS..Hα-helixtrans-94.4-5179.5-61.1-172.4173.600112.6D194 L200D194-E198 WeakPolarHBondContact O-CB 3.28Å; D194-E198 PolarHBondContact O-N 2.9Å; E198-L200 VanDerWaalsContact C-N 3.32Å; E198-L200 HydrophobicContact CB-CD1 4.25Å; E198-L200 HydrophobicContact CB-CD2 3.73Å; E198-L200 HydrophobicContact CB-CG 3.73Å; E198-L200 PolarHBondContact O-N 3.37Å
199V79.8Confident80.8Confident19 Ų1942.4 Ų42.412%0.11522%0.221CC..THydrogen-bonded Turntrans54.251.8179.5-167.10000109.9L159 Y195 L202 I229 V235 F237L159-V199 HydrophobicContact CD1-CG1 3.8Å; L159-V199 HydrophobicContact CD2-CG1 4Å; L159-V199 HydrophobicContact CD2-CG2 3.89Å; Y195-V199 VanDerWaalsContact O-CA 3.22Å; Y195-V199 WeakPolarHBondContact O-CA 3.47Å; Y195-V199 PolarHBondContact O-N 3.48Å; V199-L202 HydrophobicContact CG1-CD1 3.81Å; V199-L202 HydrophobicContact CG1-CD2 3.8Å; V199-L202 HydrophobicContact CG1-CG 3.97Å; V199-I229 HydrophobicContact CG1-CG2 4.18Å; V199-V235 HydrophobicContact CG2-CG1 4.42Å; V199-V235 WeakPolarHBondContact CG2-O 3.44Å; V199-F237 HydrophobicContact CG2-CD2 4.13Å; V199-F237 HydrophobicContact CG2-CE2 4.04Å
200L73.1Confident81Confident74 Ų7441.7 Ų41.739%0.38722%0.218SC..  trans-80.3134.8-175.8-58.6175.6000110.2Y195 E198 L202Y195-L200 HydrophobicContact CD2-CB 4.31Å; Y195-L200 WeakPolarHBondContact CD2-O 3.48Å; Y195-L200 WeakPolarHBondContact CE2-O 3.22Å; Y195-L200 VanDerWaalsContact CZ-O 3.23Å; Y195-L200 PolarHBondContact O-N 2.98Å; Y195-L200 VanDerWaalsContact O-N 3.09Å; Y195-L200 PolarHBondContact OH-O 3.48Å; E198-L200 VanDerWaalsContact C-N 3.32Å; E198-L200 HydrophobicContact CB-CD1 4.25Å; E198-L200 HydrophobicContact CB-CD2 3.73Å; E198-L200 HydrophobicContact CB-CG 3.73Å; E198-L200 PolarHBondContact O-N 3.37Å; L200-L202 PolarHBondContact O-N 2.9Å
201D79.3Confident81.6Confident74 Ų7443.1 Ų43.140%0.39623%0.225SC..  trans34.477168.3-164.3-7.4000113.9Y195 S203 Y204Y195-D201 WeakPolarHBondContact CE2-O 3.45Å; Y195-D201 PolarHBondContact OH-O 2.92Å; D201-S203 PolarHBondContact O-N 3.45Å; D201-S203 VanDerWaalsContact O-N 3.08Å; D201-S203 VanDerWaalsContact OD1-CB 3.24Å; D201-S203 WeakPolarHBondContact OD1-CB 3.33Å; D201-S203 PolarHBondContact OD1-N 2.92Å; D201-S203 PolarHBondContact OD1-OG 3.03Å; D201-Y204 HydrophobicContact CB-CD2 3.93Å; D201-Y204 HydrophobicContact CB-CE2 3.84Å; D201-Y204 VanDerWaalsContact CG-CE2 3.49Å; D201-Y204 VanDerWaalsContact O-CD2 3.31Å; D201-Y204 WeakPolarHBondContact O-CD2 3.41Å; D201-Y204 PolarHBondContact O-N 3.43Å; D201-Y204 WeakPolarHBondContact OD2-CE2 3.34Å
202L82.4Confident81.9Confident0 Ų044.1 Ų44.10%023%0.233CC..THydrogen-bonded Turntrans-69.5-5.9-176.9-66.1176.2000112.6F155 L159 Y195 V199 L200 Y204 L205 L206 V226 I229 E230F155-L202 HydrophobicContact CE1-CD2 4.21Å; L159-L202 HydrophobicContact CD1-CD1 3.67Å; L159-L202 HydrophobicContact CD1-CD2 3.77Å; L159-L202 HydrophobicContact CD1-CG 4.4Å; Y195-L202 WeakPolarHBondContact OH-CA 3.34Å; V199-L202 HydrophobicContact CG1-CD1 3.81Å; V199-L202 HydrophobicContact CG1-CD2 3.8Å; V199-L202 HydrophobicContact CG1-CG 3.97Å; L200-L202 PolarHBondContact O-N 2.9Å; L202-Y204 PolarHBondContact O-N 2.94Å; L202-L205 HydrophobicContact CD2-CD1 3.79Å; L202-L205 WeakPolarHBondContact O-CB 3.49Å; L202-L205 PolarHBondContact O-N 2.83Å; L202-L205 VanDerWaalsContact O-N 3.1Å; L202-L206 PolarHBondContact O-N 3.03Å; L202-V226 HydrophobicContact CB-CB 4.21Å; L202-V226 HydrophobicContact CB-CG1 3.44Å; L202-V226 VanDerWaalsContact CB-CG1 3.44Å; L202-V226 HydrophobicContact CB-CG2 3.85Å; L202-V226 HydrophobicContact CD1-CG1 4.36Å; L202-V226 HydrophobicContact CD1-CG2 4.4Å; L202-I229 HydrophobicContact CD1-CB 4Å; L202-I229 HydrophobicContact CD1-CD1 4.24Å; L202-I229 HydrophobicContact CD1-CG2 3.75Å; L202-E230 HydrophobicContact CD1-CG 4.19Å; L202-E230 HydrophobicContact CG-CG 4.43Å; L202-E230 PolarHBondContact N-OE1 3.04Å
203S80.9Confident82.1Confident47 Ų4746.2 Ų46.233%0.32925%0.25SC..Hα-helixtrans-59.5-32.8175.376.90000112.4D201 L205 L206 D207D201-S203 PolarHBondContact O-N 3.45Å; D201-S203 VanDerWaalsContact O-N 3.08Å; D201-S203 VanDerWaalsContact OD1-CB 3.24Å; D201-S203 WeakPolarHBondContact OD1-CB 3.33Å; D201-S203 PolarHBondContact OD1-N 2.92Å; D201-S203 PolarHBondContact OD1-OG 3.03Å; S203-L205 VanDerWaalsContact C-N 3.29Å; S203-L205 PolarHBondContact O-N 3.32Å; S203-L206 VanDerWaalsContact O-CB 3.3Å; S203-L206 WeakPolarHBondContact O-CB 3.38Å; S203-L206 PolarHBondContact O-N 3.38Å; S203-D207 PolarHBondContact O-N 3.2Å
204Y80.7Confident82.3Confident123 Ų12351.8 Ų51.848%0.48227%0.274SS..Hα-helixtrans-62.6-34.5175.7-67.4-74.1000112.9F191 Y195 D201 L202 L206 H208F191-Y204 HydrophobicContact CE1-CG 4.37Å; F191-Y204 HydrophobicContact CZ-CG 4.44Å; Y195-Y204 HydrophobicContact CE2-CD2 4.16Å; D201-Y204 HydrophobicContact CB-CD2 3.93Å; D201-Y204 HydrophobicContact CB-CE2 3.84Å; D201-Y204 VanDerWaalsContact CG-CE2 3.49Å; D201-Y204 VanDerWaalsContact O-CD2 3.31Å; D201-Y204 WeakPolarHBondContact O-CD2 3.41Å; D201-Y204 PolarHBondContact O-N 3.43Å; D201-Y204 WeakPolarHBondContact OD2-CE2 3.34Å; L202-Y204 PolarHBondContact O-N 2.94Å; Y204-L206 VanDerWaalsContact C-N 3.34Å; Y204-H208 PolarHBondContact O-N 3.01Å; Y204-H208 PolarHBondContact O-ND1 3.23Å
205L82.4Confident82.5Confident0 Ų053.3 Ų53.30%028%0.279CS..Hα-helixtrans-71-30.7174-69.3172.6000112P152 F155 I156 F191 Y195 L202 S203 D207 H208 L209P152-L205 HydrophobicContact CB-CB 4.28Å; P152-L205 HydrophobicContact CB-CD2 3.74Å; P152-L205 HydrophobicContact CG-CD2 3.84Å; F155-L205 HydrophobicContact CD1-CD1 3.65Å; F155-L205 HydrophobicContact CE1-CD1 4.25Å; I156-L205 HydrophobicContact CD1-CB 4.46Å; I156-L205 HydrophobicContact CG1-CD1 4.4Å; F191-L205 HydrophobicContact CD2-CD2 4.29Å; F191-L205 HydrophobicContact CE2-CD2 3.87Å; F191-L205 HydrophobicContact CE2-CG 4.47Å; Y195-L205 HydrophobicContact CE1-CD1 3.86Å; Y195-L205 HydrophobicContact CE1-CD2 4.17Å; Y195-L205 HydrophobicContact CE1-CG 3.83Å; Y195-L205 WeakPolarHBondContact OH-CG 3.36Å; L202-L205 HydrophobicContact CD2-CD1 3.79Å; L202-L205 WeakPolarHBondContact O-CB 3.49Å; L202-L205 PolarHBondContact O-N 2.83Å; L202-L205 VanDerWaalsContact O-N 3.1Å; S203-L205 VanDerWaalsContact C-N 3.29Å; S203-L205 PolarHBondContact O-N 3.32Å; L205-D207 VanDerWaalsContact C-N 3.33Å; L205-D207 PolarHBondContact O-N 2.81Å; L205-H208 PolarHBondContact O-N 3.45Å; L205-L209 WeakPolarHBondContact O-CB 3.31Å; L205-L209 WeakPolarHBondContact O-CG 3.31Å; L205-L209 PolarHBondContact O-N 3.43Å
206L83.3Confident82.6Confident18 Ų1860.1 Ų60.19%0.09431%0.305CS..Hα-helixtrans-63.7-40.3176.9-64176.6000111.8L202 S203 Y204 L209 A210 N222 E223 V226L202-L206 PolarHBondContact O-N 3.03Å; S203-L206 VanDerWaalsContact O-CB 3.3Å; S203-L206 WeakPolarHBondContact O-CB 3.38Å; S203-L206 PolarHBondContact O-N 3.38Å; Y204-L206 VanDerWaalsContact C-N 3.34Å; L206-L209 PolarHBondContact O-N 2.96Å; L206-A210 WeakPolarHBondContact O-CB 3.29Å; L206-A210 PolarHBondContact O-N 3.33Å; L206-N222 VanDerWaalsContact CD2-C 3.48Å; L206-N222 HydrophobicContact CD2-CB 3.55Å; L206-E223 HydrophobicContact CD1-CB 4.11Å; L206-E223 HydrophobicContact CD1-CG 4.32Å; L206-V226 HydrophobicContact CD1-CB 4.17Å; L206-V226 HydrophobicContact CD1-CG1 4.18Å; L206-V226 HydrophobicContact CD1-CG2 4.27Å; L206-V226 HydrophobicContact CD2-CB 4.28Å; L206-V226 HydrophobicContact CD2-CG2 3.64Å; L206-V226 HydrophobicContact CG-CB 4.4Å; L206-V226 HydrophobicContact CG-CG2 3.94Å
