A0A087XE15_POEFO Loading...

N(6)-L-threonylcarbamoyladenine synthase

AlphaFold DB , UniProt , Accession A0A087XE15, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 335 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M82.6Confident96.8Very high182 Ų18223.4 Ų23.490%0.89713%0.128SC*.  0128.90-58.3-179.1-15000106.7D21M1-D21 WeakPolarHBondContact CA-OD2 3.31Å; M1-D21 WeakPolarHBondContact CB-OD2 3.33Å; M1-D21 VanDerWaalsContact CG-OD2 3.23Å; M1-D21 WeakPolarHBondContact CG-OD2 3.5Å
2T95.8Very high96.8Very high38 Ų3823.3 Ų23.323%0.23313%0.127CC..  trans-114.1124.7-177.7-61.60000109.5V4 R20 D21 D72 F307T2-V4 HydrophobicContact CG2-CG2 4.08Å; T2-R20 WeakPolarHBondContact O-CA 3.28Å; T2-D21 PolarHBondContact N-OD1 3.34Å; T2-D21 PolarHBondContact O-N 3.43Å; T2-D72 VanDerWaalsContact CA-OD2 3.28Å; T2-D72 WeakPolarHBondContact CA-OD2 3.48Å; T2-D72 HydrophobicContact CG2-CB 4.09Å; T2-F307 HydrophobicContact CG2-CD1 3.66Å; T2-F307 HydrophobicContact CG2-CE1 3.92Å
3V98.4Very high96.8Very high11 Ų1124.2 Ų24.27%0.06713%0.129CC..EExtended strand (participates in β ladder)trans-106.1121.5177.9-173.70000110.2I18 I19 R20 L66 D70 I71 D72 C73V3-I18 HydrophobicContact CG1-CG2 3.59Å; V3-I19 CarbonylContact C-O 3.59Å; V3-I19 WeakPolarHBondContact CA-O 3.29Å; V3-R20 HydrophobicContact CG2-CB 4.17Å; V3-R20 HydrophobicContact CG2-CG 4.03Å; V3-L66 HydrophobicContact CG1-CD1 3.63Å; V3-L66 HydrophobicContact CG2-CD1 4.5Å; V3-D70 WeakPolarHBondContact CB-O 3.5Å; V3-I71 HydrophobicContact CG1-CD1 3.75Å; V3-D72 PolarHBondContact N-OD2 3.08Å; V3-D72 WeakPolarHBondContact O-CB 3.13Å; V3-D72 PolarHBondContact O-N 3.02Å; V3-C73 PolarHBondContact O-N 3.11Å
4V98.7Very high97Very high0 Ų022.5 Ų22.50%012%0.12CC..EExtended strand (participates in β ladder)trans-117.3132.3178-175.30000109.8T2 I18 I19 C73 A75 A300 W304T2-V4 HydrophobicContact CG2-CG2 4.08Å; V4-I18 WeakPolarHBondContact O-CA 3.5Å; V4-I19 PolarHBondContact N-O 2.99Å; V4-I19 PolarHBondContact O-N 3.3Å; V4-C73 WeakPolarHBondContact CA-O 3.44Å; V4-C73 HydrophobicContact CG2-CB 4.26Å; V4-A75 HydrophobicContact CG1-CB 3.91Å; V4-A300 HydrophobicContact CG1-CB 4.32Å; V4-A300 WeakPolarHBondContact CG1-O 3.4Å; V4-W304 HydrophobicContact CB-CB 4.32Å; V4-W304 HydrophobicContact CG2-CB 3.76Å; V4-W304 HydrophobicContact CG2-CG 4.33Å
5I98.9Very high97.1Very high0 Ų021.1 Ų21.10%011%0.113CC..EExtended strand (participates in β ladder)trans-101.2129.8169-172.8167.3000109.6F7 I16 G17 I18 L57 L61 I71 C73 V74 A75 W100I5-F7 HydrophobicContact CD1-CE2 4.09Å; I5-F7 HydrophobicContact CD1-CZ 4.19Å; I5-F7 HydrophobicContact CG1-CD2 4.47Å; I5-F7 HydrophobicContact CG1-CE2 3.88Å; I5-F7 HydrophobicContact CG1-CZ 4.43Å; I5-F7 HydrophobicContact CG2-CE2 4Å; I5-I16 HydrophobicContact CD1-CG2 3.79Å; I5-I16 HydrophobicContact CG1-CG2 3.7Å; I5-G17 CarbonylContact C-O 3.5Å; I5-G17 WeakPolarHBondContact CA-O 3.49Å; I5-I18 HydrophobicContact CB-CG1 4.16Å; I5-I18 HydrophobicContact CD1-CD1 4.2Å; I5-I18 HydrophobicContact CD1-CG1 4.16Å; I5-I18 HydrophobicContact CG1-CD1 4.45Å; I5-I18 HydrophobicContact CG1-CG1 3.87Å; I5-L57 HydrophobicContact CD1-CD1 3.54Å; I5-L61 HydrophobicContact CD1-CD2 4.45Å; I5-I71 HydrophobicContact CB-CD1 4.31Å; I5-I71 HydrophobicContact CB-CG2 4.28Å; I5-I71 HydrophobicContact CG2-CG2 3.62Å; I5-C73 PolarHBondContact N-O 3.44Å; I5-C73 VanDerWaalsContact N-O 3.09Å; I5-V74 HydrophobicContact CG2-CB 4.25Å; I5-V74 HydrophobicContact CG2-CG1 4.33Å; I5-V74 HydrophobicContact CG2-CG2 3.85Å; I5-A75 PolarHBondContact O-N 3.26Å; I5-W100 HydrophobicContact CD1-CH2 4.45Å; I5-W100 HydrophobicContact CG2-CZ3 4.24Å
6G98.9Very high97.2Very high0 Ų019.8 Ų19.80%011%0.106CC..EExtended strand (participates in β ladder)trans-116.8133.4-175.200000112I16 G17 A75 G296G6-I16 CarbonylContact O-C 3.06Å; G6-I16 VanDerWaalsContact O-CA 3.24Å; G6-I16 WeakPolarHBondContact O-CA 3.3Å; G6-G17 PolarHBondContact N-O 2.89Å; G6-G17 PolarHBondContact O-N 3.08Å; G6-A75 CarbonylContact C-O 3.13Å; G6-A75 VanDerWaalsContact CA-O 3.31Å; G6-A75 WeakPolarHBondContact CA-O 3.49Å; G6-G296 CarbonylContact C-O 3.6Å; G6-G296 WeakPolarHBondContact CA-O 3.43Å; G6-G296 WeakPolarHBondContact O-CA 3.41Å
7F98.9Very high97.3Very high0 Ų018.6 Ų18.60%010%0.099CC..EExtended strand (participates in β ladder)trans-114.5116.5-179.1-68.9-105.7000110.9I5 I16 L57 V74 A75 Y76 T77 V89 V92 A93 V96I5-F7 HydrophobicContact CD1-CE2 4.09Å; I5-F7 HydrophobicContact CD1-CZ 4.19Å; I5-F7 HydrophobicContact CG1-CD2 4.47Å; I5-F7 HydrophobicContact CG1-CE2 3.88Å; I5-F7 HydrophobicContact CG1-CZ 4.43Å; I5-F7 HydrophobicContact CG2-CE2 4Å; F7-I16 HydrophobicContact CD1-CD1 3.54Å; F7-I16 HydrophobicContact CD1-CG1 3.65Å; F7-I16 HydrophobicContact CE1-CD1 3.43Å; F7-I16 VanDerWaalsContact CE1-CD1 3.43Å; F7-I16 HydrophobicContact CE1-CG1 3.97Å; F7-I16 HydrophobicContact CE1-CG2 4.4Å; F7-I16 HydrophobicContact CG-CG1 4.24Å; F7-I16 HydrophobicContact CZ-CD1 4.36Å; F7-I16 HydrophobicContact CZ-CG2 4.44Å; F7-L57 HydrophobicContact CE1-CD1 3.99Å; F7-L57 HydrophobicContact CE1-CD2 4.42Å; F7-L57 HydrophobicContact CZ-CD1 3.61Å; F7-L57 HydrophobicContact CZ-CD2 4.38Å; F7-V74 HydrophobicContact CD2-CG1 4.02Å; F7-V74 HydrophobicContact CE2-CG1 3.77Å; F7-A75 WeakPolarHBondContact CD2-O 3.41Å; F7-A75 PolarHBondContact N-O 3.21Å; F7-Y76 WeakPolarHBondContact O-CA 3.48Å; F7-T77 PolarHBondContact O-N 3.4Å; F7-T77 PolarHBondContact O-OG1 2.97Å; F7-V89 HydrophobicContact CB-CG1 3.57Å; F7-V92 HydrophobicContact CD1-CG1 4.49Å; F7-V92 HydrophobicContact CE1-CG1 3.91Å; F7-A93 HydrophobicContact CB-CB 4.48Å; F7-A93 HydrophobicContact CD2-CB 4.21Å; F7-A93 HydrophobicContact CG-CB 4.25Å; F7-V96 HydrophobicContact CE2-CG2 4.09Å; F7-V96 HydrophobicContact CZ-CG2 3.83Å
8E98.9Very high97.4Very high0 Ų017.6 Ų17.60%09%0.094CC..EExtended strand (participates in β ladder)trans-119.8130179.7172.550.9-124.100111S10 I14 G15 T77 H109 D294 N295 M298 I299E8-S10 WeakPolarHBondContact OE1-CB 3.24Å; E8-S10 PolarHBondContact OE1-N 3.43Å; E8-S10 PolarHBondContact OE1-OG 3.44Å; E8-I14 WeakPolarHBondContact O-CA 3.49Å; E8-I14 VanDerWaalsContact O-CD1 3.23Å; E8-I14 WeakPolarHBondContact O-CD1 3.37Å; E8-G15 PolarHBondContact N-O 2.95Å; E8-G15 PolarHBondContact O-N 2.97Å; E8-T77 WeakPolarHBondContact OE2-CG2 3.5Å; E8-T77 PolarHBondContact OE2-OG1 2.97Å; E8-H109 IonicContact OE1-CE1 3.44Å; E8-H109 IonicContact OE1-ND1 3.65Å; E8-H109 IonicContact OE2-CE1 3.75Å; E8-H109 IonicContact OE2-ND1 3.81Å; E8-H109 PolarHBondContact OE2-ND1 3.2Å; E8-D294 HydrophobicContact CG-CB 4Å; E8-N295 WeakPolarHBondContact CB-O 3.32Å; E8-M298 HydrophobicContact CG-CE 3.76Å; E8-M298 VanDerWaalsContact OE2-CE 3.26Å; E8-M298 WeakPolarHBondContact OE2-CE 3.29Å; E8-I299 HydrophobicContact CB-CG1 3.81Å; E8-I299 HydrophobicContact CG-CG1 4.46Å
9G98.3Very high97.4Very high0 Ų016.6 Ų16.60%09%0.089CC..  trans-170.147.2172.400000112.8K13 P85G9-K13 WeakPolarHBondContact CA-O 3.34Å; G9-P85 CarbonylContact O-C 3.57Å; G9-P85 WeakPolarHBondContact O-CB 3.3Å
10S98.3Very high97.5Very high6 Ų619.7 Ų19.74%0.04210%0.099CC..SBendtrans-74.6-26.5178.463.30000112.9E8 M82 H109E8-S10 WeakPolarHBondContact OE1-CB 3.24Å; E8-S10 PolarHBondContact OE1-N 3.43Å; E8-S10 PolarHBondContact OE1-OG 3.44Å; S10-M82 PolarHBondContact O-N 3.42Å; S10-H109 PolarHBondContact OG-CE1 3.23Å; S10-H109 PolarHBondContact OG-ND1 2.9Å
11A96.8Very high97.2Very high20 Ų2022.1 Ų22.117%0.16511%0.112CC..SBendtrans-122.8-143.8-176.200000111.5T45 H49 M82A11-T45 WeakPolarHBondContact O-CG2 3.32Å; A11-H49 PolarHBondContact O-NE2 3.31Å; A11-H49 VanDerWaalsContact O-NE2 3.09Å; A11-M82 WeakPolarHBondContact O-CE 3.49Å
12N96.9Very high97.4Very high22 Ų2214.3 Ų14.312%0.1188%0.079CC..SBendtrans-86.1-1.8178.772.5-48.8000114.7Y32 F40 T45N12-Y32 PolarHBondContact ND2-O 3.25Å; N12-Y32 WeakPolarHBondContact O-CB 3.26Å; N12-Y32 PolarHBondContact O-N 3.43Å; N12-F40 HydrophobicContact CB-CB 4.32Å; N12-F40 HydrophobicContact CB-CD1 3.61Å; N12-F40 HydrophobicContact CB-CD2 3.87Å; N12-F40 HydrophobicContact CB-CE1 3.79Å; N12-F40 HydrophobicContact CB-CE2 4.04Å; N12-F40 HydrophobicContact CB-CG 3.65Å; N12-F40 HydrophobicContact CB-CZ 4Å; N12-T45 HydrophobicContact CB-CG2 4.45Å
13K97.6Very high97.5Very high36 Ų3618.5 Ų18.516%0.15710%0.096CC..EExtended strand (participates in β ladder)trans-102.6141.1174-71.577.361.2-167.60109G9 R29 R30 T31 I293 D294G9-K13 WeakPolarHBondContact CA-O 3.34Å; K13-R29 HydrophobicContact CB-CG 4.4Å; K13-R30 WeakPolarHBondContact CA-O 3.33Å; K13-T31 HydrophobicContact CD-CG2 4.17Å; K13-T31 HydrophobicContact CG-CG2 4.21Å; K13-I293 HydrophobicContact CD-CG2 4.08Å; K13-I293 HydrophobicContact CG-CG2 3.93Å; K13-D294 HydrophobicContact CB-CB 4.31Å; K13-D294 WeakPolarHBondContact CE-OD2 3.34Å; K13-D294 IonicContact NZ-OD2 2.78Å; K13-D294 PolarHBondContact NZ-OD2 3.19Å
14I98.8Very high97.5Very high0 Ų020 Ų200%011%0.105CC..EExtended strand (participates in β ladder)trans-121.7125171.317659.2000108E8 R29 R30 V52 I53 V89E8-I14 WeakPolarHBondContact O-CA 3.49Å; E8-I14 VanDerWaalsContact O-CD1 3.23Å; E8-I14 WeakPolarHBondContact O-CD1 3.37Å; I14-R29 CarbonylContact O-C 3.58Å; I14-R29 WeakPolarHBondContact O-CA 3.49Å; I14-R30 HydrophobicContact CG2-CB 3.97Å; I14-R30 PolarHBondContact N-O 2.9Å; I14-R30 PolarHBondContact O-N 2.82Å; I14-V52 HydrophobicContact CG2-CG2 3.57Å; I14-I53 HydrophobicContact CD1-CD1 3.98Å; I14-I53 HydrophobicContact CD1-CG1 4.09Å; I14-I53 HydrophobicContact CG1-CB 4.44Å; I14-I53 HydrophobicContact CG1-CG1 4.46Å; I14-V89 HydrophobicContact CD1-CG2 3.83Å
15G98.7Very high97.5Very high1 Ų121.6 Ų21.61%0.0111%0.113CC..EExtended strand (participates in β ladder)trans-143.4145.9-178.400000111.6E8 P28E8-G15 PolarHBondContact N-O 2.95Å; E8-G15 PolarHBondContact O-N 2.97Å; G15-P28 WeakPolarHBondContact CA-O 3.24Å
16I98.9Very high97.4Very high0 Ų021.9 Ų21.90%012%0.115CC..EExtended strand (participates in β ladder)trans-127.8127.8172.1-61.4170.1000106.6I5 G6 F7 P28 I53 V56 L57 A60I5-I16 HydrophobicContact CD1-CG2 3.79Å; I5-I16 HydrophobicContact CG1-CG2 3.7Å; G6-I16 CarbonylContact O-C 3.06Å; G6-I16 VanDerWaalsContact O-CA 3.24Å; G6-I16 WeakPolarHBondContact O-CA 3.3Å; F7-I16 HydrophobicContact CD1-CD1 3.54Å; F7-I16 HydrophobicContact CD1-CG1 3.65Å; F7-I16 HydrophobicContact CE1-CD1 3.43Å; F7-I16 VanDerWaalsContact CE1-CD1 3.43Å; F7-I16 HydrophobicContact CE1-CG1 3.97Å; F7-I16 HydrophobicContact CE1-CG2 4.4Å; F7-I16 HydrophobicContact CG-CG1 4.24Å; F7-I16 HydrophobicContact CZ-CD1 4.36Å; F7-I16 HydrophobicContact CZ-CG2 4.44Å; I16-P28 PolarHBondContact N-O 2.98Å; I16-P28 WeakPolarHBondContact O-CD 3.44Å; I16-P28 WeakPolarHBondContact O-CG 3.31Å; I16-I53 HydrophobicContact CD1-CG1 4.07Å; I16-I53 WeakPolarHBondContact CD1-O 3.29Å; I16-V56 HydrophobicContact CB-CG1 3.99Å; I16-V56 HydrophobicContact CD1-CB 4.29Å; I16-V56 HydrophobicContact CD1-CG1 4.19Å; I16-V56 HydrophobicContact CG1-CG1 4.03Å; I16-L57 VanDerWaalsContact CD1-CA 3.47Å; I16-L57 HydrophobicContact CD1-CB 3.58Å; I16-L57 HydrophobicContact CD1-CD1 4.28Å; I16-L57 HydrophobicContact CG2-CD1 4.24Å; I16-A60 HydrophobicContact CB-CB 4.12Å; I16-A60 HydrophobicContact CG2-CB 3.76Å
17G98.8Very high97.4Very high0 Ų023.5 Ų23.50%012%0.124CC..EExtended strand (participates in β ladder)trans-132.1156.5-178.300000111.4I5 G6 S26I5-G17 CarbonylContact C-O 3.5Å; I5-G17 WeakPolarHBondContact CA-O 3.49Å; G6-G17 PolarHBondContact N-O 2.89Å; G6-G17 PolarHBondContact O-N 3.08Å; G17-S26 CarbonylContact C-O 3.53Å; G17-S26 WeakPolarHBondContact CA-O 3.11Å
18I98.8Very high97.4Very high0 Ų023.9 Ų23.90%013%0.126CC..EExtended strand (participates in β ladder)trans-127126.9-178.9-58.1177.3000108.6V3 V4 I5 L25 S26 A60 L61 A64 L66 I71V3-I18 HydrophobicContact CG1-CG2 3.59Å; V4-I18 WeakPolarHBondContact O-CA 3.5Å; I5-I18 HydrophobicContact CB-CG1 4.16Å; I5-I18 HydrophobicContact CD1-CD1 4.2Å; I5-I18 HydrophobicContact CD1-CG1 4.16Å; I5-I18 HydrophobicContact CG1-CD1 4.45Å; I5-I18 HydrophobicContact CG1-CG1 3.87Å; I18-L25 HydrophobicContact CB-CB 4.44Å; I18-L25 HydrophobicContact CG2-CB 4.44Å; I18-L25 HydrophobicContact CG2-CD1 3.95Å; I18-L25 PolarHBondContact O-N 2.59Å; I18-S26 PolarHBondContact N-O 3.34Å; I18-S26 PolarHBondContact O-N 3Å; I18-A60 HydrophobicContact CD1-CB 4.32Å; I18-A60 WeakPolarHBondContact CD1-O 3.18Å; I18-L61 HydrophobicContact CD1-CD2 4Å; I18-A64 HydrophobicContact CB-CB 4.34Å; I18-A64 HydrophobicContact CD1-CB 3.74Å; I18-A64 HydrophobicContact CG2-CB 4.46Å; I18-L66 HydrophobicContact CG2-CD1 4.1Å; I18-I71 HydrophobicContact CD1-CD1 4.37Å; I18-I71 HydrophobicContact CG2-CD1 4.39Å
19I98.4Very high97.4Very high0 Ų026.9 Ų26.90%014%0.138CC..EExtended strand (participates in β ladder)trans-113.6139.9175.6-66-69.5000109.1V3 V4 E23 V24 M116 A297 A300 Q301V3-I19 CarbonylContact C-O 3.59Å; V3-I19 WeakPolarHBondContact CA-O 3.29Å; V4-I19 PolarHBondContact N-O 2.99Å; V4-I19 PolarHBondContact O-N 3.3Å; I19-E23 CarbonylContact C-O 3.56Å; I19-E23 VanDerWaalsContact CA-O 3.26Å; I19-E23 WeakPolarHBondContact CA-O 3.32Å; I19-V24 HydrophobicContact CD1-CB 3.94Å; I19-V24 HydrophobicContact CD1-CG1 4.35Å; I19-V24 HydrophobicContact CD1-CG2 3.46Å; I19-V24 VanDerWaalsContact CD1-CG2 3.46Å; I19-M116 HydrophobicContact CD1-CE 4.26Å; I19-A297 HydrophobicContact CD1-CB 4.37Å; I19-A300 HydrophobicContact CB-CB 4.05Å; I19-A300 HydrophobicContact CG1-CB 3.65Å; I19-Q301 HydrophobicContact CG1-CB 4.31Å
20R97.9Very high97.3Very high77 Ų7731.7 Ų31.729%0.29116%0.156SC..EExtended strand (participates in β ladder)trans-127.9113.7167.9175.3179.54.2-173-5.4109T2 V3 G22 E23 L25T2-R20 WeakPolarHBondContact O-CA 3.28Å; V3-R20 HydrophobicContact CG2-CB 4.17Å; V3-R20 HydrophobicContact CG2-CG 4.03Å; R20-G22 PolarHBondContact O-N 3.39Å; R20-G22 VanDerWaalsContact O-N 3.13Å; R20-E23 PolarHBondContact N-O 3.32Å; R20-E23 WeakPolarHBondContact O-CB 3.13Å; R20-E23 PolarHBondContact O-N 2.69Å; R20-L25 HydrophobicContact CB-CD1 3.81Å; R20-L25 HydrophobicContact CB-CD2 4.32Å; R20-L25 HydrophobicContact CB-CG 4.1Å
21D92.6Very high97.3Very high71 Ų7133.9 Ų33.938%0.3817%0.169SC..THydrogen-bonded Turntrans48.839.7177.9-60.7-25.6000114.8M1 T2 W304M1-D21 WeakPolarHBondContact CA-OD2 3.31Å; M1-D21 WeakPolarHBondContact CB-OD2 3.33Å; M1-D21 VanDerWaalsContact CG-OD2 3.23Å; M1-D21 WeakPolarHBondContact CG-OD2 3.5Å; T2-D21 PolarHBondContact N-OD1 3.34Å; T2-D21 PolarHBondContact O-N 3.43Å; D21-W304 VanDerWaalsContact CA-CZ2 3.42Å; D21-W304 HydrophobicContact CB-CZ2 4.21Å
22G87Confident97.4Very high19 Ų1935.7 Ų35.720%0.19617%0.172CC..THydrogen-bonded Turntrans85.20.6-177.100000115.3R20 L119R20-G22 PolarHBondContact O-N 3.39Å; R20-G22 VanDerWaalsContact O-N 3.13Å; G22-L119 WeakPolarHBondContact O-CD2 3.43Å
23E96.8Very high97.3Very high125 Ų12538.1 Ų38.158%0.58418%0.184SC*.EExtended strand (participates in β ladder)trans-95.8129.2172.7-171.1-176.2178.900111.4I19 R20 L25I19-E23 CarbonylContact C-O 3.56Å; I19-E23 VanDerWaalsContact CA-O 3.26Å; I19-E23 WeakPolarHBondContact CA-O 3.32Å; R20-E23 PolarHBondContact N-O 3.32Å; R20-E23 WeakPolarHBondContact O-CB 3.13Å; R20-E23 PolarHBondContact O-N 2.69Å; E23-L25 HydrophobicContact CG-CD2 4.3Å; E23-L25 PolarHBondContact O-N 3.21Å
24V98.2Very high97.1Very high44 Ų4436.9 Ų36.927%0.26718%0.18SC..EExtended strand (participates in β ladder)trans-79.5107.6175-1740000109.5I19 N27 F291 A297I19-V24 HydrophobicContact CD1-CB 3.94Å; I19-V24 HydrophobicContact CD1-CG1 4.35Å; I19-V24 HydrophobicContact CD1-CG2 3.46Å; I19-V24 VanDerWaalsContact CD1-CG2 3.46Å; V24-N27 HydrophobicContact CG1-CB 4.22Å; V24-F291 HydrophobicContact CG1-CE1 4.34Å; V24-F291 HydrophobicContact CG2-CE1 3.83Å; V24-F291 HydrophobicContact CG2-CZ 4.01Å; V24-A297 HydrophobicContact CG1-CB 4.06Å
25L98.4Very high96.8Very high33 Ų3340.4 Ų40.417%0.17320%0.203CC..EExtended strand (participates in β ladder)trans-85.9-31.6178.4-55.4-179.3000113I18 R20 E23 A64 L66I18-L25 HydrophobicContact CB-CB 4.44Å; I18-L25 HydrophobicContact CG2-CB 4.44Å; I18-L25 HydrophobicContact CG2-CD1 3.95Å; I18-L25 PolarHBondContact O-N 2.59Å; R20-L25 HydrophobicContact CB-CD1 3.81Å; R20-L25 HydrophobicContact CB-CD2 4.32Å; R20-L25 HydrophobicContact CB-CG 4.1Å; E23-L25 HydrophobicContact CG-CD2 4.3Å; E23-L25 PolarHBondContact O-N 3.21Å; L25-A64 HydrophobicContact CB-CB 3.84Å; L25-A64 HydrophobicContact CD1-CB 4.3Å; L25-L66 HydrophobicContact CD1-CD1 3.75Å
26S98.6Very high96.4Very high5 Ų544 Ų444%0.03523%0.226CC..EExtended strand (participates in β ladder)trans-158.5148.4-178.2-179.40000111G17 I18 P28 A60 Q63G17-S26 CarbonylContact C-O 3.53Å; G17-S26 WeakPolarHBondContact CA-O 3.11Å; I18-S26 PolarHBondContact N-O 3.34Å; I18-S26 PolarHBondContact O-N 3Å; S26-P28 WeakPolarHBondContact OG-CD 3.29Å; S26-A60 VanDerWaalsContact CB-O 3.29Å; S26-A60 WeakPolarHBondContact CB-O 3.3Å; S26-A60 VanDerWaalsContact OG-CA 3.31Å; S26-A60 WeakPolarHBondContact OG-CA 3.39Å; S26-A60 PolarHBondContact OG-O 2.75Å; S26-Q63 WeakPolarHBondContact OG-CB 3.29Å; S26-Q63 PolarHBondContact OG-OE1 2.93Å
27N98.4Very high95.8Very high35 Ų3545.6 Ų45.619%0.18724%0.242CC..  trans-15650178.1-158.419.9000114.2V24 N295 G296 A297V24-N27 HydrophobicContact CG1-CB 4.22Å; N27-N295 PolarHBondContact ND2-OD1 3.35Å; N27-G296 PolarHBondContact OD1-N 2.96Å; N27-A297 HydrophobicContact CB-CB 4.18Å; N27-A297 WeakPolarHBondContact OD1-CB 3.41Å; N27-A297 PolarHBondContact OD1-N 3.49Å; N27-A297 VanDerWaalsContact OD1-N 3.12Å
28P98.6Very high95.3Very high8 Ų851 Ų515%0.05227%0.267CS..  trans-62.9141.9176.128.1-37.7000111.8G15 I16 S26 V56 E59 A60G15-P28 WeakPolarHBondContact CA-O 3.24Å; I16-P28 PolarHBondContact N-O 2.98Å; I16-P28 WeakPolarHBondContact O-CD 3.44Å; I16-P28 WeakPolarHBondContact O-CG 3.31Å; S26-P28 WeakPolarHBondContact OG-CD 3.29Å; P28-V56 HydrophobicContact CB-CG1 4.15Å; P28-V56 HydrophobicContact CG-CG1 3.98Å; P28-V56 WeakPolarHBondContact O-CG1 3.41Å; P28-E59 HydrophobicContact CB-CB 4.18Å; P28-E59 HydrophobicContact CG-CB 4.12Å; P28-A60 HydrophobicContact CG-CB 3.73Å
29R98Very high94.9Very high63 Ų6352.2 Ų52.224%0.23828%0.28CS..EExtended strand (participates in β ladder)trans-143.5149.3-177.7-179.7171.765.5-145.1-1.9111.4K13 I14 E289 R290 I293 D294K13-R29 HydrophobicContact CB-CG 4.4Å; I14-R29 CarbonylContact O-C 3.58Å; I14-R29 WeakPolarHBondContact O-CA 3.49Å; R29-E289 PolarHBondContact NH2-O 3.37Å; R29-R290 PolarHBondContact NH1-O 3.44Å; R29-I293 PolarHBondContact NH1-O 2.93Å; R29-D294 WeakPolarHBondContact CD-O 3.45Å; R29-D294 PolarHBondContact NH1-O 3.01Å
30R98.2Very high94.6Very high100 Ų10054.9 Ų54.938%0.37729%0.291SS..EExtended strand (participates in β ladder)trans-129.7146168.2-59.8-66.3178.5-93.2-5.6110.1K13 I14 V52 V56 E59K13-R30 WeakPolarHBondContact CA-O 3.33Å; I14-R30 HydrophobicContact CG2-CB 3.97Å; I14-R30 PolarHBondContact N-O 2.9Å; I14-R30 PolarHBondContact O-N 2.82Å; R30-V52 HydrophobicContact CB-CG2 4.43Å; R30-V56 HydrophobicContact CG-CG2 3.96Å; R30-E59 IonicContact CZ-OE1 3Å; R30-E59 IonicContact CZ-OE2 3.76Å; R30-E59 IonicContact NH1-OE2 2.82Å; R30-E59 IonicContact NH2-OE1 3.57Å; R30-E59 PolarHBondContact NH2-OE1 3.39Å; R30-E59 IonicContact NH2-OE2 3.94Å; R30-E59 PolarHBondContact NH2-OE2 3.05Å
31T97.5Very high94.4Very high53 Ų5356.4 Ų56.433%0.32530%0.303SS..EExtended strand (participates in β ladder)trans-114.3129.9179-55.90000109.4K13 I33K13-T31 HydrophobicContact CD-CG2 4.17Å; K13-T31 HydrophobicContact CG-CG2 4.21Å; T31-I33 HydrophobicContact CG2-CG1 3.93Å; T31-I33 PolarHBondContact O-N 2.8Å
32Y97.6Very high94.6Very high57 Ų5755.6 Ų55.622%0.22430%0.302CS..  trans-79.5112.5166.5178.7-130.4000109.3N12 T34 F40 D44 T45 H48N12-Y32 PolarHBondContact ND2-O 3.25Å; N12-Y32 WeakPolarHBondContact O-CB 3.26Å; N12-Y32 PolarHBondContact O-N 3.43Å; Y32-T34 HydrophobicContact CD1-CG2 4.4Å; Y32-T34 HydrophobicContact CE1-CG2 3.7Å; Y32-F40 HydrophobicContact CD1-CB 3.72Å; Y32-F40 HydrophobicContact CE1-CB 3.76Å; Y32-D44 HydrophobicContact CE1-CB 4.18Å; Y32-T45 HydrophobicContact CD1-CG2 4.48Å; Y32-H48 HydrophobicContact CD2-CB 4.04Å; Y32-H48 HydrophobicContact CG-CB 4.16Å
33I95.3Very high95Very high74 Ų7458 Ų5838%0.37932%0.315SS..  trans-106.3124-179.6-58.4175000108.5T31 N172 D173T31-I33 HydrophobicContact CG2-CG1 3.93Å; T31-I33 PolarHBondContact O-N 2.8Å; I33-N172 HydrophobicContact CG2-CB 4.11Å; I33-D173 HydrophobicContact CD1-CB 4.22Å; I33-D173 WeakPolarHBondContact CD1-OD1 3.31Å; I33-D173 HydrophobicContact CG2-CB 4.13Å
34T93.5Very high95.1Very high10 Ų1054.2 Ų54.26%0.06130%0.3CS..PPolyproline II helixtrans-93.5157.9175.248.20000111.3Y32 Q38 F40 N172Y32-T34 HydrophobicContact CD1-CG2 4.4Å; Y32-T34 HydrophobicContact CE1-CG2 3.7Å; T34-Q38 PolarHBondContact OG1-O 3.17Å; T34-F40 HydrophobicContact CG2-CB 4Å; T34-N172 WeakPolarHBondContact O-CB 3.43Å; T34-N172 PolarHBondContact O-ND2 3.42Å; T34-N172 PolarHBondContact OG1-ND2 2.89Å
35P93.2Very high95.1Very high73 Ų7352.1 Ų52.147%0.47429%0.287SS..PPolyproline II helixtrans-55.5151.3172.8-24.934.8000112.6G37 Q38 N172P35-G37 PolarHBondContact O-N 3.34Å; P35-Q38 WeakPolarHBondContact O-CB 3.48Å; P35-Q38 PolarHBondContact O-N 2.97Å; P35-Q38 VanDerWaalsContact O-N 3.1Å; P35-N172 PolarHBondContact O-ND2 3.16Å
36P89.7Confident95.1Very high78 Ų7850.6 Ų50.651%0.50628%0.279SS..THydrogen-bonded Turntrans-51.2138.8176.8-25.433.3000112.2Q38P36-Q38 VanDerWaalsContact C-N 3.3Å; P36-Q38 PolarHBondContact O-N 3.4Å
37G86.3Confident95.1Very high33 Ų3357.6 Ų57.634%0.3431%0.305SS..THydrogen-bonded Turntrans83.7-7.4-17700000115.4P35P35-G37 PolarHBondContact O-N 3.34Å
38Q89.3Confident95.1Very high113 Ų11357.8 Ų57.853%0.52830%0.304SS..  trans-111141.6178.5-58.2-176.116.600111.9T34 P35 P36 N172T34-Q38 PolarHBondContact OG1-O 3.17Å; P35-Q38 WeakPolarHBondContact O-CB 3.48Å; P35-Q38 PolarHBondContact O-N 2.97Å; P35-Q38 VanDerWaalsContact O-N 3.1Å; P36-Q38 VanDerWaalsContact C-N 3.3Å; P36-Q38 PolarHBondContact O-N 3.4Å; Q38-N172 PolarHBondContact O-ND2 2.92Å
39G89.8Confident95.1Very high25 Ų2557.4 Ų57.426%0.25830%0.302SS..PPolyproline II helixtrans-91.8157.7168.700000111.6
40F91.6Very high95.1Very high56 Ų5661 Ų6125%0.24632%0.316CS..PPolyproline II helixtrans-75.7132.2175.650-96.1000111.5N12 Y32 T34 M82N12-F40 HydrophobicContact CB-CB 4.32Å; N12-F40 HydrophobicContact CB-CD1 3.61Å; N12-F40 HydrophobicContact CB-CD2 3.87Å; N12-F40 HydrophobicContact CB-CE1 3.79Å; N12-F40 HydrophobicContact CB-CE2 4.04Å; N12-F40 HydrophobicContact CB-CG 3.65Å; N12-F40 HydrophobicContact CB-CZ 4Å; Y32-F40 HydrophobicContact CD1-CB 3.72Å; Y32-F40 HydrophobicContact CE1-CB 3.76Å; T34-F40 HydrophobicContact CG2-CB 4Å; F40-M82 HydrophobicContact CD2-CE 3.58Å; F40-M82 HydrophobicContact CD2-SD 4.04Å; F40-M82 HydrophobicContact CE2-CE 3.52Å; F40-M82 HydrophobicContact CE2-SD 4.05Å
41M95.1Very high95.1Very high109 Ų10959.9 Ų59.954%0.53733%0.328SS..PPolyproline II helixtrans-93148.1176.6-69.2-79.881.200111.2S43 D44 T45M41-S43 VanDerWaalsContact C-N 3.29Å; M41-S43 PolarHBondContact O-N 2.89Å; M41-D44 PolarHBondContact O-N 3.4Å; M41-T45 WeakPolarHBondContact O-CB 3.42Å; M41-T45 PolarHBondContact O-N 3.41Å; M41-T45 PolarHBondContact O-OG1 3.41Å
42P95.8Very high95.2Very high54 Ų5459 Ų5935%0.35132%0.322SS..Hα-helixtrans-56-39.8-179-27.534.3000113.9A46 M82 A84P42-A46 VanDerWaalsContact O-CB 3.3Å; P42-A46 WeakPolarHBondContact O-CB 3.3Å; P42-A46 PolarHBondContact O-N 3.39Å; P42-M82 HydrophobicContact CB-SD 4.27Å; P42-M82 HydrophobicContact CG-SD 3.97Å; P42-A84 HydrophobicContact CB-CB 4.48Å
43S96.2Very high95.3Very high69 Ų6956.4 Ų56.448%0.48331%0.312SS..Hα-helixtrans-64.6-47.7-179.4470000113M41 A46 R47M41-S43 VanDerWaalsContact C-N 3.29Å; M41-S43 PolarHBondContact O-N 2.89Å; S43-A46 PolarHBondContact O-N 2.91Å; S43-R47 PolarHBondContact O-N 3.26Å
44D97.4Very high95.4Very high47 Ų4758.3 Ų58.325%0.25132%0.322SS..Hα-helixtrans-74-36.2-178-60-53.3000111.2Y32 M41 R47 H48Y32-D44 HydrophobicContact CE1-CB 4.18Å; M41-D44 PolarHBondContact O-N 3.4Å; D44-R47 WeakPolarHBondContact O-CB 3.4Å; D44-R47 PolarHBondContact O-N 2.88Å; D44-R47 IonicContact OD1-CZ 3.71Å; D44-R47 IonicContact OD1-NH1 3.55Å; D44-R47 PolarHBondContact OD1-NH1 3.24Å; D44-R47 IonicContact OD1-NH2 2.73Å; D44-H48 PolarHBondContact O-N 3.38Å
45T98.3Very high95.7Very high0 Ų061.5 Ų61.50%034%0.342CS..Hα-helixtrans-61.4-45.6173-540000111.3A11 N12 Y32 M41 R47 H48 H49 M82 P85A11-T45 WeakPolarHBondContact O-CG2 3.32Å; N12-T45 HydrophobicContact CB-CG2 4.45Å; Y32-T45 HydrophobicContact CD1-CG2 4.48Å; M41-T45 WeakPolarHBondContact O-CB 3.42Å; M41-T45 PolarHBondContact O-N 3.41Å; M41-T45 PolarHBondContact O-OG1 3.41Å; T45-R47 VanDerWaalsContact C-N 3.31Å; T45-R47 PolarHBondContact O-N 3.25Å; T45-H48 WeakPolarHBondContact O-CB 3.3Å; T45-H48 PolarHBondContact O-N 2.96Å; T45-H49 PolarHBondContact O-N 3.26Å; T45-H49 PolarHBondContact O-ND1 2.96Å; T45-M82 HydrophobicContact CG2-CE 3.88Å; T45-P85 HydrophobicContact CG2-CB 4.47Å; T45-P85 HydrophobicContact CG2-CG 3.84Å
46A98.4Very high95.9Very high1 Ų158 Ų581%0.00832%0.319CS..Hα-helixtrans-64.7-35.217600000112.1P42 S43 H49 R50 A84 P85P42-A46 VanDerWaalsContact O-CB 3.3Å; P42-A46 WeakPolarHBondContact O-CB 3.3Å; P42-A46 PolarHBondContact O-N 3.39Å; S43-A46 PolarHBondContact O-N 2.91Å; A46-H49 PolarHBondContact O-N 3.06Å; A46-R50 WeakPolarHBondContact O-CG 3.4Å; A46-R50 PolarHBondContact O-N 3.4Å; A46-R50 PolarHBondContact O-NH1 2.92Å; A46-A84 HydrophobicContact CB-CB 3.82Å; A46-P85 HydrophobicContact CB-CG 4.24Å
47R98.6Very high96.4Very high151 Ų15155 Ų5557%0.5730%0.299SS*.Hα-helixtrans-62-45.6173.1-172.4-172-65.11304.7111S43 D44 T45 R50 A51S43-R47 PolarHBondContact O-N 3.26Å; D44-R47 WeakPolarHBondContact O-CB 3.4Å; D44-R47 PolarHBondContact O-N 2.88Å; D44-R47 IonicContact OD1-CZ 3.71Å; D44-R47 IonicContact OD1-NH1 3.55Å; D44-R47 PolarHBondContact OD1-NH1 3.24Å; D44-R47 IonicContact OD1-NH2 2.73Å; T45-R47 VanDerWaalsContact C-N 3.31Å; T45-R47 PolarHBondContact O-N 3.25Å; R47-R50 PolarHBondContact O-N 3.4Å; R47-A51 PolarHBondContact O-N 3.36Å; R47-A51 VanDerWaalsContact O-N 3.13Å
48H98.7Very high97Very high39 Ų3959.3 Ų59.318%0.18131%0.308CS..Hα-helixtrans-58.3-49.6174.1165.9-101.9000111.4Y32 D44 T45 R50 A51 V52Y32-H48 HydrophobicContact CD2-CB 4.04Å; Y32-H48 HydrophobicContact CG-CB 4.16Å; D44-H48 PolarHBondContact O-N 3.38Å; T45-H48 WeakPolarHBondContact O-CB 3.3Å; T45-H48 PolarHBondContact O-N 2.96Å; H48-R50 PolarHBondContact O-N 3.1Å; H48-A51 WeakPolarHBondContact O-CB 3.34Å; H48-A51 PolarHBondContact O-N 2.87Å; H48-A51 VanDerWaalsContact O-N 3.09Å; H48-V52 WeakPolarHBondContact O-CG2 3.32Å; H48-V52 PolarHBondContact O-N 2.89Å
49H98.8Very high97.4Very high0 Ų056 Ų560%029%0.293CS..Hα-helixtrans-59.3-45.4179.5-66-0.9000112.2A11 T45 A46 A51 V52 I53 T88A11-H49 PolarHBondContact O-NE2 3.31Å; A11-H49 VanDerWaalsContact O-NE2 3.09Å; T45-H49 PolarHBondContact O-N 3.26Å; T45-H49 PolarHBondContact O-ND1 2.96Å; A46-H49 PolarHBondContact O-N 3.06Å; H49-A51 PolarHBondContact O-N 3.13Å; H49-V52 PolarHBondContact O-N 2.68Å; H49-I53 VanDerWaalsContact O-CB 3.23Å; H49-I53 WeakPolarHBondContact O-CB 3.32Å; H49-I53 WeakPolarHBondContact O-CG2 3.33Å; H49-I53 PolarHBondContact O-N 3.42Å; H49-T88 HydrophobicContact CB-CG2 3.98Å
