A0A0H3H0F3_KLEPH Loading...

Maltose-6'-phosphate glucosidase

AlphaFold DB , UniProt , Accession A0A0H3H0F3, Species KLEPH (Klebsiella pneumoniae subsp. pneumoniae (strain HS11286)), Gene n/a, Length 440 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
1M78.1Confident95.9Very high161 Ų16135.5 Ų35.579%0.79317%0.165SC*.  0145.40-165.8176-81.400108K3 P31 F331M1-K3 PolarHBondContact O-N 2.65Å; M1-P31 HydrophobicContact CB-CG 4.22Å; M1-P31 HydrophobicContact CG-CG 4.02Å; M1-P31 HydrophobicContact SD-CG 3.74Å; M1-F331 HydrophobicContact CG-CE1 3.73Å; M1-F331 HydrophobicContact CG-CZ 3.74Å; M1-F331 HydrophobicContact SD-CE1 4.05Å; M1-F331 HydrophobicContact SD-CE2 4.41Å; M1-F331 HydrophobicContact SD-CZ 3.61Å
2K92.2Very high96.1Very high126 Ų12632.7 Ų32.755%0.54815%0.152SC..  trans-59.1131173.2-178.1-176.3172.9-165.20107.9F4 P31 D79K2-F4 HydrophobicContact CB-CZ 4.26Å; K2-F4 HydrophobicContact CD-CD1 4.42Å; K2-F4 HydrophobicContact CD-CE1 3.71Å; K2-F4 HydrophobicContact CD-CZ 4.06Å; K2-F4 HydrophobicContact CG-CE1 4.17Å; K2-F4 HydrophobicContact CG-CZ 4.19Å; K2-F4 WeakPolarHBondContact O-CE2 3.44Å; K2-P31 WeakPolarHBondContact O-CG 3.3Å; K2-D79 IonicContact NZ-OD1 3.14Å; K2-D79 PolarHBondContact NZ-OD1 3.14Å
3K97.2Very high96.1Very high96 Ų9631.8 Ų31.842%0.41715%0.152SC..  trans-97.2143.4173-62.8-168170.5-159.90109.8M1 P31 R33M1-K3 PolarHBondContact O-N 2.65Å; K3-P31 CarbonylContact C-O 3.57Å; K3-P31 VanDerWaalsContact CA-O 3.29Å; K3-P31 WeakPolarHBondContact CA-O 3.42Å; K3-P31 HydrophobicContact CG-CB 4.25Å; K3-R33 HydrophobicContact CB-CB 3.77Å; K3-R33 HydrophobicContact CB-CG 4.26Å; K3-R33 HydrophobicContact CD-CB 4.26Å
4F98.4Very high96.1Very high4 Ų430 Ų302%0.01814%0.144CC..EExtended strand (participates in β ladder)trans-107.6149-173.8-58.1-82.5000112.8K2 F30 P31 L32 R33 D79 F80 A330 F331K2-F4 HydrophobicContact CB-CZ 4.26Å; K2-F4 HydrophobicContact CD-CD1 4.42Å; K2-F4 HydrophobicContact CD-CE1 3.71Å; K2-F4 HydrophobicContact CD-CZ 4.06Å; K2-F4 HydrophobicContact CG-CE1 4.17Å; K2-F4 HydrophobicContact CG-CZ 4.19Å; K2-F4 WeakPolarHBondContact O-CE2 3.44Å; F4-F30 HydrophobicContact CB-CE2 4.24Å; F4-F30 HydrophobicContact CB-CZ 3.9Å; F4-F30 HydrophobicContact CD1-CE2 4.43Å; F4-F30 AromaticContact CD2-CD2 3.82Å; F4-F30 HydrophobicContact CD2-CD2 3.82Å; F4-F30 AromaticContact CD2-CE2 3.48Å; F4-F30 HydrophobicContact CD2-CE2 3.48Å; F4-F30 VanDerWaalsContact CD2-CE2 3.48Å; F4-F30 AromaticContact CD2-CZ 3.99Å; F4-F30 HydrophobicContact CD2-CZ 3.99Å; F4-F30 HydrophobicContact CE2-CD2 4.08Å; F4-F30 AromaticContact CE2-CE2 3.93Å; F4-F30 HydrophobicContact CE2-CE2 3.93Å; F4-F30 AromaticContact CG-CE2 3.78Å; F4-F30 HydrophobicContact CG-CE2 3.78Å; F4-F30 AromaticContact CG-CZ 3.96Å; F4-F30 HydrophobicContact CG-CZ 3.96Å; F4-P31 PolarHBondContact N-O 3.35Å; F4-L32 HydrophobicContact CB-CD2 4.36Å; F4-L32 CarbonylContact O-C 3.04Å; F4-L32 WeakPolarHBondContact O-CA 3.17Å; F4-R33 WeakPolarHBondContact O-CG 3.43Å; F4-R33 PolarHBondContact O-N 2.98Å; F4-D79 WeakPolarHBondContact CA-OD2 3.44Å; F4-D79 HydrophobicContact CB-CB 4.3Å; F4-D79 HydrophobicContact CD1-CB 3.92Å; F4-F80 HydrophobicContact CB-CD2 4.5Å; F4-F80 HydrophobicContact CD1-CD2 4.34Å; F4-F80 AromaticContact CD1-CE2 3.78Å; F4-F80 HydrophobicContact CD1-CE2 3.78Å; F4-F80 HydrophobicContact CE1-CE2 4.21Å; F4-F80 HydrophobicContact CG-CE2 4.24Å; F4-A330 HydrophobicContact CE1-CB 3.8Å; F4-A330 HydrophobicContact CE2-CB 3.93Å; F4-A330 HydrophobicContact CZ-CB 3.4Å; F4-A330 VanDerWaalsContact CZ-CB 3.4Å; F4-F331 HydrophobicContact CE2-CE1 4.29Å; F4-F331 AromaticContact CE2-CE2 3.92Å; F4-F331 HydrophobicContact CE2-CE2 3.92Å; F4-F331 AromaticContact CE2-CZ 3.55Å; F4-F331 HydrophobicContact CE2-CZ 3.55Å; F4-F331 HydrophobicContact CZ-CE1 4.24Å; F4-F331 HydrophobicContact CZ-CE2 4.33Å; F4-F331 AromaticContact CZ-CZ 3.92Å; F4-F331 HydrophobicContact CZ-CZ 3.92Å
5S98.6Very high96Very high0 Ų031.1 Ų31.10%015%0.148CC..EExtended strand (participates in β ladder)trans-99.9127.2167.7174.10000109.5R33 S34 D77 D79 F80S5-R33 VanDerWaalsContact CB-CZ 3.44Å; S5-R33 VanDerWaalsContact CB-NH2 3.25Å; S5-S34 WeakPolarHBondContact CA-O 3.48Å; S5-D77 WeakPolarHBondContact CB-O 3.42Å; S5-D77 PolarHBondContact OG-O 2.94Å; S5-D79 PolarHBondContact N-OD2 3.27Å; S5-D79 PolarHBondContact O-N 2.68Å; S5-F80 PolarHBondContact O-N 3.39Å
6V98.7Very high96Very high0 Ų029.2 Ų29.20%014%0.139CC..EExtended strand (participates in β ladder)trans-121.8136.9-177.5175.50000109.4I8 F30 L32 S34 L35 K36 F80 M82V6-I8 HydrophobicContact CG1-CG1 4.43Å; V6-F30 HydrophobicContact CG2-CE1 3.89Å; V6-F30 HydrophobicContact CG2-CZ 4.25Å; V6-L32 HydrophobicContact CB-CD2 4.4Å; V6-L32 HydrophobicContact CG2-CD2 3.54Å; V6-S34 PolarHBondContact N-O 2.63Å; V6-L35 HydrophobicContact CB-CD1 4.06Å; V6-L35 HydrophobicContact CG1-CD1 4.02Å; V6-L35 CarbonylContact O-C 3.04Å; V6-L35 WeakPolarHBondContact O-CA 3.35Å; V6-K36 PolarHBondContact O-N 3.37Å; V6-F80 WeakPolarHBondContact CA-O 3.25Å; V6-F80 HydrophobicContact CG2-CB 4.31Å; V6-M82 HydrophobicContact CG1-CE 4.07Å; V6-M82 HydrophobicContact CG1-CG 3.88Å; V6-M82 HydrophobicContact CG1-SD 3.76Å; V6-M82 HydrophobicContact CG2-CE 4.33Å
7V98.8Very high96Very high0 Ų027.5 Ų27.50%013%0.131CC..EExtended strand (participates in β ladder)trans-110.3131.9162.359.90000110.1K36 A74 F75 V78 F80 V81 M82V7-K36 CarbonylContact C-O 3.57Å; V7-K36 VanDerWaalsContact CA-O 3.26Å; V7-K36 WeakPolarHBondContact CA-O 3.49Å; V7-K36 HydrophobicContact CB-CB 4.13Å; V7-K36 HydrophobicContact CG2-CB 4.07Å; V7-A74 HydrophobicContact CG2-CB 4.22Å; V7-F75 HydrophobicContact CG1-CD1 4.13Å; V7-F75 HydrophobicContact CG1-CE1 4.12Å; V7-V78 HydrophobicContact CB-CG1 4.01Å; V7-V78 HydrophobicContact CG1-CB 4.24Å; V7-V78 HydrophobicContact CG1-CG1 3.9Å; V7-V78 HydrophobicContact CG1-CG2 4.1Å; V7-F80 PolarHBondContact N-O 2.81Å; V7-V81 HydrophobicContact CG1-CB 4.11Å; V7-V81 HydrophobicContact CG1-CG1 4.15Å; V7-V81 HydrophobicContact CG1-CG2 3.66Å; V7-V81 CarbonylContact O-C 3.55Å; V7-V81 WeakPolarHBondContact O-CA 3.34Å; V7-M82 PolarHBondContact O-N 3.11Å