207D83.3Confident82.7Confident87 Ų8767.4 Ų67.447%0.46534%0.339SS..Hα-helixtrans-68.9-38.6177.4-75.8-28000111.6S203 L205 A210 S211 R219S203-D207 PolarHBondContact O-N 3.2Å; L205-D207 VanDerWaalsContact C-N 3.33Å; L205-D207 PolarHBondContact O-N 2.81Å; D207-A210 PolarHBondContact O-N 2.92Å; D207-S211 PolarHBondContact O-N 2.96Å; D207-R219 IonicContact OD1-CZ 2.78Å; D207-R219 IonicContact OD1-NH1 2.86Å; D207-R219 IonicContact OD1-NH2 3.22Å; D207-R219 PolarHBondContact OD1-NH2 3.46Å
208H83Confident82.9Confident91 Ų9171.6 Ų71.642%0.42135%0.354SS..Hα-helixtrans-62.8-42.5172-78.272.8000111.8P152 F191 Y204 L205 A210 S211P152-H208 HydrophobicContact CG-CB 4.14Å; F191-H208 AromaticContact CZ-CE1 3.67Å; F191-H208 AromaticContact CZ-ND1 3.92Å; Y204-H208 PolarHBondContact O-N 3.01Å; Y204-H208 PolarHBondContact O-ND1 3.23Å; L205-H208 PolarHBondContact O-N 3.45Å; H208-A210 PolarHBondContact O-N 3.35Å; H208-S211 VanDerWaalsContact O-CB 3.28Å; H208-S211 WeakPolarHBondContact O-CB 3.46Å; H208-S211 PolarHBondContact O-N 3.11Å; H208-S211 PolarHBondContact O-OG 2.82Å
209L84Confident83.1Confident10 Ų1072.2 Ų72.25%0.05235%0.352CS..Hα-helixtrans-62.3-43.1174.8-78.1169000112P152 A153 I156 L205 L206 S211 D212 F215P152-L209 HydrophobicContact CB-CD1 4.38Å; P152-L209 HydrophobicContact CB-CD2 3.95Å; P152-L209 HydrophobicContact CB-CG 3.81Å; A153-L209 HydrophobicContact CB-CD2 3.71Å; I156-L209 HydrophobicContact CD1-CD1 3.41Å; I156-L209 VanDerWaalsContact CD1-CD1 3.41Å; L205-L209 WeakPolarHBondContact O-CB 3.31Å; L205-L209 WeakPolarHBondContact O-CG 3.31Å; L205-L209 PolarHBondContact O-N 3.43Å; L206-L209 PolarHBondContact O-N 2.96Å; L209-S211 PolarHBondContact O-N 2.96Å; L209-S211 VanDerWaalsContact O-N 3.09Å; L209-D212 WeakPolarHBondContact O-CB 3.22Å; L209-D212 PolarHBondContact O-N 3.42Å; L209-F215 HydrophobicContact CB-CB 4.23Å; L209-F215 HydrophobicContact CD2-CD1 4.34Å; L209-F215 HydrophobicContact CD2-CD2 3.78Å; L209-F215 HydrophobicContact CD2-CE2 4.01Å; L209-F215 HydrophobicContact CD2-CG 3.98Å; L209-F215 HydrophobicContact CD2-CZ 4.38Å; L209-F215 VanDerWaalsContact O-CB 3.25Å; L209-F215 WeakPolarHBondContact O-CB 3.31Å
210A82.7Confident83.6Confident10 Ų1079 Ų798%0.08338%0.383CS..Hα-helixtrans-66.6-10.6-178.900000114.2L206 D207 H208 D212 R216L206-A210 WeakPolarHBondContact O-CB 3.29Å; L206-A210 PolarHBondContact O-N 3.33Å; D207-A210 PolarHBondContact O-N 2.92Å; H208-A210 PolarHBondContact O-N 3.35Å; A210-D212 VanDerWaalsContact C-N 3.26Å; A210-R216 PolarHBondContact O-NE 3.06Å; A210-R216 VanDerWaalsContact O-NE 3.08Å; A210-R216 PolarHBondContact O-NH2 3.5Å
211S83.3Confident84.4Confident88 Ų8880.2 Ų80.262%0.61539%0.389SS*.THydrogen-bonded Turntrans-64.3-32.8169.776.50000111.8D207 H208 L209D207-S211 PolarHBondContact O-N 2.96Å; H208-S211 VanDerWaalsContact O-CB 3.28Å; H208-S211 WeakPolarHBondContact O-CB 3.46Å; H208-S211 PolarHBondContact O-N 3.11Å; H208-S211 PolarHBondContact O-OG 2.82Å; L209-S211 PolarHBondContact O-N 2.96Å; L209-S211 VanDerWaalsContact O-N 3.09Å
212D84.8Confident84.9Confident69 Ų6977.6 Ų77.637%0.36938%0.375SS..SBendtrans-77127.9174.5-168.6-54.4000110.5L209 A210 F214 F215 R216L209-D212 WeakPolarHBondContact O-CB 3.22Å; L209-D212 PolarHBondContact O-N 3.42Å; A210-D212 VanDerWaalsContact C-N 3.26Å; D212-F214 PolarHBondContact O-N 2.95Å; D212-F214 VanDerWaalsContact OD1-CB 3.25Å; D212-F214 WeakPolarHBondContact OD1-CB 3.41Å; D212-F214 PolarHBondContact OD1-N 2.74Å; D212-F215 HydrophobicContact CB-CB 4.32Å; D212-F215 HydrophobicContact CB-CD2 3.68Å; D212-F215 HydrophobicContact CB-CG 4.46Å; D212-F215 PolarHBondContact O-N 3.34Å; D212-R216 WeakPolarHBondContact O-CB 3.48Å; D212-R216 PolarHBondContact O-N 3.2Å
213P85.3Confident85.2Confident107 Ų10782.2 Ų82.270%0.69540%0.397SS*.Hα-helixtrans-54.2-33.9177.3-25.834.5000114.6
214F86Confident85.7Confident121 Ų12186.1 Ų86.153%0.53141%0.408SS..Hα-helixtrans-68.5-54.2178.1177.6-96.1000111D212 R216 H217 Y218D212-F214 PolarHBondContact O-N 2.95Å; D212-F214 VanDerWaalsContact OD1-CB 3.25Å; D212-F214 WeakPolarHBondContact OD1-CB 3.41Å; D212-F214 PolarHBondContact OD1-N 2.74Å; F214-R216 VanDerWaalsContact C-N 3.27Å; F214-R216 PolarHBondContact O-N 3.17Å; F214-H217 WeakPolarHBondContact O-CB 3.45Å; F214-H217 PolarHBondContact O-N 3.28Å; F214-Y218 HydrophobicContact CD1-CD2 4.38Å; F214-Y218 HydrophobicContact CD1-CE2 4.35Å; F214-Y218 HydrophobicContact CD2-CE2 4.24Å; F214-Y218 HydrophobicContact CE1-CD2 4.07Å; F214-Y218 AromaticContact CE1-CE2 3.88Å; F214-Y218 HydrophobicContact CE1-CE2 3.88Å; F214-Y218 AromaticContact CE2-CE2 3.77Å; F214-Y218 HydrophobicContact CE2-CE2 3.77Å; F214-Y218 HydrophobicContact CZ-CD2 4.23Å; F214-Y218 AromaticContact CZ-CE2 3.57Å; F214-Y218 HydrophobicContact CZ-CE2 3.57Å; F214-Y218 VanDerWaalsContact O-CD2 3.31Å; F214-Y218 WeakPolarHBondContact O-CD2 3.25Å
215F84.9Confident86.1Confident54 Ų5483.1 Ų83.124%0.23740%0.4CS..Hα-helixtrans-69.3-25.1-177.1-69.4-59.7000113A153 L209 D212 H217 Y218 R219A153-F215 HydrophobicContact CB-CE1 4.17Å; A153-F215 HydrophobicContact CB-CE2 4.14Å; A153-F215 HydrophobicContact CB-CZ 3.63Å; L209-F215 HydrophobicContact CB-CB 4.23Å; L209-F215 HydrophobicContact CD2-CD1 4.34Å; L209-F215 HydrophobicContact CD2-CD2 3.78Å; L209-F215 HydrophobicContact CD2-CE2 4.01Å; L209-F215 HydrophobicContact CD2-CG 3.98Å; L209-F215 HydrophobicContact CD2-CZ 4.38Å; L209-F215 VanDerWaalsContact O-CB 3.25Å; L209-F215 WeakPolarHBondContact O-CB 3.31Å; D212-F215 HydrophobicContact CB-CB 4.32Å; D212-F215 HydrophobicContact CB-CD2 3.68Å; D212-F215 HydrophobicContact CB-CG 4.46Å; D212-F215 PolarHBondContact O-N 3.34Å; F215-H217 PolarHBondContact O-N 2.69Å; F215-Y218 CarbonylContact O-C 3.57Å; F215-Y218 PolarHBondContact O-N 2.96Å; F215-R219 PolarHBondContact O-N 3.27Å
216R85.2Confident86.4Confident153 Ų15383.3 Ų83.358%0.57740%0.401SS*.Hα-helixtrans-56.8-35.9172.6-170179.3-62174.53.3112.7A210 D212 F214 Y218 R219A210-R216 PolarHBondContact O-NE 3.06Å; A210-R216 VanDerWaalsContact O-NE 3.08Å; A210-R216 PolarHBondContact O-NH2 3.5Å; D212-R216 WeakPolarHBondContact O-CB 3.48Å; D212-R216 PolarHBondContact O-N 3.2Å; F214-R216 VanDerWaalsContact C-N 3.27Å; F214-R216 PolarHBondContact O-N 3.17Å; R216-Y218 PolarHBondContact O-N 2.87Å; R216-R219 PolarHBondContact O-N 3.28Å
217H86.9Confident86.6Confident157 Ų15786 Ų8673%0.72741%0.413SS*.Hα-helixtrans-66.6-28.1176.7-169.967.3000112.4F214 F215F214-H217 WeakPolarHBondContact O-CB 3.45Å; F214-H217 PolarHBondContact O-N 3.28Å; F215-H217 PolarHBondContact O-N 2.69Å
218Y87.1Confident86.8Confident98 Ų9885.6 Ų85.638%0.38441%0.41SS..THydrogen-bonded Turntrans-102.616.8-177.8-59-75.4000113.5F214 F215 R216 Q220 L221 N222F214-Y218 HydrophobicContact CD1-CD2 4.38Å; F214-Y218 HydrophobicContact CD1-CE2 4.35Å; F214-Y218 HydrophobicContact CD2-CE2 4.24Å; F214-Y218 HydrophobicContact CE1-CD2 4.07Å; F214-Y218 AromaticContact CE1-CE2 3.88Å; F214-Y218 HydrophobicContact CE1-CE2 3.88Å; F214-Y218 AromaticContact CE2-CE2 3.77Å; F214-Y218 HydrophobicContact CE2-CE2 3.77Å; F214-Y218 HydrophobicContact CZ-CD2 4.23Å; F214-Y218 AromaticContact CZ-CE2 3.57Å; F214-Y218 HydrophobicContact CZ-CE2 3.57Å; F214-Y218 VanDerWaalsContact O-CD2 3.31Å; F214-Y218 WeakPolarHBondContact O-CD2 3.25Å; F215-Y218 CarbonylContact O-C 3.57Å; F215-Y218 PolarHBondContact O-N 2.96Å; R216-Y218 PolarHBondContact O-N 2.87Å; Y218-Q220 VanDerWaalsContact C-N 3.3Å; Y218-Q220 PolarHBondContact O-N 3.4Å; Y218-L221 HydrophobicContact CD1-CD2 4.48Å; Y218-L221 WeakPolarHBondContact O-CB 3.34Å; Y218-L221 PolarHBondContact O-N 3.21Å; Y218-N222 PolarHBondContact O-N 3.42Å