50R98.7Very high97.9Very high140 Ų14054.9 Ų54.953%0.52828%0.281SS..Hα-helixtrans-58.5-35.5175.7-75.7-169.4-61.1-81.73.1112.9A46 R47 H48 V52 T88A46-R50 WeakPolarHBondContact O-CG 3.4Å; A46-R50 PolarHBondContact O-N 3.4Å; A46-R50 PolarHBondContact O-NH1 2.92Å; R47-R50 PolarHBondContact O-N 3.4Å; H48-R50 PolarHBondContact O-N 3.1Å; R50-V52 VanDerWaalsContact C-N 3.33Å; R50-V52 PolarHBondContact O-N 3.5Å; R50-T88 HydrophobicContact CB-CG2 4.39Å; R50-T88 HydrophobicContact CG-CG2 3.44Å; R50-T88 VanDerWaalsContact CG-CG2 3.44Å
51A98.7Very high98.2Very high76 Ų7653.3 Ų53.363%0.62828%0.275SS*.Hα-helixtrans-70.8-27.3-178.700000113.3R47 H48 H49R47-A51 PolarHBondContact O-N 3.36Å; R47-A51 VanDerWaalsContact O-N 3.13Å; H48-A51 WeakPolarHBondContact O-CB 3.34Å; H48-A51 PolarHBondContact O-N 2.87Å; H48-A51 VanDerWaalsContact O-N 3.09Å; H49-A51 PolarHBondContact O-N 3.13Å
52V98.8Very high98.4Very high33 Ų3354 Ų5420%0.228%0.276CS..Hα-helixtrans-120.5-17.6-170-540000115I14 R30 H48 H49 R50 L54 T55 V56I14-V52 HydrophobicContact CG2-CG2 3.57Å; R30-V52 HydrophobicContact CB-CG2 4.43Å; H48-V52 WeakPolarHBondContact O-CG2 3.32Å; H48-V52 PolarHBondContact O-N 2.89Å; H49-V52 PolarHBondContact O-N 2.68Å; R50-V52 VanDerWaalsContact C-N 3.33Å; R50-V52 PolarHBondContact O-N 3.5Å; V52-L54 VanDerWaalsContact C-N 3.33Å; V52-L54 PolarHBondContact O-N 3.12Å; V52-T55 WeakPolarHBondContact O-CA 3.32Å; V52-T55 WeakPolarHBondContact O-CB 3.45Å; V52-T55 PolarHBondContact O-N 3.06Å; V52-V56 HydrophobicContact CB-CG2 4.48Å; V52-V56 HydrophobicContact CG2-CG2 4.39Å; V52-V56 WeakPolarHBondContact O-CG2 3.38Å; V52-V56 PolarHBondContact O-N 3.41Å
53I98.8Very high98.5Very high4 Ų456.8 Ų56.82%0.02129%0.285CS..Hα-helixtrans-57.8-39.1-170.3-171.1166.9000113.8I14 I16 H49 V56 L57 V89 V92I14-I53 HydrophobicContact CD1-CD1 3.98Å; I14-I53 HydrophobicContact CD1-CG1 4.09Å; I14-I53 HydrophobicContact CG1-CB 4.44Å; I14-I53 HydrophobicContact CG1-CG1 4.46Å; I16-I53 HydrophobicContact CD1-CG1 4.07Å; I16-I53 WeakPolarHBondContact CD1-O 3.29Å; H49-I53 VanDerWaalsContact O-CB 3.23Å; H49-I53 WeakPolarHBondContact O-CB 3.32Å; H49-I53 WeakPolarHBondContact O-CG2 3.33Å; H49-I53 PolarHBondContact O-N 3.42Å; I53-V56 PolarHBondContact O-N 2.84Å; I53-L57 WeakPolarHBondContact O-CB 3.49Å; I53-L57 PolarHBondContact O-N 3.15Å; I53-V89 HydrophobicContact CD1-CB 4.46Å; I53-V89 HydrophobicContact CD1-CG2 4.17Å; I53-V92 HydrophobicContact CD1-CB 3.85Å; I53-V92 HydrophobicContact CD1-CG1 4.16Å; I53-V92 HydrophobicContact CD1-CG2 3.83Å; I53-V92 HydrophobicContact CG1-CG1 4.33Å; I53-V92 HydrophobicContact CG1-CG2 4.41Å; I53-V92 HydrophobicContact CG2-CG2 3.98Å
54L98.8Very high98.6Very high113 Ų11354.2 Ų54.259%0.59227%0.268SS*.Hα-helixtrans-72.4-32.3177.8-61.3-176.1000112.3V52 L57 K58 V92V52-L54 VanDerWaalsContact C-N 3.33Å; V52-L54 PolarHBondContact O-N 3.12Å; L54-L57 HydrophobicContact CD2-CD2 4.48Å; L54-L57 PolarHBondContact O-N 3.41Å; L54-K58 WeakPolarHBondContact O-CB 3.1Å; L54-K58 PolarHBondContact O-N 3.27Å; L54-V92 HydrophobicContact CD2-CG1 4.1Å
55T98.8Very high98.7Very high77 Ų7755.1 Ų55.147%0.47229%0.288SS..Hα-helixtrans-65.2-47.7172.3-52.30000110.2V52 L57 K58 E59V52-T55 WeakPolarHBondContact O-CA 3.32Å; V52-T55 WeakPolarHBondContact O-CB 3.45Å; V52-T55 PolarHBondContact O-N 3.06Å; T55-L57 VanDerWaalsContact C-N 3.28Å; T55-L57 PolarHBondContact O-N 3.45Å; T55-K58 PolarHBondContact O-N 2.76Å; T55-E59 WeakPolarHBondContact O-CG 3.48Å; T55-E59 PolarHBondContact O-N 3.43Å
56V98.8Very high98.7Very high1 Ų156.3 Ų56.31%0.00629%0.294CS..Hα-helixtrans-62.8-36.1177.2-179.60000111.2I16 P28 R30 V52 I53 E59 A60I16-V56 HydrophobicContact CB-CG1 3.99Å; I16-V56 HydrophobicContact CD1-CB 4.29Å; I16-V56 HydrophobicContact CD1-CG1 4.19Å; I16-V56 HydrophobicContact CG1-CG1 4.03Å; P28-V56 HydrophobicContact CB-CG1 4.15Å; P28-V56 HydrophobicContact CG-CG1 3.98Å; P28-V56 WeakPolarHBondContact O-CG1 3.41Å; R30-V56 HydrophobicContact CG-CG2 3.96Å; V52-V56 HydrophobicContact CB-CG2 4.48Å; V52-V56 HydrophobicContact CG2-CG2 4.39Å; V52-V56 WeakPolarHBondContact O-CG2 3.38Å; V52-V56 PolarHBondContact O-N 3.41Å; I53-V56 PolarHBondContact O-N 2.84Å; V56-E59 PolarHBondContact O-N 3.12Å; V56-A60 WeakPolarHBondContact O-CB 3.32Å; V56-A60 PolarHBondContact O-N 3.3Å
57L98.9Very high98.6Very high15 Ų1563.4 Ų63.48%0.07933%0.325CS..Hα-helixtrans-63-47.7175.717556.4000111.4I5 F7 I16 I53 L54 T55 A60 L61 V96 W100I5-L57 HydrophobicContact CD1-CD1 3.54Å; F7-L57 HydrophobicContact CE1-CD1 3.99Å; F7-L57 HydrophobicContact CE1-CD2 4.42Å; F7-L57 HydrophobicContact CZ-CD1 3.61Å; F7-L57 HydrophobicContact CZ-CD2 4.38Å; I16-L57 VanDerWaalsContact CD1-CA 3.47Å; I16-L57 HydrophobicContact CD1-CB 3.58Å; I16-L57 HydrophobicContact CD1-CD1 4.28Å; I16-L57 HydrophobicContact CG2-CD1 4.24Å; I53-L57 WeakPolarHBondContact O-CB 3.49Å; I53-L57 PolarHBondContact O-N 3.15Å; L54-L57 HydrophobicContact CD2-CD2 4.48Å; L54-L57 PolarHBondContact O-N 3.41Å; T55-L57 VanDerWaalsContact C-N 3.28Å; T55-L57 PolarHBondContact O-N 3.45Å; L57-A60 PolarHBondContact O-N 3.32Å; L57-L61 HydrophobicContact CD1-CD1 4.34Å; L57-L61 PolarHBondContact O-N 2.93Å; L57-L61 VanDerWaalsContact O-N 3.17Å; L57-V96 HydrophobicContact CD2-CG1 3.9Å; L57-W100 HydrophobicContact CD1-CH2 4.18Å
58K98.7Very high98.6Very high123 Ų12358.6 Ų58.654%0.53531%0.314SS..Hα-helixtrans-61.3-47.7177.2-180178.7170.1-177.40110.9L54 T55 A60 L61 E62L54-K58 WeakPolarHBondContact O-CB 3.1Å; L54-K58 PolarHBondContact O-N 3.27Å; T55-K58 PolarHBondContact O-N 2.76Å; K58-A60 VanDerWaalsContact C-N 3.26Å; K58-A60 PolarHBondContact O-N 2.8Å; K58-L61 PolarHBondContact O-N 2.97Å; K58-E62 WeakPolarHBondContact CE-OE1 3.38Å; K58-E62 HydrophobicContact CG-CG 4.37Å; K58-E62 IonicContact NZ-OE1 3.7Å; K58-E62 WeakPolarHBondContact O-CB 3.27Å; K58-E62 WeakPolarHBondContact O-CG 3.31Å; K58-E62 PolarHBondContact O-N 3.17Å
59E98.8Very high98.5Very high44 Ų4460.4 Ų60.421%0.20634%0.335CS..Hα-helixtrans-56.4-40.6175.4-73.5175.6-158.700111.7P28 R30 T55 V56 E62 Q63P28-E59 HydrophobicContact CB-CB 4.18Å; P28-E59 HydrophobicContact CG-CB 4.12Å; R30-E59 IonicContact CZ-OE1 3Å; R30-E59 IonicContact CZ-OE2 3.76Å; R30-E59 IonicContact NH1-OE2 2.82Å; R30-E59 IonicContact NH2-OE1 3.57Å; R30-E59 PolarHBondContact NH2-OE1 3.39Å; R30-E59 IonicContact NH2-OE2 3.94Å; R30-E59 PolarHBondContact NH2-OE2 3.05Å; T55-E59 WeakPolarHBondContact O-CG 3.48Å; T55-E59 PolarHBondContact O-N 3.43Å; V56-E59 PolarHBondContact O-N 3.12Å; E59-E62 PolarHBondContact O-N 3.5Å; E59-Q63 VanDerWaalsContact O-CB 3.29Å; E59-Q63 WeakPolarHBondContact O-CB 3.4Å; E59-Q63 VanDerWaalsContact O-CG 3.23Å; E59-Q63 WeakPolarHBondContact O-CG 3.42Å; E59-Q63 PolarHBondContact O-N 2.64Å
60A98.8Very high98.5Very high0 Ų063.8 Ų63.80%035%0.353CS..Hα-helixtrans-64.5-45.6-178.700000112I16 I18 S26 P28 V56 L57 K58 A64I16-A60 HydrophobicContact CB-CB 4.12Å; I16-A60 HydrophobicContact CG2-CB 3.76Å; I18-A60 HydrophobicContact CD1-CB 4.32Å; I18-A60 WeakPolarHBondContact CD1-O 3.18Å; S26-A60 VanDerWaalsContact CB-O 3.29Å; S26-A60 WeakPolarHBondContact CB-O 3.3Å; S26-A60 VanDerWaalsContact OG-CA 3.31Å; S26-A60 WeakPolarHBondContact OG-CA 3.39Å; S26-A60 PolarHBondContact OG-O 2.75Å; P28-A60 HydrophobicContact CG-CB 3.73Å; V56-A60 WeakPolarHBondContact O-CB 3.32Å; V56-A60 PolarHBondContact O-N 3.3Å; L57-A60 PolarHBondContact O-N 3.32Å; K58-A60 VanDerWaalsContact C-N 3.26Å; K58-A60 PolarHBondContact O-N 2.8Å; A60-A64 WeakPolarHBondContact O-CB 3.24Å; A60-A64 PolarHBondContact O-N 2.63Å
61L98.8Very high98.5Very high23 Ų2357.1 Ų57.112%0.1233%0.328CS..Hα-helixtrans-65.5-43.1176.7-70.5168.9000111.9I5 I18 L57 K58 A64 G65 L66 P68 I71 W100I5-L61 HydrophobicContact CD1-CD2 4.45Å; I18-L61 HydrophobicContact CD1-CD2 4Å; L57-L61 HydrophobicContact CD1-CD1 4.34Å; L57-L61 PolarHBondContact O-N 2.93Å; L57-L61 VanDerWaalsContact O-N 3.17Å; K58-L61 PolarHBondContact O-N 2.97Å; L61-A64 PolarHBondContact O-N 3.49Å; L61-G65 PolarHBondContact O-N 2.74Å; L61-L66 PolarHBondContact O-N 2.94Å; L61-L66 VanDerWaalsContact O-N 3.07Å; L61-P68 HydrophobicContact CD1-CG 4.47Å; L61-I71 HydrophobicContact CD2-CD1 4.27Å; L61-I71 HydrophobicContact CD2-CG1 4.33Å; L61-W100 HydrophobicContact CD1-CH2 4.32Å; L61-W100 HydrophobicContact CD1-CZ2 4.46Å
62E98.6Very high98.5Very high123 Ų12356.2 Ų56.258%0.57531%0.313SS*.Hα-helixtrans-64.1-45.7178.4-74.5177.1163.800112.1K58 E59 A64 G65K58-E62 WeakPolarHBondContact CE-OE1 3.38Å; K58-E62 HydrophobicContact CG-CG 4.37Å; K58-E62 IonicContact NZ-OE1 3.7Å; K58-E62 WeakPolarHBondContact O-CB 3.27Å; K58-E62 WeakPolarHBondContact O-CG 3.31Å; K58-E62 PolarHBondContact O-N 3.17Å; E59-E62 PolarHBondContact O-N 3.5Å; E62-A64 PolarHBondContact O-N 3.22Å; E62-G65 PolarHBondContact O-N 2.95Å; E62-G65 VanDerWaalsContact O-N 3.14Å
63Q98.6Very high98.5Very high113 Ų11354.7 Ų54.753%0.52830%0.303SS..Hα-helixtrans-63.8-39.2176.9-75.4177.115.700112.4S26 E59 G65S26-Q63 WeakPolarHBondContact OG-CB 3.29Å; S26-Q63 PolarHBondContact OG-OE1 2.93Å; E59-Q63 VanDerWaalsContact O-CB 3.29Å; E59-Q63 WeakPolarHBondContact O-CB 3.4Å; E59-Q63 VanDerWaalsContact O-CG 3.23Å; E59-Q63 WeakPolarHBondContact O-CG 3.42Å; E59-Q63 PolarHBondContact O-N 2.64Å; Q63-G65 PolarHBondContact O-N 3.26Å
64A98.4Very high98.5Very high15 Ų1554.5 Ų54.512%0.12430%0.302CS..Hα-helixtrans-73.9-14.8176.300000113.2I18 L25 A60 L61 E62 L66I18-A64 HydrophobicContact CB-CB 4.34Å; I18-A64 HydrophobicContact CD1-CB 3.74Å; I18-A64 HydrophobicContact CG2-CB 4.46Å; L25-A64 HydrophobicContact CB-CB 3.84Å; L25-A64 HydrophobicContact CD1-CB 4.3Å; A60-A64 WeakPolarHBondContact O-CB 3.24Å; A60-A64 PolarHBondContact O-N 2.63Å; L61-A64 PolarHBondContact O-N 3.49Å; E62-A64 PolarHBondContact O-N 3.22Å; A64-L66 VanDerWaalsContact C-N 3.27Å; A64-L66 HydrophobicContact CB-CB 4.35Å; A64-L66 HydrophobicContact CB-CD1 4.19Å; A64-L66 HydrophobicContact CB-CG 4.01Å; A64-L66 PolarHBondContact O-N 2.99Å
65G98.3Very high98.5Very high66 Ų6649.1 Ų49.168%0.6827%0.274SS*.THydrogen-bonded Turntrans65.728.6-173.800000113.3L61 E62 Q63L61-G65 PolarHBondContact O-N 2.74Å; E62-G65 PolarHBondContact O-N 2.95Å; E62-G65 VanDerWaalsContact O-N 3.14Å; Q63-G65 PolarHBondContact O-N 3.26Å
66L98.3Very high98.5Very high25 Ų2545.4 Ų45.413%0.13125%0.252CS..  trans-115151.1-173.9-63.9-175.8000112.3V3 I18 L25 L61 A64 D70 I71V3-L66 HydrophobicContact CG1-CD1 3.63Å; V3-L66 HydrophobicContact CG2-CD1 4.5Å; I18-L66 HydrophobicContact CG2-CD1 4.1Å; L25-L66 HydrophobicContact CD1-CD1 3.75Å; L61-L66 PolarHBondContact O-N 2.94Å; L61-L66 VanDerWaalsContact O-N 3.07Å; A64-L66 VanDerWaalsContact C-N 3.27Å; A64-L66 HydrophobicContact CB-CB 4.35Å; A64-L66 HydrophobicContact CB-CD1 4.19Å; A64-L66 HydrophobicContact CB-CG 4.01Å; A64-L66 PolarHBondContact O-N 2.99Å; L66-D70 HydrophobicContact CB-CB 4.32Å; L66-D70 HydrophobicContact CD2-CB 4.08Å; L66-I71 HydrophobicContact CD1-CD1 4.36Å
67K98Very high98.5Very high151 Ų15145.4 Ų45.466%0.65725%0.252SS*.  trans-99.2160.2171.1-62.7177.3-176.2174.20109.8A69 D70K67-A69 PolarHBondContact O-N 2.84Å; K67-D70 WeakPolarHBondContact CB-OD2 3.28Å; K67-D70 PolarHBondContact N-OD2 2.85Å; K67-D70 WeakPolarHBondContact O-CB 3.38Å; K67-D70 PolarHBondContact O-N 3.2Å
68P97.6Very high98.5Very high50 Ų5045.6 Ų45.633%0.32525%0.252SS..G310 helixtrans-50.3-32.7173.1-33.539.1000115.4L61 D70 I71 W100L61-P68 HydrophobicContact CD1-CG 4.47Å; P68-D70 VanDerWaalsContact C-N 3.26Å; P68-D70 PolarHBondContact O-N 2.75Å; P68-I71 PolarHBondContact O-N 3.45Å; P68-W100 HydrophobicContact CB-CD2 3.77Å; P68-W100 HydrophobicContact CB-CE3 4.44Å; P68-W100 HydrophobicContact CB-CG 3.87Å; P68-W100 HydrophobicContact CB-CZ2 4.09Å; P68-W100 HydrophobicContact CG-CZ2 3.98Å
69A97.8Very high98.5Very high76 Ų7639.7 Ų39.763%0.62823%0.226SC*.G310 helixtrans-65.6-29.2178.700000113K67 I71 K102K67-A69 PolarHBondContact O-N 2.84Å; A69-I71 VanDerWaalsContact C-N 3.31Å; A69-K102 PolarHBondContact O-NZ 3.28Å
70D98.1Very high98.5Very high72 Ų7238.4 Ų38.439%0.38522%0.222SC..G310 helixtrans-81.3-10-177.5-50.9-44.6000112.7V3 L66 K67 P68V3-D70 WeakPolarHBondContact CB-O 3.5Å; L66-D70 HydrophobicContact CB-CB 4.32Å; L66-D70 HydrophobicContact CD2-CB 4.08Å; K67-D70 WeakPolarHBondContact CB-OD2 3.28Å; K67-D70 PolarHBondContact N-OD2 2.85Å; K67-D70 WeakPolarHBondContact O-CB 3.38Å; K67-D70 PolarHBondContact O-N 3.2Å; P68-D70 VanDerWaalsContact C-N 3.26Å; P68-D70 PolarHBondContact O-N 2.75Å
71I98.6Very high98.4Very high0 Ų039.6 Ų39.60%023%0.233CC..  trans-80.8129.7175.8-58.3-55.7000109V3 I5 I18 L61 L66 P68 A69 C73 W100 K102V3-I71 HydrophobicContact CG1-CD1 3.75Å; I5-I71 HydrophobicContact CB-CD1 4.31Å; I5-I71 HydrophobicContact CB-CG2 4.28Å; I5-I71 HydrophobicContact CG2-CG2 3.62Å; I18-I71 HydrophobicContact CD1-CD1 4.37Å; I18-I71 HydrophobicContact CG2-CD1 4.39Å; L61-I71 HydrophobicContact CD2-CD1 4.27Å; L61-I71 HydrophobicContact CD2-CG1 4.33Å; L66-I71 HydrophobicContact CD1-CD1 4.36Å; P68-I71 PolarHBondContact O-N 3.45Å; A69-I71 VanDerWaalsContact C-N 3.31Å; I71-C73 WeakPolarHBondContact CG2-O 3.15Å; I71-W100 HydrophobicContact CG1-CZ3 4.37Å; I71-K102 WeakPolarHBondContact O-CD 3.42Å; I71-K102 WeakPolarHBondContact O-CE 3.46Å; I71-K102 PolarHBondContact O-NZ 2.95Å
72D98.4Very high98.4Very high57 Ų5740.1 Ų40.131%0.30524%0.236SC..  trans-91-32.6177.4-63.3-58.2000112.2T2 V3 P103T2-D72 VanDerWaalsContact CA-OD2 3.28Å; T2-D72 WeakPolarHBondContact CA-OD2 3.48Å; T2-D72 HydrophobicContact CG2-CB 4.09Å; V3-D72 PolarHBondContact N-OD2 3.08Å; V3-D72 WeakPolarHBondContact O-CB 3.13Å; V3-D72 PolarHBondContact O-N 3.02Å; D72-P103 WeakPolarHBondContact O-CD 3.37Å
73C97.9Very high98.3Very high0 Ų034.9 Ų34.90%022%0.215CC..EExtended strand (participates in β ladder)trans-150.8150.6-178.6-169.10000113.3V3 V4 I5 I71 P103 L105 F307V3-C73 PolarHBondContact O-N 3.11Å; V4-C73 WeakPolarHBondContact CA-O 3.44Å; V4-C73 HydrophobicContact CG2-CB 4.26Å; I5-C73 PolarHBondContact N-O 3.44Å; I5-C73 VanDerWaalsContact N-O 3.09Å; I71-C73 WeakPolarHBondContact CG2-O 3.15Å; C73-P103 PolarHBondContact SG-O 3.41Å; C73-L105 HydrophobicContact CB-CD1 4.39Å; C73-L105 WeakPolarHBondContact SG-CD1 3.2Å; C73-L105 WeakPolarHBondContact SG-CG 3.45Å; C73-F307 HydrophobicContact CB-CD2 4.05Å; C73-F307 HydrophobicContact CB-CE2 4.2Å; C73-F307 HydrophobicContact CB-CG 4.25Å
74V98.9Very high98.3Very high0 Ų031.6 Ų31.60%021%0.207CC..EExtended strand (participates in β ladder)trans-109119.4176179.50000109.8I5 F7 A93 V96 A97 W100 K102 P103 L104 L105I5-V74 HydrophobicContact CG2-CB 4.25Å; I5-V74 HydrophobicContact CG2-CG1 4.33Å; I5-V74 HydrophobicContact CG2-CG2 3.85Å; F7-V74 HydrophobicContact CD2-CG1 4.02Å; F7-V74 HydrophobicContact CE2-CG1 3.77Å; V74-A93 HydrophobicContact CG1-CB 4.09Å; V74-V96 HydrophobicContact CG1-CG2 4.02Å; V74-V96 HydrophobicContact CG2-CG2 4.21Å; V74-A97 HydrophobicContact CB-CB 4.11Å; V74-A97 HydrophobicContact CG1-CB 4.48Å; V74-A97 HydrophobicContact CG2-CB 4.11Å; V74-W100 HydrophobicContact CG2-CE3 4.14Å; V74-W100 HydrophobicContact CG2-CZ3 4.29Å; V74-K102 HydrophobicContact CG2-CB 4.33Å; V74-P103 PolarHBondContact N-O 3.33Å; V74-L104 HydrophobicContact CB-CD1 4.18Å; V74-L104 HydrophobicContact CG1-CD1 3.92Å; V74-L104 CarbonylContact O-C 3.59Å; V74-L104 VanDerWaalsContact O-CA 3.3Å; V74-L104 WeakPolarHBondContact O-CA 3.44Å; V74-L105 PolarHBondContact O-N 3.41Å
75A98.9Very high98.3Very high0 Ų030.9 Ų30.90%020%0.201CC..EExtended strand (participates in β ladder)trans-107.9143.8174.900000111.1V4 I5 G6 F7 L105 V107 I299V4-A75 HydrophobicContact CG1-CB 3.91Å; I5-A75 PolarHBondContact O-N 3.26Å; G6-A75 CarbonylContact C-O 3.13Å; G6-A75 VanDerWaalsContact CA-O 3.31Å; G6-A75 WeakPolarHBondContact CA-O 3.49Å; F7-A75 WeakPolarHBondContact CD2-O 3.41Å; F7-A75 PolarHBondContact N-O 3.21Å; A75-L105 WeakPolarHBondContact CA-O 3.41Å; A75-L105 HydrophobicContact CB-CB 4.12Å; A75-L105 HydrophobicContact CB-CD1 4.42Å; A75-V107 HydrophobicContact CB-CG2 3.94Å; A75-I299 HydrophobicContact CB-CG2 3.91Å
76Y98.9Very high98.4Very high0 Ų027.8 Ų27.80%017%0.169CC..EExtended strand (participates in β ladder)trans-144155.7175.275.6-73.1000111F7 K78 A90 A93 L104 L105 G106 V107 S318F7-Y76 WeakPolarHBondContact O-CA 3.48Å; Y76-K78 HydrophobicContact CE2-CB 4.39Å; Y76-K78 PolarHBondContact O-N 3.5Å; Y76-K78 VanDerWaalsContact O-N 3.12Å; Y76-A90 HydrophobicContact CD2-CB 3.73Å; Y76-A90 HydrophobicContact CE2-CB 3.68Å; Y76-A93 HydrophobicContact CD1-CB 4.27Å; Y76-A93 HydrophobicContact CG-CB 3.94Å; Y76-L104 HydrophobicContact CD1-CD1 3.69Å; Y76-L104 HydrophobicContact CD1-CD2 4.34Å; Y76-L104 HydrophobicContact CD1-CG 3.98Å; Y76-L104 HydrophobicContact CE1-CD1 4.01Å; Y76-L104 HydrophobicContact CE1-CD2 3.83Å; Y76-L104 HydrophobicContact CE1-CG 3.78Å; Y76-L105 WeakPolarHBondContact CD1-O 3.3Å; Y76-L105 WeakPolarHBondContact CE1-O 3.36Å; Y76-L105 PolarHBondContact N-O 2.83Å; Y76-G106 VanDerWaalsContact CE1-CA 3.49Å; Y76-V107 PolarHBondContact O-N 3Å; Y76-S318 VanDerWaalsContact OH-CA 3.25Å; Y76-S318 WeakPolarHBondContact OH-CA 3.44Å; Y76-S318 WeakPolarHBondContact OH-CB 3.32Å; Y76-S318 PolarHBondContact OH-O 2.86Å
77T98.9Very high98.4Very high1 Ų130.3 Ų30.31%0.00619%0.185CC..EExtended strand (participates in β ladder)trans-69109.6175.2-450000110.5F7 E8 L86 H109 I299F7-T77 PolarHBondContact O-N 3.4Å; F7-T77 PolarHBondContact O-OG1 2.97Å; E8-T77 WeakPolarHBondContact OE2-CG2 3.5Å; E8-T77 PolarHBondContact OE2-OG1 2.97Å; T77-L86 HydrophobicContact CG2-CD2 4.07Å; T77-H109 HydrophobicContact CG2-CB 3.64Å; T77-I299 HydrophobicContact CG2-CD1 4.41Å; T77-I299 WeakPolarHBondContact OG1-CD1 3.23Å; T77-I299 WeakPolarHBondContact OG1-CG1 3.04Å
78K98.8Very high98.4Very high18 Ų1823.7 Ų23.78%0.07816%0.158CC..EExtended strand (participates in β ladder)trans-73.7-34.2172.9-163.7174.7-171.9170.60111.2Y76 V107 D317 W319 I320 T321 Y324Y76-K78 HydrophobicContact CE2-CB 4.39Å; Y76-K78 PolarHBondContact O-N 3.5Å; Y76-K78 VanDerWaalsContact O-N 3.12Å; K78-V107 PolarHBondContact N-O 3.25Å; K78-D317 VanDerWaalsContact CE-O 3.3Å; K78-D317 WeakPolarHBondContact CE-O 3.32Å; K78-D317 PolarHBondContact NZ-O 3.48Å; K78-W319 WeakPolarHBondContact CE-O 3.25Å; K78-W319 WeakPolarHBondContact CG-O 3.48Å; K78-I320 CarbonylContact O-C 3.53Å; K78-I320 WeakPolarHBondContact O-CA 3.25Å; K78-T321 PolarHBondContact O-N 3.19Å; K78-Y324 HydrophobicContact CB-CD1 4.31Å; K78-Y324 HydrophobicContact CB-CE1 4.18Å; K78-Y324 HydrophobicContact CD-CE1 4.23Å
79G98.4Very high98.5Very high0 Ų021.4 Ų21.40%014%0.142CC..EExtended strand (participates in β ladder)trans159.9-179.6179.500000112.4N108 H109 T321G79-N108 CarbonylContact O-C 3.59Å; G79-N108 WeakPolarHBondContact O-CA 3.22Å; G79-H109 PolarHBondContact O-N 2.68Å; G79-T321 VanDerWaalsContact CA-O 3.26Å; G79-T321 WeakPolarHBondContact CA-O 3.49Å
80P98.5Very high98.5Very high17 Ų1717.8 Ų17.811%0.1111%0.113CC..SBendcis-70.5174.8-7.931-36.6000112.2Q322 Y324P80-Q322 VanDerWaalsContact CB-O 3.25Å; P80-Q322 WeakPolarHBondContact CB-O 3.49Å; P80-Y324 WeakPolarHBondContact CD-O 3.35Å
81G97.7Very high98.5Very high24 Ų2419.8 Ų19.825%0.24712%0.123CC..SBendtrans156.2-177.3177.500000114.4Q322G81-Q322 PolarHBondContact N-O 3.32Å; G81-Q322 WeakPolarHBondContact O-CA 3.37Å; G81-Q322 WeakPolarHBondContact O-CB 3.38Å; G81-Q322 WeakPolarHBondContact O-CG 3.47Å
82M97.9Very high98.5Very high34 Ų3420.6 Ų20.617%0.16713%0.128CC..  trans-70.2129.1176-67.7-169.5-80.100110.8S10 A11 F40 P42 T45 A84 P85 L86S10-M82 PolarHBondContact O-N 3.42Å; A11-M82 WeakPolarHBondContact O-CE 3.49Å; F40-M82 HydrophobicContact CD2-CE 3.58Å; F40-M82 HydrophobicContact CD2-SD 4.04Å; F40-M82 HydrophobicContact CE2-CE 3.52Å; F40-M82 HydrophobicContact CE2-SD 4.05Å; P42-M82 HydrophobicContact CB-SD 4.27Å; P42-M82 HydrophobicContact CG-SD 3.97Å; T45-M82 HydrophobicContact CG2-CE 3.88Å; M82-A84 PolarHBondContact O-N 2.97Å; M82-P85 HydrophobicContact CB-CB 4.4Å; M82-P85 HydrophobicContact CB-CG 3.8Å; M82-P85 HydrophobicContact CE-CG 4.09Å; M82-P85 WeakPolarHBondContact O-CD 3.4Å; M82-L86 WeakPolarHBondContact O-CB 3.27Å; M82-L86 VanDerWaalsContact O-CG 3.32Å; M82-L86 WeakPolarHBondContact O-CG 3.17Å; M82-L86 PolarHBondContact O-N 3.33Å
83G98.3Very high98.6Very high13 Ų1317.9 Ų17.913%0.13411%0.113CC..Hα-helixtrans-55.7-53.4-17400000114.8L86 V87 Q322G83-L86 PolarHBondContact O-N 2.76Å; G83-V87 WeakPolarHBondContact O-CG2 3.35Å; G83-V87 PolarHBondContact O-N 2.71Å; G83-Q322 VanDerWaalsContact N-OE1 3.09Å
84A98.3Very high98.6Very high44 Ų4421.4 Ų21.436%0.36413%0.127SC..Hα-helixtrans-64.4-42.8-175.900000114P42 A46 M82 T88P42-A84 HydrophobicContact CB-CB 4.48Å; A46-A84 HydrophobicContact CB-CB 3.82Å; M82-A84 PolarHBondContact O-N 2.97Å; A84-T88 PolarHBondContact O-N 2.99Å; A84-T88 PolarHBondContact O-OG1 3.31Å
85P98.6Very high98.6Very high0 Ų024.4 Ų24.40%015%0.145CC..Hα-helixtrans-59.3-48.1168.9-30.639.4000113.8G9 T45 A46 M82 V87 T88 V89G9-P85 CarbonylContact O-C 3.57Å; G9-P85 WeakPolarHBondContact O-CB 3.3Å; T45-P85 HydrophobicContact CG2-CB 4.47Å; T45-P85 HydrophobicContact CG2-CG 3.84Å; A46-P85 HydrophobicContact CB-CG 4.24Å; M82-P85 HydrophobicContact CB-CB 4.4Å; M82-P85 HydrophobicContact CB-CG 3.8Å; M82-P85 HydrophobicContact CE-CG 4.09Å; M82-P85 WeakPolarHBondContact O-CD 3.4Å; P85-V87 VanDerWaalsContact C-N 3.34Å; P85-V87 PolarHBondContact O-N 3.09Å; P85-T88 WeakPolarHBondContact O-CB 3.45Å; P85-T88 PolarHBondContact O-N 2.9Å; P85-T88 VanDerWaalsContact O-N 3.07Å; P85-V89 PolarHBondContact O-N 2.88Å; P85-V89 VanDerWaalsContact O-N 3.11Å
86L98.8Very high98.6Very high1 Ų125 Ų251%0.00515%0.148CC..Hα-helixtrans-56.9-46178.2-76174.4000112.1T77 M82 G83 T88 V89 A90 I320T77-L86 HydrophobicContact CG2-CD2 4.07Å; M82-L86 WeakPolarHBondContact O-CB 3.27Å; M82-L86 VanDerWaalsContact O-CG 3.32Å; M82-L86 WeakPolarHBondContact O-CG 3.17Å; M82-L86 PolarHBondContact O-N 3.33Å; G83-L86 PolarHBondContact O-N 2.76Å; L86-T88 VanDerWaalsContact C-N 3.29Å; L86-T88 PolarHBondContact O-N 3.19Å; L86-V89 PolarHBondContact O-N 2.75Å; L86-A90 WeakPolarHBondContact O-CB 3.5Å; L86-A90 PolarHBondContact O-N 3.15Å; L86-I320 HydrophobicContact CB-CB 4.04Å; L86-I320 HydrophobicContact CB-CD1 4.37Å; L86-I320 HydrophobicContact CB-CG1 4.34Å; L86-I320 HydrophobicContact CB-CG2 4Å; L86-I320 HydrophobicContact CD1-CD1 4.49Å
87V98.6Very high98.6Very high78 Ų7825.2 Ų25.247%0.47315%0.15SC..Hα-helixtrans-58.9-42.6176.9170.80000111.2G83 P85 V89 L91 I320G83-V87 WeakPolarHBondContact O-CG2 3.35Å; G83-V87 PolarHBondContact O-N 2.71Å; P85-V87 VanDerWaalsContact C-N 3.34Å; P85-V87 PolarHBondContact O-N 3.09Å; V87-V89 VanDerWaalsContact C-N 3.34Å; V87-V89 PolarHBondContact O-N 3.3Å; V87-L91 WeakPolarHBondContact O-CB 3.32Å; V87-L91 PolarHBondContact O-N 2.9Å; V87-I320 HydrophobicContact CG2-CD1 4.19Å; V87-I320 HydrophobicContact CG2-CG1 3.79Å
88T98.4Very high98.6Very high13 Ų1330.9 Ų30.98%0.0818%0.176CC..Hα-helixtrans-59.1-46.6179.3-63.70000111.3H49 R50 A84 P85 L86 V92H49-T88 HydrophobicContact CB-CG2 3.98Å; R50-T88 HydrophobicContact CB-CG2 4.39Å; R50-T88 HydrophobicContact CG-CG2 3.44Å; R50-T88 VanDerWaalsContact CG-CG2 3.44Å; A84-T88 PolarHBondContact O-N 2.99Å; A84-T88 PolarHBondContact O-OG1 3.31Å; P85-T88 WeakPolarHBondContact O-CB 3.45Å; P85-T88 PolarHBondContact O-N 2.9Å; P85-T88 VanDerWaalsContact O-N 3.07Å; L86-T88 VanDerWaalsContact C-N 3.29Å; L86-T88 PolarHBondContact O-N 3.19Å; T88-V92 PolarHBondContact O-N 2.79Å
89V98.8Very high98.6Very high1 Ų136.3 Ų36.31%0.00621%0.206CC..Hα-helixtrans-70.4-47-178.6179.40000111.5F7 I14 I53 P85 L86 V87 L91 V92 A93F7-V89 HydrophobicContact CB-CG1 3.57Å; I14-V89 HydrophobicContact CD1-CG2 3.83Å; I53-V89 HydrophobicContact CD1-CB 4.46Å; I53-V89 HydrophobicContact CD1-CG2 4.17Å; P85-V89 PolarHBondContact O-N 2.88Å; P85-V89 VanDerWaalsContact O-N 3.11Å; L86-V89 PolarHBondContact O-N 2.75Å; V87-V89 VanDerWaalsContact C-N 3.34Å; V87-V89 PolarHBondContact O-N 3.3Å; V89-L91 VanDerWaalsContact C-N 3.28Å; V89-L91 PolarHBondContact O-N 3Å; V89-V92 PolarHBondContact O-N 2.74Å; V89-V92 VanDerWaalsContact O-N 3.16Å; V89-A93 PolarHBondContact O-N 2.8Å
90A98.8Very high98.6Very high1 Ų139 Ų391%0.00822%0.216CC..Hα-helixtrans-59.5-39179.500000111.9Y76 L86 V92 A93 R94 I320Y76-A90 HydrophobicContact CD2-CB 3.73Å; Y76-A90 HydrophobicContact CE2-CB 3.68Å; L86-A90 WeakPolarHBondContact O-CB 3.5Å; L86-A90 PolarHBondContact O-N 3.15Å; A90-V92 PolarHBondContact O-N 3.38Å; A90-A93 PolarHBondContact O-N 2.95Å; A90-R94 WeakPolarHBondContact O-CB 3.21Å; A90-R94 WeakPolarHBondContact O-CG 3.25Å; A90-R94 PolarHBondContact O-N 2.76Å; A90-I320 HydrophobicContact CB-CG2 3.53Å
91L98.7Very high98.6Very high113 Ų11341.3 Ų41.359%0.59224%0.243SC*.Hα-helixtrans-59.5-45.9176.5-173.5110.9000111.7V87 V89 T95V87-L91 WeakPolarHBondContact O-CB 3.32Å; V87-L91 PolarHBondContact O-N 2.9Å; V89-L91 VanDerWaalsContact C-N 3.28Å; V89-L91 PolarHBondContact O-N 3Å; L91-T95 WeakPolarHBondContact O-CB 3.15Å; L91-T95 PolarHBondContact O-N 2.98Å; L91-T95 PolarHBondContact O-OG1 3.33Å
92V98.8Very high98.6Very high17 Ų1742.5 Ų42.510%0.10324%0.241CC..Hα-helixtrans-66.9-46.8178.6175.80000110.8F7 I53 L54 T88 V89 A90 R94 T95 V96F7-V92 HydrophobicContact CD1-CG1 4.49Å; F7-V92 HydrophobicContact CE1-CG1 3.91Å; I53-V92 HydrophobicContact CD1-CB 3.85Å; I53-V92 HydrophobicContact CD1-CG1 4.16Å; I53-V92 HydrophobicContact CD1-CG2 3.83Å; I53-V92 HydrophobicContact CG1-CG1 4.33Å; I53-V92 HydrophobicContact CG1-CG2 4.41Å; I53-V92 HydrophobicContact CG2-CG2 3.98Å; L54-V92 HydrophobicContact CD2-CG1 4.1Å; T88-V92 PolarHBondContact O-N 2.79Å; V89-V92 PolarHBondContact O-N 2.74Å; V89-V92 VanDerWaalsContact O-N 3.16Å; A90-V92 PolarHBondContact O-N 3.38Å; V92-R94 PolarHBondContact O-N 2.9Å; V92-T95 WeakPolarHBondContact O-CB 2.92Å; V92-T95 PolarHBondContact O-N 3.14Å; V92-T95 VanDerWaalsContact O-N 3.11Å; V92-V96 HydrophobicContact CG1-CG1 4.46Å; V92-V96 PolarHBondContact O-N 2.91Å
93A98.9Very high98.6Very high0 Ų043.2 Ų43.20%025%0.249CC..Hα-helixtrans-58.2-46.9178.700000112.5F7 V74 Y76 V89 A90 T95 V96 A97 L104F7-A93 HydrophobicContact CB-CB 4.48Å; F7-A93 HydrophobicContact CD2-CB 4.21Å; F7-A93 HydrophobicContact CG-CB 4.25Å; V74-A93 HydrophobicContact CG1-CB 4.09Å; Y76-A93 HydrophobicContact CD1-CB 4.27Å; Y76-A93 HydrophobicContact CG-CB 3.94Å; V89-A93 PolarHBondContact O-N 2.8Å; A90-A93 PolarHBondContact O-N 2.95Å; A93-T95 VanDerWaalsContact C-N 3.3Å; A93-T95 PolarHBondContact O-N 3.1Å; A93-V96 VanDerWaalsContact O-CG2 3.24Å; A93-V96 WeakPolarHBondContact O-CG2 3.26Å; A93-V96 PolarHBondContact O-N 2.68Å; A93-A97 VanDerWaalsContact O-CB 3.3Å; A93-A97 WeakPolarHBondContact O-CB 3.36Å; A93-A97 PolarHBondContact O-N 3.44Å; A93-L104 HydrophobicContact CB-CD1 4.26Å
94R98.8Very high98.6Very high75 Ų7542.9 Ų42.928%0.28324%0.244SC..Hα-helixtrans-62-37.8175.1-69.1172.3-164.8-170.65.3112.4A90 V92 Q98 L104 L315 S318 W319A90-R94 WeakPolarHBondContact O-CB 3.21Å; A90-R94 WeakPolarHBondContact O-CG 3.25Å; A90-R94 PolarHBondContact O-N 2.76Å; V92-R94 PolarHBondContact O-N 2.9Å; R94-Q98 WeakPolarHBondContact O-CG 3.32Å; R94-Q98 PolarHBondContact O-N 3.24Å; R94-Q98 VanDerWaalsContact O-N 3.17Å; R94-Q98 PolarHBondContact O-NE2 3.45Å; R94-L104 HydrophobicContact CG-CD2 3.71Å; R94-L315 HydrophobicContact CB-CD2 4.22Å; R94-L315 HydrophobicContact CG-CD2 4.16Å; R94-S318 WeakPolarHBondContact CD-OG 3.37Å; R94-S318 PolarHBondContact NE-O 3.05Å; R94-S318 PolarHBondContact NE-OG 3.46Å; R94-S318 PolarHBondContact NH2-O 2.96Å; R94-W319 VanDerWaalsContact NH2-CA 3.3Å