8I98.6Very high95.9Very high0 Ų026.4 Ų26.40%013%0.128CC..EExtended strand (participates in β ladder)trans-95.7114.2169.9-59.2-175000108.4V6 T16 I19 V20 L23 L35 K36 F37 Y38 M82 H84V6-I8 HydrophobicContact CG1-CG1 4.43Å; I8-T16 HydrophobicContact CD1-CG2 4.26Å; I8-T16 HydrophobicContact CG2-CG2 4.22Å; I8-I19 HydrophobicContact CD1-CB 4.46Å; I8-I19 HydrophobicContact CD1-CG2 3.75Å; I8-V20 HydrophobicContact CD1-CG2 4.33Å; I8-L23 HydrophobicContact CD1-CD1 4.32Å; I8-L35 HydrophobicContact CD1-CD1 4.07Å; I8-L35 HydrophobicContact CG1-CD1 4.01Å; I8-K36 PolarHBondContact N-O 3.37Å; I8-F37 HydrophobicContact CB-CD1 3.96Å; I8-F37 HydrophobicContact CB-CE1 4.32Å; I8-F37 HydrophobicContact CD1-CD1 4.32Å; I8-F37 HydrophobicContact CD1-CE1 3.81Å; I8-F37 HydrophobicContact CG1-CD1 4.34Å; I8-F37 HydrophobicContact CG1-CE1 4.3Å; I8-Y38 PolarHBondContact O-N 3.22Å; I8-M82 CarbonylContact C-O 3.59Å; I8-M82 VanDerWaalsContact CA-O 3.31Å; I8-M82 WeakPolarHBondContact CA-O 3.34Å; I8-M82 HydrophobicContact CG1-CB 4.31Å; I8-H84 WeakPolarHBondContact CG2-NE2 3.26Å
9A98.6Very high95.9Very high0 Ų025.6 Ų25.60%013%0.125CC..EExtended strand (participates in β ladder)trans-92.8124176.700000111Y38 F75 V81 M82 A83 H84 L129A9-Y38 HydrophobicContact CB-CD1 4.39Å; A9-F75 HydrophobicContact CB-CZ 4.36Å; A9-V81 HydrophobicContact CB-CG1 4.32Å; A9-M82 PolarHBondContact N-O 3.12Å; A9-A83 HydrophobicContact CB-CB 4.19Å; A9-H84 PolarHBondContact O-N 2.81Å; A9-H84 VanDerWaalsContact O-N 3.09Å; A9-L129 HydrophobicContact CB-CD1 3.64Å; A9-L129 HydrophobicContact CB-CD2 4.1Å; A9-L129 HydrophobicContact CB-CG 4.46Å
10G98.1Very high95.9Very high4 Ų424.4 Ų24.44%0.04112%0.119CC..THydrogen-bonded Turntrans92.536.7-163.700000112.3G12 S13 T16 Y38 D39 H84G10-G12 PolarHBondContact O-N 3.05Å; G10-S13 WeakPolarHBondContact O-CB 3.47Å; G10-S13 PolarHBondContact O-N 3.42Å; G10-T16 PolarHBondContact O-OG1 3.32Å; G10-Y38 PolarHBondContact N-O 3.07Å; G10-D39 WeakPolarHBondContact CA-OD2 3.42Å; G10-H84 PolarHBondContact O-CE1 3.47Å; G10-H84 PolarHBondContact O-ND1 2.71Å
11G98Very high95.9Very high0 Ų024.3 Ų24.30%012%0.119CC..THydrogen-bonded Turntrans-55.6-24.3-174.700000114.8S13 T16 Y38 D39 I48G11-S13 PolarHBondContact O-N 2.9Å; G11-T16 WeakPolarHBondContact O-CB 3.25Å; G11-T16 PolarHBondContact O-OG1 2.81Å; G11-Y38 PolarHBondContact N-O 3.23Å; G11-D39 PolarHBondContact N-OD2 2.91Å; G11-I48 WeakPolarHBondContact O-CG2 3.29Å
12G97.6Very high96.6Very high1 Ų117.4 Ų17.41%0.019%0.085CC..THydrogen-bonded Turntrans-80.37.4172.700000114.9G10 D39 R44G10-G12 PolarHBondContact O-N 3.05Å; G12-D39 WeakPolarHBondContact CA-OD2 3.39Å; G12-D39 PolarHBondContact N-OD2 3.3Å; G12-R44 PolarHBondContact O-NE 3.29Å
13S96.8Very high96.8Very high21 Ų2111.5 Ų11.515%0.1476%0.059CC..SBendtrans-67.6149.7175.9-178.20000112.2G10 G11 F15 T16 H84G10-S13 WeakPolarHBondContact O-CB 3.47Å; G10-S13 PolarHBondContact O-N 3.42Å; G11-S13 PolarHBondContact O-N 2.9Å; S13-F15 PolarHBondContact O-N 2.97Å; S13-F15 PolarHBondContact OG-N 2.71Å; S13-T16 PolarHBondContact O-N 2.74Å; S13-T16 PolarHBondContact O-OG1 3.47Å; S13-H84 WeakPolarHBondContact CB-ND1 3.32Å
14T95.3Very high96.7Very high7 Ų77.8 Ų7.84%0.0434%0.044CC..THydrogen-bonded Turntrans-66.9-14.3172.354.70000112.9Y90 R291 E292 F296T14-Y90 HydrophobicContact CG2-CE2 4.13Å; T14-Y90 PolarHBondContact OG1-OH 2.85Å; T14-R291 PolarHBondContact OG1-NE 3.09Å; T14-E292 HydrophobicContact CG2-CB 3.93Å; T14-E292 HydrophobicContact CG2-CG 3.97Å; T14-F296 HydrophobicContact CG2-CD2 4.39Å; T14-F296 HydrophobicContact CG2-CE2 4.02Å
15F94.5Very high96.5Very high47 Ų4710.4 Ų10.421%0.2067%0.066CC..THydrogen-bonded Turntrans-89.9-21.4179-69.3-79.2000113.3S13 G18 I19 D316S13-F15 PolarHBondContact O-N 2.97Å; S13-F15 PolarHBondContact OG-N 2.71Å; F15-G18 PolarHBondContact O-N 2.86Å; F15-G18 VanDerWaalsContact O-N 3.15Å; F15-I19 HydrophobicContact CB-CD1 4.31Å; F15-I19 PolarHBondContact O-N 2.69Å; F15-D316 VanDerWaalsContact CD1-OD2 3.3Å; F15-D316 WeakPolarHBondContact CD1-OD2 3.22Å
16T96.7Very high96.3Very high0 Ų011.5 Ų11.50%07%0.072CC..Hα-helixtrans-54.5-45.3-175.2-49.90000113.2I8 G10 G11 S13 G18 I19 V20 F37 I48 H84I8-T16 HydrophobicContact CD1-CG2 4.26Å; I8-T16 HydrophobicContact CG2-CG2 4.22Å; G10-T16 PolarHBondContact O-OG1 3.32Å; G11-T16 WeakPolarHBondContact O-CB 3.25Å; G11-T16 PolarHBondContact O-OG1 2.81Å; S13-T16 PolarHBondContact O-N 2.74Å; S13-T16 PolarHBondContact O-OG1 3.47Å; T16-G18 PolarHBondContact O-N 3.39Å; T16-I19 PolarHBondContact O-N 2.99Å; T16-V20 WeakPolarHBondContact O-CG2 3.44Å; T16-V20 PolarHBondContact O-N 3.46Å; T16-F37 HydrophobicContact CG2-CD1 4.29Å; T16-F37 HydrophobicContact CG2-CD2 4.23Å; T16-F37 HydrophobicContact CG2-CE1 3.77Å; T16-F37 HydrophobicContact CG2-CE2 3.68Å; T16-F37 HydrophobicContact CG2-CZ 3.43Å; T16-F37 VanDerWaalsContact CG2-CZ 3.43Å; T16-I48 HydrophobicContact CG2-CG2 4.08Å; T16-H84 PolarHBondContact OG1-CE1 2.88Å
17P96Very high96.1Very high1 Ų113.3 Ų13.31%0.0068%0.08CC..Hα-helixtrans-61.6-42.3179.3-20.932.2000113.1I19 V20 L21 I48 V295 L313P17-I19 VanDerWaalsContact C-N 3.31Å; P17-I19 PolarHBondContact O-N 3.39Å; P17-V20 PolarHBondContact O-N 3.01Å; P17-L21 WeakPolarHBondContact O-CG 3.32Å; P17-L21 PolarHBondContact O-N 2.85Å; P17-I48 HydrophobicContact CG-CD1 3.99Å; P17-I48 HydrophobicContact CG-CG2 3.95Å; P17-V295 HydrophobicContact CG-CG1 3.95Å; P17-L313 HydrophobicContact CB-CD1 3.89Å; P17-L313 HydrophobicContact CB-CD2 4.08Å; P17-L313 HydrophobicContact CB-CG 4.48Å; P17-L313 HydrophobicContact CG-CD2 4.46Å
18G94Very high95.9Very high8 Ų818.9 Ų18.98%0.08211%0.11CC..Hα-helixtrans-63.5-37.3177.300000112.3F15 T16 L21 M22 E314F15-G18 PolarHBondContact O-N 2.86Å; F15-G18 VanDerWaalsContact O-N 3.15Å; T16-G18 PolarHBondContact O-N 3.39Å; G18-L21 PolarHBondContact O-N 3.43Å; G18-M22 WeakPolarHBondContact O-CB 3.48Å; G18-M22 PolarHBondContact O-N 3.15Å; G18-E314 WeakPolarHBondContact CA-O 3.44Å
19I95Very high95.7Very high11 Ų1122.6 Ų22.66%0.05612%0.124CC..Hα-helixtrans-65-43.1173.1-66.7163.9000111.3I8 F15 T16 P17 M22 L23 H84 A319I8-I19 HydrophobicContact CD1-CB 4.46Å; I8-I19 HydrophobicContact CD1-CG2 3.75Å; F15-I19 HydrophobicContact CB-CD1 4.31Å; F15-I19 PolarHBondContact O-N 2.69Å; T16-I19 PolarHBondContact O-N 2.99Å; P17-I19 VanDerWaalsContact C-N 3.31Å; P17-I19 PolarHBondContact O-N 3.39Å; I19-M22 PolarHBondContact O-N 3.29Å; I19-L23 HydrophobicContact CG2-CD1 3.94Å; I19-L23 HydrophobicContact CG2-CG 4.38Å; I19-L23 WeakPolarHBondContact O-CG 3.48Å; I19-L23 PolarHBondContact O-N 3.32Å; I19-H84 WeakPolarHBondContact CD1-CD2 3.31Å; I19-H84 VanDerWaalsContact CD1-NE2 3.3Å; I19-H84 WeakPolarHBondContact CD1-NE2 3.14Å; I19-A319 HydrophobicContact CB-CB 4.25Å; I19-A319 HydrophobicContact CG1-CB 3.75Å