219R87Confident87Confident117 Ų11781.4 Ų81.444%0.44239%0.391SS..Hα-helixtrans-52.2-45.7-175.6-174.5175.4-179.2130.29.1113D207 F215 R216 L221 N222 E223D207-R219 IonicContact OD1-CZ 2.78Å; D207-R219 IonicContact OD1-NH1 2.86Å; D207-R219 IonicContact OD1-NH2 3.22Å; D207-R219 PolarHBondContact OD1-NH2 3.46Å; F215-R219 PolarHBondContact O-N 3.27Å; R216-R219 PolarHBondContact O-N 3.28Å; R219-L221 VanDerWaalsContact C-N 3.31Å; R219-L221 PolarHBondContact O-N 2.97Å; R219-N222 PolarHBondContact O-N 3.42Å; R219-E223 WeakPolarHBondContact O-CB 3.44Å; R219-E223 PolarHBondContact O-N 2.92Å
220Q90.1Very high87Confident162 Ų16284 Ų8476%0.75740%0.403SS*.Hα-helixtrans-63.6-35.4179.3-67.6-179.82.500112.8Y218 K224Y218-Q220 VanDerWaalsContact C-N 3.3Å; Y218-Q220 PolarHBondContact O-N 3.4Å; Q220-K224 VanDerWaalsContact O-CG 3.32Å; Q220-K224 WeakPolarHBondContact O-CG 3.2Å; Q220-K224 PolarHBondContact O-N 3.32Å
221L90.1Very high87.1Confident98 Ų9889.1 Ų89.151%0.51343%0.429SS..Hα-helixtrans-68.9-48.1176.2175.363.7000110.3Y218 R219 E223 K224 L225Y218-L221 HydrophobicContact CD1-CD2 4.48Å; Y218-L221 WeakPolarHBondContact O-CB 3.34Å; Y218-L221 PolarHBondContact O-N 3.21Å; R219-L221 VanDerWaalsContact C-N 3.31Å; R219-L221 PolarHBondContact O-N 2.97Å; L221-E223 VanDerWaalsContact C-N 3.29Å; L221-E223 PolarHBondContact O-N 3Å; L221-K224 PolarHBondContact O-N 3.02Å; L221-K224 VanDerWaalsContact O-N 3.1Å; L221-L225 HydrophobicContact CG-CD1 4.4Å; L221-L225 WeakPolarHBondContact O-CG 3.26Å; L221-L225 PolarHBondContact O-N 3.3Å
222N89Confident86.8Confident20 Ų2090.7 Ų90.711%0.10742%0.422CS..Hα-helixtrans-60.6-40.7179-66.6-19.8000111.3L206 Y218 R219 K224 L225 V226L206-N222 VanDerWaalsContact CD2-C 3.48Å; L206-N222 HydrophobicContact CD2-CB 3.55Å; Y218-N222 PolarHBondContact O-N 3.42Å; R219-N222 PolarHBondContact O-N 3.42Å; N222-K224 VanDerWaalsContact C-N 3.33Å; N222-K224 PolarHBondContact O-N 3.13Å; N222-L225 PolarHBondContact O-N 3.13Å; N222-V226 PolarHBondContact O-N 3.12Å
223E90.4Very high86.4Confident97 Ų9792.3 Ų92.345%0.45344%0.439SS..Hα-helixtrans-59.1-42.7174.1-175.3179.6-172.400111.9L206 R219 L221 V226 Q227L206-E223 HydrophobicContact CD1-CB 4.11Å; L206-E223 HydrophobicContact CD1-CG 4.32Å; R219-E223 WeakPolarHBondContact O-CB 3.44Å; R219-E223 PolarHBondContact O-N 2.92Å; L221-E223 VanDerWaalsContact C-N 3.29Å; L221-E223 PolarHBondContact O-N 3Å; E223-V226 PolarHBondContact O-N 2.77Å; E223-Q227 VanDerWaalsContact O-CB 3.28Å; E223-Q227 WeakPolarHBondContact O-CB 3.36Å; E223-Q227 PolarHBondContact O-N 3.2Å
224K91.1Very high86Confident128 Ų12891.2 Ų91.256%0.55743%0.427SS*.Hα-helixtrans-68.5-34.3176.6-69.1-69.7161.6-156.60113.3Q220 L221 N222 L228Q220-K224 VanDerWaalsContact O-CG 3.32Å; Q220-K224 WeakPolarHBondContact O-CG 3.2Å; Q220-K224 PolarHBondContact O-N 3.32Å; L221-K224 PolarHBondContact O-N 3.02Å; L221-K224 VanDerWaalsContact O-N 3.1Å; N222-K224 VanDerWaalsContact C-N 3.33Å; N222-K224 PolarHBondContact O-N 3.13Å; K224-L228 WeakPolarHBondContact O-CB 3.38Å; K224-L228 PolarHBondContact O-N 3.27Å
225L88.6Confident86Confident60 Ų6085.9 Ų85.931%0.31440%0.404SS..Hα-helixtrans-66.9-45.2174.4-69.5174.4000111.5L221 N222 L228 I229L221-L225 HydrophobicContact CG-CD1 4.4Å; L221-L225 WeakPolarHBondContact O-CG 3.26Å; L221-L225 PolarHBondContact O-N 3.3Å; N222-L225 PolarHBondContact O-N 3.13Å; L225-L228 PolarHBondContact O-N 3.27Å; L225-I229 WeakPolarHBondContact O-CD1 3.49Å; L225-I229 WeakPolarHBondContact O-CG1 3.3Å; L225-I229 PolarHBondContact O-N 3.34Å; L225-I229 VanDerWaalsContact O-N 3.11Å
226V87.9Confident86.2Confident4 Ų486.7 Ų86.72%0.02442%0.416CS..Hα-helixtrans-60.9-49.9175.5157.10000111I156 L202 L206 N222 E223 L228 I229 E230I156-V226 HydrophobicContact CD1-CG2 3.9Å; I156-V226 HydrophobicContact CG1-CG2 4.49Å; L202-V226 HydrophobicContact CB-CB 4.21Å; L202-V226 HydrophobicContact CB-CG1 3.44Å; L202-V226 VanDerWaalsContact CB-CG1 3.44Å; L202-V226 HydrophobicContact CB-CG2 3.85Å; L202-V226 HydrophobicContact CD1-CG1 4.36Å; L202-V226 HydrophobicContact CD1-CG2 4.4Å; L206-V226 HydrophobicContact CD1-CB 4.17Å; L206-V226 HydrophobicContact CD1-CG1 4.18Å; L206-V226 HydrophobicContact CD1-CG2 4.27Å; L206-V226 HydrophobicContact CD2-CB 4.28Å; L206-V226 HydrophobicContact CD2-CG2 3.64Å; L206-V226 HydrophobicContact CG-CB 4.4Å; L206-V226 HydrophobicContact CG-CG2 3.94Å; N222-V226 PolarHBondContact O-N 3.12Å; E223-V226 PolarHBondContact O-N 2.77Å; V226-L228 PolarHBondContact O-N 3.04Å; V226-I229 PolarHBondContact O-N 3.1Å; V226-E230 HydrophobicContact CG1-CG 4.39Å; V226-E230 PolarHBondContact O-N 3.04Å
227Q88.5Confident86.6Confident75 Ų7579.8 Ų79.835%0.3539%0.391SS..Hα-helixtrans-55.2-42.3177.7-176.5179.4700111.1E223 I229 E230 D231E223-Q227 VanDerWaalsContact O-CB 3.28Å; E223-Q227 WeakPolarHBondContact O-CB 3.36Å; E223-Q227 PolarHBondContact O-N 3.2Å; Q227-I229 PolarHBondContact O-N 2.76Å; Q227-E230 PolarHBondContact O-N 3.34Å; Q227-D231 WeakPolarHBondContact CG-OD2 3.28Å; Q227-D231 WeakPolarHBondContact O-CB 3.48Å; Q227-D231 PolarHBondContact O-N 2.76Å
228L87.6Confident86.9Confident78 Ų7874.3 Ų74.341%0.40837%0.366SS..Hα-helixtrans-61.6-44.4176.7-177.8144.2000111.6L163 K224 L225 V226 Y232L163-L228 HydrophobicContact CD2-CD2 3.44Å; L163-L228 VanDerWaalsContact CD2-CD2 3.44Å; K224-L228 WeakPolarHBondContact O-CB 3.38Å; K224-L228 PolarHBondContact O-N 3.27Å; L225-L228 PolarHBondContact O-N 3.27Å; V226-L228 PolarHBondContact O-N 3.04Å; L228-Y232 HydrophobicContact CD2-CD2 4.28Å; L228-Y232 HydrophobicContact CD2-CE2 4.45Å; L228-Y232 HydrophobicContact CG-CD2 4.15Å; L228-Y232 HydrophobicContact CG-CE2 4.11Å; L228-Y232 VanDerWaalsContact O-CD2 3.26Å; L228-Y232 WeakPolarHBondContact O-CD2 3.48Å; L228-Y232 PolarHBondContact O-N 3.36Å
229I86.7Confident87.2Confident4 Ų470.2 Ų70.22%0.02135%0.351CS..Hα-helixtrans-62.9-45.8179-64.8156.4000111I156 L159 V199 L202 L225 V226 Q227 S233I156-I229 HydrophobicContact CG2-CD1 4.28Å; L159-I229 HydrophobicContact CB-CD1 3.58Å; L159-I229 HydrophobicContact CB-CG1 4.16Å; L159-I229 HydrophobicContact CB-CG2 4.23Å; L159-I229 HydrophobicContact CD1-CD1 4.06Å; L159-I229 HydrophobicContact CD1-CG2 4.2Å; L159-I229 HydrophobicContact CG-CD1 4.48Å; V199-I229 HydrophobicContact CG1-CG2 4.18Å; L202-I229 HydrophobicContact CD1-CB 4Å; L202-I229 HydrophobicContact CD1-CD1 4.24Å; L202-I229 HydrophobicContact CD1-CG2 3.75Å; L225-I229 WeakPolarHBondContact O-CD1 3.49Å; L225-I229 WeakPolarHBondContact O-CG1 3.3Å; L225-I229 PolarHBondContact O-N 3.34Å; L225-I229 VanDerWaalsContact O-N 3.11Å; V226-I229 PolarHBondContact O-N 3.1Å; Q227-I229 PolarHBondContact O-N 2.76Å; I229-S233 PolarHBondContact O-N 3.11Å; I229-S233 VanDerWaalsContact O-N 3.11Å