95T98.8Very high98.6Very high63 Ų6340.8 Ų40.839%0.38723%0.227SC..Hα-helixtrans-67.1-48-179.7-58.90000110.5L91 V92 A93 Q98 L99L91-T95 WeakPolarHBondContact O-CB 3.15Å; L91-T95 PolarHBondContact O-N 2.98Å; L91-T95 PolarHBondContact O-OG1 3.33Å; V92-T95 WeakPolarHBondContact O-CB 2.92Å; V92-T95 PolarHBondContact O-N 3.14Å; V92-T95 VanDerWaalsContact O-N 3.11Å; A93-T95 VanDerWaalsContact C-N 3.3Å; A93-T95 PolarHBondContact O-N 3.1Å; T95-Q98 PolarHBondContact O-N 3.48Å; T95-L99 HydrophobicContact CG2-CD1 3.91Å; T95-L99 HydrophobicContact CG2-CG 4.39Å; T95-L99 WeakPolarHBondContact O-CB 3.42Å; T95-L99 VanDerWaalsContact O-CG 3.31Å; T95-L99 WeakPolarHBondContact O-CG 3.45Å; T95-L99 PolarHBondContact O-N 2.71Å
96V98.6Very high98.6Very high11 Ų1140.8 Ų40.87%0.06723%0.227CC..Hα-helixtrans-68.3-37.9179.6-59.80000112F7 L57 V74 V92 A93 Q98 L99 W100F7-V96 HydrophobicContact CE2-CG2 4.09Å; F7-V96 HydrophobicContact CZ-CG2 3.83Å; L57-V96 HydrophobicContact CD2-CG1 3.9Å; V74-V96 HydrophobicContact CG1-CG2 4.02Å; V74-V96 HydrophobicContact CG2-CG2 4.21Å; V92-V96 HydrophobicContact CG1-CG1 4.46Å; V92-V96 PolarHBondContact O-N 2.91Å; A93-V96 VanDerWaalsContact O-CG2 3.24Å; A93-V96 WeakPolarHBondContact O-CG2 3.26Å; A93-V96 PolarHBondContact O-N 2.68Å; V96-Q98 VanDerWaalsContact C-N 3.33Å; V96-Q98 PolarHBondContact O-N 3.38Å; V96-L99 PolarHBondContact O-N 3.44Å; V96-W100 HydrophobicContact CB-CD2 3.99Å; V96-W100 HydrophobicContact CB-CE3 4.03Å; V96-W100 HydrophobicContact CB-CH2 3.88Å; V96-W100 HydrophobicContact CB-CZ2 3.8Å; V96-W100 HydrophobicContact CB-CZ3 3.97Å; V96-W100 HydrophobicContact CG1-CH2 4.21Å; V96-W100 HydrophobicContact CG1-CZ2 3.94Å; V96-W100 HydrophobicContact CG2-CE3 4.33Å; V96-W100 HydrophobicContact CG2-CH2 4.22Å; V96-W100 HydrophobicContact CG2-CZ3 4.05Å; V96-W100 VanDerWaalsContact O-CB 3.28Å; V96-W100 WeakPolarHBondContact O-CB 3.43Å; V96-W100 PolarHBondContact O-N 2.86Å
97A98.8Very high98.6Very high5 Ų540.8 Ų40.84%0.04123%0.226CC..Hα-helixtrans-57.7-46.2175.300000111.6V74 A93 G101 K102 L104V74-A97 HydrophobicContact CB-CB 4.11Å; V74-A97 HydrophobicContact CG1-CB 4.48Å; V74-A97 HydrophobicContact CG2-CB 4.11Å; A93-A97 VanDerWaalsContact O-CB 3.3Å; A93-A97 WeakPolarHBondContact O-CB 3.36Å; A93-A97 PolarHBondContact O-N 3.44Å; A97-G101 PolarHBondContact O-N 3.34Å; A97-K102 PolarHBondContact O-N 3.35Å; A97-L104 HydrophobicContact CB-CB 4.26Å; A97-L104 HydrophobicContact CB-CD1 3.96Å
98Q98.7Very high98.7Very high120 Ų12037.1 Ų37.156%0.56120%0.204SC*.Hα-helixtrans-66.8-46.4176.3-73.8172.397.900112.7R94 T95 V96 W100 G101 L315R94-Q98 WeakPolarHBondContact O-CG 3.32Å; R94-Q98 PolarHBondContact O-N 3.24Å; R94-Q98 VanDerWaalsContact O-N 3.17Å; R94-Q98 PolarHBondContact O-NE2 3.45Å; T95-Q98 PolarHBondContact O-N 3.48Å; V96-Q98 VanDerWaalsContact C-N 3.33Å; V96-Q98 PolarHBondContact O-N 3.38Å; Q98-W100 VanDerWaalsContact C-N 3.25Å; Q98-W100 PolarHBondContact O-N 2.89Å; Q98-G101 PolarHBondContact O-N 2.79Å; Q98-L315 HydrophobicContact CG-CD1 3.74Å; Q98-L315 HydrophobicContact CG-CD2 4.32Å
99L98.7Very high98.7Very high133 Ų13336.8 Ų36.870%0.69620%0.202SC*.Hα-helixtrans-62.1-34179.9-74.3174.8000112.6T95 V96T95-L99 HydrophobicContact CG2-CD1 3.91Å; T95-L99 HydrophobicContact CG2-CG 4.39Å; T95-L99 WeakPolarHBondContact O-CB 3.42Å; T95-L99 VanDerWaalsContact O-CG 3.31Å; T95-L99 WeakPolarHBondContact O-CG 3.45Å; T95-L99 PolarHBondContact O-N 2.71Å; V96-L99 PolarHBondContact O-N 3.44Å
100W98.5Very high98.7Very high55 Ų5536.8 Ų36.821%0.20820%0.202CC..Hα-helixtrans-94.5-4.8-177.7-54.6-17.6000113I5 L57 L61 P68 I71 V74 V96 Q98 K102I5-W100 HydrophobicContact CD1-CH2 4.45Å; I5-W100 HydrophobicContact CG2-CZ3 4.24Å; L57-W100 HydrophobicContact CD1-CH2 4.18Å; L61-W100 HydrophobicContact CD1-CH2 4.32Å; L61-W100 HydrophobicContact CD1-CZ2 4.46Å; P68-W100 HydrophobicContact CB-CD2 3.77Å; P68-W100 HydrophobicContact CB-CE3 4.44Å; P68-W100 HydrophobicContact CB-CG 3.87Å; P68-W100 HydrophobicContact CB-CZ2 4.09Å; P68-W100 HydrophobicContact CG-CZ2 3.98Å; I71-W100 HydrophobicContact CG1-CZ3 4.37Å; V74-W100 HydrophobicContact CG2-CE3 4.14Å; V74-W100 HydrophobicContact CG2-CZ3 4.29Å; V96-W100 HydrophobicContact CB-CD2 3.99Å; V96-W100 HydrophobicContact CB-CE3 4.03Å; V96-W100 HydrophobicContact CB-CH2 3.88Å; V96-W100 HydrophobicContact CB-CZ2 3.8Å; V96-W100 HydrophobicContact CB-CZ3 3.97Å; V96-W100 HydrophobicContact CG1-CH2 4.21Å; V96-W100 HydrophobicContact CG1-CZ2 3.94Å; V96-W100 HydrophobicContact CG2-CE3 4.33Å; V96-W100 HydrophobicContact CG2-CH2 4.22Å; V96-W100 HydrophobicContact CG2-CZ3 4.05Å; V96-W100 VanDerWaalsContact O-CB 3.28Å; V96-W100 WeakPolarHBondContact O-CB 3.43Å; V96-W100 PolarHBondContact O-N 2.86Å; Q98-W100 VanDerWaalsContact C-N 3.25Å; Q98-W100 PolarHBondContact O-N 2.89Å; W100-K102 VanDerWaalsContact C-N 3.31Å; W100-K102 HydrophobicContact CB-CG 3.69Å; W100-K102 WeakPolarHBondContact O-CE 3.26Å; W100-K102 WeakPolarHBondContact O-CG 3.28Å; W100-K102 PolarHBondContact O-N 3.37Å
101G98.1Very high98.6Very high66 Ų6636.8 Ų36.868%0.6820%0.202SC*.THydrogen-bonded Turntrans60.838.6-175.400000112.7A97 Q98A97-G101 PolarHBondContact O-N 3.34Å; Q98-G101 PolarHBondContact O-N 2.79Å
102K98.4Very high98.6Very high49 Ų4931.4 Ų31.421%0.21317%0.174CC..  trans-111.3143.4-175.5-56.1-57.9178.5153.20111.4A69 I71 V74 A97 W100A69-K102 PolarHBondContact O-NZ 3.28Å; I71-K102 WeakPolarHBondContact O-CD 3.42Å; I71-K102 WeakPolarHBondContact O-CE 3.46Å; I71-K102 PolarHBondContact O-NZ 2.95Å; V74-K102 HydrophobicContact CG2-CB 4.33Å; A97-K102 PolarHBondContact O-N 3.35Å; W100-K102 VanDerWaalsContact C-N 3.31Å; W100-K102 HydrophobicContact CB-CG 3.69Å; W100-K102 WeakPolarHBondContact O-CE 3.26Å; W100-K102 WeakPolarHBondContact O-CG 3.28Å; W100-K102 PolarHBondContact O-N 3.37Å
103P98.4Very high98.6Very high49 Ų4930.9 Ų30.932%0.31817%0.17SC..  trans-56150.1172.8-23.933.6000112.4D72 C73 V74 F307 V312D72-P103 WeakPolarHBondContact O-CD 3.37Å; C73-P103 PolarHBondContact SG-O 3.41Å; V74-P103 PolarHBondContact N-O 3.33Å; P103-F307 HydrophobicContact CB-CE2 4.14Å; P103-F307 HydrophobicContact CG-CE2 4.04Å; P103-V312 HydrophobicContact CB-CG1 4.13Å; P103-V312 HydrophobicContact CB-CG2 4.47Å
104L98.8Very high98.6Very high7 Ų730.9 Ų30.94%0.03717%0.17CC..EExtended strand (participates in β ladder)trans-111.5143.8179.3-173.271.4000110.6V74 Y76 A93 R94 A97 T313 L315V74-L104 HydrophobicContact CB-CD1 4.18Å; V74-L104 HydrophobicContact CG1-CD1 3.92Å; V74-L104 CarbonylContact O-C 3.59Å; V74-L104 VanDerWaalsContact O-CA 3.3Å; V74-L104 WeakPolarHBondContact O-CA 3.44Å; Y76-L104 HydrophobicContact CD1-CD1 3.69Å; Y76-L104 HydrophobicContact CD1-CD2 4.34Å; Y76-L104 HydrophobicContact CD1-CG 3.98Å; Y76-L104 HydrophobicContact CE1-CD1 4.01Å; Y76-L104 HydrophobicContact CE1-CD2 3.83Å; Y76-L104 HydrophobicContact CE1-CG 3.78Å; A93-L104 HydrophobicContact CB-CD1 4.26Å; R94-L104 HydrophobicContact CG-CD2 3.71Å; A97-L104 HydrophobicContact CB-CB 4.26Å; A97-L104 HydrophobicContact CB-CD1 3.96Å; L104-T313 WeakPolarHBondContact O-CB 3.47Å; L104-T313 PolarHBondContact O-N 3.22Å; L104-L315 HydrophobicContact CD2-CD2 4.18Å
105L98.6Very high98.6Very high0 Ų027.6 Ų27.60%016%0.158CC..EExtended strand (participates in β ladder)trans-129.6117.9177.7-61.4165.7000111.3C73 V74 A75 Y76 V107 G303 M306 F307 Y311C73-L105 HydrophobicContact CB-CD1 4.39Å; C73-L105 WeakPolarHBondContact SG-CD1 3.2Å; C73-L105 WeakPolarHBondContact SG-CG 3.45Å; V74-L105 PolarHBondContact O-N 3.41Å; A75-L105 WeakPolarHBondContact CA-O 3.41Å; A75-L105 HydrophobicContact CB-CB 4.12Å; A75-L105 HydrophobicContact CB-CD1 4.42Å; Y76-L105 WeakPolarHBondContact CD1-O 3.3Å; Y76-L105 WeakPolarHBondContact CE1-O 3.36Å; Y76-L105 PolarHBondContact N-O 2.83Å; L105-V107 HydrophobicContact CB-CG2 4.36Å; L105-V107 PolarHBondContact O-N 3.36Å; L105-G303 WeakPolarHBondContact CD1-O 3.32Å; L105-M306 HydrophobicContact CD2-CB 4.47Å; L105-F307 HydrophobicContact CD1-CB 3.97Å; L105-Y311 HydrophobicContact CD2-CD1 4.08Å; L105-Y311 WeakPolarHBondContact CD2-O 3.46Å
106G98.6Very high98.6Very high0 Ų024.7 Ų24.70%014%0.14CC..EExtended strand (participates in β ladder)trans-84.9102.7170.400000111.3Y76 T313Y76-G106 VanDerWaalsContact CE1-CA 3.49Å; G106-T313 PolarHBondContact N-OG1 2.95Å
107V98.8Very high98.5Very high0 Ų024.2 Ų24.20%014%0.137CC..EExtended strand (participates in β ladder)trans-94.8139.1-173.7178.60000111.1A75 Y76 K78 L105 I299 A302 M306A75-V107 HydrophobicContact CB-CG2 3.94Å; Y76-V107 PolarHBondContact O-N 3Å; K78-V107 PolarHBondContact N-O 3.25Å; L105-V107 HydrophobicContact CB-CG2 4.36Å; L105-V107 PolarHBondContact O-N 3.36Å; V107-I299 HydrophobicContact CB-CD1 4.41Å; V107-I299 HydrophobicContact CB-CG2 4.06Å; V107-I299 HydrophobicContact CG1-CD1 3.98Å; V107-I299 HydrophobicContact CG1-CG2 4.43Å; V107-I299 HydrophobicContact CG2-CG2 4.09Å; V107-A302 HydrophobicContact CG1-CB 3.63Å; V107-M306 HydrophobicContact CG2-SD 3.97Å
108N98.8Very high98.5Very high2 Ų225.8 Ų25.81%0.01114%0.142CC..EExtended strand (participates in β ladder)trans-74.8126.9168.8-179.3-72.6000110.1G79 C110 I111 G112 Y324 R325 V329G79-N108 CarbonylContact O-C 3.59Å; G79-N108 WeakPolarHBondContact O-CA 3.22Å; N108-C110 VanDerWaalsContact C-N 3.35Å; N108-C110 PolarHBondContact O-N 2.8Å; N108-C110 WeakPolarHBondContact OD1-CA 3.43Å; N108-C110 VanDerWaalsContact OD1-CB 3.27Å; N108-C110 WeakPolarHBondContact OD1-CB 3.2Å; N108-C110 PolarHBondContact OD1-N 3.32Å; N108-I111 HydrophobicContact CB-CB 4.16Å; N108-I111 HydrophobicContact CB-CD1 4.09Å; N108-I111 HydrophobicContact CB-CG1 4.06Å; N108-I111 PolarHBondContact O-N 2.95Å; N108-I111 VanDerWaalsContact O-N 3.15Å; N108-I111 PolarHBondContact OD1-N 3.38Å; N108-G112 PolarHBondContact O-N 3.47Å; N108-Y324 HydrophobicContact CB-CD1 3.74Å; N108-Y324 HydrophobicContact CB-CE1 3.66Å; N108-Y324 VanDerWaalsContact ND2-CD1 3.34Å; N108-Y324 WeakPolarHBondContact ND2-CD1 3.23Å; N108-Y324 VanDerWaalsContact ND2-CG 3.28Å; N108-Y324 PolarHBondContact ND2-O 3.41Å; N108-R325 PolarHBondContact ND2-O 3.13Å; N108-V329 HydrophobicContact CB-CG2 3.78Å
109H98.8Very high98.4Very high5 Ų521.8 Ų21.82%0.02312%0.124CC..Hα-helixtrans-57.8-43.3-176.2177.779.4000112.8E8 S10 T77 G79 I111 G112 H113 Y130 D294 M298E8-H109 IonicContact OE1-CE1 3.44Å; E8-H109 IonicContact OE1-ND1 3.65Å; E8-H109 IonicContact OE2-CE1 3.75Å; E8-H109 IonicContact OE2-ND1 3.81Å; E8-H109 PolarHBondContact OE2-ND1 3.2Å; S10-H109 PolarHBondContact OG-CE1 3.23Å; S10-H109 PolarHBondContact OG-ND1 2.9Å; T77-H109 HydrophobicContact CG2-CB 3.64Å; G79-H109 PolarHBondContact O-N 2.68Å; H109-I111 VanDerWaalsContact C-N 3.33Å; H109-I111 PolarHBondContact O-N 3.23Å; H109-G112 PolarHBondContact O-N 3.47Å; H109-H113 AromaticContact CD2-CD2 3.92Å; H109-H113 AromaticContact CE1-CD2 3.81Å; H109-H113 AromaticContact CE1-NE2 3.56Å; H109-H113 AromaticContact NE2-CD2 3.44Å; H109-H113 PolarHBondContact NE2-CD2 3.34Å; H109-H113 AromaticContact NE2-NE2 3.36Å; H109-H113 PolarHBondContact NE2-NE2 2.85Å; H109-H113 PolarHBondContact O-N 2.9Å; H109-Y130 PolarHBondContact CD2-OH 3.09Å; H109-Y130 PolarHBondContact NE2-OH 3.3Å; H109-D294 IonicContact CE1-OD1 2.94Å; H109-D294 PolarHBondContact CE1-OD1 2.88Å; H109-D294 VanDerWaalsContact CE1-OD1 3.32Å; H109-D294 IonicContact NE2-OD1 2.83Å; H109-M298 WeakPolarHBondContact CE1-CE 3.31Å; H109-M298 VanDerWaalsContact ND1-CE 3.3Å; H109-M298 WeakPolarHBondContact ND1-CE 3.29Å
110C98.5Very high98.3Very high1 Ų118.3 Ų18.31%0.00711%0.106CC..Hα-helixtrans-63.5-42.4178.8-490000110.7N108 G112 H113 I114 Y130 T326N108-C110 VanDerWaalsContact C-N 3.35Å; N108-C110 PolarHBondContact O-N 2.8Å; N108-C110 WeakPolarHBondContact OD1-CA 3.43Å; N108-C110 VanDerWaalsContact OD1-CB 3.27Å; N108-C110 WeakPolarHBondContact OD1-CB 3.2Å; N108-C110 PolarHBondContact OD1-N 3.32Å; C110-G112 VanDerWaalsContact C-N 3.32Å; C110-G112 PolarHBondContact O-N 3.42Å; C110-H113 WeakPolarHBondContact O-CB 3.42Å; C110-H113 PolarHBondContact O-N 3.48Å; C110-I114 WeakPolarHBondContact O-CG1 3.46Å; C110-I114 PolarHBondContact O-N 2.85Å; C110-Y130 HydrophobicContact CB-CD1 4.03Å; C110-Y130 HydrophobicContact CB-CE1 3.85Å; C110-Y130 WeakPolarHBondContact SG-CE1 3.25Å; C110-T326 HydrophobicContact CB-CG2 4.01Å; C110-T326 VanDerWaalsContact CB-OG1 3.3Å; C110-T326 WeakPolarHBondContact CB-OG1 3.43Å; C110-T326 PolarHBondContact SG-OG1 3.39Å; C110-T326 VanDerWaalsContact SG-OG1 3.41Å
111I98.6Very high98.3Very high2 Ų216.8 Ų16.81%0.0110%0.103CC..Hα-helixtrans-65.7-36.4176.8-63.1-175.8000111.1N108 H109 H113 I114 E115 Y146 A302 T326 V329 W333N108-I111 HydrophobicContact CB-CB 4.16Å; N108-I111 HydrophobicContact CB-CD1 4.09Å; N108-I111 HydrophobicContact CB-CG1 4.06Å; N108-I111 PolarHBondContact O-N 2.95Å; N108-I111 VanDerWaalsContact O-N 3.15Å; N108-I111 PolarHBondContact OD1-N 3.38Å; H109-I111 VanDerWaalsContact C-N 3.33Å; H109-I111 PolarHBondContact O-N 3.23Å; I111-H113 VanDerWaalsContact C-N 3.32Å; I111-H113 PolarHBondContact O-N 2.91Å; I111-I114 PolarHBondContact O-N 2.86Å; I111-I114 VanDerWaalsContact O-N 3.17Å; I111-E115 HydrophobicContact CG2-CG 3.83Å; I111-E115 WeakPolarHBondContact O-CG 3.28Å; I111-E115 PolarHBondContact O-N 3.18Å; I111-Y146 HydrophobicContact CD1-CD2 4.04Å; I111-Y146 HydrophobicContact CG1-CD2 3.98Å; I111-Y146 HydrophobicContact CG2-CD2 4.45Å; I111-Y146 HydrophobicContact CG2-CE2 4.28Å; I111-A302 HydrophobicContact CG2-CB 4.34Å; I111-T326 HydrophobicContact CG1-CG2 4.11Å; I111-V329 HydrophobicContact CD1-CB 3.46Å; I111-V329 VanDerWaalsContact CD1-CB 3.46Å; I111-V329 HydrophobicContact CD1-CG1 3.63Å; I111-V329 HydrophobicContact CD1-CG2 3.68Å; I111-W333 HydrophobicContact CG2-CH2 4.08Å; I111-W333 HydrophobicContact CG2-CZ2 3.76Å
112G98.6Very high98.2Very high0 Ų020.7 Ų20.70%010%0.103CC..Hα-helixtrans-52.5-49.6170.700000112.3N108 H109 C110 M116 M298N108-G112 PolarHBondContact O-N 3.47Å; H109-G112 PolarHBondContact O-N 3.47Å; C110-G112 VanDerWaalsContact C-N 3.32Å; C110-G112 PolarHBondContact O-N 3.42Å; G112-M116 WeakPolarHBondContact O-CB 3.48Å; G112-M116 PolarHBondContact O-N 3.26Å; G112-M298 WeakPolarHBondContact CA-O 3.47Å; G112-M298 WeakPolarHBondContact O-CB 3.29Å
113H98.6Very high98.1Very high5 Ų518.4 Ų18.42%0.0239%0.094CC..Hα-helixtrans-59.8-46.2175-87-70.6000112.5H109 C110 I111 G117 Y130 V260 C292 D294H109-H113 AromaticContact CD2-CD2 3.92Å; H109-H113 AromaticContact CE1-CD2 3.81Å; H109-H113 AromaticContact CE1-NE2 3.56Å; H109-H113 AromaticContact NE2-CD2 3.44Å; H109-H113 PolarHBondContact NE2-CD2 3.34Å; H109-H113 AromaticContact NE2-NE2 3.36Å; H109-H113 PolarHBondContact NE2-NE2 2.85Å; H109-H113 PolarHBondContact O-N 2.9Å; C110-H113 WeakPolarHBondContact O-CB 3.42Å; C110-H113 PolarHBondContact O-N 3.48Å; I111-H113 VanDerWaalsContact C-N 3.32Å; I111-H113 PolarHBondContact O-N 2.91Å; H113-G117 PolarHBondContact O-N 3.23Å; H113-Y130 HydrophobicContact CB-CD2 4.4Å; H113-Y130 HydrophobicContact CB-CE2 4.16Å; H113-Y130 AromaticContact CD2-CE2 3.56Å; H113-Y130 AromaticContact CD2-CZ 3.78Å; H113-Y130 AromaticContact CG-CE2 3.78Å; H113-V260 HydrophobicContact CB-CB 4.1Å; H113-V260 HydrophobicContact CB-CG2 4.08Å; H113-V260 WeakPolarHBondContact O-CG1 2.95Å; H113-C292 PolarHBondContact CE1-O 3.11Å; H113-D294 IonicContact CE1-OD1 2.95Å; H113-D294 PolarHBondContact CE1-OD1 2.81Å; H113-D294 IonicContact NE2-OD1 3.6Å; H113-D294 PolarHBondContact NE2-OD1 3.34Å
114I98.5Very high97.8Very high1 Ų121.4 Ų21.41%0.00511%0.107CC..Hα-helixtrans-62.5-52.9-179.7-62.2164.8000111C110 I111 M116 G117 R118 V128 I139 Y146 T326C110-I114 WeakPolarHBondContact O-CG1 3.46Å; C110-I114 PolarHBondContact O-N 2.85Å; I111-I114 PolarHBondContact O-N 2.86Å; I111-I114 VanDerWaalsContact O-N 3.17Å; I114-M116 PolarHBondContact O-N 2.84Å; I114-G117 PolarHBondContact O-N 3.38Å; I114-G117 VanDerWaalsContact O-N 3.16Å; I114-R118 HydrophobicContact CG2-CG 4.33Å; I114-R118 VanDerWaalsContact O-CG 3.27Å; I114-R118 WeakPolarHBondContact O-CG 3.46Å; I114-R118 PolarHBondContact O-N 3.32Å; I114-V128 HydrophobicContact CG1-CG1 4.16Å; I114-V128 HydrophobicContact CG2-CG2 4.28Å; I114-I139 HydrophobicContact CD1-CD1 4.23Å; I114-I139 HydrophobicContact CD1-CG2 4.04Å; I114-Y146 HydrophobicContact CD1-CD1 3.97Å; I114-Y146 HydrophobicContact CD1-CD2 4.3Å; I114-Y146 HydrophobicContact CD1-CE1 4.36Å; I114-Y146 HydrophobicContact CD1-CG 3.94Å; I114-Y146 HydrophobicContact CG2-CD1 4.28Å; I114-Y146 HydrophobicContact CG2-CE1 3.59Å; I114-Y146 HydrophobicContact CG2-CE2 4.28Å; I114-T326 HydrophobicContact CD1-CG2 4.13Å
115E98.4Very high97.6Very high5 Ų524.9 Ų24.92%0.02313%0.126CC..Hα-helixtrans-67.4-35.7-175.1-64.7-57.1158.400112.3I111 R118 L119 Y146 Q301 A302 W333I111-E115 HydrophobicContact CG2-CG 3.83Å; I111-E115 WeakPolarHBondContact O-CG 3.28Å; I111-E115 PolarHBondContact O-N 3.18Å; E115-R118 PolarHBondContact O-N 3.12Å; E115-R118 IonicContact OE2-NE 3.66Å; E115-L119 WeakPolarHBondContact O-CB 3.28Å; E115-L119 PolarHBondContact O-N 3.04Å; E115-Y146 WeakPolarHBondContact OE1-CE2 3.35Å; E115-Y146 VanDerWaalsContact OE1-CZ 3.27Å; E115-Y146 PolarHBondContact OE1-OH 2.91Å; E115-Q301 HydrophobicContact CB-CG 4.27Å; E115-A302 HydrophobicContact CB-CB 4.17Å; E115-A302 HydrophobicContact CG-CB 4.19Å; E115-W333 VanDerWaalsContact CD-NE1 3.31Å; E115-W333 HydrophobicContact CG-CZ2 4.28Å; E115-W333 PolarHBondContact OE1-NE1 3.24Å
116M98.3Very high97.6Very high2 Ų225.2 Ų25.21%0.0113%0.127CC..Hα-helixtrans-65.5-44171-178.153.470.100111.6I19 G112 I114 R118 L119 I120 F291 A297 M298 Q301I19-M116 HydrophobicContact CD1-CE 4.26Å; G112-M116 WeakPolarHBondContact O-CB 3.48Å; G112-M116 PolarHBondContact O-N 3.26Å; I114-M116 PolarHBondContact O-N 2.84Å; M116-R118 VanDerWaalsContact C-N 3.32Å; M116-R118 PolarHBondContact O-N 2.69Å; M116-L119 PolarHBondContact O-N 3.08Å; M116-L119 HydrophobicContact SD-CD2 4.22Å; M116-I120 HydrophobicContact CG-CG1 4.32Å; M116-I120 WeakPolarHBondContact O-CG1 3.39Å; M116-I120 PolarHBondContact O-N 3.39Å; M116-I120 HydrophobicContact SD-CD1 3.99Å; M116-I120 HydrophobicContact SD-CG1 3.55Å; M116-I120 VanDerWaalsContact SD-CG1 3.55Å; M116-F291 HydrophobicContact CE-CD1 4.33Å; M116-F291 HydrophobicContact CG-CB 3.97Å; M116-F291 HydrophobicContact CG-CD1 3.98Å; M116-F291 HydrophobicContact CG-CG 4.22Å; M116-F291 HydrophobicContact SD-CD1 3.65Å; M116-F291 HydrophobicContact SD-CE1 4.05Å; M116-F291 HydrophobicContact SD-CG 4.21Å; M116-A297 HydrophobicContact CE-CB 3.73Å; M116-A297 WeakPolarHBondContact CE-O 3.3Å; M116-M298 HydrophobicContact CB-CB 3.63Å; M116-M298 HydrophobicContact CE-CB 4.37Å; M116-M298 HydrophobicContact CG-CB 4.02Å; M116-Q301 HydrophobicContact CE-CB 3.77Å; M116-Q301 HydrophobicContact CE-CG 4.49Å
117G97.9Very high97.6Very high1 Ų125.3 Ų25.31%0.0113%0.128CC..Hα-helixtrans-57.4-45.8175.600000111.9H113 I114 T121H113-G117 PolarHBondContact O-N 3.23Å; I114-G117 PolarHBondContact O-N 3.38Å; I114-G117 VanDerWaalsContact O-N 3.16Å; G117-T121 WeakPolarHBondContact O-CB 3.44Å; G117-T121 WeakPolarHBondContact O-CG2 3.48Å; G117-T121 PolarHBondContact O-N 3.08Å; G117-T121 PolarHBondContact O-OG1 3.19Å
118R97.9Very high97.6Very high39 Ų3925.4 Ų25.415%0.14713%0.129CC..Hα-helixtrans-60.6-47.6175.5-68.9173.76067.83.9112.4I114 E115 M116 Q122 A123 N124 Y146 L258 R334I114-R118 HydrophobicContact CG2-CG 4.33Å; I114-R118 VanDerWaalsContact O-CG 3.27Å; I114-R118 WeakPolarHBondContact O-CG 3.46Å; I114-R118 PolarHBondContact O-N 3.32Å; E115-R118 PolarHBondContact O-N 3.12Å; E115-R118 IonicContact OE2-NE 3.66Å; M116-R118 VanDerWaalsContact C-N 3.32Å; M116-R118 PolarHBondContact O-N 2.69Å; R118-Q122 WeakPolarHBondContact O-CA 3.09Å; R118-Q122 PolarHBondContact O-N 3.05Å; R118-A123 PolarHBondContact NH1-O 3.22Å; R118-A123 VanDerWaalsContact NH1-O 3.08Å; R118-N124 PolarHBondContact NH1-O 2.88Å; R118-N124 PolarHBondContact NH2-O 3.39Å; R118-N124 VanDerWaalsContact NH2-O 3.08Å; R118-Y146 WeakPolarHBondContact CD-OH 3.32Å; R118-L258 HydrophobicContact CG-CD2 4.14Å; R118-R334 VanDerWaalsContact NH1-NH1 3.18Å; R118-R334 VanDerWaalsContact NH2-CZ 3.34Å
119L97.1Very high97.6Very high35 Ų3525.3 Ų25.318%0.18313%0.128CC..Hα-helixtrans-58.6-50.7178.7175.670.6000111.6G22 E115 M116 Q122 Q301G22-L119 WeakPolarHBondContact O-CD2 3.43Å; E115-L119 WeakPolarHBondContact O-CB 3.28Å; E115-L119 PolarHBondContact O-N 3.04Å; M116-L119 PolarHBondContact O-N 3.08Å; M116-L119 HydrophobicContact SD-CD2 4.22Å; L119-Q122 PolarHBondContact O-NE2 3.4Å; L119-Q301 HydrophobicContact CB-CG 4.24Å; L119-Q301 HydrophobicContact CD2-CG 3.93Å
120I97.1Very high97.6Very high60 Ų6025 Ų2531%0.30813%0.127SC..Hα-helixtrans-73.6-37.2-172.7-62.9-60.3000111.8M116 T287 F291M116-I120 HydrophobicContact CG-CG1 4.32Å; M116-I120 WeakPolarHBondContact O-CG1 3.39Å; M116-I120 PolarHBondContact O-N 3.39Å; M116-I120 HydrophobicContact SD-CD1 3.99Å; M116-I120 HydrophobicContact SD-CG1 3.55Å; M116-I120 VanDerWaalsContact SD-CG1 3.55Å; I120-T287 HydrophobicContact CB-CG2 4.1Å; I120-T287 HydrophobicContact CG2-CG2 4.19Å; I120-F291 HydrophobicContact CD1-CD2 4.07Å; I120-F291 HydrophobicContact CD1-CE1 4.25Å; I120-F291 HydrophobicContact CD1-CE2 3.69Å; I120-F291 HydrophobicContact CD1-CG 4.5Å; I120-F291 HydrophobicContact CD1-CZ 3.79Å; I120-F291 HydrophobicContact CG1-CD1 4.45Å; I120-F291 HydrophobicContact CG1-CD2 3.85Å; I120-F291 HydrophobicContact CG1-CE2 4.01Å; I120-F291 HydrophobicContact CG1-CG 4.07Å; I120-F291 HydrophobicContact CG1-CZ 4.39Å; I120-F291 HydrophobicContact CG2-CD2 4.17Å; I120-F291 HydrophobicContact CG2-CE2 4.4Å
121T96.6Very high97.6Very high24 Ų2425 Ų2515%0.14713%0.127CC..Hα-helixtrans-96.6-11.8-173.5680000113.8G117 A123 L258 F285 T287G117-T121 WeakPolarHBondContact O-CB 3.44Å; G117-T121 WeakPolarHBondContact O-CG2 3.48Å; G117-T121 PolarHBondContact O-N 3.08Å; G117-T121 PolarHBondContact O-OG1 3.19Å; T121-A123 PolarHBondContact O-N 2.67Å; T121-A123 WeakPolarHBondContact OG1-CB 3.29Å; T121-A123 PolarHBondContact OG1-N 2.97Å; T121-L258 HydrophobicContact CG2-CD1 4.17Å; T121-F285 HydrophobicContact CG2-CB 4.15Å; T121-F285 WeakPolarHBondContact O-CD1 3.43Å; T121-F285 WeakPolarHBondContact O-CE1 3.45Å; T121-T287 HydrophobicContact CG2-CG2 3.89Å
122Q96.5Very high97.5Very high147 Ų14725.2 Ų25.269%0.68713%0.129SC*.  trans59.724-173.4-55.7-69.3-52.500113.3R118 L119 N124R118-Q122 WeakPolarHBondContact O-CA 3.09Å; R118-Q122 PolarHBondContact O-N 3.05Å; L119-Q122 PolarHBondContact O-NE2 3.4Å; Q122-N124 PolarHBondContact O-N 3.08Å
123A96.6Very high97.2Very high2 Ų227 Ų272%0.01715%0.147CC..  trans-63.3127.3174.700000110.5R118 T121 P126 L258 F285R118-A123 PolarHBondContact NH1-O 3.22Å; R118-A123 VanDerWaalsContact NH1-O 3.08Å; T121-A123 PolarHBondContact O-N 2.67Å; T121-A123 WeakPolarHBondContact OG1-CB 3.29Å; T121-A123 PolarHBondContact OG1-N 2.97Å; A123-P126 HydrophobicContact CB-CB 4.36Å; A123-P126 HydrophobicContact CB-CG 3.87Å; A123-L258 HydrophobicContact CB-CD2 4.44Å; A123-F285 HydrophobicContact CB-CB 4.31Å; A123-F285 HydrophobicContact CB-CD1 4.4Å; A123-F285 HydrophobicContact CB-CD2 3.75Å; A123-F285 HydrophobicContact CB-CE2 4.08Å; A123-F285 HydrophobicContact CB-CG 3.91Å
124N93.3Very high97Very high112 Ų11229.5 Ų29.560%0.59917%0.174SC*.SBendtrans-89.4-54.3-169.5-176.922.1000112.8R118 Q122 E256 R334R118-N124 PolarHBondContact NH1-O 2.88Å; R118-N124 PolarHBondContact NH2-O 3.39Å; R118-N124 VanDerWaalsContact NH2-O 3.08Å; Q122-N124 PolarHBondContact O-N 3.08Å; N124-E256 PolarHBondContact N-OE2 2.81Å; N124-R334 PolarHBondContact O-NH2 2.55Å
125N94.4Very high97Very high80 Ų8030.9 Ų30.943%0.42818%0.181SC..SBendtrans-14463.5176.2-160.538.2000112E256 R334N125-E256 PolarHBondContact N-OE2 2.91Å; N125-R334 PolarHBondContact OD1-NH2 2.87Å
126P97.9Very high97Very high6 Ų630.7 Ų30.74%0.03918%0.18CC..PPolyproline II helixtrans-75.9153.6-174.732.9-37.4000113.2A123 V128 E256 L258A123-P126 HydrophobicContact CB-CB 4.36Å; A123-P126 HydrophobicContact CB-CG 3.87Å; P126-V128 HydrophobicContact CG-CG2 4.01Å; P126-V128 PolarHBondContact O-N 2.91Å; P126-E256 CarbonylContact C-O 3.6Å; P126-E256 VanDerWaalsContact CA-O 3.31Å; P126-E256 WeakPolarHBondContact CA-O 3.36Å; P126-E256 HydrophobicContact CB-CB 3.87Å; P126-L258 HydrophobicContact CB-CB 3.61Å; P126-L258 HydrophobicContact CG-CB 3.58Å; P126-L258 HydrophobicContact CG-CD2 4.03Å; P126-L258 HydrophobicContact CG-CG 4.46Å
127T98.7Very high97.1Very high2 Ų231.2 Ų31.21%0.01218%0.183CC..EExtended strand (participates in β ladder)trans-71.8120.8151.1-62.90000106.9V138 T245 A248 M249 S254 E256 V257 L258T127-V138 HydrophobicContact CG2-CG1 3.7Å; T127-T245 HydrophobicContact CG2-CG2 4.26Å; T127-A248 HydrophobicContact CG2-CB 4.04Å; T127-M249 HydrophobicContact CG2-CG 3.99Å; T127-S254 PolarHBondContact N-OG 3.3Å; T127-S254 WeakPolarHBondContact OG1-CB 3.47Å; T127-S254 PolarHBondContact OG1-OG 3.48Å; T127-E256 PolarHBondContact N-O 2.81Å; T127-V257 CarbonylContact O-C 3.56Å; T127-V257 VanDerWaalsContact O-CA 3.27Å; T127-V257 WeakPolarHBondContact O-CA 3.35Å; T127-L258 PolarHBondContact O-N 2.85Å
128V98.8Very high97.1Very high2 Ų231.1 Ų31.11%0.01218%0.182CC..EExtended strand (participates in β ladder)trans-97.8124.4-175.7-175.10000109.9I114 P126 V138 I139 L258 V260I114-V128 HydrophobicContact CG1-CG1 4.16Å; I114-V128 HydrophobicContact CG2-CG2 4.28Å; P126-V128 HydrophobicContact CG-CG2 4.01Å; P126-V128 PolarHBondContact O-N 2.91Å; V128-V138 CarbonylContact O-C 3.58Å; V128-V138 WeakPolarHBondContact O-CA 3.5Å; V128-I139 HydrophobicContact CB-CB 4.25Å; V128-I139 PolarHBondContact N-O 3.32Å; V128-I139 PolarHBondContact O-N 3.24Å; V128-L258 CarbonylContact C-O 3.58Å; V128-L258 VanDerWaalsContact CA-O 3.26Å; V128-L258 WeakPolarHBondContact CA-O 3.3Å; V128-L258 WeakPolarHBondContact CG1-O 3.23Å; V128-L258 HydrophobicContact CG2-CB 4.32Å; V128-L258 HydrophobicContact CG2-CD2 4.34Å; V128-V260 HydrophobicContact CG1-CG2 3.56Å
129L98.8Very high97.1Very high0 Ų029.3 Ų29.30%018%0.175CC..EExtended strand (participates in β ladder)trans-95.5108.1164.217764.4000108.5V131 V138 L241 L258 I259 V260 M273L129-V131 HydrophobicContact CD1-CG1 3.74Å; L129-V131 HydrophobicContact CD2-CG1 4.28Å; L129-V131 HydrophobicContact CD2-CG2 4.47Å; L129-V131 HydrophobicContact CG-CG1 3.86Å; L129-V131 HydrophobicContact CG-CG2 4.33Å; L129-V138 HydrophobicContact CD1-CG2 4.01Å; L129-L241 HydrophobicContact CD1-CD2 4.28Å; L129-L241 HydrophobicContact CD2-CB 4.07Å; L129-L258 PolarHBondContact N-O 2.59Å; L129-I259 WeakPolarHBondContact O-CA 3.08Å; L129-V260 PolarHBondContact O-N 3.12Å; L129-M273 HydrophobicContact CD2-CE 3.47Å; L129-M273 VanDerWaalsContact CD2-CE 3.47Å