20V96.5Very high95.5Very high1 Ų122.7 Ų22.71%0.00613%0.125CC..Hα-helixtrans-61.2-46175.8172.70000111.5I8 T16 P17 M22 L23 L24 L35 F37 L56I8-V20 HydrophobicContact CD1-CG2 4.33Å; T16-V20 WeakPolarHBondContact O-CG2 3.44Å; T16-V20 PolarHBondContact O-N 3.46Å; P17-V20 PolarHBondContact O-N 3.01Å; V20-M22 VanDerWaalsContact C-N 3.28Å; V20-M22 PolarHBondContact O-N 3.42Å; V20-L23 PolarHBondContact O-N 2.95Å; V20-L24 HydrophobicContact CG1-CD1 4.01Å; V20-L24 HydrophobicContact CG1-CG 4.45Å; V20-L24 WeakPolarHBondContact O-CG 3.46Å; V20-L24 PolarHBondContact O-N 3.21Å; V20-L35 HydrophobicContact CG1-CD2 4.39Å; V20-L35 HydrophobicContact CG2-CD2 3.9Å; V20-F37 HydrophobicContact CG2-CE1 3.86Å; V20-F37 HydrophobicContact CG2-CZ 3.52Å; V20-L56 HydrophobicContact CG1-CD2 4.28Å; V20-L56 HydrophobicContact CG1-CG 4.33Å
21L95.5Very high95.5Very high22 Ų2223.1 Ų23.112%0.11513%0.127CC..Hα-helixtrans-60.8-39.4177.4-67.4172.9000111.6P17 G18 L24 A25 I55 L313 I315P17-L21 WeakPolarHBondContact O-CG 3.32Å; P17-L21 PolarHBondContact O-N 2.85Å; G18-L21 PolarHBondContact O-N 3.43Å; L21-L24 PolarHBondContact O-N 2.94Å; L21-A25 WeakPolarHBondContact O-CB 3.39Å; L21-A25 PolarHBondContact O-N 3.41Å; L21-I55 HydrophobicContact CD2-CD1 4.43Å; L21-I55 HydrophobicContact CD2-CG2 3.9Å; L21-L313 HydrophobicContact CD1-CB 3.84Å; L21-L313 WeakPolarHBondContact CD1-O 3.17Å; L21-I315 HydrophobicContact CB-CG1 3.92Å
22M93.8Very high95.5Very high16 Ų1623.2 Ų23.28%0.07913%0.127CC..Hα-helixtrans-66-42.8175.2-175.462.875.200112.9G18 I19 V20 L24 A25 N26 I315 D316 A319 V323G18-M22 WeakPolarHBondContact O-CB 3.48Å; G18-M22 PolarHBondContact O-N 3.15Å; I19-M22 PolarHBondContact O-N 3.29Å; V20-M22 VanDerWaalsContact C-N 3.28Å; V20-M22 PolarHBondContact O-N 3.42Å; M22-L24 VanDerWaalsContact C-N 3.27Å; M22-L24 PolarHBondContact O-N 2.72Å; M22-A25 PolarHBondContact O-N 3.13Å; M22-N26 PolarHBondContact O-N 2.99Å; M22-N26 VanDerWaalsContact O-N 3.16Å; M22-N26 PolarHBondContact O-ND2 2.63Å; M22-N26 PolarHBondContact SD-ND2 3.26Å; M22-I315 HydrophobicContact CB-CG2 4.29Å; M22-I315 HydrophobicContact CE-CG2 3.15Å; M22-I315 HydrophobicContact SD-CG2 3.99Å; M22-D316 WeakPolarHBondContact CE-O 3.48Å; M22-A319 HydrophobicContact CB-CB 3.53Å; M22-A319 HydrophobicContact CG-CB 3.69Å; M22-A319 WeakPolarHBondContact CG-O 3.49Å; M22-V323 HydrophobicContact CG-CG2 4.02Å
23L95.8Very high95.5Very high2 Ų227 Ų271%0.0114%0.141CC..Hα-helixtrans-62.2-36.3175.7-74167.1000111.8I8 I19 V20 Q27 F30 L32 L35 M82 V323I8-L23 HydrophobicContact CD1-CD1 4.32Å; I19-L23 HydrophobicContact CG2-CD1 3.94Å; I19-L23 HydrophobicContact CG2-CG 4.38Å; I19-L23 WeakPolarHBondContact O-CG 3.48Å; I19-L23 PolarHBondContact O-N 3.32Å; V20-L23 PolarHBondContact O-N 2.95Å; L23-Q27 PolarHBondContact O-N 2.88Å; L23-Q27 PolarHBondContact O-NE2 2.96Å; L23-F30 HydrophobicContact CD2-CD1 4.1Å; L23-F30 HydrophobicContact CD2-CE1 4.35Å; L23-L32 HydrophobicContact CB-CD1 4.15Å; L23-L32 HydrophobicContact CD1-CD1 4.38Å; L23-L32 HydrophobicContact CD2-CD1 4.42Å; L23-L35 HydrophobicContact CD1-CD1 4.26Å; L23-M82 HydrophobicContact CD1-SD 4.2Å; L23-M82 HydrophobicContact CD2-CE 3.95Å; L23-M82 HydrophobicContact CD2-SD 4.27Å; L23-V323 HydrophobicContact CD2-CG2 3.85Å; L23-V323 HydrophobicContact CG-CG2 4.48Å
24L95.5Very high95.6Very high19 Ų1926.1 Ų26.110%0.09914%0.135CC..Hα-helixtrans-69.1-42.3174.2-74174000112V20 L21 M22 N26 Q27 I55 L56 Q59 A60 I63V20-L24 HydrophobicContact CG1-CD1 4.01Å; V20-L24 HydrophobicContact CG1-CG 4.45Å; V20-L24 WeakPolarHBondContact O-CG 3.46Å; V20-L24 PolarHBondContact O-N 3.21Å; L21-L24 PolarHBondContact O-N 2.94Å; M22-L24 VanDerWaalsContact C-N 3.27Å; M22-L24 PolarHBondContact O-N 2.72Å; L24-N26 PolarHBondContact O-N 3.04Å; L24-Q27 WeakPolarHBondContact O-CG 3.38Å; L24-Q27 PolarHBondContact O-N 3.09Å; L24-I55 HydrophobicContact CD1-CG2 3.73Å; L24-L56 HydrophobicContact CD1-CD2 4.16Å; L24-L56 HydrophobicContact CD2-CD2 3.96Å; L24-L56 HydrophobicContact CG-CD2 4.31Å; L24-Q59 HydrophobicContact CD1-CB 4.21Å; L24-A60 HydrophobicContact CD2-CB 3.53Å; L24-I63 HydrophobicContact CD2-CD1 4.02Å
25A94.6Very high95.8Very high59 Ų5925.8 Ų25.849%0.48813%0.133SC..Hα-helixtrans-65.7-17.3177.900000114L21 M22 I315L21-A25 WeakPolarHBondContact O-CB 3.39Å; L21-A25 PolarHBondContact O-N 3.41Å; M22-A25 PolarHBondContact O-N 3.13Å; A25-I315 HydrophobicContact CB-CD1 4.39Å
26N94.5Very high96Very high22 Ų2224.6 Ų24.612%0.11813%0.128CC..THydrogen-bonded Turntrans-118.123.6-177.9-69.7-96.7000113.4M22 L24 D28 R29 F30 V323M22-N26 PolarHBondContact O-N 2.99Å; M22-N26 VanDerWaalsContact O-N 3.16Å; M22-N26 PolarHBondContact O-ND2 2.63Å; M22-N26 PolarHBondContact SD-ND2 3.26Å; L24-N26 PolarHBondContact O-N 3.04Å; N26-D28 WeakPolarHBondContact CA-OD1 3.37Å; N26-D28 PolarHBondContact O-N 2.94Å; N26-D28 VanDerWaalsContact O-N 3.16Å; N26-R29 PolarHBondContact O-N 2.8Å; N26-R29 PolarHBondContact OD1-NH1 3.09Å; N26-R29 VanDerWaalsContact OD1-NH1 3.08Å; N26-F30 PolarHBondContact O-N 2.92Å; N26-V323 HydrophobicContact CB-CG1 3.67Å
27Q94.3Very high96.1Very high38 Ų3824.6 Ų24.618%0.17813%0.128CC..THydrogen-bonded Turntrans-59.4-23.7178.2-75.3-63.9-50.100113.8L23 L24 P31L23-Q27 PolarHBondContact O-N 2.88Å; L23-Q27 PolarHBondContact O-NE2 2.96Å; L24-Q27 WeakPolarHBondContact O-CG 3.38Å; L24-Q27 PolarHBondContact O-N 3.09Å; Q27-P31 VanDerWaalsContact O-CA 3.31Å; Q27-P31 WeakPolarHBondContact O-CA 3.45Å; Q27-P31 WeakPolarHBondContact O-CB 3.46Å
28D94.3Very high96.2Very high118 Ų11825.3 Ų25.363%0.63113%0.13SC*.THydrogen-bonded Turntrans-69.6-33.417565-47.6000112.6N26N26-D28 WeakPolarHBondContact CA-OD1 3.37Å; N26-D28 PolarHBondContact O-N 2.94Å; N26-D28 VanDerWaalsContact O-N 3.16Å
29R93.6Very high96.4Very high77 Ų7725.8 Ų25.829%0.29113%0.131SC..THydrogen-bonded Turntrans-92.8-37179.5-61.8172.763.7-146.5-2.4112.3N26 D324 F331N26-R29 PolarHBondContact O-N 2.8Å; N26-R29 PolarHBondContact OD1-NH1 3.09Å; N26-R29 VanDerWaalsContact OD1-NH1 3.08Å; R29-D324 IonicContact CZ-OD1 3.81Å; R29-D324 VanDerWaalsContact CZ-OD1 3.27Å; R29-D324 IonicContact NH1-OD1 2.67Å; R29-D324 PolarHBondContact NH1-OD1 2.89Å; R29-D324 IonicContact NH2-OD1 2.81Å; R29-D324 PolarHBondContact NH2-OD1 2.84Å; R29-F331 WeakPolarHBondContact O-CE2 3.23Å