230E84.9Confident87.6Confident65 Ų6564.8 Ų64.830%0.30433%0.331SS..Hα-helixtrans-66.7-43180-68.3-179.6154.100111.9L202 V226 Q227 Y232 S233L202-E230 HydrophobicContact CD1-CG 4.19Å; L202-E230 HydrophobicContact CG-CG 4.43Å; L202-E230 PolarHBondContact N-OE1 3.04Å; V226-E230 HydrophobicContact CG1-CG 4.39Å; V226-E230 PolarHBondContact O-N 3.04Å; Q227-E230 PolarHBondContact O-N 3.34Å; E230-Y232 VanDerWaalsContact C-N 3.29Å; E230-Y232 PolarHBondContact O-N 3.43Å; E230-S233 WeakPolarHBondContact O-CB 3.36Å; E230-S233 PolarHBondContact O-N 3.45Å; E230-S233 VanDerWaalsContact O-N 3.07Å; E230-S233 PolarHBondContact O-OG 2.98Å
231D83Confident87.8Confident116 Ų11657.9 Ų57.962%0.6230%0.3SS*.Hα-helixtrans-61.4-37.7-179.5-76.6-14.2000111.9Q227Q227-D231 WeakPolarHBondContact CG-OD2 3.28Å; Q227-D231 WeakPolarHBondContact O-CB 3.48Å; Q227-D231 PolarHBondContact O-N 2.76Å
232Y78.4Confident88Confident122 Ų12255.1 Ų55.148%0.47829%0.285SS..Hα-helixtrans-75.1-33.6174.8-82.1-82000112L163 L228 E230 L234L163-Y232 HydrophobicContact CD1-CG 4.32Å; L163-Y232 HydrophobicContact CD2-CD2 4.07Å; L163-Y232 HydrophobicContact CD2-CG 4.33Å; L228-Y232 HydrophobicContact CD2-CD2 4.28Å; L228-Y232 HydrophobicContact CD2-CE2 4.45Å; L228-Y232 HydrophobicContact CG-CD2 4.15Å; L228-Y232 HydrophobicContact CG-CE2 4.11Å; L228-Y232 VanDerWaalsContact O-CD2 3.26Å; L228-Y232 WeakPolarHBondContact O-CD2 3.48Å; L228-Y232 PolarHBondContact O-N 3.36Å; E230-Y232 VanDerWaalsContact C-N 3.29Å; E230-Y232 PolarHBondContact O-N 3.43Å; Y232-L234 HydrophobicContact CD1-CD1 4.26Å; Y232-L234 WeakPolarHBondContact O-CG 3.31Å; Y232-L234 PolarHBondContact O-N 3.46Å
233S75.7Confident88Confident102 Ų10261.7 Ų61.771%0.71332%0.315SS*.  trans49.626.4179.2-75.10000114.1I229 E230I229-S233 PolarHBondContact O-N 3.11Å; I229-S233 VanDerWaalsContact O-N 3.11Å; E230-S233 WeakPolarHBondContact O-CB 3.36Å; E230-S233 PolarHBondContact O-N 3.45Å; E230-S233 VanDerWaalsContact O-N 3.07Å; E230-S233 PolarHBondContact O-OG 2.98Å
234L77.1Confident88.1Confident85 Ų8558.3 Ų58.345%0.44530%0.3SS..  trans-89.9-25.1-177.1-67.6-179.2000112.5L163 M166 Y232 S236L163-L234 HydrophobicContact CD1-CB 4.24Å; L163-L234 HydrophobicContact CD1-CD1 4.1Å; M166-L234 HydrophobicContact CE-CB 3.99Å; M166-L234 WeakPolarHBondContact CE-O 3.46Å; M166-L234 HydrophobicContact SD-CB 4.48Å; Y232-L234 HydrophobicContact CD1-CD1 4.26Å; Y232-L234 WeakPolarHBondContact O-CG 3.31Å; Y232-L234 PolarHBondContact O-N 3.46Å; L234-S236 PolarHBondContact O-N 3.13Å
235V85Confident88.1Confident8 Ų857.9 Ų57.95%0.04830%0.298CS..  trans-90.3112.7-171.5-171.90000109.3L159 L163 M166 V199 F237L159-V235 HydrophobicContact CD2-CG1 3.79Å; L163-V235 HydrophobicContact CB-CG2 3.95Å; L163-V235 HydrophobicContact CD1-CG2 4.31Å; M166-V235 HydrophobicContact SD-CG2 4.17Å; V199-V235 HydrophobicContact CG2-CG1 4.42Å; V199-V235 WeakPolarHBondContact CG2-O 3.44Å; V235-F237 HydrophobicContact CG1-CD2 4.39Å; V235-F237 HydrophobicContact CG1-CE2 3.53Å; V235-F237 HydrophobicContact CG1-CZ 3.64Å
236S90.3Very high88.2Confident71 Ų7159.5 Ų59.550%0.49730%0.304SS..  trans-137.7158.1163.4620000108.8N175 T197 L234N175-S236 WeakPolarHBondContact CB-O 3.37Å; N175-S236 PolarHBondContact ND2-O 3.19Å; T197-S236 WeakPolarHBondContact O-CA 3.28Å; L234-S236 PolarHBondContact O-N 3.13Å
237F92.6Very high88.4Confident9 Ų959.3 Ų59.34%0.03930%0.303CS..EExtended strand (participates in β ladder)trans-123.8138.6-176.1-60.1-91.2000112.2V144 V158 L159 N175 L177 T197 V199 V235V144-F237 HydrophobicContact CB-CE1 4.1Å; V144-F237 HydrophobicContact CG2-CE1 3.79Å; V158-F237 HydrophobicContact CG1-CZ 4.48Å; L159-F237 HydrophobicContact CD2-CE2 3.58Å; L159-F237 HydrophobicContact CD2-CZ 4.02Å; N175-F237 HydrophobicContact CB-CD1 3.35Å; N175-F237 HydrophobicContact CB-CE1 3.5Å; N175-F237 VanDerWaalsContact CB-CE1 3.5Å; N175-F237 HydrophobicContact CB-CG 4.15Å; N175-F237 HydrophobicContact CB-CZ 4.38Å; N175-F237 WeakPolarHBondContact O-CA 3.45Å; L177-F237 HydrophobicContact CB-CB 4.39Å; L177-F237 HydrophobicContact CD1-CB 3.85Å; L177-F237 HydrophobicContact CD1-CG 4.15Å; L177-F237 HydrophobicContact CD2-CD1 4.24Å; L177-F237 HydrophobicContact CD2-CG 4.4Å; L177-F237 HydrophobicContact CG-CB 3.65Å; L177-F237 HydrophobicContact CG-CD1 3.91Å; L177-F237 HydrophobicContact CG-CD2 4.48Å; L177-F237 HydrophobicContact CG-CG 3.77Å; T197-F237 WeakPolarHBondContact CB-O 3.45Å; T197-F237 PolarHBondContact O-N 3.36Å; V199-F237 HydrophobicContact CG2-CD2 4.13Å; V199-F237 HydrophobicContact CG2-CE2 4.04Å; V235-F237 HydrophobicContact CG1-CD2 4.39Å; V235-F237 HydrophobicContact CG1-CE2 3.53Å; V235-F237 HydrophobicContact CG1-CZ 3.64Å
238I93.9Very high88.6Confident41 Ų4156.1 Ų56.121%0.2129%0.288CS..EExtended strand (participates in β ladder)trans-93.3124.4165.9-56.8176.2000108I174 N175 L176 L177 L240 V251 A254I174-I238 HydrophobicContact CG2-CD1 3.86Å; N175-I238 PolarHBondContact O-N 2.87Å; L176-I238 WeakPolarHBondContact CA-O 3.48Å; L176-I238 HydrophobicContact CD2-CB 3.77Å; L176-I238 HydrophobicContact CD2-CG2 4.45Å; L177-I238 PolarHBondContact N-O 3.45Å; I238-L240 PolarHBondContact O-N 3Å; I238-V251 HydrophobicContact CB-CG2 4.48Å; I238-V251 HydrophobicContact CG2-CG2 3.83Å; I238-A254 HydrophobicContact CD1-CB 3.45Å; I238-A254 VanDerWaalsContact CD1-CB 3.45Å
239P93.4Very high88.9Confident12 Ų1253.3 Ų53.38%0.07827%0.273CS..EExtended strand (participates in β ladder)trans-68.3130.8175.825.8-31.1000110.1M180 T197 S247 R250 I291M180-P239 HydrophobicContact CE-CB 4.24Å; M180-P239 HydrophobicContact CG-CB 3.8Å; M180-P239 HydrophobicContact SD-CB 4.18Å; T197-P239 HydrophobicContact CG2-CB 4.44Å; T197-P239 HydrophobicContact CG2-CG 4.27Å; P239-S247 PolarHBondContact O-OG 3.2Å; P239-R250 PolarHBondContact O-NH1 3.07Å; P239-I291 HydrophobicContact CB-CG2 4.4Å; P239-I291 HydrophobicContact CG-CD1 4.02Å; P239-I291 HydrophobicContact CG-CG2 3.91Å
240L94.9Very high89.2Confident3 Ų355.6 Ų55.62%0.01628%0.281CS..  trans-123.4117.7-177.6174.667.9000111.3Y25 L143 L176 L177 S178 K179 M180 I238 S247 V251Y25-L240 HydrophobicContact CD2-CD2 3.55Å; Y25-L240 HydrophobicContact CE2-CD2 3.97Å; L143-L240 HydrophobicContact CD2-CD2 4.43Å; L176-L240 HydrophobicContact CB-CB 4.43Å; L176-L240 HydrophobicContact CD1-CD2 3.82Å; L177-L240 WeakPolarHBondContact O-CA 3.5Å; L177-L240 PolarHBondContact O-N 3.44Å; S178-L240 CarbonylContact C-O 3.58Å; K179-L240 PolarHBondContact N-O 2.77Å; M180-L240 WeakPolarHBondContact CG-O 3.32Å; M180-L240 PolarHBondContact N-O 3.3Å; I238-L240 PolarHBondContact O-N 3Å; L240-S247 VanDerWaalsContact CA-OG 3.31Å; L240-S247 WeakPolarHBondContact CA-OG 3.24Å; L240-V251 HydrophobicContact CD1-CG2 4.13Å
241N94.2Very high89.7Confident18 Ų1852.5 Ų52.510%0.09627%0.267CS..  trans-107.7115.1153.4175.9-2.8000108.2Q243 D244 S247 Y295N241-Q243 PolarHBondContact O-N 3.4Å; N241-Q243 WeakPolarHBondContact OD1-CB 3.31Å; N241-Q243 PolarHBondContact OD1-N 3.08Å; N241-D244 HydrophobicContact CB-CB 3.93Å; N241-D244 PolarHBondContact O-N 2.53Å; N241-D244 VanDerWaalsContact O-N 3.07Å; N241-S247 PolarHBondContact N-OG 3.44Å; N241-S247 VanDerWaalsContact N-OG 3.11Å; N241-S247 WeakPolarHBondContact O-CB 3.32Å; N241-Y295 HydrophobicContact CB-CE1 4.03Å; N241-Y295 WeakPolarHBondContact CB-OH 3.16Å
242I93.8Very high90.3Very high39 Ų3947.2 Ų47.220%0.224%0.238CC..THydrogen-bonded Turntrans-68.6-14.7-176.7-165.255.9000113.3T24 Y25 I248T24-I242 HydrophobicContact CG2-CG2 4.09Å; Y25-I242 HydrophobicContact CD2-CD1 4.06Å; I242-I248 HydrophobicContact CD1-CD1 4.27Å; I242-I248 HydrophobicContact CD1-CG1 4.2Å; I242-I248 VanDerWaalsContact O-CD1 3.26Å; I242-I248 WeakPolarHBondContact O-CD1 3.37Å