130Y98.7Very high97.2Very high0 Ų028 Ų280%017%0.17CC..EExtended strand (participates in β ladder)trans-98.7111174.6176.9-142000110.8H109 C110 H113 N135 T136 Q137 V260H109-Y130 PolarHBondContact CD2-OH 3.09Å; H109-Y130 PolarHBondContact NE2-OH 3.3Å; C110-Y130 HydrophobicContact CB-CD1 4.03Å; C110-Y130 HydrophobicContact CB-CE1 3.85Å; C110-Y130 WeakPolarHBondContact SG-CE1 3.25Å; H113-Y130 HydrophobicContact CB-CD2 4.4Å; H113-Y130 HydrophobicContact CB-CE2 4.16Å; H113-Y130 AromaticContact CD2-CE2 3.56Å; H113-Y130 AromaticContact CD2-CZ 3.78Å; H113-Y130 AromaticContact CG-CE2 3.78Å; Y130-N135 HydrophobicContact CD1-CB 3.7Å; Y130-N135 HydrophobicContact CE1-CB 3.23Å; Y130-N135 VanDerWaalsContact CE1-CG 3.45Å; Y130-T136 CarbonylContact O-C 3.31Å; Y130-T136 VanDerWaalsContact O-CA 3.28Å; Y130-T136 WeakPolarHBondContact O-CA 3.43Å; Y130-Q137 PolarHBondContact N-O 3.43Å; Y130-Q137 PolarHBondContact O-N 3.09Å; Y130-V260 HydrophobicContact CD2-CG2 3.82Å; Y130-V260 HydrophobicContact CG-CG2 4.18Å
131V98.4Very high97.2Very high0 Ų026.2 Ų26.20%016%0.16CC..EExtended strand (participates in β ladder)trans-131.2115.8-176.9-73.90000112.2L129 N135 T136 V157 L241 I259 V260 G261 G262 V263 L269L129-V131 HydrophobicContact CD1-CG1 3.74Å; L129-V131 HydrophobicContact CD2-CG1 4.28Å; L129-V131 HydrophobicContact CD2-CG2 4.47Å; L129-V131 HydrophobicContact CG-CG1 3.86Å; L129-V131 HydrophobicContact CG-CG2 4.33Å; V131-N135 WeakPolarHBondContact CA-O 3.41Å; V131-T136 HydrophobicContact CG1-CG2 4.07Å; V131-V157 HydrophobicContact CB-CG1 3.86Å; V131-V157 HydrophobicContact CG1-CG1 3.85Å; V131-L241 HydrophobicContact CG1-CD1 3.96Å; V131-L241 HydrophobicContact CG1-CD2 3.99Å; V131-I259 HydrophobicContact CG2-CG2 4.16Å; V131-V260 PolarHBondContact N-O 3.06Å; V131-G261 CarbonylContact O-C 3.55Å; V131-G261 WeakPolarHBondContact O-CA 3.28Å; V131-G262 PolarHBondContact O-N 2.92Å; V131-V263 HydrophobicContact CB-CB 3.95Å; V131-V263 HydrophobicContact CB-CG1 4.44Å; V131-V263 HydrophobicContact CG2-CB 3.84Å; V131-V263 HydrophobicContact CG2-CG1 4.23Å; V131-V263 WeakPolarHBondContact O-CB 3.34Å; V131-V263 PolarHBondContact O-N 2.94Å; V131-L269 HydrophobicContact CG2-CD2 3.97Å
132S96.1Very high97.1Very high7 Ų729 Ų295%0.04917%0.173CC..  trans-139.8-176.6-17981.50000111G134 N135 G158S132-G134 PolarHBondContact O-N 2.97Å; S132-G134 PolarHBondContact OG-N 2.97Å; S132-G134 VanDerWaalsContact OG-N 3.08Å; S132-N135 PolarHBondContact N-O 3.36Å; S132-N135 PolarHBondContact OG-N 2.76Å; S132-G158 WeakPolarHBondContact O-CA 3.33Å; S132-G158 PolarHBondContact O-N 3.15Å; S132-G158 VanDerWaalsContact O-N 3.15Å
133G93.6Very high96.9Very high37 Ų3728.8 Ų28.838%0.38117%0.172SC..SBendtrans-65.9-20.1170.800000113.9N159G133-N159 WeakPolarHBondContact O-CB 3.37Å
134G94.3Very high96.9Very high58 Ų5834.1 Ų34.160%0.59819%0.192SC*.SBendtrans-114.6-15.7-17700000115S132S132-G134 PolarHBondContact O-N 2.97Å; S132-G134 PolarHBondContact OG-N 2.97Å; S132-G134 VanDerWaalsContact OG-N 3.08Å
135N97.9Very high97.1Very high29 Ų2933 Ų3316%0.15518%0.179CC..  trans-139.2144-173.4-64.685000112.2Y130 V131 S132Y130-N135 HydrophobicContact CD1-CB 3.7Å; Y130-N135 HydrophobicContact CE1-CB 3.23Å; Y130-N135 VanDerWaalsContact CE1-CG 3.45Å; V131-N135 WeakPolarHBondContact CA-O 3.41Å; S132-N135 PolarHBondContact N-O 3.36Å; S132-N135 PolarHBondContact OG-N 2.76Å
136T98.8Very high97.3Very high1 Ų129.2 Ų29.21%0.00616%0.159CC..EExtended strand (participates in β ladder)trans-142.3105.9165.3-64.30000107.6Y130 V131 E151 T152 A156 V157 V202 F204 L241Y130-T136 CarbonylContact O-C 3.31Å; Y130-T136 VanDerWaalsContact O-CA 3.28Å; Y130-T136 WeakPolarHBondContact O-CA 3.43Å; V131-T136 HydrophobicContact CG1-CG2 4.07Å; T136-E151 WeakPolarHBondContact O-CA 3.29Å; T136-T152 PolarHBondContact O-N 3.1Å; T136-A156 WeakPolarHBondContact OG1-CA 3.44Å; T136-V157 WeakPolarHBondContact OG1-CG1 3.49Å; T136-V157 PolarHBondContact OG1-N 2.84Å; T136-V202 HydrophobicContact CG2-CG2 3.95Å; T136-F204 HydrophobicContact CG2-CE2 3.93Å; T136-F204 HydrophobicContact CG2-CZ 4.24Å; T136-L241 HydrophobicContact CG2-CD2 3.6Å
137Q98.8Very high97.3Very high13 Ų1332.9 Ų32.96%0.06117%0.172CC..EExtended strand (participates in β ladder)trans-143.3143.2-173.7-65176.9-32.400110.3Y130 I139 G150 E151 T326Y130-Q137 PolarHBondContact N-O 3.43Å; Y130-Q137 PolarHBondContact O-N 3.09Å; Q137-I139 HydrophobicContact CB-CD1 3.81Å; Q137-I139 HydrophobicContact CB-CG1 3.96Å; Q137-G150 CarbonylContact C-O 3.56Å; Q137-G150 WeakPolarHBondContact CA-O 3.46Å; Q137-E151 HydrophobicContact CG-CB 3.91Å; Q137-E151 PolarHBondContact NE2-OE2 3.48Å; Q137-T326 PolarHBondContact OE1-OG1 2.93Å
138V98.8Very high97.3Very high0 Ų034.1 Ų34.10%018%0.178CC..EExtended strand (participates in β ladder)trans-106.6116.3167.4-175.40000107.5T127 V128 L129 F149 G150 I244 A248T127-V138 HydrophobicContact CG2-CG1 3.7Å; V128-V138 CarbonylContact O-C 3.58Å; V128-V138 WeakPolarHBondContact O-CA 3.5Å; L129-V138 HydrophobicContact CD1-CG2 4.01Å; V138-F149 PolarHBondContact O-N 3.17Å; V138-G150 PolarHBondContact N-O 2.94Å; V138-G150 PolarHBondContact O-N 3.29Å; V138-I244 HydrophobicContact CG2-CB 4.39Å; V138-I244 HydrophobicContact CG2-CD1 3.59Å; V138-I244 HydrophobicContact CG2-CG1 3.77Å; V138-A248 HydrophobicContact CB-CB 4.48Å; V138-A248 HydrophobicContact CG1-CB 3.37Å
139I98.8Very high97.3Very high0 Ų036 Ų360%019%0.186CC..EExtended strand (participates in β ladder)trans-122.1142.4-167.3-65.2153.8000109I114 V128 Q137 Y146 R147 I148 T326I114-I139 HydrophobicContact CD1-CD1 4.23Å; I114-I139 HydrophobicContact CD1-CG2 4.04Å; V128-I139 HydrophobicContact CB-CB 4.25Å; V128-I139 PolarHBondContact N-O 3.32Å; V128-I139 PolarHBondContact O-N 3.24Å; Q137-I139 HydrophobicContact CB-CD1 3.81Å; Q137-I139 HydrophobicContact CB-CG1 3.96Å; I139-Y146 HydrophobicContact CG2-CD1 4Å; I139-Y146 HydrophobicContact CG2-CG 4.32Å; I139-R147 CarbonylContact C-O 3.45Å; I139-R147 VanDerWaalsContact CA-O 3.24Å; I139-R147 WeakPolarHBondContact CA-O 3.09Å; I139-I148 HydrophobicContact CG1-CG1 4.13Å; I139-T326 HydrophobicContact CD1-CG2 4.13Å; I139-T326 HydrophobicContact CG2-CG2 4.49Å
140A98.1Very high97.3Very high9 Ų936 Ų367%0.07419%0.187CC..EExtended strand (participates in β ladder)trans-138.8150.1164.700000110.4R147 F149A140-R147 PolarHBondContact N-O 3.01Å; A140-R147 PolarHBondContact O-N 3.1Å; A140-F149 HydrophobicContact CB-CD2 3.95Å; A140-F149 HydrophobicContact CB-CE2 3.6Å; A140-F149 HydrophobicContact CB-CZ 4.46Å
141Y97.6Very high97.3Very high22 Ų2238.4 Ų38.49%0.08620%0.198CC..EExtended strand (participates in β ladder)trans-77.9126.5176.3176.7-92.8000110R144 R145 Y146 V331 R334 D335Y141-R144 VanDerWaalsContact OH-CA 3.28Å; Y141-R144 WeakPolarHBondContact OH-CA 3.17Å; Y141-R144 PolarHBondContact OH-N 3.41Å; Y141-R145 WeakPolarHBondContact CA-O 3.3Å; Y141-Y146 HydrophobicContact CD2-CD1 4.36Å; Y141-Y146 HydrophobicContact CD2-CE1 4.15Å; Y141-Y146 HydrophobicContact CG-CE1 4.46Å; Y141-V331 HydrophobicContact CD2-CG1 4.25Å; Y141-V331 HydrophobicContact CE2-CB 3.88Å; Y141-V331 HydrophobicContact CE2-CG1 3.66Å; Y141-V331 HydrophobicContact CE2-CG2 4.47Å; Y141-R334 HydrophobicContact CE1-CB 4.37Å; Y141-R334 HydrophobicContact CE2-CB 3.77Å; Y141-R334 PolarHBondContact OH-O 3.27Å; Y141-D335 VanDerWaalsContact CE1-O 3.3Å; Y141-D335 WeakPolarHBondContact CE1-O 2.79Å; Y141-D335 PolarHBondContact OH-O 2.96Å
142L94.3Very high97.3Very high83 Ų8339.5 Ų39.544%0.43521%0.205SC..  trans-151.7122.9176.1179.968000110.6R145 R147L142-R145 PolarHBondContact N-O 3.38Å; L142-R145 PolarHBondContact O-N 2.81Å; L142-R147 HydrophobicContact CB-CG 4.39Å; L142-R147 PolarHBondContact O-NE 3.48Å
143E92.9Very high97.4Very high141 Ų14143.5 Ų43.566%0.65922%0.224SC*.SBendtrans49.363.2178.5-60.7178.4152.800112.4R145 R147E143-R145 PolarHBondContact O-N 2.97Å; E143-R145 VanDerWaalsContact O-N 3.09Å; E143-R147 IonicContact OE2-CZ 2.89Å; E143-R147 IonicContact OE2-NH2 2.92Å; E143-R147 PolarHBondContact OE2-NH2 3.49Å
144R95.8Very high97.6Very high114 Ų11444.6 Ų44.643%0.4322%0.221SC..SBendtrans5824.4177.7-58.8-179172.6-173.6-3.6115.1Y141 V331Y141-R144 VanDerWaalsContact OH-CA 3.28Å; Y141-R144 WeakPolarHBondContact OH-CA 3.17Å; Y141-R144 PolarHBondContact OH-N 3.41Å; R144-V331 WeakPolarHBondContact O-CB 3.31Å; R144-V331 PolarHBondContact O-N 3.44Å
145R97.7Very high97.8Very high88 Ų8843.3 Ų43.333%0.33220%0.201SC..SBendtrans-137.4142.6172.4-66.9-170.9-178.2-98.1-7111.1Y141 L142 E143 R147 D327 E328Y141-R145 WeakPolarHBondContact CA-O 3.3Å; L142-R145 PolarHBondContact N-O 3.38Å; L142-R145 PolarHBondContact O-N 2.81Å; E143-R145 PolarHBondContact O-N 2.97Å; E143-R145 VanDerWaalsContact O-N 3.09Å; R145-R147 HydrophobicContact CB-CG 4Å; R145-R147 PolarHBondContact O-N 3.41Å; R145-D327 WeakPolarHBondContact CD-O 3.21Å; R145-D327 PolarHBondContact NH1-O 3.23Å; R145-E328 PolarHBondContact NH1-O 2.88Å; R145-E328 VanDerWaalsContact NH1-O 3.1Å
146Y98.4Very high97.8Very high2 Ų242.2 Ų42.21%0.00820%0.196CC..EExtended strand (participates in β ladder)trans-82.496.6163.1-77-64000108.7I111 I114 E115 R118 I139 Y141 T326 D327 V331 W333 R334I111-Y146 HydrophobicContact CD1-CD2 4.04Å; I111-Y146 HydrophobicContact CG1-CD2 3.98Å; I111-Y146 HydrophobicContact CG2-CD2 4.45Å; I111-Y146 HydrophobicContact CG2-CE2 4.28Å; I114-Y146 HydrophobicContact CD1-CD1 3.97Å; I114-Y146 HydrophobicContact CD1-CD2 4.3Å; I114-Y146 HydrophobicContact CD1-CE1 4.36Å; I114-Y146 HydrophobicContact CD1-CG 3.94Å; I114-Y146 HydrophobicContact CG2-CD1 4.28Å; I114-Y146 HydrophobicContact CG2-CE1 3.59Å; I114-Y146 HydrophobicContact CG2-CE2 4.28Å; E115-Y146 WeakPolarHBondContact OE1-CE2 3.35Å; E115-Y146 VanDerWaalsContact OE1-CZ 3.27Å; E115-Y146 PolarHBondContact OE1-OH 2.91Å; R118-Y146 WeakPolarHBondContact CD-OH 3.32Å; I139-Y146 HydrophobicContact CG2-CD1 4Å; I139-Y146 HydrophobicContact CG2-CG 4.32Å; Y141-Y146 HydrophobicContact CD2-CD1 4.36Å; Y141-Y146 HydrophobicContact CD2-CE1 4.15Å; Y141-Y146 HydrophobicContact CG-CE1 4.46Å; Y146-T326 CarbonylContact O-C 3.52Å; Y146-D327 VanDerWaalsContact O-CA 3.28Å; Y146-D327 WeakPolarHBondContact O-CA 3.4Å; Y146-D327 WeakPolarHBondContact O-CB 3.49Å; Y146-D327 PolarHBondContact O-N 2.94Å; Y146-V331 HydrophobicContact CD2-CG2 3.57Å; Y146-V331 HydrophobicContact CE2-CG1 4.17Å; Y146-V331 HydrophobicContact CE2-CG2 3.87Å; Y146-V331 HydrophobicContact CG-CG2 4.44Å; Y146-W333 HydrophobicContact CE2-CZ2 4.46Å; Y146-R334 PolarHBondContact OH-NH1 3.33Å
147R98.4Very high97.8Very high82 Ų8242.2 Ų42.231%0.30920%0.196SC..EExtended strand (participates in β ladder)trans-88.5142.3-174.3-58.8-171-173.1-127.16111.1I139 A140 L142 E143 R145 F149I139-R147 CarbonylContact C-O 3.45Å; I139-R147 VanDerWaalsContact CA-O 3.24Å; I139-R147 WeakPolarHBondContact CA-O 3.09Å; A140-R147 PolarHBondContact N-O 3.01Å; A140-R147 PolarHBondContact O-N 3.1Å; L142-R147 HydrophobicContact CB-CG 4.39Å; L142-R147 PolarHBondContact O-NE 3.48Å; E143-R147 IonicContact OE2-CZ 2.89Å; E143-R147 IonicContact OE2-NH2 2.92Å; E143-R147 PolarHBondContact OE2-NH2 3.49Å; R145-R147 HydrophobicContact CB-CG 4Å; R145-R147 PolarHBondContact O-N 3.41Å; R147-F149 HydrophobicContact CB-CE2 4.04Å
148I98.7Very high97.7Very high28 Ų2841.7 Ų41.714%0.14419%0.194CC..EExtended strand (participates in β ladder)trans-91.5114178.3-62.9158.9000108.1I139 E151 R325I139-I148 HydrophobicContact CG1-CG1 4.13Å; I148-E151 HydrophobicContact CG2-CB 3.87Å; I148-E151 HydrophobicContact CG2-CG 4Å; I148-R325 VanDerWaalsContact CD1-NH2 3.27Å
149F98.5Very high97.7Very high41 Ų4144 Ų4418%0.1821%0.206CC..EExtended strand (participates in β ladder)trans-91-26.5178.5-78.2-95.5000112.5V138 A140 R147 M200 A248 H251V138-F149 PolarHBondContact O-N 3.17Å; A140-F149 HydrophobicContact CB-CD2 3.95Å; A140-F149 HydrophobicContact CB-CE2 3.6Å; A140-F149 HydrophobicContact CB-CZ 4.46Å; R147-F149 HydrophobicContact CB-CE2 4.04Å; F149-M200 HydrophobicContact CB-SD 4.22Å; F149-M200 VanDerWaalsContact O-CB 3.29Å; F149-M200 WeakPolarHBondContact O-CB 3.46Å; F149-M200 WeakPolarHBondContact O-CE 3.47Å; F149-A248 HydrophobicContact CB-CB 4.26Å; F149-H251 AromaticContact CD1-CD2 3.81Å; F149-H251 AromaticContact CE1-CD2 3.49Å; F149-H251 VanDerWaalsContact CE1-CD2 3.49Å; F149-H251 WeakPolarHBondContact CE1-CD2 3.18Å; F149-H251 AromaticContact CE1-NE2 3.89Å
150G98.8Very high97.6Very high1 Ų144 Ų441%0.0121%0.206CC..EExtended strand (participates in β ladder)trans-156.2145175.600000110.1Q137 V138 M200 D201Q137-G150 CarbonylContact C-O 3.56Å; Q137-G150 WeakPolarHBondContact CA-O 3.46Å; V138-G150 PolarHBondContact N-O 2.94Å; V138-G150 PolarHBondContact O-N 3.29Å; G150-M200 VanDerWaalsContact CA-O 3.24Å; G150-M200 WeakPolarHBondContact CA-O 3.27Å; G150-D201 WeakPolarHBondContact CA-OD1 3.48Å
151E98.8Very high97.6Very high50 Ų5043.8 Ų43.823%0.23420%0.204CC..EExtended strand (participates in β ladder)trans-145.4167.2176.258.2-173.6134.800112.5T136 Q137 I148 I153 D201 V202 R325T136-E151 WeakPolarHBondContact O-CA 3.29Å; Q137-E151 HydrophobicContact CG-CB 3.91Å; Q137-E151 PolarHBondContact NE2-OE2 3.48Å; I148-E151 HydrophobicContact CG2-CB 3.87Å; I148-E151 HydrophobicContact CG2-CG 4Å; E151-I153 PolarHBondContact O-N 3.04Å; E151-D201 PolarHBondContact N-OD1 2.99Å; E151-D201 VanDerWaalsContact O-CA 3.32Å; E151-D201 WeakPolarHBondContact O-CA 3.32Å; E151-D201 WeakPolarHBondContact O-CB 3.48Å; E151-V202 PolarHBondContact O-N 3.08Å; E151-V202 VanDerWaalsContact O-N 3.17Å; E151-R325 IonicContact OE1-CZ 3.36Å; E151-R325 IonicContact OE1-NH1 3.5Å; E151-R325 PolarHBondContact OE1-NH1 3.36Å; E151-R325 IonicContact OE1-NH2 3.19Å; E151-R325 PolarHBondContact OE1-NH2 3.02Å; E151-R325 IonicContact OE2-NH1 2.91Å
152T98.8Very high97.5Very high24 Ų2444.1 Ų44.115%0.14721%0.207CC..BIsolated β-bridgetrans-66134.3166.3-177.60000110.1T136 D154 I155 V202T136-T152 PolarHBondContact O-N 3.1Å; T152-D154 VanDerWaalsContact C-N 3.34Å; T152-D154 PolarHBondContact OG1-N 3.36Å; T152-D154 PolarHBondContact OG1-OD1 2.74Å; T152-I155 WeakPolarHBondContact CB-O 3.43Å; T152-I155 WeakPolarHBondContact CG2-O 3.47Å; T152-I155 PolarHBondContact OG1-O 3.26Å; T152-V202 VanDerWaalsContact CA-O 3.3Å; T152-V202 WeakPolarHBondContact CA-O 3.22Å
153I98.4Very high97.6Very high90 Ų9044.2 Ų44.246%0.46220%0.202SC..SBendtrans-91.42.1174.457.9164.4000112.8E151 K198 D201 V202E151-I153 PolarHBondContact O-N 3.04Å; I153-K198 HydrophobicContact CD1-CD 3.79Å; I153-D201 HydrophobicContact CG2-CB 4.02Å; I153-V202 WeakPolarHBondContact CG1-O 3.2Å; I153-V202 PolarHBondContact N-O 2.84Å
154D97.7Very high97.7Very high60 Ų6037.5 Ų37.532%0.32117%0.17SC..SBendtrans-139-92.3178.657.919.5000114.4T152 S203 F204 S205T152-D154 VanDerWaalsContact C-N 3.34Å; T152-D154 PolarHBondContact OG1-N 3.36Å; T152-D154 PolarHBondContact OG1-OD1 2.74Å; D154-S203 PolarHBondContact OD2-OG 3.44Å; D154-F204 PolarHBondContact OD1-N 2.92Å; D154-F204 PolarHBondContact OD2-N 3.19Å; D154-S205 WeakPolarHBondContact CB-OG 3.42Å; D154-S205 WeakPolarHBondContact OD2-CB 3.31Å; D154-S205 PolarHBondContact OD2-N 3.43Å; D154-S205 PolarHBondContact OD2-OG 3.29Å
155I97.9Very high97.7Very high31 Ų3132 Ų3216%0.15915%0.15CC..SBendtrans-109.9152.9-179.165.3175.6000109.7T152 N159 C160 F204 L208T152-I155 WeakPolarHBondContact CB-O 3.43Å; T152-I155 WeakPolarHBondContact CG2-O 3.47Å; T152-I155 PolarHBondContact OG1-O 3.26Å; I155-N159 HydrophobicContact CB-CB 4.36Å; I155-C160 HydrophobicContact CD1-CB 4.01Å; I155-F204 HydrophobicContact CD1-CB 4.28Å; I155-F204 HydrophobicContact CG1-CB 3.88Å; I155-F204 VanDerWaalsContact O-CD2 3.27Å; I155-F204 WeakPolarHBondContact O-CD2 3.45Å; I155-L208 HydrophobicContact CD1-CB 4.44Å; I155-L208 HydrophobicContact CD1-CD2 3.76Å
156A98.3Very high97.4Very high7 Ų731 Ų316%0.05815%0.146CC..  trans-69.2151.9172.600000111.6T136 G158 N159 C160T136-A156 WeakPolarHBondContact OG1-CA 3.44Å; A156-G158 VanDerWaalsContact C-N 3.26Å; A156-G158 PolarHBondContact O-N 2.96Å; A156-N159 HydrophobicContact CB-CB 4.39Å; A156-N159 WeakPolarHBondContact O-CA 3.46Å; A156-N159 VanDerWaalsContact O-CB 3.25Å; A156-N159 WeakPolarHBondContact O-CB 3.36Å; A156-N159 PolarHBondContact O-N 3.2Å; A156-C160 PolarHBondContact O-N 2.89Å
157V98.6Very high96.9Very high0 Ų033.2 Ų33.20%016%0.159CC..Hα-helixtrans-58.7-3817769.80000112V131 T136 N159 C160 L161 F204 V237 L241 V263V131-V157 HydrophobicContact CB-CG1 3.86Å; V131-V157 HydrophobicContact CG1-CG1 3.85Å; T136-V157 WeakPolarHBondContact OG1-CG1 3.49Å; T136-V157 PolarHBondContact OG1-N 2.84Å; V157-N159 VanDerWaalsContact C-N 3.31Å; V157-N159 PolarHBondContact O-N 3.3Å; V157-C160 WeakPolarHBondContact O-CB 3.42Å; V157-C160 PolarHBondContact O-N 3.01Å; V157-L161 WeakPolarHBondContact O-CG 3.49Å; V157-L161 PolarHBondContact O-N 3.46Å; V157-F204 HydrophobicContact CB-CD2 4.46Å; V157-F204 HydrophobicContact CB-CE1 4.17Å; V157-F204 HydrophobicContact CB-CE2 3.97Å; V157-F204 HydrophobicContact CB-CZ 3.82Å; V157-F204 HydrophobicContact CG2-CD1 4.38Å; V157-F204 HydrophobicContact CG2-CE1 3.94Å; V157-F204 HydrophobicContact CG2-CZ 4.07Å; V157-V237 HydrophobicContact CG2-CB 3.96Å; V157-V237 HydrophobicContact CG2-CG2 3.77Å; V157-L241 HydrophobicContact CB-CD1 4.5Å; V157-L241 HydrophobicContact CG1-CD1 4.15Å; V157-L241 HydrophobicContact CG2-CD1 4.19Å; V157-V263 HydrophobicContact CG1-CB 4.47Å; V157-V263 HydrophobicContact CG1-CG1 4.25Å; V157-V263 HydrophobicContact CG1-CG2 4.22Å
158G97.5Very high96.5Very high2 Ų230.8 Ų30.82%0.02115%0.152CC..Hα-helixtrans-66.2-33.8174.600000112.3S132 A156 L161 D162S132-G158 WeakPolarHBondContact O-CA 3.33Å; S132-G158 PolarHBondContact O-N 3.15Å; S132-G158 VanDerWaalsContact O-N 3.15Å; A156-G158 VanDerWaalsContact C-N 3.26Å; A156-G158 PolarHBondContact O-N 2.96Å; G158-L161 PolarHBondContact O-N 2.96Å; G158-D162 VanDerWaalsContact O-CB 3.31Å; G158-D162 WeakPolarHBondContact O-CB 3.49Å; G158-D162 PolarHBondContact O-N 3.37Å
159N97.1Very high96.2Very high49 Ų4937.5 Ų37.526%0.26218%0.18SC..Hα-helixtrans-65.2-40.9172.7-167.7-92.6000111.6G133 I155 A156 V157 D162 R163G133-N159 WeakPolarHBondContact O-CB 3.37Å; I155-N159 HydrophobicContact CB-CB 4.36Å; A156-N159 HydrophobicContact CB-CB 4.39Å; A156-N159 WeakPolarHBondContact O-CA 3.46Å; A156-N159 VanDerWaalsContact O-CB 3.25Å; A156-N159 WeakPolarHBondContact O-CB 3.36Å; A156-N159 PolarHBondContact O-N 3.2Å; V157-N159 VanDerWaalsContact C-N 3.31Å; V157-N159 PolarHBondContact O-N 3.3Å; N159-D162 PolarHBondContact O-N 3.09Å; N159-R163 VanDerWaalsContact O-CB 3.32Å; N159-R163 WeakPolarHBondContact O-CB 3.27Å; N159-R163 WeakPolarHBondContact O-CG 3.34Å; N159-R163 PolarHBondContact O-N 3.09Å; N159-R163 VanDerWaalsContact OD1-CD 3.31Å; N159-R163 WeakPolarHBondContact OD1-CD 3.44Å
160C98Very high95.9Very high0 Ų036.1 Ų36.10%018%0.175CC..Hα-helixtrans-58.6-49.8174.7-176.40000111.1I155 A156 V157 R163 F164 F204I155-C160 HydrophobicContact CD1-CB 4.01Å; A156-C160 PolarHBondContact O-N 2.89Å; V157-C160 WeakPolarHBondContact O-CB 3.42Å; V157-C160 PolarHBondContact O-N 3.01Å; C160-R163 PolarHBondContact O-N 3Å; C160-F164 WeakPolarHBondContact O-CB 3.27Å; C160-F164 PolarHBondContact O-N 3.43Å; C160-F204 HydrophobicContact CB-CB 4.04Å
161L97.8Very high95.7Very high5 Ų538.4 Ų38.43%0.02619%0.19CC..Hα-helixtrans-60.7-49.8176.4-65.7170.4000111.6V157 G158 R163 F164 A165 I180 L233 F238 V263V157-L161 WeakPolarHBondContact O-CG 3.49Å; V157-L161 PolarHBondContact O-N 3.46Å; G158-L161 PolarHBondContact O-N 2.96Å; L161-R163 VanDerWaalsContact C-N 3.31Å; L161-R163 PolarHBondContact O-N 3.21Å; L161-F164 PolarHBondContact O-N 3.44Å; L161-A165 WeakPolarHBondContact O-CB 3.25Å; L161-A165 PolarHBondContact O-N 2.95Å; L161-I180 HydrophobicContact CB-CD1 4.15Å; L161-I180 HydrophobicContact CD2-CD1 4.31Å; L161-I180 HydrophobicContact CD2-CG2 4.32Å; L161-I180 WeakPolarHBondContact O-CD1 3.35Å; L161-L233 HydrophobicContact CD2-CD2 3.91Å; L161-L233 HydrophobicContact CD2-CG 4.21Å; L161-F238 HydrophobicContact CD1-CE1 4.37Å; L161-V263 HydrophobicContact CD1-CG1 4.14Å; L161-V263 HydrophobicContact CD1-CG2 4.44Å
162D96Very high95.6Very high28 Ų2836.6 Ų36.615%0.1518%0.182CC..Hα-helixtrans-64.4-34-178.3-73.7-8.5000112.9G158 N159 R166 P176G158-D162 VanDerWaalsContact O-CB 3.31Å; G158-D162 WeakPolarHBondContact O-CB 3.49Å; G158-D162 PolarHBondContact O-N 3.37Å; N159-D162 PolarHBondContact O-N 3.09Å; D162-R166 WeakPolarHBondContact O-CG 3.46Å; D162-R166 PolarHBondContact O-N 3.44Å; D162-R166 PolarHBondContact O-NE 2.94Å; D162-P176 HydrophobicContact CB-CB 4.49Å; D162-P176 HydrophobicContact CB-CG 4.42Å; D162-P176 WeakPolarHBondContact OD1-CB 3.32Å; D162-P176 WeakPolarHBondContact OD1-CG 3.44Å
163R95.3Very high95.3Very high85 Ų8540 Ų4032%0.32120%0.199SC..Hα-helixtrans-74-41.6175.4-78-172.960-166.9-13.8111.4N159 C160 L161 A165 R166 V167 L208 E212N159-R163 VanDerWaalsContact O-CB 3.32Å; N159-R163 WeakPolarHBondContact O-CB 3.27Å; N159-R163 WeakPolarHBondContact O-CG 3.34Å; N159-R163 PolarHBondContact O-N 3.09Å; N159-R163 VanDerWaalsContact OD1-CD 3.31Å; N159-R163 WeakPolarHBondContact OD1-CD 3.44Å; C160-R163 PolarHBondContact O-N 3Å; L161-R163 VanDerWaalsContact C-N 3.31Å; L161-R163 PolarHBondContact O-N 3.21Å; R163-A165 VanDerWaalsContact C-N 3.33Å; R163-A165 PolarHBondContact O-N 3.27Å; R163-R166 WeakPolarHBondContact O-CB 3.32Å; R163-R166 PolarHBondContact O-N 3.01Å; R163-R166 VanDerWaalsContact O-N 3.13Å; R163-V167 WeakPolarHBondContact O-CG2 3.5Å; R163-V167 PolarHBondContact O-N 2.9Å; R163-L208 HydrophobicContact CB-CD1 4.06Å; R163-L208 HydrophobicContact CB-CD2 3.76Å; R163-L208 HydrophobicContact CG-CD2 4.32Å; R163-E212 IonicContact CZ-OE1 2.71Å; R163-E212 IonicContact NE-OE1 2.79Å; R163-E212 IonicContact NH2-OE1 3.49Å; R163-E212 PolarHBondContact NH2-OE1 3.02Å; R163-E212 IonicContact NH2-OE2 3.73Å; R163-E212 PolarHBondContact NH2-OE2 2.73Å
164F95.4Very high95Very high0 Ų039.1 Ų39.10%020%0.2CC..Hα-helixtrans-59.8-44.7174179.6-114.4000111.4C160 L161 R166 V167 I168 I180 L208 I211 A215 L229 L233C160-F164 WeakPolarHBondContact O-CB 3.27Å; C160-F164 PolarHBondContact O-N 3.43Å; L161-F164 PolarHBondContact O-N 3.44Å; F164-R166 PolarHBondContact O-N 3.5Å; F164-V167 WeakPolarHBondContact O-CB 3.39Å; F164-V167 PolarHBondContact O-N 3.48Å; F164-I168 HydrophobicContact CD1-CD1 4.2Å; F164-I168 HydrophobicContact CE1-CD1 3.52Å; F164-I168 HydrophobicContact CE1-CG1 4.27Å; F164-I168 HydrophobicContact CE2-CG2 4.13Å; F164-I168 HydrophobicContact CZ-CD1 3.69Å; F164-I168 HydrophobicContact CZ-CG1 4.26Å; F164-I168 HydrophobicContact CZ-CG2 4.13Å; F164-I168 WeakPolarHBondContact O-CG1 3.44Å; F164-I168 PolarHBondContact O-N 3.28Å; F164-I180 HydrophobicContact CD1-CD1 3.91Å; F164-L208 HydrophobicContact CB-CD1 4.19Å; F164-I211 HydrophobicContact CD2-CB 4.5Å; F164-I211 HydrophobicContact CD2-CD1 3.98Å; F164-I211 HydrophobicContact CD2-CG1 4.12Å; F164-I211 HydrophobicContact CD2-CG2 3.65Å; F164-I211 HydrophobicContact CE1-CD1 4.27Å; F164-I211 HydrophobicContact CE2-CB 4.46Å; F164-I211 HydrophobicContact CE2-CD1 3.58Å; F164-I211 HydrophobicContact CE2-CG1 3.65Å; F164-I211 HydrophobicContact CE2-CG2 4.07Å; F164-I211 HydrophobicContact CG-CD1 4.5Å; F164-I211 HydrophobicContact CG-CG2 4.41Å; F164-I211 HydrophobicContact CZ-CD1 3.75Å; F164-I211 HydrophobicContact CZ-CG1 4.23Å; F164-A215 HydrophobicContact CE2-CB 4.33Å; F164-L229 HydrophobicContact CE1-CB 4.34Å; F164-L229 HydrophobicContact CZ-CB 3.66Å; F164-L229 HydrophobicContact CZ-CD1 4.34Å; F164-L233 HydrophobicContact CB-CD2 3.78Å; F164-L233 HydrophobicContact CD1-CD2 3.42Å; F164-L233 VanDerWaalsContact CD1-CD2 3.42Å; F164-L233 HydrophobicContact CE1-CD2 4.17Å; F164-L233 HydrophobicContact CG-CD2 3.65Å
165A95Very high94.9Very high0 Ų038.2 Ų38.20%020%0.198CC..Hα-helixtrans-54-38.7174.600000112.7L161 R163 K169 I170 P176 I180L161-A165 WeakPolarHBondContact O-CB 3.25Å; L161-A165 PolarHBondContact O-N 2.95Å; R163-A165 VanDerWaalsContact C-N 3.33Å; R163-A165 PolarHBondContact O-N 3.27Å; A165-K169 PolarHBondContact O-N 2.85Å; A165-I170 HydrophobicContact CB-CB 4.07Å; A165-I170 HydrophobicContact CB-CG2 4.42Å; A165-I170 PolarHBondContact O-N 2.61Å; A165-P176 HydrophobicContact CB-CB 3.6Å; A165-I180 HydrophobicContact CB-CD1 3.87Å; A165-I180 HydrophobicContact CB-CG1 4.16Å
166R92.1Very high94.7Very high67 Ų6737.6 Ų37.625%0.25320%0.196SC..Hα-helixtrans-66-39.2176.7-70171.4-122.8175.4-4.4112.6D162 R163 F164 I168 K169D162-R166 WeakPolarHBondContact O-CG 3.46Å; D162-R166 PolarHBondContact O-N 3.44Å; D162-R166 PolarHBondContact O-NE 2.94Å; R163-R166 WeakPolarHBondContact O-CB 3.32Å; R163-R166 PolarHBondContact O-N 3.01Å; R163-R166 VanDerWaalsContact O-N 3.13Å; F164-R166 PolarHBondContact O-N 3.5Å; R166-I168 VanDerWaalsContact C-N 3.34Å; R166-K169 PolarHBondContact O-N 2.87Å; R166-K169 VanDerWaalsContact O-N 3.14Å
167V88.8Confident94.6Very high47 Ų4738.1 Ų38.129%0.28520%0.203SC..Hα-helixtrans-62.5-44.7-178.51740000110.5R163 F164 K169 E212R163-V167 WeakPolarHBondContact O-CG2 3.5Å; R163-V167 PolarHBondContact O-N 2.9Å; F164-V167 WeakPolarHBondContact O-CB 3.39Å; F164-V167 PolarHBondContact O-N 3.48Å; V167-K169 VanDerWaalsContact C-N 3.3Å; V167-E212 HydrophobicContact CG1-CG 4.44Å; V167-E212 HydrophobicContact CG2-CG 3.61Å
168I90Very high94.4Very high32 Ų3243.2 Ų43.216%0.16422%0.223CC..THydrogen-bonded Turntrans-91.712.5177.157.4167.4000113.5F164 R166 I170 L219 A226F164-I168 HydrophobicContact CD1-CD1 4.2Å; F164-I168 HydrophobicContact CE1-CD1 3.52Å; F164-I168 HydrophobicContact CE1-CG1 4.27Å; F164-I168 HydrophobicContact CE2-CG2 4.13Å; F164-I168 HydrophobicContact CZ-CD1 3.69Å; F164-I168 HydrophobicContact CZ-CG1 4.26Å; F164-I168 HydrophobicContact CZ-CG2 4.13Å; F164-I168 WeakPolarHBondContact O-CG1 3.44Å; F164-I168 PolarHBondContact O-N 3.28Å; R166-I168 VanDerWaalsContact C-N 3.34Å; I168-I170 VanDerWaalsContact C-N 3.26Å; I168-I170 HydrophobicContact CD1-CD1 3.28Å; I168-I170 HydrophobicContact CD1-CG1 3.86Å; I168-I170 HydrophobicContact CG1-CD1 3.77Å; I168-I170 HydrophobicContact CG1-CG1 3.88Å; I168-I170 PolarHBondContact O-N 3.45Å; I168-L219 HydrophobicContact CG2-CD1 3.99Å; I168-A226 HydrophobicContact CD1-CB 4.38Å
169K91.1Very high94.4Very high169 Ų16944.4 Ų44.474%0.73523%0.228SC*.THydrogen-bonded Turntrans54.135.3174.9-58.2-177.3178.9178.60114.7A165 R166 V167A165-K169 PolarHBondContact O-N 2.85Å; R166-K169 PolarHBondContact O-N 2.87Å; R166-K169 VanDerWaalsContact O-N 3.14Å; V167-K169 VanDerWaalsContact C-N 3.3Å
170I93.1Very high94.5Very high12 Ų1242.1 Ų42.16%0.06222%0.216CC..  trans-65.8148.4170.4-70.5174.6000110A165 I168 N179 I180 M183A165-I170 HydrophobicContact CB-CB 4.07Å; A165-I170 HydrophobicContact CB-CG2 4.42Å; A165-I170 PolarHBondContact O-N 2.61Å; I168-I170 VanDerWaalsContact C-N 3.26Å; I168-I170 HydrophobicContact CD1-CD1 3.28Å; I168-I170 HydrophobicContact CD1-CG1 3.86Å; I168-I170 HydrophobicContact CG1-CD1 3.77Å; I168-I170 HydrophobicContact CG1-CG1 3.88Å; I168-I170 PolarHBondContact O-N 3.45Å; I170-N179 HydrophobicContact CG2-CB 3.32Å; I170-I180 HydrophobicContact CD1-CG1 3.87Å; I170-M183 HydrophobicContact CD1-CE 4.27Å; I170-M183 HydrophobicContact CD1-SD 3.32Å; I170-M183 WeakPolarHBondContact CD1-SD 3.37Å; I170-M183 HydrophobicContact CG1-SD 3.57Å; I170-M183 VanDerWaalsContact CG1-SD 3.57Å