30F96Very high96.5Very high2 Ų231.2 Ų31.21%0.00916%0.16CC..SBendtrans-137.476.6-175.5-168.8-111000110.9F4 V6 L23 N26 L32 F80 M82 V323 A326 A330F4-F30 HydrophobicContact CB-CE2 4.24Å; F4-F30 HydrophobicContact CB-CZ 3.9Å; F4-F30 HydrophobicContact CD1-CE2 4.43Å; F4-F30 AromaticContact CD2-CD2 3.82Å; F4-F30 HydrophobicContact CD2-CD2 3.82Å; F4-F30 AromaticContact CD2-CE2 3.48Å; F4-F30 HydrophobicContact CD2-CE2 3.48Å; F4-F30 VanDerWaalsContact CD2-CE2 3.48Å; F4-F30 AromaticContact CD2-CZ 3.99Å; F4-F30 HydrophobicContact CD2-CZ 3.99Å; F4-F30 HydrophobicContact CE2-CD2 4.08Å; F4-F30 AromaticContact CE2-CE2 3.93Å; F4-F30 HydrophobicContact CE2-CE2 3.93Å; F4-F30 AromaticContact CG-CE2 3.78Å; F4-F30 HydrophobicContact CG-CE2 3.78Å; F4-F30 AromaticContact CG-CZ 3.96Å; F4-F30 HydrophobicContact CG-CZ 3.96Å; V6-F30 HydrophobicContact CG2-CE1 3.89Å; V6-F30 HydrophobicContact CG2-CZ 4.25Å; L23-F30 HydrophobicContact CD2-CD1 4.1Å; L23-F30 HydrophobicContact CD2-CE1 4.35Å; N26-F30 PolarHBondContact O-N 2.92Å; F30-L32 HydrophobicContact CD1-CD2 3.88Å; F30-L32 HydrophobicContact CE1-CD2 3.6Å; F30-L32 HydrophobicContact CZ-CD2 4.46Å; F30-F80 HydrophobicContact CE2-CD2 4.15Å; F30-F80 AromaticContact CE2-CE2 3.72Å; F30-F80 HydrophobicContact CE2-CE2 3.72Å; F30-F80 HydrophobicContact CE2-CZ 4.3Å; F30-F80 AromaticContact CZ-CD2 3.63Å; F30-F80 HydrophobicContact CZ-CD2 3.63Å; F30-F80 AromaticContact CZ-CE2 3.71Å; F30-F80 HydrophobicContact CZ-CE2 3.71Å; F30-F80 HydrophobicContact CZ-CG 4.37Å; F30-M82 HydrophobicContact CE1-CE 4.2Å; F30-V323 HydrophobicContact CB-CG1 4.03Å; F30-A326 HydrophobicContact CD2-CB 4.23Å; F30-A326 HydrophobicContact CE1-CB 4.16Å; F30-A326 HydrophobicContact CE2-CB 3.76Å; F30-A326 HydrophobicContact CZ-CB 3.72Å; F30-A330 HydrophobicContact CD2-CB 4.45Å; F30-A330 HydrophobicContact CE2-CB 4.12Å
31P97Very high96.6Very high14 Ų1433.1 Ų33.19%0.09117%0.171CC..  trans-72.2133.3-174.528.5-35.5000111.7M1 K2 K3 F4 Q27M1-P31 HydrophobicContact CB-CG 4.22Å; M1-P31 HydrophobicContact CG-CG 4.02Å; M1-P31 HydrophobicContact SD-CG 3.74Å; K2-P31 WeakPolarHBondContact O-CG 3.3Å; K3-P31 CarbonylContact C-O 3.57Å; K3-P31 VanDerWaalsContact CA-O 3.29Å; K3-P31 WeakPolarHBondContact CA-O 3.42Å; K3-P31 HydrophobicContact CG-CB 4.25Å; F4-P31 PolarHBondContact N-O 3.35Å; Q27-P31 VanDerWaalsContact O-CA 3.31Å; Q27-P31 WeakPolarHBondContact O-CA 3.45Å; Q27-P31 WeakPolarHBondContact O-CB 3.46Å
32L98.2Very high96.7Very high1 Ų133.3 Ų33.31%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-99.5146.3179.4-60.6-179.2000111.6F4 V6 L23 F30 I63F4-L32 HydrophobicContact CB-CD2 4.36Å; F4-L32 CarbonylContact O-C 3.04Å; F4-L32 WeakPolarHBondContact O-CA 3.17Å; V6-L32 HydrophobicContact CB-CD2 4.4Å; V6-L32 HydrophobicContact CG2-CD2 3.54Å; L23-L32 HydrophobicContact CB-CD1 4.15Å; L23-L32 HydrophobicContact CD1-CD1 4.38Å; L23-L32 HydrophobicContact CD2-CD1 4.42Å; F30-L32 HydrophobicContact CD1-CD2 3.88Å; F30-L32 HydrophobicContact CE1-CD2 3.6Å; F30-L32 HydrophobicContact CZ-CD2 4.46Å; L32-I63 HydrophobicContact CB-CD1 3.98Å; L32-I63 HydrophobicContact CB-CG1 4.24Å; L32-I63 HydrophobicContact CB-CG2 4.35Å; L32-I63 HydrophobicContact CD1-CD1 4.5Å
33R98.3Very high96.9Very high81 Ų8136 Ų3631%0.30620%0.202SC..EExtended strand (participates in β ladder)trans-104.1-30.416360.7173.5-179.398.9-4.6112K3 F4 S5 E64 D77K3-R33 HydrophobicContact CB-CB 3.77Å; K3-R33 HydrophobicContact CB-CG 4.26Å; K3-R33 HydrophobicContact CD-CB 4.26Å; F4-R33 WeakPolarHBondContact O-CG 3.43Å; F4-R33 PolarHBondContact O-N 2.98Å; S5-R33 VanDerWaalsContact CB-CZ 3.44Å; S5-R33 VanDerWaalsContact CB-NH2 3.25Å; R33-E64 PolarHBondContact O-N 2.78Å; R33-D77 IonicContact CZ-OD1 3.93Å; R33-D77 IonicContact CZ-OD2 3.58Å; R33-D77 VanDerWaalsContact CZ-OD2 3.28Å; R33-D77 IonicContact NH1-OD1 3.2Å; R33-D77 IonicContact NH1-OD2 2.68Å; R33-D77 PolarHBondContact NH1-OD2 2.77Å; R33-D77 IonicContact NH2-OD1 3.04Å; R33-D77 PolarHBondContact NH2-OD1 2.94Å; R33-D77 IonicContact NH2-OD2 3.35Å; R33-D77 PolarHBondContact NH2-OD2 3.5Å
34S98.5Very high97Very high2 Ų238.3 Ų38.31%0.01421%0.211CC..EExtended strand (participates in β ladder)trans-148.7144.7-178.4-1790000110.7S5 V6 E64S5-S34 WeakPolarHBondContact CA-O 3.48Å; V6-S34 PolarHBondContact N-O 2.63Å; S34-E64 CarbonylContact C-O 3.35Å; S34-E64 WeakPolarHBondContact CA-O 3.27Å; S34-E64 PolarHBondContact OG-O 3.17Å; S34-E64 VanDerWaalsContact OG-O 3.09Å
35L98.8Very high97.1Very high1 Ų137.4 Ų37.41%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-132.1123.4173.1-178.662.6000109V6 I8 V20 L23 F37 L56 I63 E64 F65 S66V6-L35 HydrophobicContact CB-CD1 4.06Å; V6-L35 HydrophobicContact CG1-CD1 4.02Å; V6-L35 CarbonylContact O-C 3.04Å; V6-L35 WeakPolarHBondContact O-CA 3.35Å; I8-L35 HydrophobicContact CD1-CD1 4.07Å; I8-L35 HydrophobicContact CG1-CD1 4.01Å; V20-L35 HydrophobicContact CG1-CD2 4.39Å; V20-L35 HydrophobicContact CG2-CD2 3.9Å; L23-L35 HydrophobicContact CD1-CD1 4.26Å; L35-F37 HydrophobicContact CD1-CE1 4.44Å; L35-F37 HydrophobicContact CD2-CE1 4.06Å; L35-F37 HydrophobicContact CG-CE1 4.06Å; L35-L56 HydrophobicContact CD2-CD1 4.2Å; L35-L56 HydrophobicContact CD2-CD2 4.42Å; L35-I63 HydrophobicContact CB-CG2 4.07Å; L35-E64 PolarHBondContact N-O 2.85Å; L35-F65 HydrophobicContact CB-CD2 4.22Å; L35-F65 HydrophobicContact CD2-CD2 4.35Å; L35-F65 HydrophobicContact CD2-CE2 4.47Å; L35-F65 HydrophobicContact CG-CD2 4.23Å; L35-F65 HydrophobicContact CG-CE2 4.43Å; L35-F65 WeakPolarHBondContact O-CA 3.17Å; L35-F65 VanDerWaalsContact O-CD2 3.27Å; L35-F65 WeakPolarHBondContact O-CD2 3.19Å; L35-S66 PolarHBondContact O-N 3.31Å; L35-S66 VanDerWaalsContact O-N 3.16Å
36K98.8Very high97.3Very high22 Ų2239.4 Ų39.410%0.09621%0.205CC..EExtended strand (participates in β ladder)trans-118.8142.8-179.5-55.3-178.8-178.9-178.60110.3V6 V7 I8 S66 A73 A74 T76 V78V6-K36 PolarHBondContact O-N 3.37Å; V7-K36 CarbonylContact C-O 3.57Å; V7-K36 VanDerWaalsContact CA-O 3.26Å; V7-K36 WeakPolarHBondContact CA-O 3.49Å; V7-K36 HydrophobicContact CB-CB 4.13Å; V7-K36 HydrophobicContact CG2-CB 4.07Å; I8-K36 PolarHBondContact N-O 3.37Å; K36-S66 CarbonylContact C-O 3.59Å; K36-S66 VanDerWaalsContact CA-O 3.26Å; K36-S66 WeakPolarHBondContact CA-O 3.38Å; K36-A73 PolarHBondContact NZ-O 3.01Å; K36-A74 WeakPolarHBondContact CD-O 3.34Å; K36-T76 PolarHBondContact NZ-O 3.37Å; K36-V78 HydrophobicContact CD-CG1 4.43Å