243Q90.9Very high91Very high158 Ų15845.7 Ų45.774%0.73824%0.236SC*.THydrogen-bonded Turntrans-88.3-15.7175-57.9-178.5-10.300112.2N241N241-Q243 PolarHBondContact O-N 3.4Å; N241-Q243 WeakPolarHBondContact OD1-CB 3.31Å; N241-Q243 PolarHBondContact OD1-N 3.08Å
244D91.9Very high91.9Very high27 Ų2742 Ų4214%0.14421%0.211CC..  trans-95.8109.6-178.117731.2000111.2N241 E246 S247 I248 K294 Y295N241-D244 HydrophobicContact CB-CB 3.93Å; N241-D244 PolarHBondContact O-N 2.53Å; N241-D244 VanDerWaalsContact O-N 3.07Å; D244-E246 PolarHBondContact O-N 3.37Å; D244-E246 PolarHBondContact OD1-N 3.47Å; D244-S247 WeakPolarHBondContact O-CA 2.8Å; D244-S247 VanDerWaalsContact O-CB 3.28Å; D244-S247 WeakPolarHBondContact O-CB 3.33Å; D244-S247 PolarHBondContact O-N 2.78Å; D244-S247 WeakPolarHBondContact OD2-CB 3.33Å; D244-S247 PolarHBondContact OD2-N 3.09Å; D244-I248 WeakPolarHBondContact O-CG1 3.12Å; D244-I248 PolarHBondContact O-N 2.87Å; D244-K294 IonicContact OD1-NZ 2.69Å; D244-K294 PolarHBondContact OD1-NZ 3.07Å; D244-K294 VanDerWaalsContact OD1-NZ 3.17Å; D244-K294 IonicContact OD2-NZ 3.18Å; D244-K294 PolarHBondContact OD2-NZ 3.41Å; D244-Y295 PolarHBondContact OD2-OH 2.8Å
245K90.6Very high92.8Very high119 Ų11938 Ų3852%0.51719%0.19SC..Hα-helixtrans-57.3-35.9-177.3-66-178.6-177.8178.50113F32 S247 I248 Q249 M274F32-K245 HydrophobicContact CE2-CB 4.22Å; K245-S247 VanDerWaalsContact C-N 3.35Å; K245-I248 PolarHBondContact O-N 3.35Å; K245-Q249 WeakPolarHBondContact O-CB 3.33Å; K245-Q249 PolarHBondContact O-N 3.26Å; K245-M274 HydrophobicContact CD-CG 4.37Å; K245-M274 HydrophobicContact CD-SD 4.17Å
246E90Very high93.2Very high94 Ų9437.6 Ų37.644%0.43919%0.188SC..Hα-helixtrans-65.6-41.7177.6-172.8-169.5-178.700110.9D244 Q249 R250 K294D244-E246 PolarHBondContact O-N 3.37Å; D244-E246 PolarHBondContact OD1-N 3.47Å; E246-Q249 PolarHBondContact O-N 3.44Å; E246-R250 WeakPolarHBondContact O-CG 3.2Å; E246-R250 PolarHBondContact O-N 3.45Å; E246-K294 IonicContact OE2-NZ 3.49Å; E246-K294 PolarHBondContact OE2-NZ 2.93Å; E246-K294 VanDerWaalsContact OE2-NZ 3.1Å
247S92.3Very high93.3Very high0 Ų043 Ų430%020%0.202CC..Hα-helixtrans-62.1-46.3175.2-1560000111.9P239 L240 N241 D244 K245 Q249 R250 V251P239-S247 PolarHBondContact O-OG 3.2Å; L240-S247 VanDerWaalsContact CA-OG 3.31Å; L240-S247 WeakPolarHBondContact CA-OG 3.24Å; N241-S247 PolarHBondContact N-OG 3.44Å; N241-S247 VanDerWaalsContact N-OG 3.11Å; N241-S247 WeakPolarHBondContact O-CB 3.32Å; D244-S247 WeakPolarHBondContact O-CA 2.8Å; D244-S247 VanDerWaalsContact O-CB 3.28Å; D244-S247 WeakPolarHBondContact O-CB 3.33Å; D244-S247 PolarHBondContact O-N 2.78Å; D244-S247 WeakPolarHBondContact OD2-CB 3.33Å; D244-S247 PolarHBondContact OD2-N 3.09Å; K245-S247 VanDerWaalsContact C-N 3.35Å; S247-Q249 VanDerWaalsContact C-N 3.3Å; S247-Q249 PolarHBondContact O-N 2.87Å; S247-R250 PolarHBondContact O-N 3.33Å; S247-R250 PolarHBondContact OG-NH2 3.4Å; S247-V251 WeakPolarHBondContact O-CG2 3.25Å; S247-V251 PolarHBondContact O-N 3.14Å; S247-V251 VanDerWaalsContact O-N 3.13Å
248I94.4Very high93.4Very high8 Ų844.3 Ų44.34%0.04122%0.215CC..Hα-helixtrans-61.5-42.1176.8-55.9171.2000110.3M29 F32 I242 D244 K245 V251 L252M29-I248 HydrophobicContact CE-CG2 3.58Å; M29-I248 HydrophobicContact SD-CG2 3.85Å; F32-I248 HydrophobicContact CB-CD1 4.42Å; F32-I248 HydrophobicContact CB-CG2 3.9Å; F32-I248 HydrophobicContact CD1-CB 4.47Å; F32-I248 HydrophobicContact CD1-CG2 3.56Å; F32-I248 HydrophobicContact CD2-CB 4.35Å; F32-I248 HydrophobicContact CD2-CD1 4.31Å; F32-I248 HydrophobicContact CD2-CG2 4.1Å; F32-I248 HydrophobicContact CE1-CG2 4.06Å; F32-I248 HydrophobicContact CG-CB 4.32Å; F32-I248 HydrophobicContact CG-CD1 4.49Å; F32-I248 HydrophobicContact CG-CG2 3.58Å; I242-I248 HydrophobicContact CD1-CD1 4.27Å; I242-I248 HydrophobicContact CD1-CG1 4.2Å; I242-I248 VanDerWaalsContact O-CD1 3.26Å; I242-I248 WeakPolarHBondContact O-CD1 3.37Å; D244-I248 WeakPolarHBondContact O-CG1 3.12Å; D244-I248 PolarHBondContact O-N 2.87Å; K245-I248 PolarHBondContact O-N 3.35Å; I248-V251 PolarHBondContact O-N 2.96Å; I248-L252 WeakPolarHBondContact O-CB 3.46Å; I248-L252 PolarHBondContact O-N 3.24Å
249Q92.5Very high93.3Very high19 Ų1942.8 Ų42.89%0.08921%0.207CC..Hα-helixtrans-62.2-45.3178.2178.8-179.5-14.900112.5F32 K245 E246 S247 V251 L252 Q253 L271 M275F32-Q249 HydrophobicContact CZ-CB 4Å; K245-Q249 WeakPolarHBondContact O-CB 3.33Å; K245-Q249 PolarHBondContact O-N 3.26Å; E246-Q249 PolarHBondContact O-N 3.44Å; S247-Q249 VanDerWaalsContact C-N 3.3Å; S247-Q249 PolarHBondContact O-N 2.87Å; Q249-V251 VanDerWaalsContact C-N 3.29Å; Q249-V251 PolarHBondContact O-N 3.28Å; Q249-L252 PolarHBondContact O-N 3.19Å; Q249-Q253 HydrophobicContact CG-CG 4.43Å; Q249-Q253 WeakPolarHBondContact O-CG 3.35Å; Q249-Q253 PolarHBondContact O-N 3.41Å; Q249-L271 HydrophobicContact CG-CD1 4.15Å; Q249-M275 VanDerWaalsContact CD-SD 3.54Å; Q249-M275 PolarHBondContact NE2-SD 3.35Å; Q249-M275 PolarHBondContact OE1-SD 3.11Å
250R93Very high93.2Very high52 Ų5244 Ų4420%0.19622%0.222CC..Hα-helixtrans-58.4-44.3176.5-76.2-173.6-77.4109.6-0.9111.1P239 E246 S247 Q253 A254P239-R250 PolarHBondContact O-NH1 3.07Å; E246-R250 WeakPolarHBondContact O-CG 3.2Å; E246-R250 PolarHBondContact O-N 3.45Å; S247-R250 PolarHBondContact O-N 3.33Å; S247-R250 PolarHBondContact OG-NH2 3.4Å; R250-Q253 PolarHBondContact O-N 2.87Å; R250-A254 PolarHBondContact O-N 3.49Å; R250-A254 VanDerWaalsContact O-N 3.17Å
251V95.8Very high92.9Very high0 Ų046.2 Ų46.20%023%0.23CC..Hα-helixtrans-61.9-48.7175.1171.10000111Y25 M29 L176 I238 L240 S247 I248 Q249 Q253 A254 V255Y25-V251 HydrophobicContact CE2-CG1 4.18Å; M29-V251 HydrophobicContact CE-CG1 4.14Å; L176-V251 HydrophobicContact CD1-CG1 3.77Å; L176-V251 HydrophobicContact CD1-CG2 4.17Å; L176-V251 HydrophobicContact CD2-CB 4.43Å; L176-V251 HydrophobicContact CD2-CG1 3.99Å; L176-V251 HydrophobicContact CD2-CG2 3.62Å; I238-V251 HydrophobicContact CB-CG2 4.48Å; I238-V251 HydrophobicContact CG2-CG2 3.83Å; L240-V251 HydrophobicContact CD1-CG2 4.13Å; S247-V251 WeakPolarHBondContact O-CG2 3.25Å; S247-V251 PolarHBondContact O-N 3.14Å; S247-V251 VanDerWaalsContact O-N 3.13Å; I248-V251 PolarHBondContact O-N 2.96Å; Q249-V251 VanDerWaalsContact C-N 3.29Å; Q249-V251 PolarHBondContact O-N 3.28Å; V251-Q253 VanDerWaalsContact C-N 3.33Å; V251-Q253 PolarHBondContact O-N 2.89Å; V251-A254 PolarHBondContact O-N 3.39Å; V251-V255 HydrophobicContact CG1-CG2 4.16Å; V251-V255 WeakPolarHBondContact O-CB 3.4Å; V251-V255 VanDerWaalsContact O-CG2 3.29Å; V251-V255 WeakPolarHBondContact O-CG2 3.46Å; V251-V255 PolarHBondContact O-N 2.77Å
252L95.3Very high92.1Very high4 Ų450.6 Ų50.62%0.02126%0.261CS..Hα-helixtrans-59.2-43.7-179.9-179.259.3000112M29 F32 L33 L36 I248 Q249 A254 V255 D256M29-L252 HydrophobicContact CE-CB 4.35Å; M29-L252 HydrophobicContact SD-CD1 4.34Å; F32-L252 HydrophobicContact CD1-CD2 4.15Å; F32-L252 HydrophobicContact CE1-CD2 3.8Å; L33-L252 HydrophobicContact CD2-CD1 3.65Å; L33-L252 HydrophobicContact CD2-CD2 3.65Å; L33-L252 HydrophobicContact CD2-CG 4.31Å; L36-L252 HydrophobicContact CD1-CD2 3.66Å; I248-L252 WeakPolarHBondContact O-CB 3.46Å; I248-L252 PolarHBondContact O-N 3.24Å; Q249-L252 PolarHBondContact O-N 3.19Å; L252-A254 VanDerWaalsContact C-N 3.34Å; L252-A254 PolarHBondContact O-N 3.11Å; L252-V255 PolarHBondContact O-N 3.19Å; L252-D256 WeakPolarHBondContact O-CB 3.34Å; L252-D256 PolarHBondContact O-N 2.89Å