171S95.1Very high94.5Very high49 Ų4942.7 Ų42.734%0.34322%0.219SC..  trans-60.4144.7175.8-178.10000112.3D173 N179S171-D173 VanDerWaalsContact C-N 3.34Å; S171-D173 PolarHBondContact OG-N 3.41Å; S171-D173 PolarHBondContact OG-O 2.95Å; S171-N179 PolarHBondContact O-ND2 3.29Å
172N94.8Very high94.5Very high11 Ų1145 Ų456%0.05923%0.23CC..  trans-88-2.7170.3-64.1-32.1000112.9I33 T34 P35 Q38 P174 S175 P176I33-N172 HydrophobicContact CG2-CB 4.11Å; T34-N172 WeakPolarHBondContact O-CB 3.43Å; T34-N172 PolarHBondContact O-ND2 3.42Å; T34-N172 PolarHBondContact OG1-ND2 2.89Å; P35-N172 PolarHBondContact O-ND2 3.16Å; Q38-N172 PolarHBondContact O-ND2 2.92Å; N172-P174 CarbonylContact O-C 3.51Å; N172-P174 VanDerWaalsContact O-C 3.31Å; N172-S175 VanDerWaalsContact O-CA 3.23Å; N172-S175 WeakPolarHBondContact O-CA 3.11Å; N172-S175 PolarHBondContact O-N 2.91Å; N172-P176 HydrophobicContact CB-CG 4.31Å; N172-P176 WeakPolarHBondContact OD1-CG 3.49Å
173D94.1Very high94.6Very high95 Ų9545.6 Ų45.651%0.50823%0.232SC..SBendtrans-104126178.8-176.231.1000110.5I33 S171 N179I33-D173 HydrophobicContact CD1-CB 4.22Å; I33-D173 WeakPolarHBondContact CD1-OD1 3.31Å; I33-D173 HydrophobicContact CG2-CB 4.13Å; S171-D173 VanDerWaalsContact C-N 3.34Å; S171-D173 PolarHBondContact OG-N 3.41Å; S171-D173 PolarHBondContact OG-O 2.95Å; D173-N179 PolarHBondContact O-ND2 2.84Å
174P91.9Very high94.7Very high72 Ų7241.8 Ų41.847%0.46822%0.219SC..SBendcis-76.8-25-2.931.6-35.7000113.7N172 Y178N172-P174 CarbonylContact O-C 3.51Å; N172-P174 VanDerWaalsContact O-C 3.31Å; P174-Y178 HydrophobicContact CG-CD1 3.61Å; P174-Y178 HydrophobicContact CG-CE1 4.12Å; P174-Y178 HydrophobicContact CG-CG 4.12Å
175S94.1Very high94.8Very high42 Ų4248 Ų4829%0.29425%0.245SC..  trans-157.5153.6167.668.20000110.2N172 G177 Y178 N179N172-S175 VanDerWaalsContact O-CA 3.23Å; N172-S175 WeakPolarHBondContact O-CA 3.11Å; N172-S175 PolarHBondContact O-N 2.91Å; S175-G177 PolarHBondContact O-N 3.38Å; S175-Y178 PolarHBondContact O-N 3.26Å; S175-Y178 VanDerWaalsContact OG-CB 3.25Å; S175-Y178 WeakPolarHBondContact OG-CB 3.41Å; S175-Y178 PolarHBondContact OG-N 2.92Å; S175-N179 PolarHBondContact O-N 2.78Å; S175-N179 PolarHBondContact O-ND2 3.17Å
176P94.6Very high94.9Very high17 Ų1755.2 Ų55.211%0.1128%0.277CS..Hα-helixtrans-62.4-42.7177.8-13.324.7000112D162 A165 N172 Y178 N179 I180D162-P176 HydrophobicContact CB-CB 4.49Å; D162-P176 HydrophobicContact CB-CG 4.42Å; D162-P176 WeakPolarHBondContact OD1-CB 3.32Å; D162-P176 WeakPolarHBondContact OD1-CG 3.44Å; A165-P176 HydrophobicContact CB-CB 3.6Å; N172-P176 HydrophobicContact CB-CG 4.31Å; N172-P176 WeakPolarHBondContact OD1-CG 3.49Å; P176-Y178 PolarHBondContact O-N 3.06Å; P176-N179 PolarHBondContact O-N 2.78Å; P176-I180 PolarHBondContact O-N 3.4Å
177G95.5Very high95.1Very high19 Ų1952.9 Ų52.920%0.19627%0.273CS..Hα-helixtrans-58-43.317700000113.8S175 I180 E181S175-G177 PolarHBondContact O-N 3.38Å; G177-I180 PolarHBondContact O-N 3.04Å; G177-E181 PolarHBondContact O-N 3.18Å
178Y95.9Very high95.4Very high107 Ų10755.9 Ų55.942%0.4230%0.297SS..Hα-helixtrans-63.7-40.7175.5176.5-96.8000112.1P174 S175 P176 E181 Q182P174-Y178 HydrophobicContact CG-CD1 3.61Å; P174-Y178 HydrophobicContact CG-CE1 4.12Å; P174-Y178 HydrophobicContact CG-CG 4.12Å; S175-Y178 PolarHBondContact O-N 3.26Å; S175-Y178 VanDerWaalsContact OG-CB 3.25Å; S175-Y178 WeakPolarHBondContact OG-CB 3.41Å; S175-Y178 PolarHBondContact OG-N 2.92Å; P176-Y178 PolarHBondContact O-N 3.06Å; Y178-E181 WeakPolarHBondContact O-CB 3.32Å; Y178-E181 PolarHBondContact O-N 3.23Å; Y178-Q182 HydrophobicContact CD1-CG 4.13Å; Y178-Q182 HydrophobicContact CE1-CG 3.65Å; Y178-Q182 HydrophobicContact CE2-CG 4.38Å; Y178-Q182 VanDerWaalsContact CE2-NE2 3.27Å; Y178-Q182 WeakPolarHBondContact O-CG 3.31Å; Y178-Q182 PolarHBondContact O-N 2.85Å
179N97.6Very high95.6Very high27 Ų2761.1 Ų61.114%0.14431%0.314CS..Hα-helixtrans-70.7-36.1180-69.6-32000112.2I170 S171 D173 S175 P176 E181 Q182 M183I170-N179 HydrophobicContact CG2-CB 3.32Å; S171-N179 PolarHBondContact O-ND2 3.29Å; D173-N179 PolarHBondContact O-ND2 2.84Å; S175-N179 PolarHBondContact O-N 2.78Å; S175-N179 PolarHBondContact O-ND2 3.17Å; P176-N179 PolarHBondContact O-N 2.78Å; N179-E181 VanDerWaalsContact C-N 3.29Å; N179-E181 PolarHBondContact O-N 3.23Å; N179-Q182 PolarHBondContact O-N 2.95Å; N179-M183 WeakPolarHBondContact O-CG 3.4Å; N179-M183 PolarHBondContact O-N 3.4Å
180I97.6Very high95.9Very high0 Ų058.5 Ų58.50%030%0.301CS..Hα-helixtrans-58.3-44.4168.2-73.7-178.3000110.2L161 F164 A165 I170 P176 G177 Q182 M183 A184 C230 Q234L161-I180 HydrophobicContact CB-CD1 4.15Å; L161-I180 HydrophobicContact CD2-CD1 4.31Å; L161-I180 HydrophobicContact CD2-CG2 4.32Å; L161-I180 WeakPolarHBondContact O-CD1 3.35Å; F164-I180 HydrophobicContact CD1-CD1 3.91Å; A165-I180 HydrophobicContact CB-CD1 3.87Å; A165-I180 HydrophobicContact CB-CG1 4.16Å; I170-I180 HydrophobicContact CD1-CG1 3.87Å; P176-I180 PolarHBondContact O-N 3.4Å; G177-I180 PolarHBondContact O-N 3.04Å; I180-Q182 PolarHBondContact O-N 3.19Å; I180-M183 PolarHBondContact O-N 3.49Å; I180-A184 VanDerWaalsContact O-CB 3.29Å; I180-A184 WeakPolarHBondContact O-CB 3.39Å; I180-A184 PolarHBondContact O-N 3.32Å; I180-C230 HydrophobicContact CG2-CB 3.95Å; I180-Q234 HydrophobicContact CG2-CG 4.17Å
181E98Very high95.9Very high13 Ų1358.7 Ų58.76%0.06130%0.302CS..Hα-helixtrans-60.1-43.1177.2-173.5-175.2178.500112.8G177 Y178 N179 M183 A184 K185 N266 L267G177-E181 PolarHBondContact O-N 3.18Å; Y178-E181 WeakPolarHBondContact O-CB 3.32Å; Y178-E181 PolarHBondContact O-N 3.23Å; N179-E181 VanDerWaalsContact C-N 3.29Å; N179-E181 PolarHBondContact O-N 3.23Å; E181-M183 VanDerWaalsContact C-N 3.32Å; E181-M183 PolarHBondContact O-N 3.01Å; E181-A184 PolarHBondContact O-N 3.2Å; E181-K185 WeakPolarHBondContact O-CG 3.4Å; E181-K185 PolarHBondContact O-N 3.45Å; E181-N266 WeakPolarHBondContact CG-ND2 3.35Å; E181-L267 WeakPolarHBondContact OE1-CB 3.47Å; E181-L267 PolarHBondContact OE1-N 3.09Å
182Q98.2Very high96Very high54 Ų5464.1 Ų64.125%0.25232%0.322SS..Hα-helixtrans-67.8-33.5177.7-59.1-38-61.200112.7Y178 N179 I180Y178-Q182 HydrophobicContact CD1-CG 4.13Å; Y178-Q182 HydrophobicContact CE1-CG 3.65Å; Y178-Q182 HydrophobicContact CE2-CG 4.38Å; Y178-Q182 VanDerWaalsContact CE2-NE2 3.27Å; Y178-Q182 WeakPolarHBondContact O-CG 3.31Å; Y178-Q182 PolarHBondContact O-N 2.85Å; N179-Q182 PolarHBondContact O-N 2.95Å; I180-Q182 PolarHBondContact O-N 3.19Å
183M97.9Very high96Very high39 Ų3964.1 Ų64.119%0.19232%0.322CS..Hα-helixtrans-73.1-39.8175-72.1-174.965.900112.1I170 N179 I180 E181 K185 K186 G187 A226 E227 C230I170-M183 HydrophobicContact CD1-CE 4.27Å; I170-M183 HydrophobicContact CD1-SD 3.32Å; I170-M183 WeakPolarHBondContact CD1-SD 3.37Å; I170-M183 HydrophobicContact CG1-SD 3.57Å; I170-M183 VanDerWaalsContact CG1-SD 3.57Å; N179-M183 WeakPolarHBondContact O-CG 3.4Å; N179-M183 PolarHBondContact O-N 3.4Å; I180-M183 PolarHBondContact O-N 3.49Å; E181-M183 VanDerWaalsContact C-N 3.32Å; E181-M183 PolarHBondContact O-N 3.01Å; M183-K185 PolarHBondContact O-N 3.04Å; M183-K186 WeakPolarHBondContact O-CB 3.35Å; M183-K186 PolarHBondContact O-N 2.98Å; M183-G187 PolarHBondContact O-N 3.46Å; M183-A226 HydrophobicContact CE-CB 3.68Å; M183-E227 HydrophobicContact CB-CG 4.34Å; M183-E227 HydrophobicContact CE-CG 4.21Å; M183-E227 WeakPolarHBondContact O-CB 3.32Å; M183-C230 HydrophobicContact CB-CB 4.09Å
184A98.1Very high96.2Very high6 Ų661.7 Ų61.75%0.0531%0.311CS..Hα-helixtrans-57.1-35.5177.900000112.4I180 E181 K186 G187 C230 F231 Q234I180-A184 VanDerWaalsContact O-CB 3.29Å; I180-A184 WeakPolarHBondContact O-CB 3.39Å; I180-A184 PolarHBondContact O-N 3.32Å; E181-A184 PolarHBondContact O-N 3.2Å; A184-K186 PolarHBondContact O-N 3.05Å; A184-K186 VanDerWaalsContact O-N 3.1Å; A184-G187 PolarHBondContact O-N 3.48Å; A184-C230 HydrophobicContact CB-CB 4.07Å; A184-F231 HydrophobicContact CB-CB 4.35Å; A184-Q234 HydrophobicContact CB-CG 4.45Å
185K97.9Very high96.5Very high129 Ų12963 Ų6356%0.56131%0.308SS*.THydrogen-bonded Turntrans-60-19.7175.2-69.2172.8-173.4174.90114.5E181 M183E181-K185 WeakPolarHBondContact O-CG 3.4Å; E181-K185 PolarHBondContact O-N 3.45Å; M183-K185 PolarHBondContact O-N 3.04Å
186K97.4Very high96.7Very high153 Ų15362.9 Ų62.967%0.66531%0.305SS*.THydrogen-bonded Turntrans-100.1-8.2178.8-60.3176.3-175.1176.10112.4M183 A184 E227M183-K186 WeakPolarHBondContact O-CB 3.35Å; M183-K186 PolarHBondContact O-N 2.98Å; A184-K186 PolarHBondContact O-N 3.05Å; A184-K186 VanDerWaalsContact O-N 3.1Å; K186-E227 HydrophobicContact CB-CB 4.11Å; K186-E227 HydrophobicContact CB-CG 3.79Å; K186-E227 HydrophobicContact CD-CG 4.38Å
187G96.2Very high96.9Very high17 Ų1763.4 Ų63.418%0.17531%0.308CS..  trans-66.9142.3174.500000110.3M183 A184M183-G187 PolarHBondContact O-N 3.46Å; A184-G187 PolarHBondContact O-N 3.48Å
188S93.6Very high97Very high110 Ų11068.3 Ų68.377%0.76932%0.324SS*.  trans-127.4-16.4-178.4630000112.8D228S188-D228 PolarHBondContact N-OD1 3.25Å
189R94.9Very high97.1Very high142 Ų14265.3 Ų65.354%0.53633%0.325SS..  trans-118.4127.1-178-175.4178.3-178.9169.85.6110.7Q223 D228 S232R189-Q223 PolarHBondContact NH1-O 3.15Å; R189-D228 HydrophobicContact CB-CB 4.33Å; R189-D228 PolarHBondContact N-OD1 3.2Å; R189-D228 WeakPolarHBondContact O-CB 3.45Å; R189-S232 PolarHBondContact O-OG 2.98Å
190Y96.4Very high97.2Very high115 Ų11566.7 Ų66.745%0.45133%0.332SS..  trans-80.2127.2168.4-175.4-110000110.6F231 E235 T236Y190-F231 HydrophobicContact CD2-CE1 4.32Å; Y190-E235 HydrophobicContact CD2-CB 4.41Å; Y190-E235 HydrophobicContact CE2-CB 4.06Å; Y190-T236 PolarHBondContact OH-OG1 3.25Å
191V94.8Very high97.2Very high15 Ų1569.3 Ų69.39%0.09135%0.346CS..  trans-104.4124.2170.9179.40000107.2L193 M218 C224 L229 S232V191-L193 PolarHBondContact O-N 2.95Å; V191-M218 HydrophobicContact CG1-CE 3.89Å; V191-M218 HydrophobicContact CG1-SD 3.9Å; V191-C224 HydrophobicContact CG2-CB 4.13Å; V191-L229 HydrophobicContact CB-CD2 4.43Å; V191-L229 HydrophobicContact CG1-CD2 4.46Å; V191-L229 HydrophobicContact CG2-CD2 4.2Å; V191-S232 PolarHBondContact N-OG 3.48Å; V191-S232 WeakPolarHBondContact O-CB 3.37Å
192E95.4Very high97.3Very high163 Ų16368.7 Ų68.776%0.76234%0.343SS*.  trans-66.6125.7-179.2-166.2174.5175.800110.6
193L96.6Very high97.3Very high12 Ų1267 Ų676%0.06334%0.337CS..  trans-118.9157.1177.1-61.8177000109.4V191 Y195 I207 F210 I211 L233 T236V191-L193 PolarHBondContact O-N 2.95Å; L193-Y195 PolarHBondContact O-N 3.36Å; L193-I207 HydrophobicContact CB-CG2 4.48Å; L193-I207 HydrophobicContact CD1-CG2 4.35Å; L193-F210 HydrophobicContact CD2-CD1 3.64Å; L193-F210 HydrophobicContact CD2-CE1 3.79Å; L193-I211 HydrophobicContact CD1-CD1 4.08Å; L193-I211 HydrophobicContact CD2-CB 4.26Å; L193-I211 HydrophobicContact CD2-CD1 4.29Å; L193-I211 HydrophobicContact CD2-CG1 4.22Å; L193-L233 HydrophobicContact CD1-CB 4.23Å; L193-L233 HydrophobicContact CD1-CD1 4.15Å; L193-T236 HydrophobicContact CB-CG2 4Å
194P97.3Very high97.3Very high43 Ų4365.1 Ų65.128%0.27933%0.328SS..  trans-56.6134175-23.333.2000112T196 I207 F210P194-T196 HydrophobicContact CB-CG2 4.21Å; P194-I207 HydrophobicContact CB-CG1 4.29Å; P194-I207 WeakPolarHBondContact O-CD1 3.24Å; P194-I207 VanDerWaalsContact O-CG1 3.32Å; P194-I207 WeakPolarHBondContact O-CG1 3.45Å; P194-F210 HydrophobicContact CG-CB 4.08Å; P194-F210 HydrophobicContact CG-CD2 4.25Å; P194-F210 HydrophobicContact CG-CG 4.04Å
195Y98.4Very high97.2Very high100 Ų10066.7 Ų66.739%0.39234%0.339SS..  trans-106.6103.8175.4-165.7-80.6000109.9L193 V197 T236 A239 M240 E243L193-Y195 PolarHBondContact O-N 3.36Å; Y195-V197 HydrophobicContact CD1-CG2 4.19Å; Y195-V197 HydrophobicContact CE1-CB 4.19Å; Y195-V197 HydrophobicContact CE1-CG2 3.5Å; Y195-V197 VanDerWaalsContact CE1-CG2 3.5Å; Y195-T236 HydrophobicContact CD2-CG2 4.39Å; Y195-A239 HydrophobicContact CE2-CB 3.91Å; Y195-A239 VanDerWaalsContact OH-C 3.28Å; Y195-A239 PolarHBondContact OH-O 2.79Å; Y195-A239 VanDerWaalsContact OH-O 3.12Å; Y195-M240 HydrophobicContact CD1-CG 4.18Å; Y195-M240 HydrophobicContact CD2-CG 3.79Å; Y195-M240 HydrophobicContact CE1-CG 3.92Å; Y195-M240 HydrophobicContact CE2-CB 4.46Å; Y195-M240 HydrophobicContact CE2-CG 3.51Å; Y195-M240 HydrophobicContact CG-CG 4.12Å; Y195-M240 WeakPolarHBondContact OH-CA 3.2Å; Y195-M240 PolarHBondContact OH-N 2.94Å; Y195-E243 WeakPolarHBondContact CE1-OE2 3.39Å; Y195-E243 PolarHBondContact OH-OE2 2.8Å
196T97.8Very high97.1Very high40 Ų4062.5 Ų62.525%0.24533%0.332CS..  trans-119.760.6-161.841.30000113.7P194 S203P194-T196 HydrophobicContact CB-CG2 4.21Å; T196-S203 PolarHBondContact O-N 2.98Å; T196-S203 PolarHBondContact OG1-O 3.47Å
197V98.7Very high97.1Very high28 Ų2855.2 Ų55.217%0.1730%0.3CS..EExtended strand (participates in β ladder)trans-87.2137.2169.4177.70000110.6Y195 G199 V202 M240 E243 I244Y195-V197 HydrophobicContact CD1-CG2 4.19Å; Y195-V197 HydrophobicContact CE1-CB 4.19Å; Y195-V197 HydrophobicContact CE1-CG2 3.5Å; Y195-V197 VanDerWaalsContact CE1-CG2 3.5Å; V197-G199 WeakPolarHBondContact CG1-O 3.48Å; V197-V202 HydrophobicContact CG2-CG1 4.18Å; V197-M240 HydrophobicContact CG2-CB 3.81Å; V197-M240 HydrophobicContact CG2-CE 4.48Å; V197-M240 HydrophobicContact CG2-CG 3.88Å; V197-E243 VanDerWaalsContact CG1-OE1 3.3Å; V197-E243 WeakPolarHBondContact CG1-OE1 3.18Å; V197-I244 HydrophobicContact CG1-CG2 3.63Å; V197-I244 HydrophobicContact CG2-CG2 4.35Å
198K98.4Very high97.1Very high122 Ų12254.5 Ų54.553%0.5329%0.292SS..EExtended strand (participates in β ladder)trans-129.587.8179.3-67.2-178.7-179.1178.50110.2I153 M200 D201I153-K198 HydrophobicContact CD1-CD 3.79Å; K198-M200 PolarHBondContact O-N 3.23Å; K198-D201 HydrophobicContact CB-CB 4.5Å; K198-D201 PolarHBondContact N-O 3.01Å; K198-D201 WeakPolarHBondContact O-CB 3.07Å; K198-D201 PolarHBondContact O-N 3.44Å
199G98.4Very high97.2Very high43 Ų4352.5 Ų52.544%0.44328%0.278SS..THydrogen-bonded Turntrans66.1-116.9-17300000110.6V197 R247V197-G199 WeakPolarHBondContact CG1-O 3.48Å; G199-R247 VanDerWaalsContact O-CD 3.24Å; G199-R247 WeakPolarHBondContact O-CD 3.25Å; G199-R247 PolarHBondContact O-NH1 3.1Å
200M98.4Very high97.1Very high56 Ų5650 Ų5028%0.27627%0.271SS..THydrogen-bonded Turntrans-96.2-1.6173-69.4-175.7-73.500112.8F149 G150 K198 I244 R247 A248F149-M200 HydrophobicContact CB-SD 4.22Å; F149-M200 VanDerWaalsContact O-CB 3.29Å; F149-M200 WeakPolarHBondContact O-CB 3.46Å; F149-M200 WeakPolarHBondContact O-CE 3.47Å; G150-M200 VanDerWaalsContact CA-O 3.24Å; G150-M200 WeakPolarHBondContact CA-O 3.27Å; K198-M200 PolarHBondContact O-N 3.23Å; M200-I244 WeakPolarHBondContact O-CB 3.39Å; M200-I244 WeakPolarHBondContact O-CG2 3.21Å; M200-R247 HydrophobicContact CG-CB 4.09Å; M200-A248 HydrophobicContact SD-CB 4.23Å
201D98.8Very high96.9Very high55 Ų5544.5 Ų44.529%0.29425%0.25SC..EExtended strand (participates in β ladder)trans-95.8161.7-180-61-35.4000112.4G150 E151 I153 K198G150-D201 WeakPolarHBondContact CA-OD1 3.48Å; E151-D201 PolarHBondContact N-OD1 2.99Å; E151-D201 VanDerWaalsContact O-CA 3.32Å; E151-D201 WeakPolarHBondContact O-CA 3.32Å; E151-D201 WeakPolarHBondContact O-CB 3.48Å; I153-D201 HydrophobicContact CG2-CB 4.02Å; K198-D201 HydrophobicContact CB-CB 4.5Å; K198-D201 PolarHBondContact N-O 3.01Å; K198-D201 WeakPolarHBondContact O-CB 3.07Å; K198-D201 PolarHBondContact O-N 3.44Å
202V98.8Very high96.7Very high0 Ų045.9 Ų45.90%026%0.255CS..EExtended strand (participates in β ladder)trans-132.3154.9178.5-78.60000111.8T136 E151 T152 I153 V197 F204 M240 I244T136-V202 HydrophobicContact CG2-CG2 3.95Å; E151-V202 PolarHBondContact O-N 3.08Å; E151-V202 VanDerWaalsContact O-N 3.17Å; T152-V202 VanDerWaalsContact CA-O 3.3Å; T152-V202 WeakPolarHBondContact CA-O 3.22Å; I153-V202 WeakPolarHBondContact CG1-O 3.2Å; I153-V202 PolarHBondContact N-O 2.84Å; V197-V202 HydrophobicContact CG2-CG1 4.18Å; V202-F204 HydrophobicContact CB-CE2 3.93Å; V202-F204 HydrophobicContact CB-CZ 3.82Å; V202-F204 HydrophobicContact CG1-CZ 4.41Å; V202-F204 HydrophobicContact CG2-CD2 4.44Å; V202-F204 HydrophobicContact CG2-CE2 3.44Å; V202-F204 VanDerWaalsContact CG2-CE2 3.44Å; V202-F204 HydrophobicContact CG2-CZ 3.59Å; V202-M240 HydrophobicContact CB-CE 4.2Å; V202-M240 HydrophobicContact CG1-CB 4.24Å; V202-M240 HydrophobicContact CG1-CE 4Å; V202-I244 HydrophobicContact CG1-CD1 3.79Å; V202-I244 HydrophobicContact CG1-CG1 4.39Å; V202-I244 HydrophobicContact CG1-CG2 3.8Å; V202-I244 HydrophobicContact CG2-CD1 3.97Å
203S98.6Very high96.3Very high19 Ų1943.9 Ų43.913%0.13325%0.246CC..  trans-134.8129.9172.9170.50000109.4D154 T196D154-S203 PolarHBondContact OD2-OG 3.44Å; T196-S203 PolarHBondContact O-N 2.98Å; T196-S203 PolarHBondContact OG1-O 3.47Å
204F98.6Very high95.7Very high0 Ų044 Ų440%025%0.249CC..  trans-114.4-13.1-176.2-57.3-77.5000113.5T136 D154 I155 V157 C160 V202 G206 I207 L208 V237 M240 L241T136-F204 HydrophobicContact CG2-CE2 3.93Å; T136-F204 HydrophobicContact CG2-CZ 4.24Å; D154-F204 PolarHBondContact OD1-N 2.92Å; D154-F204 PolarHBondContact OD2-N 3.19Å; I155-F204 HydrophobicContact CD1-CB 4.28Å; I155-F204 HydrophobicContact CG1-CB 3.88Å; I155-F204 VanDerWaalsContact O-CD2 3.27Å; I155-F204 WeakPolarHBondContact O-CD2 3.45Å; V157-F204 HydrophobicContact CB-CD2 4.46Å; V157-F204 HydrophobicContact CB-CE1 4.17Å; V157-F204 HydrophobicContact CB-CE2 3.97Å; V157-F204 HydrophobicContact CB-CZ 3.82Å; V157-F204 HydrophobicContact CG2-CD1 4.38Å; V157-F204 HydrophobicContact CG2-CE1 3.94Å; V157-F204 HydrophobicContact CG2-CZ 4.07Å; C160-F204 HydrophobicContact CB-CB 4.04Å; V202-F204 HydrophobicContact CB-CE2 3.93Å; V202-F204 HydrophobicContact CB-CZ 3.82Å; V202-F204 HydrophobicContact CG1-CZ 4.41Å; V202-F204 HydrophobicContact CG2-CD2 4.44Å; V202-F204 HydrophobicContact CG2-CE2 3.44Å; V202-F204 VanDerWaalsContact CG2-CE2 3.44Å; V202-F204 HydrophobicContact CG2-CZ 3.59Å; F204-G206 VanDerWaalsContact C-N 3.34Å; F204-G206 PolarHBondContact O-N 2.86Å; F204-I207 HydrophobicContact CD1-CD1 4.3Å; F204-I207 WeakPolarHBondContact O-CB 3.49Å; F204-I207 PolarHBondContact O-N 2.89Å; F204-L208 PolarHBondContact O-N 3.25Å; F204-V237 HydrophobicContact CD1-CB 4.24Å; F204-V237 HydrophobicContact CD1-CG1 3.95Å; F204-V237 HydrophobicContact CE1-CB 3.96Å; F204-V237 HydrophobicContact CE1-CG1 4.18Å; F204-M240 HydrophobicContact CD1-CE 4.21Å; F204-M240 HydrophobicContact CE1-CE 3.92Å; F204-L241 HydrophobicContact CZ-CD2 3.97Å
205S96.5Very high95Very high39 Ų3942 Ų4227%0.27324%0.236SC..Hα-helixtrans-63.5-39.8-176.9-55.50000112.4D154 I207 L208 S209D154-S205 WeakPolarHBondContact CB-OG 3.42Å; D154-S205 WeakPolarHBondContact OD2-CB 3.31Å; D154-S205 PolarHBondContact OD2-N 3.43Å; D154-S205 PolarHBondContact OD2-OG 3.29Å; S205-I207 VanDerWaalsContact C-N 3.34Å; S205-I207 PolarHBondContact O-N 3.46Å; S205-L208 PolarHBondContact O-N 3.35Å; S205-S209 PolarHBondContact O-N 3.17Å; S205-S209 PolarHBondContact O-OG 3.37Å
206G96.1Very high94.1Very high41 Ų4142.1 Ų42.142%0.42324%0.243SC..Hα-helixtrans-63.9-38.9177.100000112.7F204 F210F204-G206 VanDerWaalsContact C-N 3.34Å; F204-G206 PolarHBondContact O-N 2.86Å; G206-F210 VanDerWaalsContact O-CB 3.29Å; G206-F210 WeakPolarHBondContact O-CB 3.33Å; G206-F210 PolarHBondContact O-N 3.44Å
207I97.1Very high93.5Very high0 Ų045.9 Ų45.90%026%0.256CS..Hα-helixtrans-64.2-47.2175.3-56.4177.4000109.8L193 P194 F204 S205 F210 I211 L233 T236 V237 M240L193-I207 HydrophobicContact CB-CG2 4.48Å; L193-I207 HydrophobicContact CD1-CG2 4.35Å; P194-I207 HydrophobicContact CB-CG1 4.29Å; P194-I207 WeakPolarHBondContact O-CD1 3.24Å; P194-I207 VanDerWaalsContact O-CG1 3.32Å; P194-I207 WeakPolarHBondContact O-CG1 3.45Å; F204-I207 HydrophobicContact CD1-CD1 4.3Å; F204-I207 WeakPolarHBondContact O-CB 3.49Å; F204-I207 PolarHBondContact O-N 2.89Å; S205-I207 VanDerWaalsContact C-N 3.34Å; S205-I207 PolarHBondContact O-N 3.46Å; I207-F210 PolarHBondContact O-N 2.86Å; I207-I211 WeakPolarHBondContact O-CG2 3.3Å; I207-I211 PolarHBondContact O-N 3.38Å; I207-L233 HydrophobicContact CG2-CD1 3.78Å; I207-T236 HydrophobicContact CD1-CG2 4.43Å; I207-V237 HydrophobicContact CD1-CG1 4.23Å; I207-V237 HydrophobicContact CG2-CG1 4.45Å; I207-M240 HydrophobicContact CD1-CE 3.89Å; I207-M240 HydrophobicContact CD1-SD 3.45Å; I207-M240 WeakPolarHBondContact CD1-SD 3.4Å
208L96.2Very high92.9Very high1 Ų146.4 Ų46.41%0.00526%0.257CS..Hα-helixtrans-62-46.9179.7-17959.9000112I155 R163 F164 F204 S205 F210 I211 E212I155-L208 HydrophobicContact CD1-CB 4.44Å; I155-L208 HydrophobicContact CD1-CD2 3.76Å; R163-L208 HydrophobicContact CB-CD1 4.06Å; R163-L208 HydrophobicContact CB-CD2 3.76Å; R163-L208 HydrophobicContact CG-CD2 4.32Å; F164-L208 HydrophobicContact CB-CD1 4.19Å; F204-L208 PolarHBondContact O-N 3.25Å; S205-L208 PolarHBondContact O-N 3.35Å; L208-F210 VanDerWaalsContact C-N 3.34Å; L208-F210 PolarHBondContact O-N 3.02Å; L208-I211 HydrophobicContact CD1-CG2 4.38Å; L208-I211 WeakPolarHBondContact O-CG2 3.26Å; L208-I211 PolarHBondContact O-N 3.34Å; L208-E212 HydrophobicContact CD1-CG 4.06Å; L208-E212 HydrophobicContact CG-CG 4.34Å; L208-E212 VanDerWaalsContact O-CB 3.25Å; L208-E212 WeakPolarHBondContact O-CB 3.12Å; L208-E212 WeakPolarHBondContact O-CG 3.25Å; L208-E212 PolarHBondContact O-N 2.89Å
209S94.5Very high92.3Very high68 Ų6843.6 Ų43.648%0.47625%0.248SC..Hα-helixtrans-64.7-39.6177.9-64.70000112.1S205 E212 E213S205-S209 PolarHBondContact O-N 3.17Å; S205-S209 PolarHBondContact O-OG 3.37Å; S209-E212 PolarHBondContact O-N 3.05Å; S209-E213 PolarHBondContact O-N 3.23Å; S209-E213 VanDerWaalsContact O-N 3.08Å
210F94.1Very high91.7Very high89 Ų8946.5 Ų46.539%0.3926%0.261SS..Hα-helixtrans-61.1-50.8175.5-178.3-87.6000111.2L193 P194 G206 I207 L208 E212 E213 A214L193-F210 HydrophobicContact CD2-CD1 3.64Å; L193-F210 HydrophobicContact CD2-CE1 3.79Å; P194-F210 HydrophobicContact CG-CB 4.08Å; P194-F210 HydrophobicContact CG-CD2 4.25Å; P194-F210 HydrophobicContact CG-CG 4.04Å; G206-F210 VanDerWaalsContact O-CB 3.29Å; G206-F210 WeakPolarHBondContact O-CB 3.33Å; G206-F210 PolarHBondContact O-N 3.44Å; I207-F210 PolarHBondContact O-N 2.86Å; L208-F210 VanDerWaalsContact C-N 3.34Å; L208-F210 PolarHBondContact O-N 3.02Å; F210-E212 VanDerWaalsContact C-N 3.34Å; F210-E212 PolarHBondContact O-N 3.36Å; F210-E213 PolarHBondContact O-N 2.76Å; F210-A214 HydrophobicContact CD1-CB 4.37Å; F210-A214 HydrophobicContact CE1-CB 4.17Å; F210-A214 WeakPolarHBondContact O-CB 2.93Å; F210-A214 PolarHBondContact O-N 3.24Å
211I92.1Very high91.2Very high0 Ų046.9 Ų46.90%027%0.269CS..Hα-helixtrans-69.6-32.2-178.6-156.2173.6000111.6F164 L193 I207 L208 A215 L229 L233F164-I211 HydrophobicContact CD2-CB 4.5Å; F164-I211 HydrophobicContact CD2-CD1 3.98Å; F164-I211 HydrophobicContact CD2-CG1 4.12Å; F164-I211 HydrophobicContact CD2-CG2 3.65Å; F164-I211 HydrophobicContact CE1-CD1 4.27Å; F164-I211 HydrophobicContact CE2-CB 4.46Å; F164-I211 HydrophobicContact CE2-CD1 3.58Å; F164-I211 HydrophobicContact CE2-CG1 3.65Å; F164-I211 HydrophobicContact CE2-CG2 4.07Å; F164-I211 HydrophobicContact CG-CD1 4.5Å; F164-I211 HydrophobicContact CG-CG2 4.41Å; F164-I211 HydrophobicContact CZ-CD1 3.75Å; F164-I211 HydrophobicContact CZ-CG1 4.23Å; L193-I211 HydrophobicContact CD1-CD1 4.08Å; L193-I211 HydrophobicContact CD2-CB 4.26Å; L193-I211 HydrophobicContact CD2-CD1 4.29Å; L193-I211 HydrophobicContact CD2-CG1 4.22Å; I207-I211 WeakPolarHBondContact O-CG2 3.3Å; I207-I211 PolarHBondContact O-N 3.38Å; L208-I211 HydrophobicContact CD1-CG2 4.38Å; L208-I211 WeakPolarHBondContact O-CG2 3.26Å; L208-I211 PolarHBondContact O-N 3.34Å; I211-A215 WeakPolarHBondContact O-CA 3.36Å; I211-A215 WeakPolarHBondContact O-CB 3.34Å; I211-A215 PolarHBondContact O-N 3.13Å; I211-L229 HydrophobicContact CD1-CB 4.36Å; I211-L229 HydrophobicContact CD1-CD2 4.49Å; I211-L229 HydrophobicContact CG1-CD2 4.37Å; I211-L233 HydrophobicContact CD1-CB 3.94Å; I211-L233 HydrophobicContact CD1-CD1 4.24Å; I211-L233 HydrophobicContact CD1-CD2 4.35Å; I211-L233 HydrophobicContact CD1-CG 4.41Å
212E89.6Confident90.5Very high45 Ų4547.3 Ų47.321%0.2129%0.286CS..Hα-helixtrans-61.7-43.7173.4-82176.6172.100112R163 V167 L208 S209 F210 N216R163-E212 IonicContact CZ-OE1 2.71Å; R163-E212 IonicContact NE-OE1 2.79Å; R163-E212 IonicContact NH2-OE1 3.49Å; R163-E212 PolarHBondContact NH2-OE1 3.02Å; R163-E212 IonicContact NH2-OE2 3.73Å; R163-E212 PolarHBondContact NH2-OE2 2.73Å; V167-E212 HydrophobicContact CG1-CG 4.44Å; V167-E212 HydrophobicContact CG2-CG 3.61Å; L208-E212 HydrophobicContact CD1-CG 4.06Å; L208-E212 HydrophobicContact CG-CG 4.34Å; L208-E212 VanDerWaalsContact O-CB 3.25Å; L208-E212 WeakPolarHBondContact O-CB 3.12Å; L208-E212 WeakPolarHBondContact O-CG 3.25Å; L208-E212 PolarHBondContact O-N 2.89Å; S209-E212 PolarHBondContact O-N 3.05Å; F210-E212 VanDerWaalsContact C-N 3.34Å; F210-E212 PolarHBondContact O-N 3.36Å; E212-N216 PolarHBondContact O-ND2 2.89Å; E212-N216 VanDerWaalsContact O-ND2 3.09Å
213E87.6Confident89.9Confident121 Ų12152.8 Ų52.857%0.56531%0.312SS*.Hα-helixtrans-74.2-45.8178.2-166.9-169.8153.900111.9S209 F210 K217S209-E213 PolarHBondContact O-N 3.23Å; S209-E213 VanDerWaalsContact O-N 3.08Å; F210-E213 PolarHBondContact O-N 2.76Å; E213-K217 IonicContact OE1-NZ 3.3Å; E213-K217 PolarHBondContact OE1-NZ 3Å
214A83.7Confident89.6Confident15 Ų1552.4 Ų52.412%0.12431%0.31CS..Hα-helixtrans-70.1-40.7-176.200000111.9F210 N216 K217 M218F210-A214 HydrophobicContact CD1-CB 4.37Å; F210-A214 HydrophobicContact CE1-CB 4.17Å; F210-A214 WeakPolarHBondContact O-CB 2.93Å; F210-A214 PolarHBondContact O-N 3.24Å; A214-N216 VanDerWaalsContact C-N 3.34Å; A214-N216 PolarHBondContact O-N 3.2Å; A214-K217 PolarHBondContact O-N 3.19Å; A214-M218 HydrophobicContact CB-CE 4.01Å; A214-M218 HydrophobicContact CB-SD 4.11Å; A214-M218 WeakPolarHBondContact O-CB 3.21Å; A214-M218 VanDerWaalsContact O-CG 3.26Å; A214-M218 WeakPolarHBondContact O-CG 3.26Å; A214-M218 PolarHBondContact O-N 2.97Å
215A82.3Confident89.4Confident0 Ų055.4 Ų55.40%033%0.328CS..Hα-helixtrans-57-46.3-176.400000111.7F164 I211 K217 M218 L219 L229F164-A215 HydrophobicContact CE2-CB 4.33Å; I211-A215 WeakPolarHBondContact O-CA 3.36Å; I211-A215 WeakPolarHBondContact O-CB 3.34Å; I211-A215 PolarHBondContact O-N 3.13Å; A215-K217 VanDerWaalsContact C-N 3.34Å; A215-K217 PolarHBondContact O-N 3.23Å; A215-M218 PolarHBondContact O-N 2.66Å; A215-L219 HydrophobicContact CB-CD1 4.32Å; A215-L219 WeakPolarHBondContact O-CB 3.38Å; A215-L219 WeakPolarHBondContact O-CD1 3.16Å; A215-L219 WeakPolarHBondContact O-CG 3.31Å; A215-L219 PolarHBondContact O-N 3.14Å; A215-L229 HydrophobicContact CB-CD1 3.57Å
216N80.4Confident89.3Confident102 Ų10254.5 Ų54.555%0.54532%0.323SS..Hα-helixtrans-59.7-45.1-179.2-73.5-50.2000111.9E212 A214 S220E212-N216 PolarHBondContact O-ND2 2.89Å; E212-N216 VanDerWaalsContact O-ND2 3.09Å; A214-N216 VanDerWaalsContact C-N 3.34Å; A214-N216 PolarHBondContact O-N 3.2Å; N216-S220 VanDerWaalsContact O-CB 3.3Å; N216-S220 WeakPolarHBondContact O-CB 3.23Å; N216-S220 PolarHBondContact O-N 2.87Å; N216-S220 VanDerWaalsContact O-N 3.09Å; N216-S220 PolarHBondContact O-OG 3.14Å