37F98.8Very high97.5Very high0 Ų040.1 Ų40.10%021%0.211CC..EExtended strand (participates in β ladder)trans-107.6138.2168.1-63.2-10.1000111.2I8 T16 V20 L35 Q45 I48 A49 C52 F65 S66 Y67 T68I8-F37 HydrophobicContact CB-CD1 3.96Å; I8-F37 HydrophobicContact CB-CE1 4.32Å; I8-F37 HydrophobicContact CD1-CD1 4.32Å; I8-F37 HydrophobicContact CD1-CE1 3.81Å; I8-F37 HydrophobicContact CG1-CD1 4.34Å; I8-F37 HydrophobicContact CG1-CE1 4.3Å; T16-F37 HydrophobicContact CG2-CD1 4.29Å; T16-F37 HydrophobicContact CG2-CD2 4.23Å; T16-F37 HydrophobicContact CG2-CE1 3.77Å; T16-F37 HydrophobicContact CG2-CE2 3.68Å; T16-F37 HydrophobicContact CG2-CZ 3.43Å; T16-F37 VanDerWaalsContact CG2-CZ 3.43Å; V20-F37 HydrophobicContact CG2-CE1 3.86Å; V20-F37 HydrophobicContact CG2-CZ 3.52Å; L35-F37 HydrophobicContact CD1-CE1 4.44Å; L35-F37 HydrophobicContact CD2-CE1 4.06Å; L35-F37 HydrophobicContact CG-CE1 4.06Å; F37-Q45 HydrophobicContact CB-CG 4.41Å; F37-I48 HydrophobicContact CE2-CG2 4.26Å; F37-A49 HydrophobicContact CD2-CB 3.9Å; F37-A49 HydrophobicContact CE2-CB 4.3Å; F37-C52 HydrophobicContact CE2-CB 3.95Å; F37-C52 HydrophobicContact CZ-CB 3.97Å; F37-F65 AromaticContact CD1-CE2 3.95Å; F37-F65 HydrophobicContact CD1-CE2 3.95Å; F37-F65 HydrophobicContact CD2-CE2 4.03Å; F37-F65 AromaticContact CD2-CZ 3.76Å; F37-F65 HydrophobicContact CD2-CZ 3.76Å; F37-F65 AromaticContact CE1-CE2 3.7Å; F37-F65 HydrophobicContact CE1-CE2 3.7Å; F37-F65 HydrophobicContact CE1-CZ 4.34Å; F37-F65 AromaticContact CE2-CE2 3.82Å; F37-F65 HydrophobicContact CE2-CE2 3.82Å; F37-F65 AromaticContact CE2-CZ 3.59Å; F37-F65 HydrophobicContact CE2-CZ 3.59Å; F37-F65 HydrophobicContact CG-CE2 4.09Å; F37-F65 HydrophobicContact CG-CZ 4.22Å; F37-F65 AromaticContact CZ-CE2 3.63Å; F37-F65 HydrophobicContact CZ-CE2 3.63Å; F37-F65 AromaticContact CZ-CZ 3.89Å; F37-F65 HydrophobicContact CZ-CZ 3.89Å; F37-S66 PolarHBondContact N-O 2.97Å; F37-Y67 WeakPolarHBondContact O-CA 3.27Å; F37-T68 PolarHBondContact O-N 3.45Å
38Y98.9Very high97.6Very high15 Ų1538.3 Ų38.36%0.05920%0.202CC..EExtended strand (participates in β ladder)trans-124.2132.1171.3175.8-101.7000110.5I8 A9 G10 G11 Q45 T68 P71 A74 F75 L129 Y132I8-Y38 PolarHBondContact O-N 3.22Å; A9-Y38 HydrophobicContact CB-CD1 4.39Å; G10-Y38 PolarHBondContact N-O 3.07Å; G11-Y38 PolarHBondContact N-O 3.23Å; Y38-Q45 PolarHBondContact O-OE1 2.92Å; Y38-T68 WeakPolarHBondContact CA-O 3.26Å; Y38-P71 HydrophobicContact CE2-CB 4.39Å; Y38-P71 HydrophobicContact CE2-CG 4Å; Y38-A74 HydrophobicContact CD2-CB 3.69Å; Y38-A74 HydrophobicContact CG-CB 4.01Å; Y38-F75 AromaticContact CD1-CE2 3.78Å; Y38-F75 HydrophobicContact CD1-CE2 3.78Å; Y38-F75 HydrophobicContact CD1-CZ 4.14Å; Y38-F75 HydrophobicContact CD2-CE2 4.13Å; Y38-F75 HydrophobicContact CE1-CE2 4.15Å; Y38-F75 HydrophobicContact CE2-CE2 4.47Å; Y38-F75 AromaticContact CG-CE2 3.76Å; Y38-F75 HydrophobicContact CG-CE2 3.76Å; Y38-F75 HydrophobicContact CG-CZ 4.41Å; Y38-L129 HydrophobicContact CD1-CD2 3.89Å; Y38-L129 HydrophobicContact CE1-CD2 3.59Å; Y38-Y132 WeakPolarHBondContact OH-CE2 3.44Å
39D98.7Very high97.9Very high18 Ų1832.7 Ų32.710%0.09617%0.172CC..  trans-153.9151.8171.6-154.3-63.7000108.6G10 G11 G12 D41 Q45 T68 T69G10-D39 WeakPolarHBondContact CA-OD2 3.42Å; G11-D39 PolarHBondContact N-OD2 2.91Å; G12-D39 WeakPolarHBondContact CA-OD2 3.39Å; G12-D39 PolarHBondContact N-OD2 3.3Å; D39-D41 PolarHBondContact OD1-N 3.39Å; D39-Q45 HydrophobicContact CB-CB 3.83Å; D39-Q45 HydrophobicContact CB-CG 4.22Å; D39-Q45 VanDerWaalsContact CB-OE1 3.29Å; D39-Q45 VanDerWaalsContact N-OE1 3.08Å; D39-T68 PolarHBondContact N-O 3.25Å; D39-T69 WeakPolarHBondContact O-CA 3.26Å; D39-T69 WeakPolarHBondContact O-CB 3.27Å; D39-T69 WeakPolarHBondContact O-CG2 3.34Å
40N97.2Very high98.1Very high126 Ų12631.4 Ų31.467%0.67417%0.169SC*.SBendtrans-87.6-12.4174.659.89.6000112.4
41D97.6Very high98.2Very high41 Ų4131.3 Ų31.322%0.21917%0.169CC..  trans-100.487.9167.9-175.9-9.9000110.8D39 A43 R44 Q45 K89D39-D41 PolarHBondContact OD1-N 3.39Å; D41-A43 VanDerWaalsContact C-N 3.34Å; D41-A43 PolarHBondContact O-N 2.61Å; D41-A43 PolarHBondContact OD1-N 3.03Å; D41-R44 HydrophobicContact CB-CB 4.06Å; D41-R44 PolarHBondContact O-N 2.99Å; D41-R44 WeakPolarHBondContact OD1-CB 3.3Å; D41-R44 PolarHBondContact OD1-N 3.39Å; D41-R44 VanDerWaalsContact OD2-CB 3.23Å; D41-R44 WeakPolarHBondContact OD2-CB 3.07Å; D41-Q45 PolarHBondContact O-N 2.79Å; D41-K89 IonicContact OD2-NZ 3.6Å; D41-K89 PolarHBondContact OD2-NZ 2.92Å
42G97.6Very high98.3Very high26 Ų2630.7 Ų30.727%0.26817%0.165SC..Hα-helixtrans-58-41.5-178.300000113.8Q45 E46G42-Q45 PolarHBondContact O-N 3.28Å; G42-E46 WeakPolarHBondContact O-CB 3.39Å; G42-E46 PolarHBondContact O-N 3.49Å
43A97.3Very high98.3Very high71 Ų7135.4 Ų35.459%0.58719%0.185SC*.Hα-helixtrans-67.2-40.1-177.600000111.9D41D41-A43 VanDerWaalsContact C-N 3.34Å; D41-A43 PolarHBondContact O-N 2.61Å; D41-A43 PolarHBondContact OD1-N 3.03Å
44R97.6Very high98.3Very high51 Ų5132.9 Ų32.919%0.19218%0.179CC..Hα-helixtrans-67.3-44.2174.9-175.6-179.417794.9-0.3111.7G12 D41 E292 F296G12-R44 PolarHBondContact O-NE 3.29Å; D41-R44 HydrophobicContact CB-CB 4.06Å; D41-R44 PolarHBondContact O-N 2.99Å; D41-R44 WeakPolarHBondContact OD1-CB 3.3Å; D41-R44 PolarHBondContact OD1-N 3.39Å; D41-R44 VanDerWaalsContact OD2-CB 3.23Å; D41-R44 WeakPolarHBondContact OD2-CB 3.07Å; R44-E292 IonicContact CZ-OE1 3.8Å; R44-E292 IonicContact NH1-OE1 2.85Å; R44-E292 PolarHBondContact NH1-OE1 3.2Å; R44-E292 IonicContact NH2-OE1 3.07Å; R44-E292 PolarHBondContact NH2-OE1 3.28Å; R44-F296 HydrophobicContact CG-CE1 3.98Å; R44-F296 HydrophobicContact CG-CZ 3.6Å
45Q98.6Very high98.2Very high1 Ų133 Ų331%0.00518%0.179CC..Hα-helixtrans-62-41.6177.6177.5172.8-101.900112.2F37 Y38 D39 D41 G42 T47 I48 A49 Y67 T68F37-Q45 HydrophobicContact CB-CG 4.41Å; Y38-Q45 PolarHBondContact O-OE1 2.92Å; D39-Q45 HydrophobicContact CB-CB 3.83Å; D39-Q45 HydrophobicContact CB-CG 4.22Å; D39-Q45 VanDerWaalsContact CB-OE1 3.29Å; D39-Q45 VanDerWaalsContact N-OE1 3.08Å; D41-Q45 PolarHBondContact O-N 2.79Å; G42-Q45 PolarHBondContact O-N 3.28Å; Q45-T47 VanDerWaalsContact C-N 3.28Å; Q45-T47 PolarHBondContact O-N 3.48Å; Q45-I48 PolarHBondContact O-N 2.96Å; Q45-A49 HydrophobicContact CG-CB 4.39Å; Q45-A49 WeakPolarHBondContact O-CB 3.17Å; Q45-A49 PolarHBondContact O-N 2.96Å; Q45-Y67 HydrophobicContact CG-CD2 4.44Å; Q45-T68 PolarHBondContact NE2-O 2.85Å