253Q92.7Very high90.9Very high91 Ų9152.2 Ų52.243%0.42527%0.267SS..Hα-helixtrans-61-42.6177.4-74.4176.1-10.700112.1Q249 R250 V251 K257Q249-Q253 HydrophobicContact CG-CG 4.43Å; Q249-Q253 WeakPolarHBondContact O-CG 3.35Å; Q249-Q253 PolarHBondContact O-N 3.41Å; R250-Q253 PolarHBondContact O-N 2.87Å; V251-Q253 VanDerWaalsContact C-N 3.33Å; V251-Q253 PolarHBondContact O-N 2.89Å; Q253-K257 WeakPolarHBondContact O-CB 3.49Å; Q253-K257 PolarHBondContact O-N 3.23Å
254A94.8Very high89.8Confident24 Ų2446.3 Ų46.320%0.19825%0.249CC..Hα-helixtrans-65.7-43.1176.800000111.8I174 I238 R250 V251 L252 K257 A258I174-A254 HydrophobicContact CD1-CB 4.27Å; I238-A254 HydrophobicContact CD1-CB 3.45Å; I238-A254 VanDerWaalsContact CD1-CB 3.45Å; R250-A254 PolarHBondContact O-N 3.49Å; R250-A254 VanDerWaalsContact O-N 3.17Å; V251-A254 PolarHBondContact O-N 3.39Å; L252-A254 VanDerWaalsContact C-N 3.34Å; L252-A254 PolarHBondContact O-N 3.11Å; A254-K257 PolarHBondContact O-N 3.14Å; A254-A258 WeakPolarHBondContact O-CB 3.35Å; A254-A258 PolarHBondContact O-N 3.08Å
255V96.5Very high88.5Confident0 Ų048.7 Ų48.70%027%0.272CS..Hα-helixtrans-65.7-47.4179.5166.60000112.2Q12 Y106 T139 V141 I174 V251 L252 K257 A258 N259Q12-V255 HydrophobicContact CG-CG1 3.56Å; Y106-V255 WeakPolarHBondContact OH-CG1 3.26Å; T139-V255 HydrophobicContact CG2-CG1 4.35Å; T139-V255 HydrophobicContact CG2-CG2 4.39Å; T139-V255 PolarHBondContact OG1-O 2.98Å; V141-V255 HydrophobicContact CG2-CG2 3.75Å; I174-V255 HydrophobicContact CB-CG2 4.48Å; I174-V255 HydrophobicContact CG1-CG2 4.2Å; V251-V255 HydrophobicContact CG1-CG2 4.16Å; V251-V255 WeakPolarHBondContact O-CB 3.4Å; V251-V255 VanDerWaalsContact O-CG2 3.29Å; V251-V255 WeakPolarHBondContact O-CG2 3.46Å; V251-V255 PolarHBondContact O-N 2.77Å; L252-V255 PolarHBondContact O-N 3.19Å; V255-K257 VanDerWaalsContact C-N 3.31Å; V255-K257 PolarHBondContact O-N 2.95Å; V255-A258 WeakPolarHBondContact O-CB 3.43Å; V255-A258 PolarHBondContact O-N 3.02Å; V255-A258 VanDerWaalsContact O-N 3.1Å; V255-N259 PolarHBondContact O-N 3.35Å; V255-N259 PolarHBondContact O-ND2 3.31Å; V255-N259 PolarHBondContact O-OD1 3.32Å
256D93.8Very high87.5Confident1 Ų150.1 Ų50.11%0.00528%0.281CS..Hα-helixtrans-66.2-36.6179.3-76.9-8.9000111.1R38 Y106 L252 A258 N259 G260 Y261R38-D256 IonicContact CZ-OD2 2.67Å; R38-D256 IonicContact NH1-OD1 3.68Å; R38-D256 PolarHBondContact NH1-OD1 3.47Å; R38-D256 IonicContact NH1-OD2 3.24Å; R38-D256 PolarHBondContact NH1-OD2 2.94Å; R38-D256 IonicContact NH2-OD2 3.17Å; R38-D256 PolarHBondContact NH2-OD2 2.66Å; Y106-D256 WeakPolarHBondContact CE2-OD1 3.35Å; Y106-D256 PolarHBondContact OH-OD1 3.34Å; L252-D256 WeakPolarHBondContact O-CB 3.34Å; L252-D256 PolarHBondContact O-N 2.89Å; D256-A258 VanDerWaalsContact C-N 3.3Å; D256-A258 PolarHBondContact O-N 3.09Å; D256-N259 VanDerWaalsContact CA-OD1 3.32Å; D256-N259 WeakPolarHBondContact CA-OD1 3.28Å; D256-N259 PolarHBondContact O-OD1 2.91Å; D256-G260 CarbonylContact O-C 3.48Å; D256-G260 WeakPolarHBondContact O-CA 3.37Å; D256-G260 PolarHBondContact O-N 3.5Å; D256-Y261 PolarHBondContact O-N 2.85Å
257K92.8Very high86.9Confident183 Ų18346.7 Ų46.780%0.79626%0.264SS*.Hα-helixtrans-61.6-39.4170.8-177-179.4177.5-174.70111.7Q253 A254 V255Q253-K257 WeakPolarHBondContact O-CB 3.49Å; Q253-K257 PolarHBondContact O-N 3.23Å; A254-K257 PolarHBondContact O-N 3.14Å; V255-K257 VanDerWaalsContact C-N 3.31Å; V255-K257 PolarHBondContact O-N 2.95Å
258A93.7Very high86Confident37 Ų3751 Ų5131%0.30629%0.285SS..Hα-helixtrans-72.1-40.7-178.100000113.3T139 P172 I174 A254 V255 D256T139-A258 HydrophobicContact CG2-CB 3.89Å; P172-A258 HydrophobicContact CB-CB 4.11Å; I174-A258 HydrophobicContact CD1-CB 4.4Å; I174-A258 HydrophobicContact CG1-CB 4.5Å; A254-A258 WeakPolarHBondContact O-CB 3.35Å; A254-A258 PolarHBondContact O-N 3.08Å; V255-A258 WeakPolarHBondContact O-CB 3.43Å; V255-A258 PolarHBondContact O-N 3.02Å; V255-A258 VanDerWaalsContact O-N 3.1Å; D256-A258 VanDerWaalsContact C-N 3.3Å; D256-A258 PolarHBondContact O-N 3.09Å
259N93.2Very high85.1Confident9 Ų959.4 Ų59.45%0.04832%0.316CS..Hα-helixtrans-86.9-9.4176.46130.1000113.7F10 G11 R137 T139 V255 D256 Y261F10-N259 HydrophobicContact CD1-CB 4.38Å; G11-N259 PolarHBondContact O-ND2 3.28Å; R137-N259 HydrophobicContact CB-CB 4.42Å; T139-N259 VanDerWaalsContact OG1-CB 3.31Å; T139-N259 WeakPolarHBondContact OG1-CB 3.48Å; T139-N259 PolarHBondContact OG1-N 3.29Å; V255-N259 PolarHBondContact O-N 3.35Å; V255-N259 PolarHBondContact O-ND2 3.31Å; V255-N259 PolarHBondContact O-OD1 3.32Å; D256-N259 VanDerWaalsContact CA-OD1 3.32Å; D256-N259 WeakPolarHBondContact CA-OD1 3.28Å; D256-N259 PolarHBondContact O-OD1 2.91Å; N259-Y261 VanDerWaalsContact OD1-CB 3.23Å; N259-Y261 WeakPolarHBondContact OD1-CB 3.4Å; N259-Y261 PolarHBondContact OD1-N 3.36Å
260G90.1Very high84.5Confident37 Ų3760.1 Ų60.138%0.38132%0.323SS..THydrogen-bonded Turntrans79.123.4179.400000114.2D256D256-G260 CarbonylContact O-C 3.48Å; D256-G260 WeakPolarHBondContact O-CA 3.37Å; D256-G260 PolarHBondContact O-N 3.5Å
261Y89.1Confident83.8Confident50 Ų5058.6 Ų58.620%0.19632%0.319CS..  trans-69.6126.8172.6-173.6-86.7000110.5F10 Y106 D256 N259 E267F10-Y261 HydrophobicContact CB-CD2 3.83Å; F10-Y261 HydrophobicContact CD1-CD2 4.26Å; F10-Y261 AromaticContact CD2-CD2 3.68Å; F10-Y261 HydrophobicContact CD2-CD2 3.68Å; F10-Y261 HydrophobicContact CD2-CE2 4.28Å; F10-Y261 HydrophobicContact CE2-CD2 4.29Å; F10-Y261 AromaticContact CG-CD2 3.67Å; F10-Y261 HydrophobicContact CG-CD2 3.67Å; F10-Y261 HydrophobicContact CG-CG 4.48Å; Y106-Y261 HydrophobicContact CD2-CD2 4.11Å; Y106-Y261 HydrophobicContact CD2-CE2 4.12Å; Y106-Y261 HydrophobicContact CE2-CD2 4.18Å; Y106-Y261 HydrophobicContact CE2-CG 4.31Å; D256-Y261 PolarHBondContact O-N 2.85Å; N259-Y261 VanDerWaalsContact OD1-CB 3.23Å; N259-Y261 WeakPolarHBondContact OD1-CB 3.4Å; N259-Y261 PolarHBondContact OD1-N 3.36Å; Y261-E267 PolarHBondContact OH-OE1 3.35Å
262C76.7Confident83Confident110 Ų11064.2 Ų64.274%0.74335%0.345SS*.  trans-108.4130.9178.5-66.90000110.9
263F68.6Low82.2Confident73 Ų7367 Ų6732%0.3237%0.369SS..  trans-59.2140.4-178.9-63.1-84.9000113.2E267F263-E267 HydrophobicContact CD1-CB 4.24Å; F263-E267 WeakPolarHBondContact CD1-OE2 3.41Å
264G67.8Low81.5Confident35 Ų3564.4 Ų64.436%0.36136%0.357SS..  trans-78.9152.8161.400000111.7Q266 E267 Q268G264-Q266 PolarHBondContact O-N 2.61Å; G264-Q266 VanDerWaalsContact O-N 3.07Å; G264-E267 WeakPolarHBondContact O-CB 3.41Å; G264-E267 PolarHBondContact O-N 3.24Å; G264-Q268 PolarHBondContact O-N 3.5Å
265A64.5Low80.7Confident76 Ų7666.2 Ų66.263%0.62836%0.362SS*.Hα-helixtrans-57.3-26.3179.600000114.1R269A265-R269 WeakPolarHBondContact O-CG 3.44Å
266Q70.9Confident79.5Confident149 Ų14970.5 Ų70.570%0.69639%0.392SS*.Hα-helixtrans-74.5-40.9175.6-174.5174.8-2.500112.1G264 Q268 R269 S270G264-Q266 PolarHBondContact O-N 2.61Å; G264-Q266 VanDerWaalsContact O-N 3.07Å; Q266-Q268 VanDerWaalsContact C-N 3.32Å; Q266-Q268 PolarHBondContact O-N 3.43Å; Q266-R269 PolarHBondContact O-N 3.05Å; Q266-S270 PolarHBondContact O-N 2.9Å; Q266-S270 PolarHBondContact O-OG 3.02Å