217K85.4Confident89.3Confident120 Ų12055.2 Ų55.252%0.52232%0.315SS..Hα-helixtrans-69.8-43.9179.7-66.1172.8-177.6166.90111.9E213 A214 A215 S220 S221E213-K217 IonicContact OE1-NZ 3.3Å; E213-K217 PolarHBondContact OE1-NZ 3Å; A214-K217 PolarHBondContact O-N 3.19Å; A215-K217 VanDerWaalsContact C-N 3.34Å; A215-K217 PolarHBondContact O-N 3.23Å; K217-S220 PolarHBondContact O-OG 2.92Å; K217-S220 VanDerWaalsContact O-OG 3.04Å; K217-S221 WeakPolarHBondContact O-CB 3.14Å; K217-S221 PolarHBondContact O-N 2.91Å; K217-S221 PolarHBondContact O-OG 3.33Å
218M85.3Confident89.3Confident39 Ų3955.6 Ų55.619%0.19232%0.317CS..Hα-helixtrans-69.5-40.5-177.5-69.3177.2174.700111.9V191 A214 A215 S221 G222 Q223 C224 L229V191-M218 HydrophobicContact CG1-CE 3.89Å; V191-M218 HydrophobicContact CG1-SD 3.9Å; A214-M218 HydrophobicContact CB-CE 4.01Å; A214-M218 HydrophobicContact CB-SD 4.11Å; A214-M218 WeakPolarHBondContact O-CB 3.21Å; A214-M218 VanDerWaalsContact O-CG 3.26Å; A214-M218 WeakPolarHBondContact O-CG 3.26Å; A214-M218 PolarHBondContact O-N 2.97Å; A215-M218 PolarHBondContact O-N 2.66Å; M218-S221 PolarHBondContact O-OG 3.3Å; M218-G222 PolarHBondContact O-N 3.43Å; M218-G222 VanDerWaalsContact O-N 3.12Å; M218-Q223 HydrophobicContact CB-CB 4.49Å; M218-Q223 PolarHBondContact O-N 3.39Å; M218-C224 VanDerWaalsContact CB-SG 3.57Å; M218-L229 HydrophobicContact SD-CD2 4.36Å
219L85.3Confident89.3Confident63 Ų6355.6 Ų55.633%0.3332%0.317SS..Hα-helixtrans-67.7-43.9175.7-67170.7000111.1I168 A215 S221 G222 A226 L229I168-L219 HydrophobicContact CG2-CD1 3.99Å; A215-L219 HydrophobicContact CB-CD1 4.32Å; A215-L219 WeakPolarHBondContact O-CB 3.38Å; A215-L219 WeakPolarHBondContact O-CD1 3.16Å; A215-L219 WeakPolarHBondContact O-CG 3.31Å; A215-L219 PolarHBondContact O-N 3.14Å; L219-S221 VanDerWaalsContact C-N 3.29Å; L219-S221 PolarHBondContact O-N 3.26Å; L219-G222 PolarHBondContact O-N 2.73Å; L219-A226 HydrophobicContact CD2-CB 4.23Å; L219-L229 HydrophobicContact CD1-CD1 4.26Å; L219-L229 HydrophobicContact CD2-CD1 4.19Å; L219-L229 HydrophobicContact CG-CD1 4.09Å
220S85.6Confident89.4Confident103 Ų10352.4 Ų52.472%0.7230%0.295SS*.Hα-helixtrans-67.7-29.6179.665.90000113.3N216 K217N216-S220 VanDerWaalsContact O-CB 3.3Å; N216-S220 WeakPolarHBondContact O-CB 3.23Å; N216-S220 PolarHBondContact O-N 2.87Å; N216-S220 VanDerWaalsContact O-N 3.09Å; N216-S220 PolarHBondContact O-OG 3.14Å; K217-S220 PolarHBondContact O-OG 2.92Å; K217-S220 VanDerWaalsContact O-OG 3.04Å
221S88.1Confident89.6Confident64 Ų6450.6 Ų50.645%0.44829%0.287SS..THydrogen-bonded Turntrans-89.3-4.517858.20000113.7K217 M218 L219 Q223K217-S221 WeakPolarHBondContact O-CB 3.14Å; K217-S221 PolarHBondContact O-N 2.91Å; K217-S221 PolarHBondContact O-OG 3.33Å; M218-S221 PolarHBondContact O-OG 3.3Å; L219-S221 VanDerWaalsContact C-N 3.29Å; L219-S221 PolarHBondContact O-N 3.26Å; S221-Q223 PolarHBondContact O-N 3.1Å; S221-Q223 WeakPolarHBondContact OG-CG 3.07Å
222G84.7Confident89.9Confident64 Ų6450.6 Ų50.666%0.6629%0.287SS*.THydrogen-bonded Turntrans67.120.1-177.800000114.2M218 L219M218-G222 PolarHBondContact O-N 3.43Å; M218-G222 VanDerWaalsContact O-N 3.12Å; L219-G222 PolarHBondContact O-N 2.73Å
223Q87.2Confident90.3Very high115 Ų11548.5 Ų48.554%0.53728%0.277SS..SBendtrans-71.7-30.9-180-73.7177.64.100112.5R189 M218 S221R189-Q223 PolarHBondContact NH1-O 3.15Å; M218-Q223 HydrophobicContact CB-CB 4.49Å; M218-Q223 PolarHBondContact O-N 3.39Å; S221-Q223 PolarHBondContact O-N 3.1Å; S221-Q223 WeakPolarHBondContact OG-CG 3.07Å
224C91Very high90.9Very high12 Ų1242.9 Ų42.98%0.08125%0.251CS..SBendtrans-148.2166.817471.80000110.4V191 M218 D228V191-C224 HydrophobicContact CG2-CB 4.13Å; M218-C224 VanDerWaalsContact CB-SG 3.57Å; C224-D228 HydrophobicContact CB-CB 4.05Å
225T94.1Very high91.6Very high62 Ų6243.7 Ų43.738%0.3825%0.252SS..  trans-94.1168.4174.263.80000111.5E227 D228 L229T225-E227 WeakPolarHBondContact CB-OE2 3.3Å; T225-E227 PolarHBondContact O-N 3.48Å; T225-D228 WeakPolarHBondContact CB-OD2 3.36Å; T225-D228 PolarHBondContact N-OD2 3.38Å; T225-D228 PolarHBondContact O-N 3.45Å; T225-D228 PolarHBondContact OG1-N 3.22Å; T225-D228 PolarHBondContact OG1-OD2 3.11Å; T225-L229 PolarHBondContact O-N 3.38Å
226A94.3Very high92.4Very high20 Ų2043.8 Ų43.817%0.16525%0.253CS..Hα-helixtrans-66.7-32.9173.200000110.8I168 M183 L219 L229 C230I168-A226 HydrophobicContact CD1-CB 4.38Å; M183-A226 HydrophobicContact CE-CB 3.68Å; L219-A226 HydrophobicContact CD2-CB 4.23Å; A226-L229 PolarHBondContact O-N 3.07Å; A226-C230 PolarHBondContact O-N 3.46Å; A226-C230 PolarHBondContact O-SG 3.05Å
227E96.9Very high93.2Very high57 Ų5739 Ų3927%0.26623%0.227SC..Hα-helixtrans-61-44.8173.1-66.776.8-176.700111.6M183 K186 T225 L229 C230 F231M183-E227 HydrophobicContact CB-CG 4.34Å; M183-E227 HydrophobicContact CE-CG 4.21Å; M183-E227 WeakPolarHBondContact O-CB 3.32Å; K186-E227 HydrophobicContact CB-CB 4.11Å; K186-E227 HydrophobicContact CB-CG 3.79Å; K186-E227 HydrophobicContact CD-CG 4.38Å; T225-E227 WeakPolarHBondContact CB-OE2 3.3Å; T225-E227 PolarHBondContact O-N 3.48Å; E227-L229 VanDerWaalsContact C-N 3.32Å; E227-L229 PolarHBondContact O-N 2.93Å; E227-C230 PolarHBondContact O-N 3.05Å; E227-F231 WeakPolarHBondContact O-CB 3.45Å; E227-F231 PolarHBondContact O-N 2.97Å
228D96.9Very high93.9Very high8 Ų833.2 Ų33.24%0.04320%0.202CC..Hα-helixtrans-61.9-39.2175.3-64.9-42.1000112S188 R189 C224 T225 F231 S232S188-D228 PolarHBondContact N-OD1 3.25Å; R189-D228 HydrophobicContact CB-CB 4.33Å; R189-D228 PolarHBondContact N-OD1 3.2Å; R189-D228 WeakPolarHBondContact O-CB 3.45Å; C224-D228 HydrophobicContact CB-CB 4.05Å; T225-D228 WeakPolarHBondContact CB-OD2 3.36Å; T225-D228 PolarHBondContact N-OD2 3.38Å; T225-D228 PolarHBondContact O-N 3.45Å; T225-D228 PolarHBondContact OG1-N 3.22Å; T225-D228 PolarHBondContact OG1-OD2 3.11Å; D228-F231 PolarHBondContact O-N 3.05Å; D228-S232 VanDerWaalsContact O-CB 3.32Å; D228-S232 WeakPolarHBondContact O-CB 3.37Å; D228-S232 PolarHBondContact O-N 3.01Å; D228-S232 PolarHBondContact O-OG 2.81Å
229L96.4Very high94.5Very high1 Ų132.8 Ų32.81%0.00520%0.204CC..Hα-helixtrans-70.1-39.3176.6-66.3174.2000112.2F164 V191 I211 A215 M218 L219 T225 A226 E227 F231 S232 L233F164-L229 HydrophobicContact CE1-CB 4.34Å; F164-L229 HydrophobicContact CZ-CB 3.66Å; F164-L229 HydrophobicContact CZ-CD1 4.34Å; V191-L229 HydrophobicContact CB-CD2 4.43Å; V191-L229 HydrophobicContact CG1-CD2 4.46Å; V191-L229 HydrophobicContact CG2-CD2 4.2Å; I211-L229 HydrophobicContact CD1-CB 4.36Å; I211-L229 HydrophobicContact CD1-CD2 4.49Å; I211-L229 HydrophobicContact CG1-CD2 4.37Å; A215-L229 HydrophobicContact CB-CD1 3.57Å; M218-L229 HydrophobicContact SD-CD2 4.36Å; L219-L229 HydrophobicContact CD1-CD1 4.26Å; L219-L229 HydrophobicContact CD2-CD1 4.19Å; L219-L229 HydrophobicContact CG-CD1 4.09Å; T225-L229 PolarHBondContact O-N 3.38Å; A226-L229 PolarHBondContact O-N 3.07Å; E227-L229 VanDerWaalsContact C-N 3.32Å; E227-L229 PolarHBondContact O-N 2.93Å; L229-F231 VanDerWaalsContact C-N 3.33Å; L229-S232 PolarHBondContact O-N 3.44Å; L229-L233 VanDerWaalsContact O-CB 3.25Å; L229-L233 WeakPolarHBondContact O-CB 3.41Å; L229-L233 PolarHBondContact O-N 3.34Å
230C97.4Very high95.2Very high0 Ų029.8 Ų29.80%019%0.189CC..Hα-helixtrans-60.5-45.3173.3-68.70000111I180 M183 A184 A226 E227 Q234I180-C230 HydrophobicContact CG2-CB 3.95Å; M183-C230 HydrophobicContact CB-CB 4.09Å; A184-C230 HydrophobicContact CB-CB 4.07Å; A226-C230 PolarHBondContact O-N 3.46Å; A226-C230 PolarHBondContact O-SG 3.05Å; E227-C230 PolarHBondContact O-N 3.05Å; C230-Q234 WeakPolarHBondContact O-CG 3.47Å; C230-Q234 PolarHBondContact O-N 3.4Å; C230-Q234 VanDerWaalsContact O-N 3.1Å
231F98.3Very high95.8Very high52 Ų5224.9 Ų24.923%0.22815%0.154CC..Hα-helixtrans-58.5-54.9174.5167.8-112.6000111.4A184 Y190 E227 D228 L229 L233 Q234 E235A184-F231 HydrophobicContact CB-CB 4.35Å; Y190-F231 HydrophobicContact CD2-CE1 4.32Å; E227-F231 WeakPolarHBondContact O-CB 3.45Å; E227-F231 PolarHBondContact O-N 2.97Å; D228-F231 PolarHBondContact O-N 3.05Å; L229-F231 VanDerWaalsContact C-N 3.33Å; F231-L233 VanDerWaalsContact C-N 3.32Å; F231-L233 PolarHBondContact O-N 2.97Å; F231-Q234 PolarHBondContact O-N 2.88Å; F231-Q234 VanDerWaalsContact O-N 3.14Å; F231-E235 HydrophobicContact CD2-CG 3.87Å; F231-E235 HydrophobicContact CE1-CG 4.38Å; F231-E235 HydrophobicContact CE2-CG 3.41Å; F231-E235 VanDerWaalsContact CE2-CG 3.41Å; F231-E235 HydrophobicContact CZ-CG 3.7Å; F231-E235 WeakPolarHBondContact O-CG 3.14Å; F231-E235 PolarHBondContact O-N 3.13Å
232S98Very high96.3Very high0 Ų022.7 Ų22.70%014%0.138CC..Hα-helixtrans-61.5-39.8-176.5-54.70000112.7R189 V191 D228 L229 T236R189-S232 PolarHBondContact O-OG 2.98Å; V191-S232 PolarHBondContact N-OG 3.48Å; V191-S232 WeakPolarHBondContact O-CB 3.37Å; D228-S232 VanDerWaalsContact O-CB 3.32Å; D228-S232 WeakPolarHBondContact O-CB 3.37Å; D228-S232 PolarHBondContact O-N 3.01Å; D228-S232 PolarHBondContact O-OG 2.81Å; L229-S232 PolarHBondContact O-N 3.44Å; S232-T236 WeakPolarHBondContact O-CB 3.13Å; S232-T236 PolarHBondContact O-N 2.94Å; S232-T236 PolarHBondContact O-OG1 3.02Å
233L98.2Very high97Very high0 Ų022 Ų220%012%0.118CC..Hα-helixtrans-62.9-47175.6-177.163000111.1L161 F164 L193 I207 I211 L229 F231 T236 V237L161-L233 HydrophobicContact CD2-CD2 3.91Å; L161-L233 HydrophobicContact CD2-CG 4.21Å; F164-L233 HydrophobicContact CB-CD2 3.78Å; F164-L233 HydrophobicContact CD1-CD2 3.42Å; F164-L233 VanDerWaalsContact CD1-CD2 3.42Å; F164-L233 HydrophobicContact CE1-CD2 4.17Å; F164-L233 HydrophobicContact CG-CD2 3.65Å; L193-L233 HydrophobicContact CD1-CB 4.23Å; L193-L233 HydrophobicContact CD1-CD1 4.15Å; I207-L233 HydrophobicContact CG2-CD1 3.78Å; I211-L233 HydrophobicContact CD1-CB 3.94Å; I211-L233 HydrophobicContact CD1-CD1 4.24Å; I211-L233 HydrophobicContact CD1-CD2 4.35Å; I211-L233 HydrophobicContact CD1-CG 4.41Å; L229-L233 VanDerWaalsContact O-CB 3.25Å; L229-L233 WeakPolarHBondContact O-CB 3.41Å; L229-L233 PolarHBondContact O-N 3.34Å; F231-L233 VanDerWaalsContact C-N 3.32Å; F231-L233 PolarHBondContact O-N 2.97Å; L233-T236 PolarHBondContact O-N 3.48Å; L233-V237 HydrophobicContact CD1-CG1 3.85Å; L233-V237 HydrophobicContact CG-CG1 4.5Å; L233-V237 WeakPolarHBondContact O-CG1 3.42Å; L233-V237 VanDerWaalsContact O-CG2 3.25Å; L233-V237 WeakPolarHBondContact O-CG2 3.28Å; L233-V237 PolarHBondContact O-N 3.49Å
234Q98.6Very high97.5Very high4 Ų416.6 Ų16.62%0.0199%0.092CC..Hα-helixtrans-60.9-51.1177.9-77.8-165.4-4.900111.9I180 A184 C230 F231 T236 V237 F238 N266I180-Q234 HydrophobicContact CG2-CG 4.17Å; A184-Q234 HydrophobicContact CB-CG 4.45Å; C230-Q234 WeakPolarHBondContact O-CG 3.47Å; C230-Q234 PolarHBondContact O-N 3.4Å; C230-Q234 VanDerWaalsContact O-N 3.1Å; F231-Q234 PolarHBondContact O-N 2.88Å; F231-Q234 VanDerWaalsContact O-N 3.14Å; Q234-T236 VanDerWaalsContact C-N 3.27Å; Q234-T236 PolarHBondContact O-N 3.23Å; Q234-V237 PolarHBondContact O-N 3.35Å; Q234-F238 HydrophobicContact CB-CD2 3.87Å; Q234-F238 HydrophobicContact CB-CE2 3.6Å; Q234-F238 HydrophobicContact CB-CZ 4.27Å; Q234-F238 HydrophobicContact CG-CD2 4.34Å; Q234-F238 HydrophobicContact CG-CE2 3.57Å; Q234-F238 HydrophobicContact CG-CZ 3.86Å; Q234-F238 WeakPolarHBondContact O-CB 3.24Å; Q234-F238 VanDerWaalsContact O-CD2 3.28Å; Q234-F238 WeakPolarHBondContact O-CD2 3.49Å; Q234-F238 WeakPolarHBondContact O-CG 3.14Å; Q234-F238 PolarHBondContact O-N 3.18Å; Q234-N266 PolarHBondContact NE2-ND2 2.64Å
235E98.6Very high97.9Very high32 Ų3216 Ų1615%0.159%0.089CC..Hα-helixtrans-56.2-44.4179.2-66.8-53.8119.200111.5Y190 F231 A239 R268Y190-E235 HydrophobicContact CD2-CB 4.41Å; Y190-E235 HydrophobicContact CE2-CB 4.06Å; F231-E235 HydrophobicContact CD2-CG 3.87Å; F231-E235 HydrophobicContact CE1-CG 4.38Å; F231-E235 HydrophobicContact CE2-CG 3.41Å; F231-E235 VanDerWaalsContact CE2-CG 3.41Å; F231-E235 HydrophobicContact CZ-CG 3.7Å; F231-E235 WeakPolarHBondContact O-CG 3.14Å; F231-E235 PolarHBondContact O-N 3.13Å; E235-A239 WeakPolarHBondContact O-CB 3.46Å; E235-A239 PolarHBondContact O-N 3.45Å; E235-R268 VanDerWaalsContact CD-NH2 3.34Å; E235-R268 IonicContact OE1-CZ 3.99Å; E235-R268 IonicContact OE1-NE 3.78Å; E235-R268 PolarHBondContact OE1-NE 3.2Å; E235-R268 IonicContact OE1-NH2 2.74Å; E235-R268 PolarHBondContact OE1-NH2 3.48Å; E235-R268 IonicContact OE2-CZ 2.92Å; E235-R268 IonicContact OE2-NE 2.76Å; E235-R268 IonicContact OE2-NH2 3.41Å; E235-R268 PolarHBondContact OE2-NH2 2.65Å
236T98.8Very high98.1Very high2 Ų216.9 Ų16.91%0.0129%0.088CC..Hα-helixtrans-65.7-57.3-178.9-53.90000111.3Y190 L193 Y195 I207 S232 L233 Q234 F238 A239 M240Y190-T236 PolarHBondContact OH-OG1 3.25Å; L193-T236 HydrophobicContact CB-CG2 4Å; Y195-T236 HydrophobicContact CD2-CG2 4.39Å; I207-T236 HydrophobicContact CD1-CG2 4.43Å; S232-T236 WeakPolarHBondContact O-CB 3.13Å; S232-T236 PolarHBondContact O-N 2.94Å; S232-T236 PolarHBondContact O-OG1 3.02Å; L233-T236 PolarHBondContact O-N 3.48Å; Q234-T236 VanDerWaalsContact C-N 3.27Å; Q234-T236 PolarHBondContact O-N 3.23Å; T236-F238 PolarHBondContact O-N 2.86Å; T236-A239 PolarHBondContact O-N 2.84Å; T236-M240 HydrophobicContact CG2-SD 4.29Å; T236-M240 VanDerWaalsContact O-CG 3.3Å; T236-M240 WeakPolarHBondContact O-CG 3.42Å; T236-M240 PolarHBondContact O-N 2.91Å; T236-M240 VanDerWaalsContact O-N 3.15Å
237V98.8Very high98.4Very high0 Ų020.9 Ų20.90%010%0.099CC..Hα-helixtrans-71.2-33.5-172.4-56.40000111.8V157 F204 I207 L233 Q234 M240 L241V157-V237 HydrophobicContact CG2-CB 3.96Å; V157-V237 HydrophobicContact CG2-CG2 3.77Å; F204-V237 HydrophobicContact CD1-CB 4.24Å; F204-V237 HydrophobicContact CD1-CG1 3.95Å; F204-V237 HydrophobicContact CE1-CB 3.96Å; F204-V237 HydrophobicContact CE1-CG1 4.18Å; I207-V237 HydrophobicContact CD1-CG1 4.23Å; I207-V237 HydrophobicContact CG2-CG1 4.45Å; L233-V237 HydrophobicContact CD1-CG1 3.85Å; L233-V237 HydrophobicContact CG-CG1 4.5Å; L233-V237 WeakPolarHBondContact O-CG1 3.42Å; L233-V237 VanDerWaalsContact O-CG2 3.25Å; L233-V237 WeakPolarHBondContact O-CG2 3.28Å; L233-V237 PolarHBondContact O-N 3.49Å; Q234-V237 PolarHBondContact O-N 3.35Å; V237-M240 WeakPolarHBondContact O-CB 3.45Å; V237-M240 PolarHBondContact O-N 3.36Å; V237-L241 VanDerWaalsContact O-CG 3.32Å; V237-L241 WeakPolarHBondContact O-CG 3.42Å; V237-L241 PolarHBondContact O-N 3.32Å; V237-L241 VanDerWaalsContact O-N 3.12Å
238F98.9Very high98.4Very high0 Ų018.2 Ų18.20%09%0.087CC..Hα-helixtrans-73.3-37.5177.4-61.4-20.1000111.8L161 Q234 T236 M240 L241 V242 V263 N266 R268 L269 M272L161-F238 HydrophobicContact CD1-CE1 4.37Å; Q234-F238 HydrophobicContact CB-CD2 3.87Å; Q234-F238 HydrophobicContact CB-CE2 3.6Å; Q234-F238 HydrophobicContact CB-CZ 4.27Å; Q234-F238 HydrophobicContact CG-CD2 4.34Å; Q234-F238 HydrophobicContact CG-CE2 3.57Å; Q234-F238 HydrophobicContact CG-CZ 3.86Å; Q234-F238 WeakPolarHBondContact O-CB 3.24Å; Q234-F238 VanDerWaalsContact O-CD2 3.28Å; Q234-F238 WeakPolarHBondContact O-CD2 3.49Å; Q234-F238 WeakPolarHBondContact O-CG 3.14Å; Q234-F238 PolarHBondContact O-N 3.18Å; T236-F238 PolarHBondContact O-N 2.86Å; F238-M240 VanDerWaalsContact C-N 3.27Å; F238-M240 PolarHBondContact O-N 3.06Å; F238-L241 HydrophobicContact CD1-CD1 4.09Å; F238-L241 PolarHBondContact O-N 3.48Å; F238-L241 VanDerWaalsContact O-N 3.15Å; F238-V242 WeakPolarHBondContact O-CG2 3.4Å; F238-V242 PolarHBondContact O-N 3.36Å; F238-V263 HydrophobicContact CE1-CG1 4.02Å; F238-N266 VanDerWaalsContact CE2-OD1 3.22Å; F238-N266 WeakPolarHBondContact CE2-OD1 3.46Å; F238-N266 HydrophobicContact CZ-CB 4.22Å; F238-R268 HydrophobicContact CD2-CB 4.47Å; F238-R268 HydrophobicContact CD2-CG 4.25Å; F238-R268 HydrophobicContact CE2-CB 4.3Å; F238-R268 HydrophobicContact CE2-CG 4.48Å; F238-L269 HydrophobicContact CB-CD1 3.9Å; F238-L269 HydrophobicContact CD1-CB 4.14Å; F238-L269 HydrophobicContact CD1-CD1 3.99Å; F238-L269 HydrophobicContact CD1-CD2 4.48Å; F238-L269 HydrophobicContact CD1-CG 4.42Å; F238-L269 HydrophobicContact CD2-CB 3.94Å; F238-L269 HydrophobicContact CE1-CB 4.25Å; F238-L269 HydrophobicContact CE2-CB 4.05Å; F238-L269 HydrophobicContact CG-CB 3.99Å; F238-L269 HydrophobicContact CG-CD1 3.96Å; F238-L269 HydrophobicContact CZ-CB 4.21Å; F238-M272 HydrophobicContact CB-CE 4.02Å; F238-M272 HydrophobicContact CB-SD 3.58Å; F238-M272 VanDerWaalsContact CB-SD 3.58Å; F238-M272 HydrophobicContact CD2-SD 4.22Å; F238-M272 HydrophobicContact CG-SD 4.44Å
239A98.9Very high98.5Very high30 Ų3017.8 Ų17.825%0.2489%0.085CC..Hα-helixtrans-59.4-40.117200000111.5Y195 E235 T236 L241 V242 E243 M272Y195-A239 HydrophobicContact CE2-CB 3.91Å; Y195-A239 VanDerWaalsContact OH-C 3.28Å; Y195-A239 PolarHBondContact OH-O 2.79Å; Y195-A239 VanDerWaalsContact OH-O 3.12Å; E235-A239 WeakPolarHBondContact O-CB 3.46Å; E235-A239 PolarHBondContact O-N 3.45Å; T236-A239 PolarHBondContact O-N 2.84Å; A239-L241 PolarHBondContact O-N 3.36Å; A239-V242 PolarHBondContact O-N 2.89Å; A239-E243 WeakPolarHBondContact O-CB 3.49Å; A239-E243 PolarHBondContact O-N 3.22Å; A239-M272 HydrophobicContact CB-CE 3.88Å
240M98.9Very high98.6Very high0 Ų020.8 Ų20.80%011%0.109CC..Hα-helixtrans-61.4-43174.3-65.3167.255.300112.4Y195 V197 V202 F204 I207 T236 V237 F238 E243 I244Y195-M240 HydrophobicContact CD1-CG 4.18Å; Y195-M240 HydrophobicContact CD2-CG 3.79Å; Y195-M240 HydrophobicContact CE1-CG 3.92Å; Y195-M240 HydrophobicContact CE2-CB 4.46Å; Y195-M240 HydrophobicContact CE2-CG 3.51Å; Y195-M240 HydrophobicContact CG-CG 4.12Å; Y195-M240 WeakPolarHBondContact OH-CA 3.2Å; Y195-M240 PolarHBondContact OH-N 2.94Å; V197-M240 HydrophobicContact CG2-CB 3.81Å; V197-M240 HydrophobicContact CG2-CE 4.48Å; V197-M240 HydrophobicContact CG2-CG 3.88Å; V202-M240 HydrophobicContact CB-CE 4.2Å; V202-M240 HydrophobicContact CG1-CB 4.24Å; V202-M240 HydrophobicContact CG1-CE 4Å; F204-M240 HydrophobicContact CD1-CE 4.21Å; F204-M240 HydrophobicContact CE1-CE 3.92Å; I207-M240 HydrophobicContact CD1-CE 3.89Å; I207-M240 HydrophobicContact CD1-SD 3.45Å; I207-M240 WeakPolarHBondContact CD1-SD 3.4Å; T236-M240 HydrophobicContact CG2-SD 4.29Å; T236-M240 VanDerWaalsContact O-CG 3.3Å; T236-M240 WeakPolarHBondContact O-CG 3.42Å; T236-M240 PolarHBondContact O-N 2.91Å; T236-M240 VanDerWaalsContact O-N 3.15Å; V237-M240 WeakPolarHBondContact O-CB 3.45Å; V237-M240 PolarHBondContact O-N 3.36Å; F238-M240 VanDerWaalsContact C-N 3.27Å; F238-M240 PolarHBondContact O-N 3.06Å; M240-E243 PolarHBondContact O-N 3.39Å; M240-I244 WeakPolarHBondContact O-CG1 3.47Å; M240-I244 PolarHBondContact O-N 2.79Å; M240-I244 VanDerWaalsContact O-N 3.13Å
241L98.9Very high98.6Very high0 Ų027.1 Ų27.10%014%0.139CC..Hα-helixtrans-65.2-40.7177.3-66.1174.3000112.2L129 V131 T136 V157 F204 V237 F238 A239 I244 T245 L269L129-L241 HydrophobicContact CD1-CD2 4.28Å; L129-L241 HydrophobicContact CD2-CB 4.07Å; V131-L241 HydrophobicContact CG1-CD1 3.96Å; V131-L241 HydrophobicContact CG1-CD2 3.99Å; T136-L241 HydrophobicContact CG2-CD2 3.6Å; V157-L241 HydrophobicContact CB-CD1 4.5Å; V157-L241 HydrophobicContact CG1-CD1 4.15Å; V157-L241 HydrophobicContact CG2-CD1 4.19Å; F204-L241 HydrophobicContact CZ-CD2 3.97Å; V237-L241 VanDerWaalsContact O-CG 3.32Å; V237-L241 WeakPolarHBondContact O-CG 3.42Å; V237-L241 PolarHBondContact O-N 3.32Å; V237-L241 VanDerWaalsContact O-N 3.12Å; F238-L241 HydrophobicContact CD1-CD1 4.09Å; F238-L241 PolarHBondContact O-N 3.48Å; F238-L241 VanDerWaalsContact O-N 3.15Å; A239-L241 PolarHBondContact O-N 3.36Å; L241-I244 HydrophobicContact CD2-CD1 4.36Å; L241-I244 WeakPolarHBondContact O-CG1 2.97Å; L241-T245 VanDerWaalsContact O-CB 3.31Å; L241-T245 WeakPolarHBondContact O-CB 3.4Å; L241-T245 PolarHBondContact O-N 3.2Å; L241-T245 PolarHBondContact O-OG1 2.93Å; L241-L269 HydrophobicContact CB-CD1 4.42Å; L241-L269 HydrophobicContact CD1-CD1 4.15Å; L241-L269 HydrophobicContact CD1-CD2 4.35Å
242V98.9Very high98.5Very high18 Ų1827.2 Ų27.211%0.10915%0.145CC..Hα-helixtrans-61.5-46.2175.4171.90000110.1F238 A239 T245 E246 M272 M273 M276F238-V242 WeakPolarHBondContact O-CG2 3.4Å; F238-V242 PolarHBondContact O-N 3.36Å; A239-V242 PolarHBondContact O-N 2.89Å; V242-T245 PolarHBondContact O-N 2.74Å; V242-E246 WeakPolarHBondContact O-CB 3.43Å; V242-E246 PolarHBondContact O-N 2.84Å; V242-M272 HydrophobicContact CG2-CB 4.04Å; V242-M273 HydrophobicContact CB-CE 4.46Å; V242-M273 HydrophobicContact CG2-CB 4.38Å; V242-M273 HydrophobicContact CG2-CE 3.91Å; V242-M273 HydrophobicContact CG2-SD 4.14Å; V242-M276 HydrophobicContact CG1-CB 3.59Å; V242-M276 HydrophobicContact CG1-CE 4.46Å; V242-M276 HydrophobicContact CG1-CG 3.79Å
243E98.9Very high98.4Very high50 Ų5029.9 Ų29.923%0.23417%0.172CC..Hα-helixtrans-59-50.9179.5-176.4-179.8129.700112.4Y195 V197 A239 M240 T245 E246 R247Y195-E243 WeakPolarHBondContact CE1-OE2 3.39Å; Y195-E243 PolarHBondContact OH-OE2 2.8Å; V197-E243 VanDerWaalsContact CG1-OE1 3.3Å; V197-E243 WeakPolarHBondContact CG1-OE1 3.18Å; A239-E243 WeakPolarHBondContact O-CB 3.49Å; A239-E243 PolarHBondContact O-N 3.22Å; M240-E243 PolarHBondContact O-N 3.39Å; E243-T245 VanDerWaalsContact C-N 3.29Å; E243-T245 PolarHBondContact O-N 3.29Å; E243-E246 PolarHBondContact O-N 3.28Å; E243-R247 VanDerWaalsContact O-CG 3.3Å; E243-R247 WeakPolarHBondContact O-CG 3.47Å; E243-R247 PolarHBondContact O-N 2.88Å; E243-R247 IonicContact OE1-CZ 3.03Å; E243-R247 IonicContact OE1-NE 3.32Å; E243-R247 PolarHBondContact OE1-NE 3.01Å; E243-R247 IonicContact OE1-NH1 3.83Å; E243-R247 IonicContact OE1-NH2 2.59Å; E243-R247 PolarHBondContact OE1-NH2 3.46Å
244I98.9Very high98.3Very high0 Ų030.5 Ų30.50%018%0.177CC..Hα-helixtrans-67.3-31.5179.962.2168.8000112.6V138 V197 M200 V202 M240 L241 A248V138-I244 HydrophobicContact CG2-CB 4.39Å; V138-I244 HydrophobicContact CG2-CD1 3.59Å; V138-I244 HydrophobicContact CG2-CG1 3.77Å; V197-I244 HydrophobicContact CG1-CG2 3.63Å; V197-I244 HydrophobicContact CG2-CG2 4.35Å; M200-I244 WeakPolarHBondContact O-CB 3.39Å; M200-I244 WeakPolarHBondContact O-CG2 3.21Å; V202-I244 HydrophobicContact CG1-CD1 3.79Å; V202-I244 HydrophobicContact CG1-CG1 4.39Å; V202-I244 HydrophobicContact CG1-CG2 3.8Å; V202-I244 HydrophobicContact CG2-CD1 3.97Å; M240-I244 WeakPolarHBondContact O-CG1 3.47Å; M240-I244 PolarHBondContact O-N 2.79Å; M240-I244 VanDerWaalsContact O-N 3.13Å; L241-I244 HydrophobicContact CD2-CD1 4.36Å; L241-I244 WeakPolarHBondContact O-CG1 2.97Å; I244-A248 PolarHBondContact O-N 3.46Å; I244-A248 VanDerWaalsContact O-N 3.1Å
245T98.9Very high98.2Very high0 Ų035.4 Ų35.40%020%0.2CC..Hα-helixtrans-67.9-46.1176.2-57.30000109.9T127 L241 V242 E243 R247 A248 M249 V257 M273 M276T127-T245 HydrophobicContact CG2-CG2 4.26Å; L241-T245 VanDerWaalsContact O-CB 3.31Å; L241-T245 WeakPolarHBondContact O-CB 3.4Å; L241-T245 PolarHBondContact O-N 3.2Å; L241-T245 PolarHBondContact O-OG1 2.93Å; V242-T245 PolarHBondContact O-N 2.74Å; E243-T245 VanDerWaalsContact C-N 3.29Å; E243-T245 PolarHBondContact O-N 3.29Å; T245-R247 VanDerWaalsContact C-N 3.34Å; T245-R247 PolarHBondContact O-N 2.81Å; T245-A248 PolarHBondContact O-N 2.82Å; T245-M249 HydrophobicContact CG2-CG 4.47Å; T245-M249 VanDerWaalsContact O-CG 3.29Å; T245-M249 WeakPolarHBondContact O-CG 3.14Å; T245-M249 PolarHBondContact O-N 3.13Å; T245-V257 HydrophobicContact CG2-CG1 3.98Å; T245-V257 HydrophobicContact CG2-CG2 4.05Å; T245-M273 HydrophobicContact CG2-CE 3.94Å; T245-M273 HydrophobicContact CG2-SD 3.85Å; T245-M276 HydrophobicContact CG2-CE 4.47Å
246E98.8Very high98.2Very high80 Ų8035.6 Ų35.637%0.37420%0.201SC..Hα-helixtrans-61.5-41.4177.3-174.8176-156.700112.2V242 E243 M249 A250 M276 R280V242-E246 WeakPolarHBondContact O-CB 3.43Å; V242-E246 PolarHBondContact O-N 2.84Å; E243-E246 PolarHBondContact O-N 3.28Å; E246-M249 PolarHBondContact O-N 2.88Å; E246-A250 WeakPolarHBondContact O-CB 3.48Å; E246-A250 PolarHBondContact O-N 2.85Å; E246-M276 HydrophobicContact CB-CE 4.15Å; E246-M276 HydrophobicContact CB-CG 4.03Å; E246-M276 HydrophobicContact CB-SD 3.81Å; E246-M276 HydrophobicContact CG-CG 4.11Å; E246-M276 HydrophobicContact CG-SD 3.82Å; E246-R280 PolarHBondContact O-NH2 2.87Å
247R98.8Very high98.2Very high104 Ų10435.5 Ų35.539%0.39220%0.2SC..Hα-helixtrans-57.9-48.7174.5-72.8173.8-176.3-151.7-3.1111.3G199 M200 E243 T245 A250 H251G199-R247 VanDerWaalsContact O-CD 3.24Å; G199-R247 WeakPolarHBondContact O-CD 3.25Å; G199-R247 PolarHBondContact O-NH1 3.1Å; M200-R247 HydrophobicContact CG-CB 4.09Å; E243-R247 VanDerWaalsContact O-CG 3.3Å; E243-R247 WeakPolarHBondContact O-CG 3.47Å; E243-R247 PolarHBondContact O-N 2.88Å; E243-R247 IonicContact OE1-CZ 3.03Å; E243-R247 IonicContact OE1-NE 3.32Å; E243-R247 PolarHBondContact OE1-NE 3.01Å; E243-R247 IonicContact OE1-NH1 3.83Å; E243-R247 IonicContact OE1-NH2 2.59Å; E243-R247 PolarHBondContact OE1-NH2 3.46Å; T245-R247 VanDerWaalsContact C-N 3.34Å; T245-R247 PolarHBondContact O-N 2.81Å; R247-A250 PolarHBondContact O-N 2.83Å; R247-H251 PolarHBondContact O-N 3.32Å
248A98.6Very high98.2Very high1 Ų135.5 Ų35.51%0.00820%0.2CC..Hα-helixtrans-65.6-40.1178.300000112.4T127 V138 F149 M200 I244 T245 A250 H251 C252T127-A248 HydrophobicContact CG2-CB 4.04Å; V138-A248 HydrophobicContact CB-CB 4.48Å; V138-A248 HydrophobicContact CG1-CB 3.37Å; F149-A248 HydrophobicContact CB-CB 4.26Å; M200-A248 HydrophobicContact SD-CB 4.23Å; I244-A248 PolarHBondContact O-N 3.46Å; I244-A248 VanDerWaalsContact O-N 3.1Å; T245-A248 PolarHBondContact O-N 2.82Å; A248-A250 VanDerWaalsContact C-N 3.31Å; A248-A250 PolarHBondContact O-N 3.32Å; A248-H251 PolarHBondContact O-N 3.33Å; A248-C252 WeakPolarHBondContact O-CB 3.47Å; A248-C252 PolarHBondContact O-N 2.79Å; A248-C252 PolarHBondContact O-SG 3.4Å
249M98.4Very high98.2Very high0 Ų035.5 Ų35.50%020%0.2CC..Hα-helixtrans-60.9-41.5174.3-68.6176.58000111.4T127 T245 E246 H251 C252 G253 S254 V257 M276 R280 A282T127-M249 HydrophobicContact CG2-CG 3.99Å; T245-M249 HydrophobicContact CG2-CG 4.47Å; T245-M249 VanDerWaalsContact O-CG 3.29Å; T245-M249 WeakPolarHBondContact O-CG 3.14Å; T245-M249 PolarHBondContact O-N 3.13Å; E246-M249 PolarHBondContact O-N 2.88Å; M249-H251 VanDerWaalsContact C-N 3.34Å; M249-C252 PolarHBondContact O-N 3.22Å; M249-G253 WeakPolarHBondContact O-CA 3.42Å; M249-G253 PolarHBondContact O-N 3.19Å; M249-S254 PolarHBondContact O-N 3.26Å; M249-V257 HydrophobicContact CE-CG2 3.54Å; M249-V257 HydrophobicContact CG-CG2 3.95Å; M249-V257 HydrophobicContact SD-CG2 3.13Å; M249-V257 WeakPolarHBondContact SD-CG2 3.37Å; M249-M276 HydrophobicContact SD-CE 3.73Å; M249-M276 HydrophobicContact SD-SD 4.04Å; M249-R280 PolarHBondContact O-NH1 2.91Å; M249-A282 HydrophobicContact CE-CB 3.59Å
250A98.3Very high98.2Very high63 Ų6334.1 Ų34.152%0.52119%0.189SC..Hα-helixtrans-63.3-44.3178.100000110.6E246 R247 A248 C252 G253E246-A250 WeakPolarHBondContact O-CB 3.48Å; E246-A250 PolarHBondContact O-N 2.85Å; R247-A250 PolarHBondContact O-N 2.83Å; A248-A250 VanDerWaalsContact C-N 3.31Å; A248-A250 PolarHBondContact O-N 3.32Å; A250-C252 VanDerWaalsContact C-N 3.32Å; A250-C252 PolarHBondContact O-N 2.98Å; A250-G253 PolarHBondContact O-N 3.35Å
251H98Very high98Very high134 Ų13434.1 Ų34.162%0.6219%0.189SC*.Hα-helixtrans-62.2-38.8178.7-175.478.3000112.7F149 R247 A248 M249F149-H251 AromaticContact CD1-CD2 3.81Å; F149-H251 AromaticContact CE1-CD2 3.49Å; F149-H251 VanDerWaalsContact CE1-CD2 3.49Å; F149-H251 WeakPolarHBondContact CE1-CD2 3.18Å; F149-H251 AromaticContact CE1-NE2 3.89Å; R247-H251 PolarHBondContact O-N 3.32Å; A248-H251 PolarHBondContact O-N 3.33Å; M249-H251 VanDerWaalsContact C-N 3.34Å