46E98.5Very high98.2Very high101 Ų10133.1 Ų33.147%0.47218%0.18SC..Hα-helixtrans-54.8-41.7-176.2-177.2173-156.500112.5G42 I48 A49 E50 Y67G42-E46 WeakPolarHBondContact O-CB 3.39Å; G42-E46 PolarHBondContact O-N 3.49Å; E46-I48 VanDerWaalsContact C-N 3.33Å; E46-I48 PolarHBondContact O-N 2.9Å; E46-A49 PolarHBondContact O-N 2.85Å; E46-E50 HydrophobicContact CG-CG 4.38Å; E46-E50 PolarHBondContact O-N 2.8Å; E46-Y67 HydrophobicContact CB-CE2 4.31Å; E46-Y67 HydrophobicContact CG-CE2 4.31Å
47T98.2Very high98.1Very high37 Ų3739.9 Ų39.923%0.22721%0.209CC..Hα-helixtrans-62.7-39.9177.9-58.30000112.2Q45 F296 C299 R300 I303Q45-T47 VanDerWaalsContact C-N 3.28Å; Q45-T47 PolarHBondContact O-N 3.48Å; T47-F296 HydrophobicContact CG2-CD1 3.79Å; T47-F296 HydrophobicContact CG2-CE1 4.3Å; T47-C299 HydrophobicContact CG2-CB 4.14Å; T47-R300 HydrophobicContact CG2-CG 4.05Å; T47-I303 HydrophobicContact CG2-CD1 4.48Å; T47-I303 WeakPolarHBondContact O-CD1 3.43Å
48I98.3Very high98.1Very high0 Ų044.2 Ų44.20%023%0.23CC..Hα-helixtrans-73.6-43177.8-63.6-62.4000110.4G11 T16 P17 F37 Q45 E46 A51 C52 V295 F296G11-I48 WeakPolarHBondContact O-CG2 3.29Å; T16-I48 HydrophobicContact CG2-CG2 4.08Å; P17-I48 HydrophobicContact CG-CD1 3.99Å; P17-I48 HydrophobicContact CG-CG2 3.95Å; F37-I48 HydrophobicContact CE2-CG2 4.26Å; Q45-I48 PolarHBondContact O-N 2.96Å; E46-I48 VanDerWaalsContact C-N 3.33Å; E46-I48 PolarHBondContact O-N 2.9Å; I48-A51 PolarHBondContact O-N 2.84Å; I48-C52 PolarHBondContact O-N 3.23Å; I48-C52 PolarHBondContact O-SG 2.89Å; I48-V295 HydrophobicContact CD1-CG1 3.97Å; I48-F296 HydrophobicContact CD1-CE1 4.21Å; I48-F296 HydrophobicContact CD1-CE2 4.26Å; I48-F296 HydrophobicContact CD1-CZ 4.06Å; I48-F296 HydrophobicContact CG1-CE1 4.13Å; I48-F296 HydrophobicContact CG1-CZ 3.99Å
49A98.7Very high97.9Very high0 Ų048.5 Ų48.50%025%0.25CS..Hα-helixtrans-67.8-44.2-174.200000112.6F37 Q45 E46 A51 C52 K53 F65 Y67F37-A49 HydrophobicContact CD2-CB 3.9Å; F37-A49 HydrophobicContact CE2-CB 4.3Å; Q45-A49 HydrophobicContact CG-CB 4.39Å; Q45-A49 WeakPolarHBondContact O-CB 3.17Å; Q45-A49 PolarHBondContact O-N 2.96Å; E46-A49 PolarHBondContact O-N 2.85Å; A49-A51 VanDerWaalsContact C-N 3.3Å; A49-A51 PolarHBondContact O-N 2.99Å; A49-C52 PolarHBondContact O-N 2.91Å; A49-K53 WeakPolarHBondContact O-CB 3.15Å; A49-K53 PolarHBondContact O-N 2.81Å; A49-F65 HydrophobicContact CB-CE1 4.47Å; A49-F65 HydrophobicContact CB-CZ 4.24Å; A49-F65 WeakPolarHBondContact O-CE1 3.31Å; A49-Y67 HydrophobicContact CB-CD1 3.39Å; A49-Y67 HydrophobicContact CB-CD2 3.81Å; A49-Y67 HydrophobicContact CB-CE1 3.85Å; A49-Y67 HydrophobicContact CB-CE2 4.24Å; A49-Y67 HydrophobicContact CB-CG 3.36Å
50E98.6Very high97.9Very high50 Ų5047.9 Ų47.923%0.23425%0.247CC..Hα-helixtrans-67-31.8177.4-71.2-61.9136.400112E46 K53 V54 Y67 I303E46-E50 HydrophobicContact CG-CG 4.38Å; E46-E50 PolarHBondContact O-N 2.8Å; E50-K53 IonicContact OE1-NZ 3.28Å; E50-K53 PolarHBondContact OE1-NZ 3.02Å; E50-K53 WeakPolarHBondContact OE2-CD 3.46Å; E50-K53 IonicContact OE2-NZ 3.92Å; E50-K53 PolarHBondContact OE2-NZ 2.83Å; E50-K53 VanDerWaalsContact OE2-NZ 3.14Å; E50-V54 PolarHBondContact O-N 3.03Å; E50-Y67 WeakPolarHBondContact OE1-CE1 3.43Å; E50-Y67 PolarHBondContact OE1-OH 3Å; E50-I303 HydrophobicContact CB-CD1 3.86Å; E50-I303 HydrophobicContact CB-CG1 3.97Å
51A98.4Very high97.9Very high0 Ų046.4 Ų46.40%024%0.244CC..Hα-helixtrans-67.3-46.3170.800000111.9I48 A49 K53 V54 I55 C299 I302 I303I48-A51 PolarHBondContact O-N 2.84Å; A49-A51 VanDerWaalsContact C-N 3.3Å; A49-A51 PolarHBondContact O-N 2.99Å; A51-K53 VanDerWaalsContact C-N 3.28Å; A51-K53 PolarHBondContact O-N 2.81Å; A51-V54 WeakPolarHBondContact O-CB 3.4Å; A51-V54 PolarHBondContact O-N 2.86Å; A51-I55 WeakPolarHBondContact O-CG1 3.48Å; A51-I55 PolarHBondContact O-N 3.16Å; A51-C299 HydrophobicContact CB-CB 3.6Å; A51-I302 HydrophobicContact CB-CB 4.29Å; A51-I302 HydrophobicContact CB-CG2 4.17Å; A51-I303 HydrophobicContact CB-CD1 4.38Å; A51-I303 HydrophobicContact CB-CG1 4.18Å
52C98.2Very high97.8Very high0 Ų049.8 Ų49.80%026%0.259CS..Hα-helixtrans-63.6-33.3177.5-66.60000112.4F37 I48 A49 V54 I55 L56 F65F37-C52 HydrophobicContact CE2-CB 3.95Å; F37-C52 HydrophobicContact CZ-CB 3.97Å; I48-C52 PolarHBondContact O-N 3.23Å; I48-C52 PolarHBondContact O-SG 2.89Å; A49-C52 PolarHBondContact O-N 2.91Å; C52-V54 VanDerWaalsContact C-N 3.33Å; C52-V54 PolarHBondContact O-N 2.83Å; C52-I55 PolarHBondContact O-N 3.17Å; C52-L56 WeakPolarHBondContact O-CB 3.4Å; C52-L56 WeakPolarHBondContact O-CD1 3.5Å; C52-L56 VanDerWaalsContact O-CG 3.27Å; C52-L56 WeakPolarHBondContact O-CG 3.38Å; C52-L56 PolarHBondContact O-N 3.36Å; C52-F65 HydrophobicContact CB-CZ 4.21Å
53K98.4Very high97.9Very high101 Ų10149 Ų4944%0.43925%0.249SC..Hα-helixtrans-60.8-40174.3-174.4-178.4179.4-177.30112.5A49 E50 A51 K57 F65A49-K53 WeakPolarHBondContact O-CB 3.15Å; A49-K53 PolarHBondContact O-N 2.81Å; E50-K53 IonicContact OE1-NZ 3.28Å; E50-K53 PolarHBondContact OE1-NZ 3.02Å; E50-K53 WeakPolarHBondContact OE2-CD 3.46Å; E50-K53 IonicContact OE2-NZ 3.92Å; E50-K53 PolarHBondContact OE2-NZ 2.83Å; E50-K53 VanDerWaalsContact OE2-NZ 3.14Å; A51-K53 VanDerWaalsContact C-N 3.28Å; A51-K53 PolarHBondContact O-N 2.81Å; K53-K57 VanDerWaalsContact O-CB 3.31Å; K53-K57 WeakPolarHBondContact O-CB 3.47Å; K53-K57 PolarHBondContact O-N 2.78Å; K53-F65 HydrophobicContact CB-CD1 3.88Å; K53-F65 HydrophobicContact CB-CE1 3.84Å; K53-F65 HydrophobicContact CG-CD1 4.16Å
54V98.3Very high97.9Very high28 Ų2851.6 Ų51.617%0.1725%0.249CC..Hα-helixtrans-63.2-48.6173.5174.30000110.1E50 A51 C52 L56 K57 E58 I302E50-V54 PolarHBondContact O-N 3.03Å; A51-V54 WeakPolarHBondContact O-CB 3.4Å; A51-V54 PolarHBondContact O-N 2.86Å; C52-V54 VanDerWaalsContact C-N 3.33Å; C52-V54 PolarHBondContact O-N 2.83Å; V54-L56 PolarHBondContact O-N 3.48Å; V54-K57 PolarHBondContact O-N 3.26Å; V54-E58 WeakPolarHBondContact O-CG 3.46Å; V54-E58 PolarHBondContact O-N 2.95Å; V54-E58 VanDerWaalsContact O-N 3.13Å; V54-I302 HydrophobicContact CB-CG2 3.83Å; V54-I302 HydrophobicContact CG1-CG2 3.89Å; V54-I302 HydrophobicContact CG2-CG2 4.27Å