267E75.9Confident78.2Confident22 Ų2274.8 Ų74.810%0.10343%0.428CS..Hα-helixtrans-62.8-41.4177.7-63.3-178.7-166.800111R38 Y261 F263 G264 R269 S270 L271R38-E267 HydrophobicContact CG-CG 4.31Å; R38-E267 WeakPolarHBondContact CG-OE1 3.43Å; R38-E267 IonicContact CZ-OE2 3.2Å; R38-E267 IonicContact NE-OE1 2.72Å; R38-E267 PolarHBondContact NE-OE1 3.41Å; R38-E267 IonicContact NE-OE2 3.18Å; R38-E267 PolarHBondContact NE-OE2 3.28Å; R38-E267 IonicContact NH2-OE2 2.62Å; R38-E267 PolarHBondContact NH2-OE2 2.95Å; Y261-E267 PolarHBondContact OH-OE1 3.35Å; F263-E267 HydrophobicContact CD1-CB 4.24Å; F263-E267 WeakPolarHBondContact CD1-OE2 3.41Å; G264-E267 WeakPolarHBondContact O-CB 3.41Å; G264-E267 PolarHBondContact O-N 3.24Å; E267-R269 VanDerWaalsContact C-N 3.33Å; E267-R269 PolarHBondContact O-N 2.92Å; E267-S270 PolarHBondContact O-N 3.21Å; E267-L271 WeakPolarHBondContact O-CB 3.32Å; E267-L271 PolarHBondContact O-N 2.9Å
268Q74.7Confident76.6Confident92 Ų9269.5 Ų69.543%0.4342%0.418SS..Hα-helixtrans-56.1-47.1176.5-162.792.58.900111.5G264 Q266 L271 E272G264-Q268 PolarHBondContact O-N 3.5Å; Q266-Q268 VanDerWaalsContact C-N 3.32Å; Q266-Q268 PolarHBondContact O-N 3.43Å; Q268-L271 WeakPolarHBondContact O-CB 3.47Å; Q268-L271 PolarHBondContact O-N 3.3Å; Q268-E272 WeakPolarHBondContact O-CG 3.31Å; Q268-E272 PolarHBondContact O-N 3.26Å
269R76Confident74.8Confident183 Ų18372.2 Ų72.269%0.69143%0.426SS*.Hα-helixtrans-66.7-41.7179.1-69.5176.9-174.9178.81.9112.3A265 Q266 E267 L271 E272 A273A265-R269 WeakPolarHBondContact O-CG 3.44Å; Q266-R269 PolarHBondContact O-N 3.05Å; E267-R269 VanDerWaalsContact C-N 3.33Å; E267-R269 PolarHBondContact O-N 2.92Å; R269-L271 VanDerWaalsContact C-N 3.3Å; R269-L271 PolarHBondContact O-N 3.48Å; R269-E272 PolarHBondContact O-N 2.92Å; R269-A273 WeakPolarHBondContact O-CB 3.19Å; R269-A273 PolarHBondContact O-N 3.34Å
270S79.2Confident72.5Confident35 Ų3574.7 Ų74.725%0.24545%0.453CS..Hα-helixtrans-61.8-41176-62.60000111.2L36 Q266 E267 M274L36-S270 WeakPolarHBondContact O-CB 3.45Å; L36-S270 PolarHBondContact O-OG 3.47Å; Q266-S270 PolarHBondContact O-N 2.9Å; Q266-S270 PolarHBondContact O-OG 3.02Å; E267-S270 PolarHBondContact O-N 3.21Å; S270-M274 WeakPolarHBondContact O-CB 3.23Å; S270-M274 PolarHBondContact O-N 3.49Å
271L78.8Confident70Confident19 Ų1977.9 Ų77.910%0.09948%0.476CS..Hα-helixtrans-62.8-50.6175.9-174.566.3000111.2F32 L36 Q249 E267 Q268 R269 A273 M274 M275F32-L271 HydrophobicContact CZ-CD1 4.5Å; L36-L271 HydrophobicContact CD2-CB 3.88Å; L36-L271 HydrophobicContact CD2-CD1 3.74Å; L36-L271 HydrophobicContact CD2-CG 4.44Å; Q249-L271 HydrophobicContact CG-CD1 4.15Å; E267-L271 WeakPolarHBondContact O-CB 3.32Å; E267-L271 PolarHBondContact O-N 2.9Å; Q268-L271 WeakPolarHBondContact O-CB 3.47Å; Q268-L271 PolarHBondContact O-N 3.3Å; R269-L271 VanDerWaalsContact C-N 3.3Å; R269-L271 PolarHBondContact O-N 3.48Å; L271-A273 VanDerWaalsContact C-N 3.33Å; L271-A273 PolarHBondContact O-N 3.29Å; L271-M274 PolarHBondContact O-N 3.27Å; L271-M275 HydrophobicContact CD1-CG 4.43Å; L271-M275 WeakPolarHBondContact O-CG 3.23Å; L271-M275 PolarHBondContact O-N 2.67Å
272E78.4Confident67.5Low119 Ų11982 Ų8256%0.55650%0.502SS*.Hα-helixtrans-57.4-44.3177.7-74.6169.8-174.600112Q268 R269 M275 S276Q268-E272 WeakPolarHBondContact O-CG 3.31Å; Q268-E272 PolarHBondContact O-N 3.26Å; R269-E272 PolarHBondContact O-N 2.92Å; E272-M275 PolarHBondContact O-N 3.17Å; E272-S276 WeakPolarHBondContact O-CB 3.25Å; E272-S276 PolarHBondContact O-N 3.21Å
273A78.5Confident65.6Low63 Ų6386.6 Ų86.652%0.52151%0.509SS..Hα-helixtrans-64.5-42.2177.200000112.2R269 L271 A277R269-A273 WeakPolarHBondContact O-CB 3.19Å; R269-A273 PolarHBondContact O-N 3.34Å; L271-A273 VanDerWaalsContact C-N 3.33Å; L271-A273 PolarHBondContact O-N 3.29Å; A273-A277 WeakPolarHBondContact O-CB 3.4Å; A273-A277 PolarHBondContact O-N 3.11Å; A273-A277 VanDerWaalsContact O-N 3.11Å
274M78Confident64.2Low36 Ų3691.1 Ų91.118%0.17753%0.531CS..Hα-helixtrans-65.9-42.7178.8-168.8-175.5-5700111.8F32 A35 L36 K245 S270 L271 A278F32-M274 HydrophobicContact CD2-SD 4.16Å; F32-M274 HydrophobicContact CE2-SD 3.66Å; F32-M274 HydrophobicContact CZ-SD 4.42Å; A35-M274 HydrophobicContact CB-CE 3.59Å; L36-M274 HydrophobicContact CD2-CE 3.94Å; L36-M274 HydrophobicContact CG-CE 4.38Å; K245-M274 HydrophobicContact CD-CG 4.37Å; K245-M274 HydrophobicContact CD-SD 4.17Å; S270-M274 WeakPolarHBondContact O-CB 3.23Å; S270-M274 PolarHBondContact O-N 3.49Å; L271-M274 PolarHBondContact O-N 3.27Å; M274-A278 PolarHBondContact O-N 3.1Å
275M77.4Confident62.6Low61 Ų6196.8 Ų96.830%0.355%0.546SS..Hα-helixtrans-68.4-43.7176.9-68.4-163.186.700111.8Q249 L271 E272 A277 A278 M279Q249-M275 VanDerWaalsContact CD-SD 3.54Å; Q249-M275 PolarHBondContact NE2-SD 3.35Å; Q249-M275 PolarHBondContact OE1-SD 3.11Å; L271-M275 HydrophobicContact CD1-CG 4.43Å; L271-M275 WeakPolarHBondContact O-CG 3.23Å; L271-M275 PolarHBondContact O-N 2.67Å; E272-M275 PolarHBondContact O-N 3.17Å; M275-A277 PolarHBondContact O-N 3.04Å; M275-A278 PolarHBondContact O-N 3.03Å; M275-M279 WeakPolarHBondContact O-CG 3.5Å; M275-M279 PolarHBondContact O-N 3.43Å
276S72.1Confident61.7Low91 Ų9198.8 Ų98.864%0.63656%0.555SS**Hα-helixtrans-62.5-30178.4-178.80000112.7E272E272-S276 WeakPolarHBondContact O-CB 3.25Å; E272-S276 PolarHBondContact O-N 3.21Å
277A65.6Low60.5Low90 Ų9093.2 Ų93.274%0.74453%0.533SS*.Hα-helixtrans-77.8-25.8175.400000112.8A273 M275A273-A277 WeakPolarHBondContact O-CB 3.4Å; A273-A277 PolarHBondContact O-N 3.11Å; A273-A277 VanDerWaalsContact O-N 3.11Å; M275-A277 PolarHBondContact O-N 3.04Å
278A60.4Low59.2Low72 Ų7294.6 Ų94.660%0.59554%0.543SS*.Hα-helixtrans-82.9-29.6176.800000112.2M274 M275 G280M274-A278 PolarHBondContact O-N 3.1Å; M275-A278 PolarHBondContact O-N 3.03Å; A278-G280 PolarHBondContact O-N 3.32Å
279M54.5Low58.1Low95 Ų9594.9 Ų94.947%0.46855%0.547SS..  trans-91.596.2-179.9-62.7-157.677.300111.4M275 D282M275-M279 WeakPolarHBondContact O-CG 3.5Å; M275-M279 PolarHBondContact O-N 3.43Å; M279-D282 WeakPolarHBondContact CE-O 3.45Å
280G46.5Very low57.4Low61 Ų6187.4 Ų87.463%0.62953%0.527SS*.  trans-57.4141.4144.800000108.2A278 D282A278-G280 PolarHBondContact O-N 3.32Å; G280-D282 PolarHBondContact O-N 2.94Å
281A37Very low56.6Low103 Ų10387 Ų8785%0.85152%0.522SS*.SBendtrans-53.194-169.700000113.4
282D35.7Very low56.1Low138 Ų13888.9 Ų88.974%0.73853%0.53SS*.  trans-144.8140.4165.3-87.4-42.4000110.7M279 G280M279-D282 WeakPolarHBondContact CE-O 3.45Å; G280-D282 PolarHBondContact O-N 2.94Å
283F37.3Very low55.6Low205 Ų20590.3 Ų90.390%0.89954%0.536SS*.  trans-61.4147.1-163.7-108.8-110.2000114.3F285F283-F285 PolarHBondContact O-N 2.93Å
284H39.6Very low55.4Low168 Ų16891.8 Ų91.878%0.77853%0.531SS*.  trans-55.3102.6167.6-92.2-80.6000111.6
285F34.6Very low55.2Low154 Ų15490.7 Ų90.768%0.67553%0.525SS*.  trans-118.678.5157.4-147.9-110.6000108.4F283 S287 L289F283-F285 PolarHBondContact O-N 2.93Å; F285-S287 WeakPolarHBondContact CD1-OG 3.19Å; F285-S287 WeakPolarHBondContact CE1-OG 3.45Å; F285-S287 PolarHBondContact O-N 3.27Å; F285-L289 HydrophobicContact CE1-CB 4.46Å
286S43.6Very low55Low119 Ų11989.4 Ų89.483%0.83252%0.519SS*.  trans-76.371.2168.21670000108.6
287S47Very low54.4Low32 Ų3288.6 Ų88.622%0.22452%0.518CS..SBendtrans-127.7151.6168.574.20000109.9F285 L289 G290F285-S287 WeakPolarHBondContact CD1-OG 3.19Å; F285-S287 WeakPolarHBondContact CE1-OG 3.45Å; F285-S287 PolarHBondContact O-N 3.27Å; S287-L289 PolarHBondContact O-N 3.15Å; S287-G290 PolarHBondContact O-N 3.27Å