252C95.4Very high97.8Very high54 Ų5435.3 Ų35.337%0.36520%0.201SC..Hα-helixtrans-90.8-7.8-178-57.60000114.2A248 M249 A250 S254A248-C252 WeakPolarHBondContact O-CB 3.47Å; A248-C252 PolarHBondContact O-N 2.79Å; A248-C252 PolarHBondContact O-SG 3.4Å; M249-C252 PolarHBondContact O-N 3.22Å; A250-C252 VanDerWaalsContact C-N 3.32Å; A250-C252 PolarHBondContact O-N 2.98Å; C252-S254 PolarHBondContact O-N 2.96Å
253G95.8Very high97.7Very high55 Ų5535.2 Ų35.257%0.56720%0.2SC*.THydrogen-bonded Turntrans64.726.3-170.300000113.9M249 A250M249-G253 WeakPolarHBondContact O-CA 3.42Å; M249-G253 PolarHBondContact O-N 3.19Å; A250-G253 PolarHBondContact O-N 3.35Å
254S96.2Very high97.5Very high13 Ų1332.8 Ų32.89%0.09119%0.189CC..  trans-73.4142.8-175.8-176.40000112.7T127 M249 C252 E256T127-S254 PolarHBondContact N-OG 3.3Å; T127-S254 WeakPolarHBondContact OG1-CB 3.47Å; T127-S254 PolarHBondContact OG1-OG 3.48Å; M249-S254 PolarHBondContact O-N 3.26Å; C252-S254 PolarHBondContact O-N 2.96Å; S254-E256 PolarHBondContact OG-N 3.4Å; S254-E256 PolarHBondContact OG-O 3.12Å
255Q97.7Very high97.3Very high107 Ų10734.4 Ų34.450%0.520%0.2SC..  trans-113.17175.3-64.3-60.8-3700112.8A282 K283Q255-A282 CarbonylContact O-C 3.54Å; Q255-A282 VanDerWaalsContact O-CA 3.31Å; Q255-A282 WeakPolarHBondContact O-CA 3.34Å; Q255-A282 WeakPolarHBondContact O-CB 3.43Å; Q255-K283 PolarHBondContact O-N 3.43Å
256E98.5Very high97.2Very high37 Ų3734.8 Ų34.817%0.17320%0.202CC..EExtended strand (participates in β ladder)trans-135.2136.1-179.2-60.4-175.1147.800109.6N124 N125 P126 T127 S254 K283 F285N124-E256 PolarHBondContact N-OE2 2.81Å; N125-E256 PolarHBondContact N-OE2 2.91Å; P126-E256 CarbonylContact C-O 3.6Å; P126-E256 VanDerWaalsContact CA-O 3.31Å; P126-E256 WeakPolarHBondContact CA-O 3.36Å; P126-E256 HydrophobicContact CB-CB 3.87Å; T127-E256 PolarHBondContact N-O 2.81Å; S254-E256 PolarHBondContact OG-N 3.4Å; S254-E256 PolarHBondContact OG-O 3.12Å; E256-K283 CarbonylContact C-O 3.59Å; E256-K283 WeakPolarHBondContact CA-O 3.32Å; E256-F285 HydrophobicContact CB-CD2 4.31Å; E256-F285 HydrophobicContact CB-CE2 3.97Å; E256-F285 HydrophobicContact CG-CE2 3.83Å
257V98.7Very high97.1Very high0 Ų035.9 Ų35.90%021%0.21CC..EExtended strand (participates in β ladder)trans-113.7136.1166.2177.10000108.7T127 T245 M249 I259 M273 M276 C277 K283 L284 F285T127-V257 CarbonylContact O-C 3.56Å; T127-V257 VanDerWaalsContact O-CA 3.27Å; T127-V257 WeakPolarHBondContact O-CA 3.35Å; T245-V257 HydrophobicContact CG2-CG1 3.98Å; T245-V257 HydrophobicContact CG2-CG2 4.05Å; M249-V257 HydrophobicContact CE-CG2 3.54Å; M249-V257 HydrophobicContact CG-CG2 3.95Å; M249-V257 HydrophobicContact SD-CG2 3.13Å; M249-V257 WeakPolarHBondContact SD-CG2 3.37Å; V257-I259 HydrophobicContact CG1-CG1 4.24Å; V257-M273 HydrophobicContact CG1-CG 3.96Å; V257-M273 HydrophobicContact CG1-SD 4.17Å; V257-M276 HydrophobicContact CG2-CE 4.36Å; V257-C277 VanDerWaalsContact CG2-SG 3.55Å; V257-K283 PolarHBondContact N-O 2.91Å; V257-L284 HydrophobicContact CB-CD1 4.02Å; V257-L284 HydrophobicContact CG1-CD1 3.87Å; V257-F285 WeakPolarHBondContact O-CB 3.49Å; V257-F285 PolarHBondContact O-N 3.22Å
258L98.8Very high97.1Very high0 Ų034.5 Ų34.50%020%0.204CC..EExtended strand (participates in β ladder)trans-120.2120169.917262.4000108.9R118 T121 A123 P126 T127 V128 L129 V260 F285R118-L258 HydrophobicContact CG-CD2 4.14Å; T121-L258 HydrophobicContact CG2-CD1 4.17Å; A123-L258 HydrophobicContact CB-CD2 4.44Å; P126-L258 HydrophobicContact CB-CB 3.61Å; P126-L258 HydrophobicContact CG-CB 3.58Å; P126-L258 HydrophobicContact CG-CD2 4.03Å; P126-L258 HydrophobicContact CG-CG 4.46Å; T127-L258 PolarHBondContact O-N 2.85Å; V128-L258 CarbonylContact C-O 3.58Å; V128-L258 VanDerWaalsContact CA-O 3.26Å; V128-L258 WeakPolarHBondContact CA-O 3.3Å; V128-L258 WeakPolarHBondContact CG1-O 3.23Å; V128-L258 HydrophobicContact CG2-CB 4.32Å; V128-L258 HydrophobicContact CG2-CD2 4.34Å; L129-L258 PolarHBondContact N-O 2.59Å; L258-V260 HydrophobicContact CD1-CG1 4.12Å; L258-V260 HydrophobicContact CD2-CG1 4.12Å; L258-V260 HydrophobicContact CG-CG1 3.86Å; L258-F285 WeakPolarHBondContact CA-O 3.32Å; L258-F285 HydrophobicContact CB-CB 4.47Å; L258-F285 HydrophobicContact CD1-CB 3.85Å
259I98.5Very high97.1Very high0 Ų034.5 Ų34.50%020%0.204CC..EExtended strand (participates in β ladder)trans-94.8127172.9-51.9173.8000108.9L129 V131 V257 G264 L269 Q270 M273 L284 F285L129-I259 WeakPolarHBondContact O-CA 3.08Å; V131-I259 HydrophobicContact CG2-CG2 4.16Å; V257-I259 HydrophobicContact CG1-CG1 4.24Å; I259-G264 VanDerWaalsContact CG2-CA 3.49Å; I259-L269 HydrophobicContact CD1-CG 4.45Å; I259-L269 HydrophobicContact CG2-CD2 4.42Å; I259-Q270 HydrophobicContact CD1-CG 4.36Å; I259-M273 HydrophobicContact CD1-CB 3.88Å; I259-M273 HydrophobicContact CD1-CG 3.96Å; I259-M273 HydrophobicContact CG1-CG 4.44Å; I259-L284 HydrophobicContact CD1-CD1 3.74Å; I259-L284 HydrophobicContact CD1-CD2 4.5Å; I259-L284 HydrophobicContact CG1-CD1 3.82Å; I259-F285 PolarHBondContact N-O 3.41Å
260V98.1Very high97.1Very high1 Ų136.5 Ų36.51%0.00621%0.214CC..EExtended strand (participates in β ladder)trans-132.9166.7176.5-65.20000111.4H113 V128 L129 Y130 V131 L258H113-V260 HydrophobicContact CB-CB 4.1Å; H113-V260 HydrophobicContact CB-CG2 4.08Å; H113-V260 WeakPolarHBondContact O-CG1 2.95Å; V128-V260 HydrophobicContact CG1-CG2 3.56Å; L129-V260 PolarHBondContact O-N 3.12Å; Y130-V260 HydrophobicContact CD2-CG2 3.82Å; Y130-V260 HydrophobicContact CG-CG2 4.18Å; V131-V260 PolarHBondContact N-O 3.06Å; L258-V260 HydrophobicContact CD1-CG1 4.12Å; L258-V260 HydrophobicContact CD2-CG1 4.12Å; L258-V260 HydrophobicContact CG-CG1 3.86Å
261G96.1Very high97.1Very high0 Ų038.6 Ų38.60%021%0.213CC..SBendtrans87.4166.3-175.400000113.4V131 V263 G264 C292V131-G261 CarbonylContact O-C 3.55Å; V131-G261 WeakPolarHBondContact O-CA 3.28Å; G261-V263 VanDerWaalsContact C-N 3.3Å; G261-V263 PolarHBondContact O-N 2.78Å; G261-G264 VanDerWaalsContact O-CA 3.31Å; G261-G264 WeakPolarHBondContact O-CA 3.45Å; G261-G264 PolarHBondContact O-N 2.6Å; G261-C292 CarbonylContact C-O 3.48Å; G261-C292 WeakPolarHBondContact CA-O 3.33Å
262G93.9Very high97.2Very high25 Ų2533.6 Ų33.626%0.25819%0.19SC..G310 helixtrans-65.7-26.8-167.500000115.5V131 G264 C265 C292V131-G262 PolarHBondContact O-N 2.92Å; G262-G264 PolarHBondContact O-N 3.05Å; G262-C265 WeakPolarHBondContact O-CB 3.26Å; G262-C265 PolarHBondContact O-N 3.03Å; G262-C292 PolarHBondContact N-O 3.02Å
263V97.1Very high97.3Very high15 Ų1531 Ų319%0.09117%0.172CC..G310 helixtrans-74.3-20.8173.2-177.80000110.6V131 V157 L161 F238 G261 C265 N266 L269V131-V263 HydrophobicContact CB-CB 3.95Å; V131-V263 HydrophobicContact CB-CG1 4.44Å; V131-V263 HydrophobicContact CG2-CB 3.84Å; V131-V263 HydrophobicContact CG2-CG1 4.23Å; V131-V263 WeakPolarHBondContact O-CB 3.34Å; V131-V263 PolarHBondContact O-N 2.94Å; V157-V263 HydrophobicContact CG1-CB 4.47Å; V157-V263 HydrophobicContact CG1-CG1 4.25Å; V157-V263 HydrophobicContact CG1-CG2 4.22Å; L161-V263 HydrophobicContact CD1-CG1 4.14Å; L161-V263 HydrophobicContact CD1-CG2 4.44Å; F238-V263 HydrophobicContact CE1-CG1 4.02Å; G261-V263 VanDerWaalsContact C-N 3.3Å; G261-V263 PolarHBondContact O-N 2.78Å; V263-C265 PolarHBondContact O-N 3.28Å; V263-N266 WeakPolarHBondContact O-CB 3.46Å; V263-N266 PolarHBondContact O-N 3.33Å; V263-L269 HydrophobicContact CG1-CD2 4.18Å
264G95Very high97.5Very high0 Ų029.5 Ų29.50%016%0.157CC..G310 helixtrans-62.6-16.5172.300000114.6I259 G261 G262 N266 Q270I259-G264 VanDerWaalsContact CG2-CA 3.49Å; G261-G264 VanDerWaalsContact O-CA 3.31Å; G261-G264 WeakPolarHBondContact O-CA 3.45Å; G261-G264 PolarHBondContact O-N 2.6Å; G262-G264 PolarHBondContact O-N 3.05Å; G264-N266 PolarHBondContact O-N 3.05Å; G264-Q270 PolarHBondContact O-NE2 3.31Å
265C93.8Very high97.6Very high34 Ų3432.3 Ų32.323%0.2317%0.174CC..G310 helixtrans-65.9-21.2169.1-75.50000113.8G262 V263 L267 C292G262-C265 WeakPolarHBondContact O-CB 3.26Å; G262-C265 PolarHBondContact O-N 3.03Å; V263-C265 PolarHBondContact O-N 3.28Å; C265-L267 PolarHBondContact O-N 3.03Å; C265-C292 HydrophobicContact CB-CB 4.44Å; C265-C292 WeakPolarHBondContact SG-CB 3.5Å
266N97.4Very high97.7Very high7 Ų727.8 Ų27.84%0.03715%0.152CC..  trans-70.3119.2-171-177-71000110.4E181 Q234 F238 V263 G264 R268 L269 Q270E181-N266 WeakPolarHBondContact CG-ND2 3.35Å; Q234-N266 PolarHBondContact NE2-ND2 2.64Å; F238-N266 VanDerWaalsContact CE2-OD1 3.22Å; F238-N266 WeakPolarHBondContact CE2-OD1 3.46Å; F238-N266 HydrophobicContact CZ-CB 4.22Å; V263-N266 WeakPolarHBondContact O-CB 3.46Å; V263-N266 PolarHBondContact O-N 3.33Å; G264-N266 PolarHBondContact O-N 3.05Å; N266-R268 VanDerWaalsContact C-N 3.27Å; N266-R268 PolarHBondContact O-N 2.83Å; N266-R268 WeakPolarHBondContact OD1-CA 3.36Å; N266-R268 VanDerWaalsContact OD1-CB 3.3Å; N266-R268 WeakPolarHBondContact OD1-CB 3.15Å; N266-R268 PolarHBondContact OD1-N 2.93Å; N266-L269 HydrophobicContact CB-CB 4.19Å; N266-L269 PolarHBondContact O-N 3.47Å; N266-L269 PolarHBondContact OD1-N 3.36Å; N266-Q270 WeakPolarHBondContact O-CG 3.39Å; N266-Q270 PolarHBondContact O-N 3.38Å; N266-Q270 VanDerWaalsContact O-N 3.09Å
267L97.1Very high97.7Very high104 Ų10426 Ų2655%0.54514%0.144SC..Hα-helixtrans-69.7-28.4-174.2-64.4178.9000112.1E181 C265 Q270 E271E181-L267 WeakPolarHBondContact OE1-CB 3.47Å; E181-L267 PolarHBondContact OE1-N 3.09Å; C265-L267 PolarHBondContact O-N 3.03Å; L267-Q270 PolarHBondContact O-N 3.01Å; L267-E271 WeakPolarHBondContact O-CB 3.44Å; L267-E271 PolarHBondContact O-N 3.42Å
268R98.3Very high97.7Very high75 Ų7534.4 Ų34.428%0.28318%0.181SC..Hα-helixtrans-68.6-42.4175.9-177.356.6-179.4162.45.3111.6E235 F238 N266 E271 M272E235-R268 VanDerWaalsContact CD-NH2 3.34Å; E235-R268 IonicContact OE1-CZ 3.99Å; E235-R268 IonicContact OE1-NE 3.78Å; E235-R268 PolarHBondContact OE1-NE 3.2Å; E235-R268 IonicContact OE1-NH2 2.74Å; E235-R268 PolarHBondContact OE1-NH2 3.48Å; E235-R268 IonicContact OE2-CZ 2.92Å; E235-R268 IonicContact OE2-NE 2.76Å; E235-R268 IonicContact OE2-NH2 3.41Å; E235-R268 PolarHBondContact OE2-NH2 2.65Å; F238-R268 HydrophobicContact CD2-CB 4.47Å; F238-R268 HydrophobicContact CD2-CG 4.25Å; F238-R268 HydrophobicContact CE2-CB 4.3Å; F238-R268 HydrophobicContact CE2-CG 4.48Å; N266-R268 VanDerWaalsContact C-N 3.27Å; N266-R268 PolarHBondContact O-N 2.83Å; N266-R268 WeakPolarHBondContact OD1-CA 3.36Å; N266-R268 VanDerWaalsContact OD1-CB 3.3Å; N266-R268 WeakPolarHBondContact OD1-CB 3.15Å; N266-R268 PolarHBondContact OD1-N 2.93Å; R268-E271 WeakPolarHBondContact CD-OE2 3.33Å; R268-E271 IonicContact CZ-OE2 3.14Å; R268-E271 IonicContact NE-OE2 3.93Å; R268-E271 IonicContact NH1-OE1 2.66Å; R268-E271 PolarHBondContact NH1-OE1 2.96Å; R268-E271 IonicContact NH1-OE2 3.85Å; R268-E271 PolarHBondContact NH1-OE2 3Å; R268-E271 PolarHBondContact O-N 3.34Å; R268-M272 HydrophobicContact CG-SD 4.21Å; R268-M272 VanDerWaalsContact O-CG 3.29Å; R268-M272 WeakPolarHBondContact O-CG 3.41Å; R268-M272 PolarHBondContact O-N 3.25Å
269L98.6Very high97.6Very high0 Ų042.2 Ų42.20%022%0.217CC..Hα-helixtrans-60.7-45.4172.2174.661.5000111.3V131 F238 L241 I259 V263 N266 E271 M272 M273V131-L269 HydrophobicContact CG2-CD2 3.97Å; F238-L269 HydrophobicContact CB-CD1 3.9Å; F238-L269 HydrophobicContact CD1-CB 4.14Å; F238-L269 HydrophobicContact CD1-CD1 3.99Å; F238-L269 HydrophobicContact CD1-CD2 4.48Å; F238-L269 HydrophobicContact CD1-CG 4.42Å; F238-L269 HydrophobicContact CD2-CB 3.94Å; F238-L269 HydrophobicContact CE1-CB 4.25Å; F238-L269 HydrophobicContact CE2-CB 4.05Å; F238-L269 HydrophobicContact CG-CB 3.99Å; F238-L269 HydrophobicContact CG-CD1 3.96Å; F238-L269 HydrophobicContact CZ-CB 4.21Å; L241-L269 HydrophobicContact CB-CD1 4.42Å; L241-L269 HydrophobicContact CD1-CD1 4.15Å; L241-L269 HydrophobicContact CD1-CD2 4.35Å; I259-L269 HydrophobicContact CD1-CG 4.45Å; I259-L269 HydrophobicContact CG2-CD2 4.42Å; V263-L269 HydrophobicContact CG1-CD2 4.18Å; N266-L269 HydrophobicContact CB-CB 4.19Å; N266-L269 PolarHBondContact O-N 3.47Å; N266-L269 PolarHBondContact OD1-N 3.36Å; L269-E271 VanDerWaalsContact C-N 3.34Å; L269-E271 PolarHBondContact O-N 2.97Å; L269-M272 PolarHBondContact O-N 3.28Å; L269-M273 WeakPolarHBondContact O-CB 3.24Å; L269-M273 PolarHBondContact O-N 3.33Å
270Q98.4Very high97.6Very high43 Ų4345.4 Ų45.420%0.20123%0.229CC..Hα-helixtrans-61.3-42.2177-67.9-177.820.600111.7I259 G264 N266 L267 G274 L284 A286I259-Q270 HydrophobicContact CD1-CG 4.36Å; G264-Q270 PolarHBondContact O-NE2 3.31Å; N266-Q270 WeakPolarHBondContact O-CG 3.39Å; N266-Q270 PolarHBondContact O-N 3.38Å; N266-Q270 VanDerWaalsContact O-N 3.09Å; L267-Q270 PolarHBondContact O-N 3.01Å; Q270-G274 PolarHBondContact O-N 2.9Å; Q270-L284 WeakPolarHBondContact O-CD2 3.3Å; Q270-A286 HydrophobicContact CG-CB 3.99Å
271E98.6Very high97.6Very high107 Ų10748.2 Ų48.250%0.526%0.258SS..Hα-helixtrans-60.2-51.8176.1-176.7-170.7-174.500111.4L267 R268 L269 M273 G274 V275L267-E271 WeakPolarHBondContact O-CB 3.44Å; L267-E271 PolarHBondContact O-N 3.42Å; R268-E271 WeakPolarHBondContact CD-OE2 3.33Å; R268-E271 IonicContact CZ-OE2 3.14Å; R268-E271 IonicContact NE-OE2 3.93Å; R268-E271 IonicContact NH1-OE1 2.66Å; R268-E271 PolarHBondContact NH1-OE1 2.96Å; R268-E271 IonicContact NH1-OE2 3.85Å; R268-E271 PolarHBondContact NH1-OE2 3Å; R268-E271 PolarHBondContact O-N 3.34Å; L269-E271 VanDerWaalsContact C-N 3.34Å; L269-E271 PolarHBondContact O-N 2.97Å; E271-M273 PolarHBondContact O-N 2.76Å; E271-G274 WeakPolarHBondContact O-CA 3.31Å; E271-G274 PolarHBondContact O-N 3.34Å; E271-G274 VanDerWaalsContact O-N 3.08Å; E271-V275 WeakPolarHBondContact O-CG2 3.1Å; E271-V275 PolarHBondContact O-N 2.77Å
272M98.8Very high97.7Very high28 Ų2848.8 Ų48.814%0.13826%0.263CS..Hα-helixtrans-61-43.9-179.5-67.9173.77400111.9F238 A239 V242 R268 L269 G274 V275 M276F238-M272 HydrophobicContact CB-CE 4.02Å; F238-M272 HydrophobicContact CB-SD 3.58Å; F238-M272 VanDerWaalsContact CB-SD 3.58Å; F238-M272 HydrophobicContact CD2-SD 4.22Å; F238-M272 HydrophobicContact CG-SD 4.44Å; A239-M272 HydrophobicContact CB-CE 3.88Å; V242-M272 HydrophobicContact CG2-CB 4.04Å; R268-M272 HydrophobicContact CG-SD 4.21Å; R268-M272 VanDerWaalsContact O-CG 3.29Å; R268-M272 WeakPolarHBondContact O-CG 3.41Å; R268-M272 PolarHBondContact O-N 3.25Å; L269-M272 PolarHBondContact O-N 3.28Å; M272-G274 VanDerWaalsContact C-N 3.29Å; M272-G274 PolarHBondContact O-N 2.87Å; M272-V275 PolarHBondContact O-N 2.88Å; M272-M276 PolarHBondContact O-N 2.84Å
273M98.8Very high97.9Very high0 Ų054 Ų540%028%0.279CS..Hα-helixtrans-65.1-35.4175-16768.17100111.7L129 V242 T245 V257 I259 L269 E271 M276 C277 L284L129-M273 HydrophobicContact CD2-CE 3.47Å; L129-M273 VanDerWaalsContact CD2-CE 3.47Å; V242-M273 HydrophobicContact CB-CE 4.46Å; V242-M273 HydrophobicContact CG2-CB 4.38Å; V242-M273 HydrophobicContact CG2-CE 3.91Å; V242-M273 HydrophobicContact CG2-SD 4.14Å; T245-M273 HydrophobicContact CG2-CE 3.94Å; T245-M273 HydrophobicContact CG2-SD 3.85Å; V257-M273 HydrophobicContact CG1-CG 3.96Å; V257-M273 HydrophobicContact CG1-SD 4.17Å; I259-M273 HydrophobicContact CD1-CB 3.88Å; I259-M273 HydrophobicContact CD1-CG 3.96Å; I259-M273 HydrophobicContact CG1-CG 4.44Å; L269-M273 WeakPolarHBondContact O-CB 3.24Å; L269-M273 PolarHBondContact O-N 3.33Å; E271-M273 PolarHBondContact O-N 2.76Å; M273-M276 HydrophobicContact CG-CE 4.36Å; M273-M276 PolarHBondContact O-N 3.29Å; M273-M276 HydrophobicContact SD-CE 3.28Å; M273-M276 WeakPolarHBondContact SD-CE 3.46Å; M273-C277 WeakPolarHBondContact O-CB 3.35Å; M273-C277 PolarHBondContact O-N 2.92Å; M273-C277 PolarHBondContact O-SG 2.93Å; M273-L284 HydrophobicContact CB-CD1 4.21Å; M273-L284 HydrophobicContact CB-CD2 4.09Å; M273-L284 HydrophobicContact CG-CD1 3.67Å; M273-L284 HydrophobicContact CG-CD2 4.39Å
274G98.7Very high98Very high24 Ų2455.7 Ų55.725%0.24729%0.287CS..Hα-helixtrans-66-38.6178.700000112.4Q270 E271 M272 K278Q270-G274 PolarHBondContact O-N 2.9Å; E271-G274 WeakPolarHBondContact O-CA 3.31Å; E271-G274 PolarHBondContact O-N 3.34Å; E271-G274 VanDerWaalsContact O-N 3.08Å; M272-G274 VanDerWaalsContact C-N 3.29Å; M272-G274 PolarHBondContact O-N 2.87Å; G274-K278 VanDerWaalsContact O-CB 3.26Å; G274-K278 WeakPolarHBondContact O-CB 3.49Å; G274-K278 PolarHBondContact O-N 3.16Å
275V98.8Very high98.2Very high72 Ų7257.6 Ų57.644%0.43630%0.295SS..Hα-helixtrans-61.3-51.6172.2174.40000110.5E271 M272 C277 K278 E279E271-V275 WeakPolarHBondContact O-CG2 3.1Å; E271-V275 PolarHBondContact O-N 2.77Å; M272-V275 PolarHBondContact O-N 2.88Å; V275-C277 PolarHBondContact O-N 3.48Å; V275-K278 PolarHBondContact O-N 2.97Å; V275-K278 VanDerWaalsContact O-N 3.17Å; V275-E279 WeakPolarHBondContact O-CG 3.34Å; V275-E279 PolarHBondContact O-N 2.78Å
276M98.8Very high98.2Very high11 Ų1157.4 Ų57.45%0.05430%0.296CS..Hα-helixtrans-58.1-46.5177.9180-79.2-67.600111.9V242 T245 E246 M249 V257 M272 M273 K278 E279 R280V242-M276 HydrophobicContact CG1-CB 3.59Å; V242-M276 HydrophobicContact CG1-CE 4.46Å; V242-M276 HydrophobicContact CG1-CG 3.79Å; T245-M276 HydrophobicContact CG2-CE 4.47Å; E246-M276 HydrophobicContact CB-CE 4.15Å; E246-M276 HydrophobicContact CB-CG 4.03Å; E246-M276 HydrophobicContact CB-SD 3.81Å; E246-M276 HydrophobicContact CG-CG 4.11Å; E246-M276 HydrophobicContact CG-SD 3.82Å; M249-M276 HydrophobicContact SD-CE 3.73Å; M249-M276 HydrophobicContact SD-SD 4.04Å; V257-M276 HydrophobicContact CG2-CE 4.36Å; M272-M276 PolarHBondContact O-N 2.84Å; M273-M276 HydrophobicContact CG-CE 4.36Å; M273-M276 PolarHBondContact O-N 3.29Å; M273-M276 HydrophobicContact SD-CE 3.28Å; M273-M276 WeakPolarHBondContact SD-CE 3.46Å; M276-K278 VanDerWaalsContact C-N 3.33Å; M276-K278 PolarHBondContact O-N 3.09Å; M276-E279 PolarHBondContact O-N 2.98Å; M276-R280 PolarHBondContact O-N 3.19Å; M276-R280 VanDerWaalsContact O-N 3.08Å
277C98.7Very high97.8Very high1 Ų157.5 Ų57.51%0.00730%0.297CS..Hα-helixtrans-59.9-44.3177.4-70.20000111.5V257 M273 V275 R280 G281 A282 L284V257-C277 VanDerWaalsContact CG2-SG 3.55Å; M273-C277 WeakPolarHBondContact O-CB 3.35Å; M273-C277 PolarHBondContact O-N 2.92Å; M273-C277 PolarHBondContact O-SG 2.93Å; V275-C277 PolarHBondContact O-N 3.48Å; C277-R280 PolarHBondContact O-N 2.85Å; C277-G281 PolarHBondContact O-N 2.92Å; C277-A282 CarbonylContact C-O 3.58Å; C277-A282 HydrophobicContact CB-CB 4.29Å; C277-A282 PolarHBondContact O-N 3.44Å; C277-L284 HydrophobicContact CB-CB 4.28Å
278K98.5Very high97.3Very high175 Ų17555.2 Ų55.276%0.76129%0.285SS*.Hα-helixtrans-62.2-44179.6-176.8-175.8177.3-173.80111.9G274 V275 M276 R280 G281G274-K278 VanDerWaalsContact O-CB 3.26Å; G274-K278 WeakPolarHBondContact O-CB 3.49Å; G274-K278 PolarHBondContact O-N 3.16Å; V275-K278 PolarHBondContact O-N 2.97Å; V275-K278 VanDerWaalsContact O-N 3.17Å; M276-K278 VanDerWaalsContact C-N 3.33Å; M276-K278 PolarHBondContact O-N 3.09Å; K278-R280 VanDerWaalsContact C-N 3.26Å; K278-R280 PolarHBondContact O-N 2.77Å; K278-G281 PolarHBondContact O-N 2.91Å; K278-G281 VanDerWaalsContact O-N 3.11Å
279E98.4Very high96.8Very high165 Ų16558.6 Ų58.677%0.77131%0.305SS*.Hα-helixtrans-66.2-30.3178.7-71.2-178.6178.600112.4V275 M276V275-E279 WeakPolarHBondContact O-CG 3.34Å; V275-E279 PolarHBondContact O-N 2.78Å; M276-E279 PolarHBondContact O-N 2.98Å
280R98Very high96.3Very high67 Ų6765.7 Ų65.725%0.25333%0.331SS..Hα-helixtrans-79.4-15.2172.4177.3174.4-86-138.610.5114.2E246 M249 M276 C277 K278 A282E246-R280 PolarHBondContact O-NH2 2.87Å; M249-R280 PolarHBondContact O-NH1 2.91Å; M276-R280 PolarHBondContact O-N 3.19Å; M276-R280 VanDerWaalsContact O-N 3.08Å; C277-R280 PolarHBondContact O-N 2.85Å; K278-R280 VanDerWaalsContact C-N 3.26Å; K278-R280 PolarHBondContact O-N 2.77Å; R280-A282 VanDerWaalsContact C-N 3.32Å; R280-A282 HydrophobicContact CB-CB 4.4Å; R280-A282 HydrophobicContact CG-CB 4.17Å
281G98.1Very high96.2Very high59 Ų5964.4 Ų64.461%0.60833%0.325SS*.THydrogen-bonded Turntrans76.218.2-169.700000114.2C277 K278C277-G281 PolarHBondContact O-N 2.92Å; K278-G281 PolarHBondContact O-N 2.91Å; K278-G281 VanDerWaalsContact O-N 3.11Å
282A98.4Very high95.8Very high13 Ų1359.3 Ų59.311%0.10730%0.301CS..  trans-94.3170.3177.300000112.2M249 Q255 C277 R280M249-A282 HydrophobicContact CE-CB 3.59Å; Q255-A282 CarbonylContact O-C 3.54Å; Q255-A282 VanDerWaalsContact O-CA 3.31Å; Q255-A282 WeakPolarHBondContact O-CA 3.34Å; Q255-A282 WeakPolarHBondContact O-CB 3.43Å; C277-A282 CarbonylContact C-O 3.58Å; C277-A282 HydrophobicContact CB-CB 4.29Å; C277-A282 PolarHBondContact O-N 3.44Å; R280-A282 VanDerWaalsContact C-N 3.32Å; R280-A282 HydrophobicContact CB-CB 4.4Å; R280-A282 HydrophobicContact CG-CB 4.17Å
283K98.4Very high95.5Very high135 Ų13559.8 Ų59.859%0.58730%0.304SS*.EExtended strand (participates in β ladder)trans-107.2136176.6-64.5179.4-176.5174.40111.5Q255 E256 V257 F285Q255-K283 PolarHBondContact O-N 3.43Å; E256-K283 CarbonylContact C-O 3.59Å; E256-K283 WeakPolarHBondContact CA-O 3.32Å; V257-K283 PolarHBondContact N-O 2.91Å; K283-F285 HydrophobicContact CB-CE2 3.9Å; K283-F285 HydrophobicContact CB-CZ 4.27Å; K283-F285 HydrophobicContact CD-CZ 4.28Å
284L98.5Very high95.4Very high49 Ų4960.1 Ų60.126%0.25731%0.306SS..EExtended strand (participates in β ladder)trans-95.8132.1168.3176.463.3000110.4V257 I259 Q270 M273 C277V257-L284 HydrophobicContact CB-CD1 4.02Å; V257-L284 HydrophobicContact CG1-CD1 3.87Å; I259-L284 HydrophobicContact CD1-CD1 3.74Å; I259-L284 HydrophobicContact CD1-CD2 4.5Å; I259-L284 HydrophobicContact CG1-CD1 3.82Å; Q270-L284 WeakPolarHBondContact O-CD2 3.3Å; M273-L284 HydrophobicContact CB-CD1 4.21Å; M273-L284 HydrophobicContact CB-CD2 4.09Å; M273-L284 HydrophobicContact CG-CD1 3.67Å; M273-L284 HydrophobicContact CG-CD2 4.39Å; C277-L284 HydrophobicContact CB-CB 4.28Å
285F98.3Very high95.4Very high40 Ų4059 Ų5918%0.17529%0.294CS..EExtended strand (participates in β ladder)trans-117135.5168.3-60.9-83.4000109.7T121 A123 E256 V257 L258 I259 K283T121-F285 HydrophobicContact CG2-CB 4.15Å; T121-F285 WeakPolarHBondContact O-CD1 3.43Å; T121-F285 WeakPolarHBondContact O-CE1 3.45Å; A123-F285 HydrophobicContact CB-CB 4.31Å; A123-F285 HydrophobicContact CB-CD1 4.4Å; A123-F285 HydrophobicContact CB-CD2 3.75Å; A123-F285 HydrophobicContact CB-CE2 4.08Å; A123-F285 HydrophobicContact CB-CG 3.91Å; E256-F285 HydrophobicContact CB-CD2 4.31Å; E256-F285 HydrophobicContact CB-CE2 3.97Å; E256-F285 HydrophobicContact CG-CE2 3.83Å; V257-F285 WeakPolarHBondContact O-CB 3.49Å; V257-F285 PolarHBondContact O-N 3.22Å; L258-F285 WeakPolarHBondContact CA-O 3.32Å; L258-F285 HydrophobicContact CB-CB 4.47Å; L258-F285 HydrophobicContact CD1-CB 3.85Å; I259-F285 PolarHBondContact N-O 3.41Å; K283-F285 HydrophobicContact CB-CE2 3.9Å; K283-F285 HydrophobicContact CB-CZ 4.27Å; K283-F285 HydrophobicContact CD-CZ 4.28Å
286A95Very high95.4Very high31 Ų3155.5 Ų55.526%0.25627%0.273SS..EExtended strand (participates in β ladder)trans-142.5146.9172.300000108.5Q270Q270-A286 HydrophobicContact CG-CB 3.99Å
287T89.5Confident95.4Very high8 Ų855 Ų555%0.04927%0.27CS..  trans-86.2164171.946.40000111.3I120 T121 F291 C292I120-T287 HydrophobicContact CB-CG2 4.1Å; I120-T287 HydrophobicContact CG2-CG2 4.19Å; T121-T287 HydrophobicContact CG2-CG2 3.89Å; T287-F291 HydrophobicContact CG2-CB 4.32Å; T287-C292 VanDerWaalsContact C-SG 3.53Å; T287-C292 PolarHBondContact O-SG 3.07Å; T287-C292 PolarHBondContact OG1-SG 3.2Å
288D86.3Confident95.4Very high56 Ų5655 Ų5530%0.29927%0.27SS..  trans-85.8177.5171.564.860000112.3R290 F291 C292D288-R290 VanDerWaalsContact CG-NE 3.33Å; D288-R290 PolarHBondContact O-N 3.46Å; D288-R290 WeakPolarHBondContact OD1-CA 3.38Å; D288-R290 WeakPolarHBondContact OD1-CB 3.17Å; D288-R290 WeakPolarHBondContact OD1-CG 3.36Å; D288-R290 IonicContact OD1-CZ 3.55Å; D288-R290 PolarHBondContact OD1-N 2.91Å; D288-R290 IonicContact OD1-NE 3.53Å; D288-R290 PolarHBondContact OD1-NE 2.96Å; D288-R290 IonicContact OD1-NH2 2.89Å; D288-R290 IonicContact OD2-CZ 3.73Å; D288-R290 VanDerWaalsContact OD2-CZ 3.3Å; D288-R290 IonicContact OD2-NE 2.93Å; D288-R290 PolarHBondContact OD2-NE 3.16Å; D288-R290 VanDerWaalsContact OD2-NE 3.14Å; D288-R290 IonicContact OD2-NH2 3.32Å; D288-R290 PolarHBondContact OD2-NH2 3.33Å; D288-F291 PolarHBondContact O-N 2.64Å; D288-C292 WeakPolarHBondContact O-CB 3.23Å; D288-C292 PolarHBondContact O-N 3.45Å
289E86.6Confident95.4Very high147 Ų14746.6 Ų46.669%0.68723%0.234SC*.Hα-helixtrans-56.1-23-177.863.1175.4-173.600115.1R29 F291R29-E289 PolarHBondContact NH2-O 3.37Å; E289-F291 VanDerWaalsContact C-N 3.28Å; E289-F291 PolarHBondContact O-N 2.91Å
290R89.6Confident95.5Very high148 Ų14838.8 Ų38.856%0.55820%0.197SC*.Hα-helixtrans-67.7-34.5179.4-56.1173.2-70178.8-1.9110.2R29 D288R29-R290 PolarHBondContact NH1-O 3.44Å; D288-R290 VanDerWaalsContact CG-NE 3.33Å; D288-R290 PolarHBondContact O-N 3.46Å; D288-R290 WeakPolarHBondContact OD1-CA 3.38Å; D288-R290 WeakPolarHBondContact OD1-CB 3.17Å; D288-R290 WeakPolarHBondContact OD1-CG 3.36Å; D288-R290 IonicContact OD1-CZ 3.55Å; D288-R290 PolarHBondContact OD1-N 2.91Å; D288-R290 IonicContact OD1-NE 3.53Å; D288-R290 PolarHBondContact OD1-NE 2.96Å; D288-R290 IonicContact OD1-NH2 2.89Å; D288-R290 IonicContact OD2-CZ 3.73Å; D288-R290 VanDerWaalsContact OD2-CZ 3.3Å; D288-R290 IonicContact OD2-NE 2.93Å; D288-R290 PolarHBondContact OD2-NE 3.16Å; D288-R290 VanDerWaalsContact OD2-NE 3.14Å; D288-R290 IonicContact OD2-NH2 3.32Å; D288-R290 PolarHBondContact OD2-NH2 3.33Å
291F94.7Very high95.5Very high17 Ų1735.7 Ų35.78%0.07519%0.186CC..Hα-helixtrans-117-24.9-170.7-54.7-68.4000115V24 M116 I120 T287 D288 E289 I293 N295V24-F291 HydrophobicContact CG1-CE1 4.34Å; V24-F291 HydrophobicContact CG2-CE1 3.83Å; V24-F291 HydrophobicContact CG2-CZ 4.01Å; M116-F291 HydrophobicContact CE-CD1 4.33Å; M116-F291 HydrophobicContact CG-CB 3.97Å; M116-F291 HydrophobicContact CG-CD1 3.98Å; M116-F291 HydrophobicContact CG-CG 4.22Å; M116-F291 HydrophobicContact SD-CD1 3.65Å; M116-F291 HydrophobicContact SD-CE1 4.05Å; M116-F291 HydrophobicContact SD-CG 4.21Å; I120-F291 HydrophobicContact CD1-CD2 4.07Å; I120-F291 HydrophobicContact CD1-CE1 4.25Å; I120-F291 HydrophobicContact CD1-CE2 3.69Å; I120-F291 HydrophobicContact CD1-CG 4.5Å; I120-F291 HydrophobicContact CD1-CZ 3.79Å; I120-F291 HydrophobicContact CG1-CD1 4.45Å; I120-F291 HydrophobicContact CG1-CD2 3.85Å; I120-F291 HydrophobicContact CG1-CE2 4.01Å; I120-F291 HydrophobicContact CG1-CG 4.07Å; I120-F291 HydrophobicContact CG1-CZ 4.39Å; I120-F291 HydrophobicContact CG2-CD2 4.17Å; I120-F291 HydrophobicContact CG2-CE2 4.4Å; T287-F291 HydrophobicContact CG2-CB 4.32Å; D288-F291 PolarHBondContact O-N 2.64Å; E289-F291 VanDerWaalsContact C-N 3.28Å; E289-F291 PolarHBondContact O-N 2.91Å; F291-I293 PolarHBondContact O-N 3.4Å; F291-N295 PolarHBondContact O-ND2 2.99Å
292C90.1Very high95.5Very high0 Ų032.9 Ų32.90%016%0.157CC..Hα-helixtrans-63.8-38.6175.5-82.90000113H113 G261 G262 C265 T287 D288H113-C292 PolarHBondContact CE1-O 3.11Å; G261-C292 CarbonylContact C-O 3.48Å; G261-C292 WeakPolarHBondContact CA-O 3.33Å; G262-C292 PolarHBondContact N-O 3.02Å; C265-C292 HydrophobicContact CB-CB 4.44Å; C265-C292 WeakPolarHBondContact SG-CB 3.5Å; T287-C292 VanDerWaalsContact C-SG 3.53Å; T287-C292 PolarHBondContact O-SG 3.07Å; T287-C292 PolarHBondContact OG1-SG 3.2Å; D288-C292 WeakPolarHBondContact O-CB 3.23Å; D288-C292 PolarHBondContact O-N 3.45Å