55I97.6Very high98Very high3 Ų351 Ų512%0.01525%0.248CC..Hα-helixtrans-58.7-49.2179.6-63168.3000111.1L21 L24 A51 C52 K57 E58 Q59 I302 L313L21-I55 HydrophobicContact CD2-CD1 4.43Å; L21-I55 HydrophobicContact CD2-CG2 3.9Å; L24-I55 HydrophobicContact CD1-CG2 3.73Å; A51-I55 WeakPolarHBondContact O-CG1 3.48Å; A51-I55 PolarHBondContact O-N 3.16Å; C52-I55 PolarHBondContact O-N 3.17Å; I55-K57 PolarHBondContact O-N 2.84Å; I55-E58 PolarHBondContact O-N 3.05Å; I55-Q59 PolarHBondContact O-N 3.02Å; I55-I302 HydrophobicContact CD1-CD1 4.32Å; I55-L313 HydrophobicContact CD1-CD1 3.94Å
56L97.9Very high98Very high5 Ų553.1 Ų53.13%0.02626%0.262CS..Hα-helixtrans-62.4-42.1-179.9-73.4161.8000111.7V20 L24 L35 C52 V54 E58 Q59 A60 I63 F65V20-L56 HydrophobicContact CG1-CD2 4.28Å; V20-L56 HydrophobicContact CG1-CG 4.33Å; L24-L56 HydrophobicContact CD1-CD2 4.16Å; L24-L56 HydrophobicContact CD2-CD2 3.96Å; L24-L56 HydrophobicContact CG-CD2 4.31Å; L35-L56 HydrophobicContact CD2-CD1 4.2Å; L35-L56 HydrophobicContact CD2-CD2 4.42Å; C52-L56 WeakPolarHBondContact O-CB 3.4Å; C52-L56 WeakPolarHBondContact O-CD1 3.5Å; C52-L56 VanDerWaalsContact O-CG 3.27Å; C52-L56 WeakPolarHBondContact O-CG 3.38Å; C52-L56 PolarHBondContact O-N 3.36Å; V54-L56 PolarHBondContact O-N 3.48Å; L56-E58 VanDerWaalsContact C-N 3.26Å; L56-E58 PolarHBondContact O-N 3.06Å; L56-Q59 PolarHBondContact O-N 3.46Å; L56-A60 CarbonylContact O-C 3.53Å; L56-A60 WeakPolarHBondContact O-CA 3.49Å; L56-A60 PolarHBondContact O-N 3.41Å; L56-I63 HydrophobicContact CD2-CD1 4.4Å; L56-F65 HydrophobicContact CD1-CB 3.74Å; L56-F65 HydrophobicContact CD1-CD1 4.01Å; L56-F65 HydrophobicContact CD1-CD2 3.23Å; L56-F65 HydrophobicContact CD1-CE1 4.48Å; L56-F65 HydrophobicContact CD1-CE2 3.79Å; L56-F65 HydrophobicContact CD1-CG 3.36Å; L56-F65 HydrophobicContact CD1-CZ 4.37Å
57K97.7Very high98Very high164 Ų16451.6 Ų51.671%0.71325%0.253SS*.Hα-helixtrans-62.2-34176.7-174.8-179.7178.3-175.50112.7K53 V54 I55K53-K57 VanDerWaalsContact O-CB 3.31Å; K53-K57 WeakPolarHBondContact O-CB 3.47Å; K53-K57 PolarHBondContact O-N 2.78Å; V54-K57 PolarHBondContact O-N 3.26Å; I55-K57 PolarHBondContact O-N 2.84Å
58E97.1Very high98Very high91 Ų9151.5 Ų51.543%0.42525%0.252SS..Hα-helixtrans-79-41.1179.1-72.1-177.9167.300112.8V54 I55 L56 K307 S308V54-E58 WeakPolarHBondContact O-CG 3.46Å; V54-E58 PolarHBondContact O-N 2.95Å; V54-E58 VanDerWaalsContact O-N 3.13Å; I55-E58 PolarHBondContact O-N 3.05Å; L56-E58 VanDerWaalsContact C-N 3.26Å; L56-E58 PolarHBondContact O-N 3.06Å; E58-K307 WeakPolarHBondContact OE1-CA 3.33Å; E58-S308 WeakPolarHBondContact OE2-CB 3.45Å; E58-S308 PolarHBondContact OE2-N 3.26Å; E58-S308 VanDerWaalsContact OE2-N 3.14Å; E58-S308 PolarHBondContact OE2-OG 2.92Å
59Q96.4Very high98Very high105 Ų10555.1 Ų55.149%0.49127%0.274SS..Hα-helixtrans-99.7-31.3-169.4-61.9-172.522.400114.5L24 I55 L56L24-Q59 HydrophobicContact CD1-CB 4.21Å; I55-Q59 PolarHBondContact O-N 3.02Å; L56-Q59 PolarHBondContact O-N 3.46Å
60A97Very high98Very high4 Ų458.7 Ų58.73%0.03329%0.293CS..  trans-152.665-176.400000111.4L24 L56 E62 I63L24-A60 HydrophobicContact CD2-CB 3.53Å; L56-A60 CarbonylContact O-C 3.53Å; L56-A60 WeakPolarHBondContact O-CA 3.49Å; L56-A60 PolarHBondContact O-N 3.41Å; A60-E62 WeakPolarHBondContact CA-OE2 3.39Å; A60-E62 PolarHBondContact O-N 2.84Å; A60-I63 HydrophobicContact CB-CD1 3.55Å; A60-I63 HydrophobicContact CB-CG1 3.96Å; A60-I63 PolarHBondContact O-N 2.94Å
61P97.1Very high98Very high95 Ų9557.3 Ų57.362%0.61729%0.289SS*.THydrogen-bonded Turntrans-61.9-13.2-175.526.1-35.7000114.4
62E97Very high98Very high112 Ų11262.5 Ų62.552%0.52331%0.313SS..THydrogen-bonded Turntrans-79.3-12.2175.275.3-78.9-170.100114.5A60A60-E62 WeakPolarHBondContact CA-OE2 3.39Å; A60-E62 PolarHBondContact O-N 2.84Å
63I98.4Very high98.1Very high10 Ų1064.8 Ų64.85%0.05133%0.332CS..SBendtrans-81.8120.6176.1-61.1174.5000108.8L24 L32 L35 L56 A60 F65L24-I63 HydrophobicContact CD2-CD1 4.02Å; L32-I63 HydrophobicContact CB-CD1 3.98Å; L32-I63 HydrophobicContact CB-CG1 4.24Å; L32-I63 HydrophobicContact CB-CG2 4.35Å; L32-I63 HydrophobicContact CD1-CD1 4.5Å; L35-I63 HydrophobicContact CB-CG2 4.07Å; L56-I63 HydrophobicContact CD2-CD1 4.4Å; A60-I63 HydrophobicContact CB-CD1 3.55Å; A60-I63 HydrophobicContact CB-CG1 3.96Å; A60-I63 PolarHBondContact O-N 2.94Å; I63-F65 PolarHBondContact O-N 3.1Å
64E98.5Very high98.1Very high126 Ų12660 Ų6059%0.58931%0.311SS*.EExtended strand (participates in β ladder)trans-69.2114.8174.1-176-174.6166.800110.4R33 S34 L35R33-E64 PolarHBondContact O-N 2.78Å; S34-E64 CarbonylContact C-O 3.35Å; S34-E64 WeakPolarHBondContact CA-O 3.27Å; S34-E64 PolarHBondContact OG-O 3.17Å; S34-E64 VanDerWaalsContact OG-O 3.09Å; L35-E64 PolarHBondContact N-O 2.85Å
65F98.7Very high98.1Very high39 Ų3958.7 Ų58.717%0.17130%0.303CS..EExtended strand (participates in β ladder)trans-111134.1-178.5-178.3-110.4000112.8L35 F37 A49 C52 K53 L56 I63 Y67L35-F65 HydrophobicContact CB-CD2 4.22Å; L35-F65 HydrophobicContact CD2-CD2 4.35Å; L35-F65 HydrophobicContact CD2-CE2 4.47Å; L35-F65 HydrophobicContact CG-CD2 4.23Å; L35-F65 HydrophobicContact CG-CE2 4.43Å; L35-F65 WeakPolarHBondContact O-CA 3.17Å; L35-F65 VanDerWaalsContact O-CD2 3.27Å; L35-F65 WeakPolarHBondContact O-CD2 3.19Å; F37-F65 AromaticContact CD1-CE2 3.95Å; F37-F65 HydrophobicContact CD1-CE2 3.95Å; F37-F65 HydrophobicContact CD2-CE2 4.03Å; F37-F65 AromaticContact CD2-CZ 3.76Å; F37-F65 HydrophobicContact CD2-CZ 3.76Å; F37-F65 AromaticContact CE1-CE2 3.7Å; F37-F65 HydrophobicContact CE1-CE2 3.7Å; F37-F65 HydrophobicContact CE1-CZ 4.34Å; F37-F65 AromaticContact CE2-CE2 3.82Å; F37-F65 HydrophobicContact CE2-CE2 3.82Å; F37-F65 AromaticContact CE2-CZ 3.59Å; F37-F65 HydrophobicContact CE2-CZ 3.59Å; F37-F65 HydrophobicContact CG-CE2 4.09Å; F37-F65 HydrophobicContact CG-CZ 4.22Å; F37-F65 AromaticContact CZ-CE2 3.63Å; F37-F65 HydrophobicContact CZ-CE2 3.63Å; F37-F65 AromaticContact CZ-CZ 3.89Å; F37-F65 HydrophobicContact CZ-CZ 3.89Å; A49-F65 HydrophobicContact CB-CE1 4.47Å; A49-F65 HydrophobicContact CB-CZ 4.24Å; A49-F65 WeakPolarHBondContact O-CE1 3.31Å; C52-F65 HydrophobicContact CB-CZ 4.21Å; K53-F65 HydrophobicContact CB-CD1 3.88Å; K53-F65 HydrophobicContact CB-CE1 3.84Å; K53-F65 HydrophobicContact CG-CD1 4.16Å; L56-F65 HydrophobicContact CD1-CB 3.74Å; L56-F65 HydrophobicContact CD1-CD1 4.01Å; L56-F65 HydrophobicContact CD1-CD2 3.23Å; L56-F65 HydrophobicContact CD1-CE1 4.48Å; L56-F65 HydrophobicContact CD1-CE2 3.79Å; L56-F65 HydrophobicContact CD1-CG 3.36Å; L56-F65 HydrophobicContact CD1-CZ 4.37Å; I63-F65 PolarHBondContact O-N 3.1Å; F65-Y67 HydrophobicContact CE1-CD1 4.25Å