288T49.3Very low53.7Low51 Ų5189.8 Ų89.831%0.31352%0.518SS..Hα-helixtrans-51.9-31170.8390000112.9D194 G290 I291 Q292D194-T288 WeakPolarHBondContact OD1-CB 2.83Å; D194-T288 PolarHBondContact OD2-OG1 3.44Å; T288-G290 VanDerWaalsContact C-N 3.29Å; T288-G290 PolarHBondContact O-N 2.97Å; T288-I291 WeakPolarHBondContact O-CA 2.92Å; T288-I291 WeakPolarHBondContact O-CB 3.36Å; T288-I291 PolarHBondContact O-N 2.98Å; T288-Q292 PolarHBondContact O-N 3.34Å
289L50.7Low53Low98 Ų9891 Ų9151%0.51352%0.523SS..Hα-helixtrans-55.6-40.9170.6-85.7113.6000113F285 S287 I291 Q292 E293F285-L289 HydrophobicContact CE1-CB 4.46Å; S287-L289 PolarHBondContact O-N 3.15Å; L289-I291 VanDerWaalsContact C-N 3.29Å; L289-I291 PolarHBondContact O-N 3.35Å; L289-Q292 PolarHBondContact O-N 3.31Å; L289-E293 WeakPolarHBondContact O-CG 3.48Å; L289-E293 PolarHBondContact O-N 3.31Å
290G60.5Low52.3Low26 Ų2694.4 Ų94.427%0.26854%0.543SS..Hα-helixtrans-67.2-30.9177.100000112.7S287 T288 K294S287-G290 PolarHBondContact O-N 3.27Å; T288-G290 VanDerWaalsContact C-N 3.29Å; T288-G290 PolarHBondContact O-N 2.97Å; G290-K294 WeakPolarHBondContact O-CB 3.29Å; G290-K294 PolarHBondContact O-N 3.31Å
291I62.7Low52Low27 Ų2796 Ų9614%0.13853%0.534CS..Hα-helixtrans-71.4-42173.9-63.6176.4000109.9L193 P239 T288 L289 K294 Y295L193-I291 HydrophobicContact CD1-CG2 4.33Å; P239-I291 HydrophobicContact CB-CG2 4.4Å; P239-I291 HydrophobicContact CG-CD1 4.02Å; P239-I291 HydrophobicContact CG-CG2 3.91Å; T288-I291 WeakPolarHBondContact O-CA 2.92Å; T288-I291 WeakPolarHBondContact O-CB 3.36Å; T288-I291 PolarHBondContact O-N 2.98Å; L289-I291 VanDerWaalsContact C-N 3.29Å; L289-I291 PolarHBondContact O-N 3.35Å; I291-K294 PolarHBondContact O-N 2.98Å; I291-Y295 HydrophobicContact CG2-CD2 3.68Å; I291-Y295 HydrophobicContact CG2-CE2 3.89Å; I291-Y295 VanDerWaalsContact O-CD2 3.23Å; I291-Y295 WeakPolarHBondContact O-CD2 3.49Å; I291-Y295 PolarHBondContact O-N 3.3Å; I291-Y295 VanDerWaalsContact O-N 3.11Å
292Q69.1Low52.1Low57 Ų5794 Ų9427%0.26651%0.513SS..Hα-helixtrans-60.9-49.8175.8-176.1166.74.600111.7T288 L289 K294 Y295 L296T288-Q292 PolarHBondContact O-N 3.34Å; L289-Q292 PolarHBondContact O-N 3.31Å; Q292-K294 PolarHBondContact O-N 3.39Å; Q292-Y295 PolarHBondContact O-N 2.82Å; Q292-L296 HydrophobicContact CG-CD1 4.16Å; Q292-L296 WeakPolarHBondContact O-CA 3.46Å; Q292-L296 WeakPolarHBondContact O-CB 3.25Å; Q292-L296 PolarHBondContact O-N 2.8Å
293E66.6Low52.7Low149 Ų14993.5 Ų93.570%0.69652%0.515SS*.Hα-helixtrans-62.5-30.4176.5-71.4178.8171.800112.8L289L289-E293 WeakPolarHBondContact O-CG 3.48Å; L289-E293 PolarHBondContact O-N 3.31Å
294K74.5Confident52.9Low95 Ų9591.2 Ų91.241%0.41351%0.507SS..Hα-helixtrans-72.5-33.6179.1-173.7176-168.5176.30113.1D244 E246 G290 I291 Q292D244-K294 IonicContact OD1-NZ 2.69Å; D244-K294 PolarHBondContact OD1-NZ 3.07Å; D244-K294 VanDerWaalsContact OD1-NZ 3.17Å; D244-K294 IonicContact OD2-NZ 3.18Å; D244-K294 PolarHBondContact OD2-NZ 3.41Å; E246-K294 IonicContact OE2-NZ 3.49Å; E246-K294 PolarHBondContact OE2-NZ 2.93Å; E246-K294 VanDerWaalsContact OE2-NZ 3.1Å; G290-K294 WeakPolarHBondContact O-CB 3.29Å; G290-K294 PolarHBondContact O-N 3.31Å; I291-K294 PolarHBondContact O-N 2.98Å; Q292-K294 PolarHBondContact O-N 3.39Å
295Y74.4Confident52.8Low13 Ų1388.1 Ų88.15%0.05149%0.493CS..Hα-helixtrans-114.4-9.2-173.3-66.9-67.3000114.8M180 E184 N241 D244 I291 Q292M180-Y295 HydrophobicContact CB-CD1 4.13Å; M180-Y295 HydrophobicContact CB-CE1 3.96Å; M180-Y295 HydrophobicContact CB-CE2 4.42Å; M180-Y295 HydrophobicContact CB-CG 4.45Å; M180-Y295 WeakPolarHBondContact O-CD1 3.41Å; E184-Y295 WeakPolarHBondContact CG-O 2.97Å; N241-Y295 HydrophobicContact CB-CE1 4.03Å; N241-Y295 WeakPolarHBondContact CB-OH 3.16Å; D244-Y295 PolarHBondContact OD2-OH 2.8Å; I291-Y295 HydrophobicContact CG2-CD2 3.68Å; I291-Y295 HydrophobicContact CG2-CE2 3.89Å; I291-Y295 VanDerWaalsContact O-CD2 3.23Å; I291-Y295 WeakPolarHBondContact O-CD2 3.49Å; I291-Y295 PolarHBondContact O-N 3.3Å; I291-Y295 VanDerWaalsContact O-N 3.11Å; Q292-Y295 PolarHBondContact O-N 2.82Å
296L72.4Confident53.2Low34 Ų3486.2 Ų86.218%0.17849%0.486CS..SBendtrans-131.8125.5177.8-65.3175.1000109.8I183 E184 L189 L193 Q292I183-L296 HydrophobicContact CG2-CD2 4.21Å; E184-L296 HydrophobicContact CG-CD2 4.43Å; E184-L296 VanDerWaalsContact OE1-CA 3.25Å; E184-L296 WeakPolarHBondContact OE1-CA 3.18Å; L189-L296 HydrophobicContact CD1-CD1 4.19Å; L189-L296 HydrophobicContact CD1-CD2 4.26Å; L193-L296 HydrophobicContact CD1-CD1 4.27Å; L193-L296 HydrophobicContact CD1-CG 4.38Å; L193-L296 HydrophobicContact CD2-CD1 4.28Å; L193-L296 HydrophobicContact CG-CD1 3.77Å; L193-L296 HydrophobicContact CG-CG 4.37Å; Q292-L296 HydrophobicContact CG-CD1 4.16Å; Q292-L296 WeakPolarHBondContact O-CA 3.46Å; Q292-L296 WeakPolarHBondContact O-CB 3.25Å; Q292-L296 PolarHBondContact O-N 2.8Å
297A60.9Low53.2Low74 Ų7484 Ų8461%0.61248%0.476SS*.  trans-54136.8170.900000111.2E184 S299E184-A297 PolarHBondContact OE1-N 3.39Å; A297-S299 PolarHBondContact O-N 3.25Å
298P50.3Low52.8Low114 Ų11490.6 Ų90.674%0.7451%0.505SS*.  trans-60.1124.8-179.921.5-30.7000110.5N300P298-N300 PolarHBondContact O-N 3.2Å
299S45.3Very low52.5Low99 Ų9995.9 Ų95.969%0.69253%0.526SS*.  trans-68.6113.5172.255.40000109A297 Q301A297-S299 PolarHBondContact O-N 3.25Å; S299-Q301 PolarHBondContact O-N 3.26Å
300N39.4Very low51.9Low166 Ų166101.7 Ų101.789%0.88856%0.556SS**SBendtrans-67.811.1174.2-97-10.5000114.2P298P298-N300 PolarHBondContact O-N 3.2Å
301Q40.9Very low51.4Low94 Ų94105.5 Ų105.544%0.43957%0.571SS.*SBendtrans-120124.9176.2-72.8-178.5-36.100108.1S299S299-Q301 PolarHBondContact O-N 3.26Å
302S38.6Very low50.8Low61 Ų61109.6 Ų109.643%0.42759%0.594SS.*  trans-66.7148.4172.854.30000109.4E304 Q305S302-E304 PolarHBondContact O-N 3.36Å; S302-Q305 WeakPolarHBondContact O-CB 3.48Å; S302-Q305 PolarHBondContact O-N 3.21Å
303V48.8Very low49.8Very low127 Ų127112.6 Ų112.677%0.7761%0.612SS**Hα-helixtrans-52.2-26.5176.6-1710000112A307V303-A307 PolarHBondContact O-N 2.95Å
304E41.2Very low48.8Very low158 Ų158110.4 Ų110.474%0.73861%0.607SS**Hα-helixtrans-68.3-26.9173.6-73.8-176.8147.400114.5S302S302-E304 PolarHBondContact O-N 3.36Å
305Q37.4Very low47.2Very low102 Ų102111.4 Ų111.448%0.47762%0.619SS.*Hα-helixtrans-81-30.8179.6-73.1-175.7-22.100112.8S302S302-Q305 WeakPolarHBondContact O-CB 3.48Å; S302-Q305 PolarHBondContact O-N 3.21Å
306E43.3Very low45.4Very low114 Ų114117.9 Ų117.953%0.53366%0.657SS.*Hα-helixtrans-74.8-34.6174.6-73.9-176.8158.300111.7M308 Q309E306-M308 PolarHBondContact O-N 2.81Å; E306-Q309 PolarHBondContact O-N 3Å
307A43.7Very low43.5Very low74 Ų74123.9 Ų123.961%0.61269%0.691SS**THydrogen-bonded Turntrans-67.6-17.7175.100000114.1V303V303-A307 PolarHBondContact O-N 2.95Å
308M39.8Very low42.2Very low169 Ų169127.8 Ų127.883%0.83370%0.697SS**THydrogen-bonded Turntrans-92.2-1.6176.9-84.1-167.6174.200114.2E306E306-M308 PolarHBondContact O-N 2.81Å
309Q41.3Very low41.5Very low163 Ų163128.9 Ų128.976%0.76269%0.693SS**  trans-112.56-179.9-68.6-170.44.400114.6E306E306-Q309 PolarHBondContact O-N 3Å
310L38.1Very low41.1Very low220 Ų220131.6 Ų131.6100%1.15269%0.693SS**  trans-102.20165.5-77.2163.3000110.3

Retrieved 310 of 310 residues in 139.9 ms (Link to these results)

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