293I93.3Very high95.5Very high37 Ų3732.3 Ų32.319%0.1915%0.152CC..SBendtrans-81139.4177.4-52.6-60.2000109K13 R29 F291 N295K13-I293 HydrophobicContact CD-CG2 4.08Å; K13-I293 HydrophobicContact CG-CG2 3.93Å; R29-I293 PolarHBondContact NH1-O 2.93Å; F291-I293 PolarHBondContact O-N 3.4Å; I293-N295 PolarHBondContact O-N 3.42Å; I293-N295 PolarHBondContact O-ND2 3.03Å
294D97.7Very high95.5Very high7 Ų727.4 Ų27.44%0.03713%0.13CC..  trans-41.7125.8178.2-49.2-33.3000111.7E8 K13 R29 H109 H113 M298E8-D294 HydrophobicContact CG-CB 4Å; K13-D294 HydrophobicContact CB-CB 4.31Å; K13-D294 WeakPolarHBondContact CE-OD2 3.34Å; K13-D294 IonicContact NZ-OD2 2.78Å; K13-D294 PolarHBondContact NZ-OD2 3.19Å; R29-D294 WeakPolarHBondContact CD-O 3.45Å; R29-D294 PolarHBondContact NH1-O 3.01Å; H109-D294 IonicContact CE1-OD1 2.94Å; H109-D294 PolarHBondContact CE1-OD1 2.88Å; H109-D294 VanDerWaalsContact CE1-OD1 3.32Å; H109-D294 IonicContact NE2-OD1 2.83Å; H113-D294 IonicContact CE1-OD1 2.95Å; H113-D294 PolarHBondContact CE1-OD1 2.81Å; H113-D294 IonicContact NE2-OD1 3.6Å; H113-D294 PolarHBondContact NE2-OD1 3.34Å; D294-M298 HydrophobicContact CB-CE 4.43Å
295N98.5Very high95.5Very high0 Ų026.2 Ų26.20%012%0.123CC..  trans-150.9156-173.165.389.1000111.7E8 N27 F291 I293 A297 M298E8-N295 WeakPolarHBondContact CB-O 3.32Å; N27-N295 PolarHBondContact ND2-OD1 3.35Å; F291-N295 PolarHBondContact O-ND2 2.99Å; I293-N295 PolarHBondContact O-N 3.42Å; I293-N295 PolarHBondContact O-ND2 3.03Å; N295-A297 VanDerWaalsContact C-N 3.33Å; N295-A297 PolarHBondContact O-N 2.99Å; N295-A297 WeakPolarHBondContact OD1-CB 3.34Å; N295-A297 PolarHBondContact OD1-N 3.22Å; N295-M298 VanDerWaalsContact O-CG 3.24Å; N295-M298 WeakPolarHBondContact O-CG 3.35Å; N295-M298 PolarHBondContact OD1-N 2.96Å
296G98.7Very high95.4Very high0 Ų024.6 Ų24.60%012%0.116CC..Hα-helixtrans-71.5-28.7-177.200000113G6 N27 M298 I299 A300G6-G296 CarbonylContact C-O 3.6Å; G6-G296 WeakPolarHBondContact CA-O 3.43Å; G6-G296 WeakPolarHBondContact O-CA 3.41Å; N27-G296 PolarHBondContact OD1-N 2.96Å; G296-M298 VanDerWaalsContact C-N 3.28Å; G296-M298 PolarHBondContact O-N 3.3Å; G296-I299 PolarHBondContact O-N 2.91Å; G296-A300 PolarHBondContact O-N 3.46Å
297A98.6Very high95.6Very high0 Ų025.8 Ų25.80%012%0.115CC..Hα-helixtrans-63.7-33.9179.400000112.2I19 V24 N27 M116 N295 I299 A300 Q301I19-A297 HydrophobicContact CD1-CB 4.37Å; V24-A297 HydrophobicContact CG1-CB 4.06Å; N27-A297 HydrophobicContact CB-CB 4.18Å; N27-A297 WeakPolarHBondContact OD1-CB 3.41Å; N27-A297 PolarHBondContact OD1-N 3.49Å; N27-A297 VanDerWaalsContact OD1-N 3.12Å; M116-A297 HydrophobicContact CE-CB 3.73Å; M116-A297 WeakPolarHBondContact CE-O 3.3Å; N295-A297 VanDerWaalsContact C-N 3.33Å; N295-A297 PolarHBondContact O-N 2.99Å; N295-A297 WeakPolarHBondContact OD1-CB 3.34Å; N295-A297 PolarHBondContact OD1-N 3.22Å; A297-I299 VanDerWaalsContact C-N 3.27Å; A297-I299 PolarHBondContact O-N 2.78Å; A297-A300 WeakPolarHBondContact O-CB 2.92Å; A297-A300 PolarHBondContact O-N 3.42Å; A297-Q301 WeakPolarHBondContact O-CB 3.12Å; A297-Q301 PolarHBondContact O-N 3.36Å
298M98.6Very high95.9Very high0 Ų031.2 Ų31.20%014%0.135CC..Hα-helixtrans-64.9-34.9177.989.3-163.8-177.800112.2E8 H109 G112 M116 D294 N295 G296 A302E8-M298 HydrophobicContact CG-CE 3.76Å; E8-M298 VanDerWaalsContact OE2-CE 3.26Å; E8-M298 WeakPolarHBondContact OE2-CE 3.29Å; H109-M298 WeakPolarHBondContact CE1-CE 3.31Å; H109-M298 VanDerWaalsContact ND1-CE 3.3Å; H109-M298 WeakPolarHBondContact ND1-CE 3.29Å; G112-M298 WeakPolarHBondContact CA-O 3.47Å; G112-M298 WeakPolarHBondContact O-CB 3.29Å; M116-M298 HydrophobicContact CB-CB 3.63Å; M116-M298 HydrophobicContact CE-CB 4.37Å; M116-M298 HydrophobicContact CG-CB 4.02Å; D294-M298 HydrophobicContact CB-CE 4.43Å; N295-M298 VanDerWaalsContact O-CG 3.24Å; N295-M298 WeakPolarHBondContact O-CG 3.35Å; N295-M298 PolarHBondContact OD1-N 2.96Å; G296-M298 VanDerWaalsContact C-N 3.28Å; G296-M298 PolarHBondContact O-N 3.3Å; M298-A302 PolarHBondContact O-N 3.43Å; M298-A302 VanDerWaalsContact O-N 3.13Å
299I98.9Very high96.3Very high0 Ų030.4 Ų30.40%013%0.134CC..Hα-helixtrans-73.9-38.6175.4-60.3-56.1000110.5E8 A75 T77 V107 G296 A297 Q301 G303E8-I299 HydrophobicContact CB-CG1 3.81Å; E8-I299 HydrophobicContact CG-CG1 4.46Å; A75-I299 HydrophobicContact CB-CG2 3.91Å; T77-I299 HydrophobicContact CG2-CD1 4.41Å; T77-I299 WeakPolarHBondContact OG1-CD1 3.23Å; T77-I299 WeakPolarHBondContact OG1-CG1 3.04Å; V107-I299 HydrophobicContact CB-CD1 4.41Å; V107-I299 HydrophobicContact CB-CG2 4.06Å; V107-I299 HydrophobicContact CG1-CD1 3.98Å; V107-I299 HydrophobicContact CG1-CG2 4.43Å; V107-I299 HydrophobicContact CG2-CG2 4.09Å; G296-I299 PolarHBondContact O-N 2.91Å; A297-I299 VanDerWaalsContact C-N 3.27Å; A297-I299 PolarHBondContact O-N 2.78Å; I299-Q301 VanDerWaalsContact C-N 3.34Å; I299-G303 PolarHBondContact O-N 3.22Å
300A98.8Very high96.8Very high0 Ų026.4 Ų26.40%013%0.132CC..Hα-helixtrans-62.4-41.3173.400000111.8V4 I19 G296 A297 G303 W304V4-A300 HydrophobicContact CG1-CB 4.32Å; V4-A300 WeakPolarHBondContact CG1-O 3.4Å; I19-A300 HydrophobicContact CB-CB 4.05Å; I19-A300 HydrophobicContact CG1-CB 3.65Å; G296-A300 PolarHBondContact O-N 3.46Å; A297-A300 WeakPolarHBondContact O-CB 2.92Å; A297-A300 PolarHBondContact O-N 3.42Å; A300-G303 CarbonylContact O-C 3.55Å; A300-G303 PolarHBondContact O-N 2.97Å; A300-W304 WeakPolarHBondContact O-CB 3.41Å; A300-W304 PolarHBondContact O-N 2.72Å
301Q98.6Very high97.1Very high3 Ų323.7 Ų23.71%0.01412%0.122CC..Hα-helixtrans-66.8-51.3180174.754.523.300112I19 E115 M116 L119 A297 I299 G303 W304 E305I19-Q301 HydrophobicContact CG1-CB 4.31Å; E115-Q301 HydrophobicContact CB-CG 4.27Å; M116-Q301 HydrophobicContact CE-CB 3.77Å; M116-Q301 HydrophobicContact CE-CG 4.49Å; L119-Q301 HydrophobicContact CB-CG 4.24Å; L119-Q301 HydrophobicContact CD2-CG 3.93Å; A297-Q301 WeakPolarHBondContact O-CB 3.12Å; A297-Q301 PolarHBondContact O-N 3.36Å; I299-Q301 VanDerWaalsContact C-N 3.34Å; Q301-G303 VanDerWaalsContact C-N 3.25Å; Q301-G303 PolarHBondContact O-N 3.06Å; Q301-W304 WeakPolarHBondContact O-CB 3.5Å; Q301-W304 PolarHBondContact O-N 3.49Å; Q301-W304 VanDerWaalsContact O-N 3.11Å; Q301-E305 PolarHBondContact NE2-OE1 3.26Å; Q301-E305 PolarHBondContact O-N 3.31Å
302A98.6Very high97.2Very high0 Ų025.9 Ų25.90%014%0.137CC..Hα-helixtrans-62.6-36.4175.200000111.5V107 I111 E115 M298 E305 M306V107-A302 HydrophobicContact CG1-CB 3.63Å; I111-A302 HydrophobicContact CG2-CB 4.34Å; E115-A302 HydrophobicContact CB-CB 4.17Å; E115-A302 HydrophobicContact CG-CB 4.19Å; M298-A302 PolarHBondContact O-N 3.43Å; M298-A302 VanDerWaalsContact O-N 3.13Å; A302-E305 PolarHBondContact O-N 3.17Å; A302-M306 WeakPolarHBondContact O-CB 3.3Å; A302-M306 VanDerWaalsContact O-CG 3.22Å; A302-M306 WeakPolarHBondContact O-CG 3.28Å; A302-M306 PolarHBondContact O-N 3.47Å
303G98.3Very high97.6Very high0 Ų026.2 Ų26.20%014%0.139CC..Hα-helixtrans-60.5-41.7171.200000112.9L105 I299 A300 Q301 M306 F307L105-G303 WeakPolarHBondContact CD1-O 3.32Å; I299-G303 PolarHBondContact O-N 3.22Å; A300-G303 CarbonylContact O-C 3.55Å; A300-G303 PolarHBondContact O-N 2.97Å; Q301-G303 VanDerWaalsContact C-N 3.25Å; Q301-G303 PolarHBondContact O-N 3.06Å; G303-M306 PolarHBondContact O-N 2.73Å; G303-F307 VanDerWaalsContact O-CB 3.28Å; G303-F307 WeakPolarHBondContact O-CB 3.38Å; G303-F307 PolarHBondContact O-N 2.82Å
304W98.3Very high97.8Very high33 Ų3329.9 Ų29.913%0.12516%0.155CC..Hα-helixtrans-64.3-40.217717880.5000112.6V4 D21 A300 Q301 R308V4-W304 HydrophobicContact CB-CB 4.32Å; V4-W304 HydrophobicContact CG2-CB 3.76Å; V4-W304 HydrophobicContact CG2-CG 4.33Å; D21-W304 VanDerWaalsContact CA-CZ2 3.42Å; D21-W304 HydrophobicContact CB-CZ2 4.21Å; A300-W304 WeakPolarHBondContact O-CB 3.41Å; A300-W304 PolarHBondContact O-N 2.72Å; Q301-W304 WeakPolarHBondContact O-CB 3.5Å; Q301-W304 PolarHBondContact O-N 3.49Å; Q301-W304 VanDerWaalsContact O-N 3.11Å; W304-R308 VanDerWaalsContact CH2-CZ 3.43Å; W304-R308 PolarHBondContact O-N 2.9Å; W304-R308 VanDerWaalsContact O-N 3.1Å
305E97.9Very high97.7Very high24 Ų2433.1 Ų33.111%0.11217%0.172CC..Hα-helixtrans-62.3-48.9172.3-68-62.3159.400111.8Q301 A302 F307 R308 S309 W333Q301-E305 PolarHBondContact NE2-OE1 3.26Å; Q301-E305 PolarHBondContact O-N 3.31Å; A302-E305 PolarHBondContact O-N 3.17Å; E305-F307 PolarHBondContact O-N 2.92Å; E305-R308 VanDerWaalsContact CD-CZ 3.5Å; E305-R308 PolarHBondContact O-N 3.47Å; E305-R308 IonicContact OE1-CZ 3.78Å; E305-R308 IonicContact OE1-NH1 3.8Å; E305-R308 PolarHBondContact OE1-NH1 2.9Å; E305-R308 IonicContact OE2-CZ 3.35Å; E305-R308 IonicContact OE2-NE 3.37Å; E305-R308 PolarHBondContact OE2-NE 2.97Å; E305-R308 IonicContact OE2-NH1 3.58Å; E305-R308 PolarHBondContact OE2-NH1 3.33Å; E305-S309 PolarHBondContact O-N 3.41Å; E305-S309 PolarHBondContact O-OG 3.33Å; E305-W333 HydrophobicContact CB-CB 4.22Å; E305-W333 HydrophobicContact CB-CD2 3.9Å; E305-W333 HydrophobicContact CB-CG 3.68Å; E305-W333 HydrophobicContact CG-CG 4.43Å
306M97.9Very high97.7Very high6 Ų640.7 Ų40.73%0.0321%0.207CC..Hα-helixtrans-60.8-42.5177.8-71.7171.667.400112.4L105 V107 A302 G303 S309 G310 Y311 W333L105-M306 HydrophobicContact CD2-CB 4.47Å; V107-M306 HydrophobicContact CG2-SD 3.97Å; A302-M306 WeakPolarHBondContact O-CB 3.3Å; A302-M306 VanDerWaalsContact O-CG 3.22Å; A302-M306 WeakPolarHBondContact O-CG 3.28Å; A302-M306 PolarHBondContact O-N 3.47Å; G303-M306 PolarHBondContact O-N 2.73Å; M306-S309 PolarHBondContact O-N 2.91Å; M306-S309 PolarHBondContact O-OG 3.38Å; M306-G310 PolarHBondContact O-N 3.44Å; M306-Y311 HydrophobicContact CE-CD1 3.33Å; M306-Y311 HydrophobicContact CE-CE1 3.47Å; M306-Y311 VanDerWaalsContact CE-CE1 3.47Å; M306-Y311 HydrophobicContact CE-CG 4.01Å; M306-Y311 WeakPolarHBondContact O-CB 3.24Å; M306-Y311 PolarHBondContact O-N 3.01Å; M306-W333 HydrophobicContact CB-CZ3 4.5Å; M306-W333 HydrophobicContact CG-CE3 3.99Å; M306-W333 HydrophobicContact CG-CH2 3.85Å; M306-W333 HydrophobicContact CG-CZ3 3.45Å; M306-W333 VanDerWaalsContact CG-CZ3 3.45Å
307F97.3Very high97.6Very high56 Ų5643.9 Ų43.925%0.24623%0.225CC..Hα-helixtrans-65.4-43.4-179.7-170.8-112000111.8T2 C73 P103 L105 G303 E305 S309 G310T2-F307 HydrophobicContact CG2-CD1 3.66Å; T2-F307 HydrophobicContact CG2-CE1 3.92Å; C73-F307 HydrophobicContact CB-CD2 4.05Å; C73-F307 HydrophobicContact CB-CE2 4.2Å; C73-F307 HydrophobicContact CB-CG 4.25Å; P103-F307 HydrophobicContact CB-CE2 4.14Å; P103-F307 HydrophobicContact CG-CE2 4.04Å; L105-F307 HydrophobicContact CD1-CB 3.97Å; G303-F307 VanDerWaalsContact O-CB 3.28Å; G303-F307 WeakPolarHBondContact O-CB 3.38Å; G303-F307 PolarHBondContact O-N 2.82Å; E305-F307 PolarHBondContact O-N 2.92Å; F307-S309 PolarHBondContact O-N 3.46Å; F307-G310 PolarHBondContact O-N 2.92Å
308R96Very high97.5Very high122 Ų12243.9 Ų43.946%0.4623%0.225SC..Hα-helixtrans-61.2-32.9179.1108.3175.180.9-126.5-112.9111.6W304 E305 G310W304-R308 VanDerWaalsContact CH2-CZ 3.43Å; W304-R308 PolarHBondContact O-N 2.9Å; W304-R308 VanDerWaalsContact O-N 3.1Å; E305-R308 VanDerWaalsContact CD-CZ 3.5Å; E305-R308 PolarHBondContact O-N 3.47Å; E305-R308 IonicContact OE1-CZ 3.78Å; E305-R308 IonicContact OE1-NH1 3.8Å; E305-R308 PolarHBondContact OE1-NH1 2.9Å; E305-R308 IonicContact OE2-CZ 3.35Å; E305-R308 IonicContact OE2-NE 3.37Å; E305-R308 PolarHBondContact OE2-NE 2.97Å; E305-R308 IonicContact OE2-NH1 3.58Å; E305-R308 PolarHBondContact OE2-NH1 3.33Å; R308-G310 PolarHBondContact O-N 3.01Å
309S96.4Very high97.4Very high39 Ų3950.6 Ų50.627%0.27325%0.25SS..THydrogen-bonded Turntrans-84.56.6179.768.40000113E305 M306 F307 T332E305-S309 PolarHBondContact O-N 3.41Å; E305-S309 PolarHBondContact O-OG 3.33Å; M306-S309 PolarHBondContact O-N 2.91Å; M306-S309 PolarHBondContact O-OG 3.38Å; F307-S309 PolarHBondContact O-N 3.46Å; S309-T332 VanDerWaalsContact CB-OG1 3.29Å; S309-T332 WeakPolarHBondContact CB-OG1 3.46Å; S309-T332 PolarHBondContact OG-OG1 2.91Å
310G96.1Very high97.4Very high63 Ų6352.5 Ų52.565%0.64926%0.26SS*.THydrogen-bonded Turntrans86.411174.900000114.7M306 F307 R308M306-G310 PolarHBondContact O-N 3.44Å; F307-G310 PolarHBondContact O-N 2.92Å; R308-G310 PolarHBondContact O-N 3.01Å
311Y95.9Very high97.4Very high90 Ų9054.4 Ų54.435%0.35327%0.271SS..  trans-76.1138.4176.8-163.2-88.6000111L105 M306L105-Y311 HydrophobicContact CD2-CD1 4.08Å; L105-Y311 WeakPolarHBondContact CD2-O 3.46Å; M306-Y311 HydrophobicContact CE-CD1 3.33Å; M306-Y311 HydrophobicContact CE-CE1 3.47Å; M306-Y311 VanDerWaalsContact CE-CE1 3.47Å; M306-Y311 HydrophobicContact CE-CG 4.01Å; M306-Y311 WeakPolarHBondContact O-CB 3.24Å; M306-Y311 PolarHBondContact O-N 3.01Å
312V96.6Very high97.4Very high64 Ų6460 Ų6039%0.38830%0.298SS..  trans-141.5147.3171.2-179.10000108.1P103P103-V312 HydrophobicContact CB-CG1 4.13Å; P103-V312 HydrophobicContact CB-CG2 4.47Å
313T98Very high97.3Very high6 Ų670.4 Ų70.44%0.03734%0.337CS..  trans-106.5112.6173.4-54.50000109.6L104 G106 D317L104-T313 WeakPolarHBondContact O-CB 3.47Å; L104-T313 PolarHBondContact O-N 3.22Å; G106-T313 PolarHBondContact N-OG1 2.95Å; T313-D317 HydrophobicContact CG2-CB 4.44Å
314E97.8Very high97.3Very high114 Ų11471.9 Ų71.953%0.53334%0.343SS..  trans-61.6151.6172.8-66-54.913800111.2E316 D317 S318E314-E316 HydrophobicContact CB-CG 4.15Å; E314-E316 PolarHBondContact O-N 3.4Å; E314-D317 CarbonylContact O-C 3.59Å; E314-D317 PolarHBondContact O-N 3.17Å; E314-S318 PolarHBondContact O-N 3.44Å
315L96.6Very high97.4Very high76 Ų7674.6 Ų74.640%0.39835%0.353SS..THydrogen-bonded Turntrans-60.5-36-177.9-79.5171.5000112.2R94 Q98 L104 D317 S318R94-L315 HydrophobicContact CB-CD2 4.22Å; R94-L315 HydrophobicContact CG-CD2 4.16Å; Q98-L315 HydrophobicContact CG-CD1 3.74Å; Q98-L315 HydrophobicContact CG-CD2 4.32Å; L104-L315 HydrophobicContact CD2-CD2 4.18Å; L315-D317 VanDerWaalsContact C-N 3.3Å; L315-D317 PolarHBondContact O-N 2.95Å; L315-S318 WeakPolarHBondContact O-CB 3.47Å; L315-S318 PolarHBondContact O-N 3.11Å; L315-S318 PolarHBondContact O-OG 2.88Å
316E97.3Very high97.4Very high158 Ų15873.4 Ų73.474%0.73835%0.347SS*.THydrogen-bonded Turntrans-64.3-35.1175.461.4-174.4176.100112.4E314 S318 W319E314-E316 HydrophobicContact CB-CG 4.15Å; E314-E316 PolarHBondContact O-N 3.4Å; E316-S318 VanDerWaalsContact C-N 3.34Å; E316-W319 WeakPolarHBondContact O-CZ3 3.48Å
317D97.1Very high97.4Very high68 Ų6875 Ų7536%0.36436%0.356SS..THydrogen-bonded Turntrans-87.8-0.4179.7-67.9-36.7000114.6K78 T313 E314 L315 W319K78-D317 VanDerWaalsContact CE-O 3.3Å; K78-D317 WeakPolarHBondContact CE-O 3.32Å; K78-D317 PolarHBondContact NZ-O 3.48Å; T313-D317 HydrophobicContact CG2-CB 4.44Å; E314-D317 CarbonylContact O-C 3.59Å; E314-D317 PolarHBondContact O-N 3.17Å; L315-D317 VanDerWaalsContact C-N 3.3Å; L315-D317 PolarHBondContact O-N 2.95Å; D317-W319 VanDerWaalsContact CA-CZ3 3.4Å; D317-W319 HydrophobicContact CB-CH2 4.26Å; D317-W319 HydrophobicContact CB-CZ3 4.24Å; D317-W319 PolarHBondContact O-N 3.41Å; D317-W319 WeakPolarHBondContact OD1-CH2 3.42Å; D317-W319 VanDerWaalsContact OD1-CZ3 3.31Å; D317-W319 WeakPolarHBondContact OD1-CZ3 3.33Å
318S97.6Very high97.4Very high0 Ų077 Ų770%037%0.366CS..  trans-81.310.9-173.172.90000114.2Y76 R94 E314 L315 E316Y76-S318 VanDerWaalsContact OH-CA 3.25Å; Y76-S318 WeakPolarHBondContact OH-CA 3.44Å; Y76-S318 WeakPolarHBondContact OH-CB 3.32Å; Y76-S318 PolarHBondContact OH-O 2.86Å; R94-S318 WeakPolarHBondContact CD-OG 3.37Å; R94-S318 PolarHBondContact NE-O 3.05Å; R94-S318 PolarHBondContact NE-OG 3.46Å; R94-S318 PolarHBondContact NH2-O 2.96Å; E314-S318 PolarHBondContact O-N 3.44Å; L315-S318 WeakPolarHBondContact O-CB 3.47Å; L315-S318 PolarHBondContact O-N 3.11Å; L315-S318 PolarHBondContact O-OG 2.88Å; E316-S318 VanDerWaalsContact C-N 3.34Å
319W96.3Very high97.4Very high141 Ų14171.9 Ų71.953%0.53435%0.348SS..  trans-55.5151176.561.279.2000112.5K78 R94 E316 D317K78-W319 WeakPolarHBondContact CE-O 3.25Å; K78-W319 WeakPolarHBondContact CG-O 3.48Å; R94-W319 VanDerWaalsContact NH2-CA 3.3Å; E316-W319 WeakPolarHBondContact O-CZ3 3.48Å; D317-W319 VanDerWaalsContact CA-CZ3 3.4Å; D317-W319 HydrophobicContact CB-CH2 4.26Å; D317-W319 HydrophobicContact CB-CZ3 4.24Å; D317-W319 PolarHBondContact O-N 3.41Å; D317-W319 WeakPolarHBondContact OD1-CH2 3.42Å; D317-W319 VanDerWaalsContact OD1-CZ3 3.31Å; D317-W319 WeakPolarHBondContact OD1-CZ3 3.33Å
320I98.4Very high97.5Very high39 Ų3974.9 Ų74.920%0.236%0.358CS..  trans-81.4155.7172.563.791.4000109.8K78 L86 V87 A90K78-I320 CarbonylContact O-C 3.53Å; K78-I320 WeakPolarHBondContact O-CA 3.25Å; L86-I320 HydrophobicContact CB-CB 4.04Å; L86-I320 HydrophobicContact CB-CD1 4.37Å; L86-I320 HydrophobicContact CB-CG1 4.34Å; L86-I320 HydrophobicContact CB-CG2 4Å; L86-I320 HydrophobicContact CD1-CD1 4.49Å; V87-I320 HydrophobicContact CG2-CD1 4.19Å; V87-I320 HydrophobicContact CG2-CG1 3.79Å; A90-I320 HydrophobicContact CB-CG2 3.53Å
321T98.2Very high97.5Very high40 Ų4071.9 Ų71.925%0.24533%0.327CS..  trans-134.4130.8167.5176.50000110.1K78 G79 R323 Y324K78-T321 PolarHBondContact O-N 3.19Å; G79-T321 VanDerWaalsContact CA-O 3.26Å; G79-T321 WeakPolarHBondContact CA-O 3.49Å; T321-R323 PolarHBondContact O-N 3.5Å; T321-R323 PolarHBondContact OG1-N 3.27Å; T321-R323 PolarHBondContact OG1-O 3.09Å; T321-Y324 HydrophobicContact CG2-CD1 4.27Å; T321-Y324 HydrophobicContact CG2-CD2 4.4Å; T321-Y324 HydrophobicContact CG2-CG 3.85Å
322Q98.3Very high97.5Very high122 Ų12270.1 Ų70.157%0.5733%0.326SS*.SBendtrans-71.1-20.5175.7-66-172.68700111.8P80 G81 G83P80-Q322 VanDerWaalsContact CB-O 3.25Å; P80-Q322 WeakPolarHBondContact CB-O 3.49Å; G81-Q322 PolarHBondContact N-O 3.32Å; G81-Q322 WeakPolarHBondContact O-CA 3.37Å; G81-Q322 WeakPolarHBondContact O-CB 3.38Å; G81-Q322 WeakPolarHBondContact O-CG 3.47Å; G83-Q322 VanDerWaalsContact N-OE1 3.09Å
323R98.1Very high97.5Very high218 Ų21868.7 Ų68.782%0.82331%0.313SS*.  trans-125.899.2-179.6-61.8177.5-176.9171.5-0.8107.7T321T321-R323 PolarHBondContact O-N 3.5Å; T321-R323 PolarHBondContact OG1-N 3.27Å; T321-R323 PolarHBondContact OG1-O 3.09Å
324Y98.4Very high97.3Very high30 Ų3070 Ų7012%0.11832%0.318CS..  trans-122.5102.3173.3-158.6-174.2000107.3K78 P80 N108 T321 E328 V329K78-Y324 HydrophobicContact CB-CD1 4.31Å; K78-Y324 HydrophobicContact CB-CE1 4.18Å; K78-Y324 HydrophobicContact CD-CE1 4.23Å; P80-Y324 WeakPolarHBondContact CD-O 3.35Å; N108-Y324 HydrophobicContact CB-CD1 3.74Å; N108-Y324 HydrophobicContact CB-CE1 3.66Å; N108-Y324 VanDerWaalsContact ND2-CD1 3.34Å; N108-Y324 WeakPolarHBondContact ND2-CD1 3.23Å; N108-Y324 VanDerWaalsContact ND2-CG 3.28Å; N108-Y324 PolarHBondContact ND2-O 3.41Å; T321-Y324 HydrophobicContact CG2-CD1 4.27Å; T321-Y324 HydrophobicContact CG2-CD2 4.4Å; T321-Y324 HydrophobicContact CG2-CG 3.85Å; Y324-E328 HydrophobicContact CD2-CB 4.24Å; Y324-E328 VanDerWaalsContact CD2-OE2 3.27Å; Y324-E328 WeakPolarHBondContact CD2-OE2 3.5Å; Y324-E328 HydrophobicContact CE2-CB 4.03Å; Y324-V329 HydrophobicContact CE1-CG2 4.2Å; Y324-V329 HydrophobicContact CE2-CG2 3.96Å; Y324-V329 WeakPolarHBondContact OH-CG2 3.37Å
325R98.4Very high96.8Very high90 Ų9073.6 Ų73.634%0.3434%0.341SS..  trans-69.1148.7-180-66-178.354.288.5-4.9110.5N108 I148 E151 D327 E328N108-R325 PolarHBondContact ND2-O 3.13Å; I148-R325 VanDerWaalsContact CD1-NH2 3.27Å; E151-R325 IonicContact OE1-CZ 3.36Å; E151-R325 IonicContact OE1-NH1 3.5Å; E151-R325 PolarHBondContact OE1-NH1 3.36Å; E151-R325 IonicContact OE1-NH2 3.19Å; E151-R325 PolarHBondContact OE1-NH2 3.02Å; E151-R325 IonicContact OE2-NH1 2.91Å; R325-D327 WeakPolarHBondContact CB-OD1 3.36Å; R325-D327 IonicContact CZ-OD1 4Å; R325-D327 IonicContact CZ-OD2 2.91Å; R325-D327 IonicContact NE-OD1 2.75Å; R325-D327 PolarHBondContact NE-OD1 3.44Å; R325-D327 IonicContact NE-OD2 3.48Å; R325-D327 PolarHBondContact NE-OD2 2.78Å; R325-D327 IonicContact NH2-OD1 3.67Å; R325-D327 IonicContact NH2-OD2 2.73Å; R325-D327 PolarHBondContact NH2-OD2 3.06Å; R325-D327 PolarHBondContact O-N 3.05Å; R325-E328 HydrophobicContact CB-CG 3.96Å; R325-E328 VanDerWaalsContact CB-OE1 3.29Å; R325-E328 WeakPolarHBondContact CB-OE1 3.44Å; R325-E328 WeakPolarHBondContact CG-OE1 3.49Å; R325-E328 PolarHBondContact N-OE1 2.69Å; R325-E328 WeakPolarHBondContact O-CB 3.45Å; R325-E328 PolarHBondContact O-N 3.07Å
326T98.4Very high96.9Very high0 Ų073.5 Ų73.50%034%0.338CS..G310 helixtrans-62.2-34.1179.1-49.10000111.9C110 I111 I114 Q137 I139 Y146 E328C110-T326 HydrophobicContact CB-CG2 4.01Å; C110-T326 VanDerWaalsContact CB-OG1 3.3Å; C110-T326 WeakPolarHBondContact CB-OG1 3.43Å; C110-T326 PolarHBondContact SG-OG1 3.39Å; C110-T326 VanDerWaalsContact SG-OG1 3.41Å; I111-T326 HydrophobicContact CG1-CG2 4.11Å; I114-T326 HydrophobicContact CD1-CG2 4.13Å; Q137-T326 PolarHBondContact OE1-OG1 2.93Å; I139-T326 HydrophobicContact CD1-CG2 4.13Å; I139-T326 HydrophobicContact CG2-CG2 4.49Å; Y146-T326 CarbonylContact O-C 3.52Å; T326-E328 VanDerWaalsContact C-N 3.33Å; T326-E328 PolarHBondContact O-N 3.14Å
327D97.5Very high96.8Very high40 Ų4069.1 Ų69.121%0.21432%0.317CS..G310 helixtrans-82.6-3.9-178.756.38.7000114.1R145 Y146 R325R145-D327 WeakPolarHBondContact CD-O 3.21Å; R145-D327 PolarHBondContact NH1-O 3.23Å; Y146-D327 VanDerWaalsContact O-CA 3.28Å; Y146-D327 WeakPolarHBondContact O-CA 3.4Å; Y146-D327 WeakPolarHBondContact O-CB 3.49Å; Y146-D327 PolarHBondContact O-N 2.94Å; R325-D327 WeakPolarHBondContact CB-OD1 3.36Å; R325-D327 IonicContact CZ-OD1 4Å; R325-D327 IonicContact CZ-OD2 2.91Å; R325-D327 IonicContact NE-OD1 2.75Å; R325-D327 PolarHBondContact NE-OD1 3.44Å; R325-D327 IonicContact NE-OD2 3.48Å; R325-D327 PolarHBondContact NE-OD2 2.78Å; R325-D327 IonicContact NH2-OD1 3.67Å; R325-D327 IonicContact NH2-OD2 2.73Å; R325-D327 PolarHBondContact NH2-OD2 3.06Å; R325-D327 PolarHBondContact O-N 3.05Å
328E97.7Very high96.8Very high98 Ų9869.1 Ų69.146%0.45831%0.314SS..G310 helixtrans-75-26.3175.7-77167-147.200112.4R145 Y324 R325 T326R145-E328 PolarHBondContact NH1-O 2.88Å; R145-E328 VanDerWaalsContact NH1-O 3.1Å; Y324-E328 HydrophobicContact CD2-CB 4.24Å; Y324-E328 VanDerWaalsContact CD2-OE2 3.27Å; Y324-E328 WeakPolarHBondContact CD2-OE2 3.5Å; Y324-E328 HydrophobicContact CE2-CB 4.03Å; R325-E328 HydrophobicContact CB-CG 3.96Å; R325-E328 VanDerWaalsContact CB-OE1 3.29Å; R325-E328 WeakPolarHBondContact CB-OE1 3.44Å; R325-E328 WeakPolarHBondContact CG-OE1 3.49Å; R325-E328 PolarHBondContact N-OE1 2.69Å; R325-E328 WeakPolarHBondContact O-CB 3.45Å; R325-E328 PolarHBondContact O-N 3.07Å; T326-E328 VanDerWaalsContact C-N 3.33Å; T326-E328 PolarHBondContact O-N 3.14Å
329V97.2Very high96.8Very high13 Ų1373.2 Ų73.28%0.07933%0.333CS..SBendtrans-83.6129.1-175.6-179.40000110.7N108 I111 Y324 W333N108-V329 HydrophobicContact CB-CG2 3.78Å; I111-V329 HydrophobicContact CD1-CB 3.46Å; I111-V329 VanDerWaalsContact CD1-CB 3.46Å; I111-V329 HydrophobicContact CD1-CG1 3.63Å; I111-V329 HydrophobicContact CD1-CG2 3.68Å; Y324-V329 HydrophobicContact CE1-CG2 4.2Å; Y324-V329 HydrophobicContact CE2-CG2 3.96Å; Y324-V329 WeakPolarHBondContact OH-CG2 3.37Å; V329-W333 HydrophobicContact CG1-CH2 4.26Å
330E97Very high96.8Very high103 Ų10368.9 Ų68.948%0.48132%0.32SS..  trans-79.2121166.7-169.7178.1-178.300110T332E330-T332 HydrophobicContact CG-CG2 3.89Å; E330-T332 PolarHBondContact O-N 2.95Å
331V97.3Very high96.7Very high0 Ų070.9 Ų70.90%033%0.328CS..  trans-92.283.1-177.1-178.30000108.2Y141 R144 Y146 W333 R334Y141-V331 HydrophobicContact CD2-CG1 4.25Å; Y141-V331 HydrophobicContact CE2-CB 3.88Å; Y141-V331 HydrophobicContact CE2-CG1 3.66Å; Y141-V331 HydrophobicContact CE2-CG2 4.47Å; R144-V331 WeakPolarHBondContact O-CB 3.31Å; R144-V331 PolarHBondContact O-N 3.44Å; Y146-V331 HydrophobicContact CD2-CG2 3.57Å; Y146-V331 HydrophobicContact CE2-CG1 4.17Å; Y146-V331 HydrophobicContact CE2-CG2 3.87Å; Y146-V331 HydrophobicContact CG-CG2 4.44Å; V331-W333 VanDerWaalsContact C-N 3.31Å; V331-W333 HydrophobicContact CB-CH2 4.35Å; V331-W333 HydrophobicContact CB-CZ2 4.35Å; V331-W333 HydrophobicContact CG1-CD2 3.84Å; V331-W333 HydrophobicContact CG1-CE3 4.31Å; V331-W333 HydrophobicContact CG1-CG 4.33Å; V331-W333 HydrophobicContact CG1-CH2 4.16Å; V331-W333 HydrophobicContact CG1-CZ2 3.7Å; V331-W333 HydrophobicContact CG1-CZ3 4.43Å; V331-W333 HydrophobicContact CG2-CH2 4.21Å; V331-W333 HydrophobicContact CG2-CZ2 4.26Å; V331-W333 PolarHBondContact O-N 3.04Å; V331-R334 HydrophobicContact CG1-CB 3.99Å; V331-R334 HydrophobicContact CG1-CG 3.93Å
332T96.4Very high96.6Very high53 Ų5373.1 Ų73.133%0.32533%0.334SS..THydrogen-bonded Turntrans-81.3-7.6-176.156.40000114.2S309 E330S309-T332 VanDerWaalsContact CB-OG1 3.29Å; S309-T332 WeakPolarHBondContact CB-OG1 3.46Å; S309-T332 PolarHBondContact OG-OG1 2.91Å; E330-T332 HydrophobicContact CG-CG2 3.89Å; E330-T332 PolarHBondContact O-N 2.95Å
333W95.7Very high96.5Very high33 Ų3369.4 Ų69.413%0.12532%0.316CS..THydrogen-bonded Turntrans-92.73.81796193.3000113.7I111 E115 Y146 E305 M306 V329 V331I111-W333 HydrophobicContact CG2-CH2 4.08Å; I111-W333 HydrophobicContact CG2-CZ2 3.76Å; E115-W333 VanDerWaalsContact CD-NE1 3.31Å; E115-W333 HydrophobicContact CG-CZ2 4.28Å; E115-W333 PolarHBondContact OE1-NE1 3.24Å; Y146-W333 HydrophobicContact CE2-CZ2 4.46Å; E305-W333 HydrophobicContact CB-CB 4.22Å; E305-W333 HydrophobicContact CB-CD2 3.9Å; E305-W333 HydrophobicContact CB-CG 3.68Å; E305-W333 HydrophobicContact CG-CG 4.43Å; M306-W333 HydrophobicContact CB-CZ3 4.5Å; M306-W333 HydrophobicContact CG-CE3 3.99Å; M306-W333 HydrophobicContact CG-CH2 3.85Å; M306-W333 HydrophobicContact CG-CZ3 3.45Å; M306-W333 VanDerWaalsContact CG-CZ3 3.45Å; V329-W333 HydrophobicContact CG1-CH2 4.26Å; V331-W333 VanDerWaalsContact C-N 3.31Å; V331-W333 HydrophobicContact CB-CH2 4.35Å; V331-W333 HydrophobicContact CB-CZ2 4.35Å; V331-W333 HydrophobicContact CG1-CD2 3.84Å; V331-W333 HydrophobicContact CG1-CE3 4.31Å; V331-W333 HydrophobicContact CG1-CG 4.33Å; V331-W333 HydrophobicContact CG1-CH2 4.16Å; V331-W333 HydrophobicContact CG1-CZ2 3.7Å; V331-W333 HydrophobicContact CG1-CZ3 4.43Å; V331-W333 HydrophobicContact CG2-CH2 4.21Å; V331-W333 HydrophobicContact CG2-CZ2 4.26Å; V331-W333 PolarHBondContact O-N 3.04Å
334R94.4Very high96.3Very high34 Ų3457 Ų5713%0.12827%0.274CS..  trans-131.5145.3176.8-61.4-173.663.9-175.2-6.7110.5R118 N124 N125 Y141 Y146 V331R118-R334 VanDerWaalsContact NH1-NH1 3.18Å; R118-R334 VanDerWaalsContact NH2-CZ 3.34Å; N124-R334 PolarHBondContact O-NH2 2.55Å; N125-R334 PolarHBondContact OD1-NH2 2.87Å; Y141-R334 HydrophobicContact CE1-CB 4.37Å; Y141-R334 HydrophobicContact CE2-CB 3.77Å; Y141-R334 PolarHBondContact OH-O 3.27Å; Y146-R334 PolarHBondContact OH-NH1 3.33Å; V331-R334 HydrophobicContact CG1-CB 3.99Å; V331-R334 HydrophobicContact CG1-CG 3.93Å
335D87.6Confident96.1Very high190 Ų19059.5 Ų59.5100%1.01629%0.288SS*.  trans-84.10172.3-65.2-42000112.4Y141Y141-D335 VanDerWaalsContact CE1-O 3.3Å; Y141-D335 WeakPolarHBondContact CE1-O 2.79Å; Y141-D335 PolarHBondContact OH-O 2.96Å

Retrieved 335 of 335 residues in 747.2 ms (Link to these results)

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