66S98.6Very high98.2Very high44 Ų4461.2 Ų61.231%0.30832%0.319SS..EExtended strand (participates in β ladder)trans-148161.6171.664.80000111.7L35 K36 F37L35-S66 PolarHBondContact O-N 3.31Å; L35-S66 VanDerWaalsContact O-N 3.16Å; K36-S66 CarbonylContact C-O 3.59Å; K36-S66 VanDerWaalsContact CA-O 3.26Å; K36-S66 WeakPolarHBondContact CA-O 3.38Å; F37-S66 PolarHBondContact N-O 2.97Å
67Y98.7Very high98.2Very high70 Ų7065.1 Ų65.128%0.27534%0.34SS..EExtended strand (participates in β ladder)trans-140145.6171.763.7-83.4000109.4F37 Q45 E46 A49 E50 F65F37-Y67 WeakPolarHBondContact O-CA 3.27Å; Q45-Y67 HydrophobicContact CG-CD2 4.44Å; E46-Y67 HydrophobicContact CB-CE2 4.31Å; E46-Y67 HydrophobicContact CG-CE2 4.31Å; A49-Y67 HydrophobicContact CB-CD1 3.39Å; A49-Y67 HydrophobicContact CB-CD2 3.81Å; A49-Y67 HydrophobicContact CB-CE1 3.85Å; A49-Y67 HydrophobicContact CB-CE2 4.24Å; A49-Y67 HydrophobicContact CB-CG 3.36Å; E50-Y67 WeakPolarHBondContact OE1-CE1 3.43Å; E50-Y67 PolarHBondContact OE1-OH 3Å; F65-Y67 HydrophobicContact CE1-CD1 4.25Å
68T98.8Very high98.2Very high34 Ų3457.8 Ų57.821%0.20931%0.309CS..EExtended strand (participates in β ladder)trans-156162.8-174.7-171.80000111.5F37 Y38 D39 Q45 D70 A73 A74F37-T68 PolarHBondContact O-N 3.45Å; Y38-T68 WeakPolarHBondContact CA-O 3.26Å; D39-T68 PolarHBondContact N-O 3.25Å; Q45-T68 PolarHBondContact NE2-O 2.85Å; T68-D70 WeakPolarHBondContact CG2-O 3.39Å; T68-D70 WeakPolarHBondContact OG1-CB 3.49Å; T68-D70 PolarHBondContact OG1-N 3.24Å; T68-A73 HydrophobicContact CG2-CB 4Å; T68-A74 HydrophobicContact CG2-CB 3.69Å
69T98.7Very high98.3Very high77 Ų7755.1 Ų55.147%0.47230%0.297SS..SBendtrans-104.9-2.3165.464.50000111.9D39 P71D39-T69 WeakPolarHBondContact O-CA 3.26Å; D39-T69 WeakPolarHBondContact O-CB 3.27Å; D39-T69 WeakPolarHBondContact O-CG2 3.34Å; T69-P71 WeakPolarHBondContact O-CD 3.42Å
70D98.7Very high98.4Very high74 Ų7450.4 Ų50.440%0.39628%0.275SS..  trans-86118.5177.6173.154.1000111.1T68 Q72 A73 A74T68-D70 WeakPolarHBondContact CG2-O 3.39Å; T68-D70 WeakPolarHBondContact OG1-CB 3.49Å; T68-D70 PolarHBondContact OG1-N 3.24Å; D70-Q72 VanDerWaalsContact C-N 3.31Å; D70-Q72 PolarHBondContact O-N 2.91Å; D70-Q72 PolarHBondContact OD2-N 3.28Å; D70-A73 HydrophobicContact CB-CB 4.22Å; D70-A73 PolarHBondContact O-N 3.43Å; D70-A73 VanDerWaalsContact OD2-CB 3.26Å; D70-A73 WeakPolarHBondContact OD2-CB 3.47Å; D70-A73 PolarHBondContact OD2-N 2.94Å; D70-A74 WeakPolarHBondContact O-CB 3.36Å; D70-A74 PolarHBondContact O-N 3.46Å; D70-A74 VanDerWaalsContact O-N 3.15Å
71P98.6Very high98.5Very high22 Ų2250.2 Ų50.214%0.14327%0.274CS..Hα-helixtrans-59.2-37.4-180-25.734.6000113.8Y38 T69 A74 F75 Y132 Y136Y38-P71 HydrophobicContact CE2-CB 4.39Å; Y38-P71 HydrophobicContact CE2-CG 4Å; T69-P71 WeakPolarHBondContact O-CD 3.42Å; P71-A74 PolarHBondContact O-N 3.29Å; P71-F75 WeakPolarHBondContact O-CB 3.35Å; P71-F75 WeakPolarHBondContact O-CD2 3.3Å; P71-F75 PolarHBondContact O-N 2.86Å; P71-Y132 HydrophobicContact CB-CD1 3.7Å; P71-Y132 HydrophobicContact CB-CD2 3.78Å; P71-Y132 HydrophobicContact CB-CE1 3.74Å; P71-Y132 HydrophobicContact CB-CE2 3.83Å; P71-Y132 HydrophobicContact CB-CG 3.73Å; P71-Y132 HydrophobicContact CG-CD1 4.32Å; P71-Y132 HydrophobicContact CG-CD2 4.14Å; P71-Y132 HydrophobicContact CG-CE1 3.85Å; P71-Y132 HydrophobicContact CG-CE2 3.66Å; P71-Y132 HydrophobicContact CG-CG 4.46Å; P71-Y136 HydrophobicContact CB-CE2 4.3Å
72Q98.7Very high98.5Very high108 Ų10845.7 Ų45.751%0.50524%0.244SC..Hα-helixtrans-65.4-48.3-178.1178.8169.6-8.600111.4D70 A74 T76 Y136D70-Q72 VanDerWaalsContact C-N 3.31Å; D70-Q72 PolarHBondContact O-N 2.91Å; D70-Q72 PolarHBondContact OD2-N 3.28Å; Q72-A74 VanDerWaalsContact C-N 3.31Å; Q72-A74 PolarHBondContact O-N 3.45Å; Q72-T76 VanDerWaalsContact O-CB 3.25Å; Q72-T76 WeakPolarHBondContact O-CB 3.38Å; Q72-T76 PolarHBondContact O-N 3.49Å; Q72-T76 VanDerWaalsContact O-N 3.13Å; Q72-T76 PolarHBondContact O-OG1 3.39Å; Q72-Y136 HydrophobicContact CB-CD1 4.3Å; Q72-Y136 HydrophobicContact CB-CE1 3.67Å; Q72-Y136 HydrophobicContact CB-CE2 4.27Å; Q72-Y136 HydrophobicContact CG-CD1 3.95Å; Q72-Y136 HydrophobicContact CG-CE1 3.54Å
73A98.6Very high98.6Very high49 Ų4940.3 Ų40.341%0.40522%0.219SC..Hα-helixtrans-60.9-40.3177.400000112.3K36 T68 D70K36-A73 PolarHBondContact NZ-O 3.01Å; T68-A73 HydrophobicContact CG2-CB 4Å; D70-A73 HydrophobicContact CB-CB 4.22Å; D70-A73 PolarHBondContact O-N 3.43Å; D70-A73 VanDerWaalsContact OD2-CB 3.26Å; D70-A73 WeakPolarHBondContact OD2-CB 3.47Å; D70-A73 PolarHBondContact OD2-N 2.94Å
74A98.8Very high98.5Very high0 Ų040.9 Ų40.90%022%0.222CC..Hα-helixtrans-68.2-49-179.900000113.5V7 K36 Y38 T68 D70 P71 Q72V7-A74 HydrophobicContact CG2-CB 4.22Å; K36-A74 WeakPolarHBondContact CD-O 3.34Å; Y38-A74 HydrophobicContact CD2-CB 3.69Å; Y38-A74 HydrophobicContact CG-CB 4.01Å; T68-A74 HydrophobicContact CG2-CB 3.69Å; D70-A74 WeakPolarHBondContact O-CB 3.36Å; D70-A74 PolarHBondContact O-N 3.46Å; D70-A74 VanDerWaalsContact O-N 3.15Å; P71-A74 PolarHBondContact O-N 3.29Å; Q72-A74 VanDerWaalsContact C-N 3.31Å; Q72-A74 PolarHBondContact O-N 3.45Å
75F98.8Very high98.5Very high0 Ų036.1 Ų36.10%020%0.2CC..Hα-helixtrans-97.7-3.1-167.9-71.2-90.4000114.4V7 A9 Y38 P71 V81 L129 Y132 M133 Y136 S137V7-F75 HydrophobicContact CG1-CD1 4.13Å; V7-F75 HydrophobicContact CG1-CE1 4.12Å; A9-F75 HydrophobicContact CB-CZ 4.36Å; Y38-F75 AromaticContact CD1-CE2 3.78Å; Y38-F75 HydrophobicContact CD1-CE2 3.78Å; Y38-F75 HydrophobicContact CD1-CZ 4.14Å; Y38-F75 HydrophobicContact CD2-CE2 4.13Å; Y38-F75 HydrophobicContact CE1-CE2 4.15Å; Y38-F75 HydrophobicContact CE2-CE2 4.47Å; Y38-F75 AromaticContact CG-CE2 3.76Å; Y38-F75 HydrophobicContact CG-CE2 3.76Å; Y38-F75 HydrophobicContact CG-CZ 4.41Å; P71-F75 WeakPolarHBondContact O-CB 3.35Å; P71-F75 WeakPolarHBondContact O-CD2 3.3Å; P71-F75 PolarHBondContact O-N 2.86Å; F75-V81 HydrophobicContact CD1-CG2 3.96Å; F75-V81 HydrophobicContact CE1-CG1 3.81Å; F75-V81 HydrophobicContact CE1-CG2 3.84Å; F75-L129 HydrophobicContact CE2-CD2 4.45Å; F75-L129 HydrophobicContact CZ-CD2 3.91Å; F75-Y132 HydrophobicContact CD2-CD2 4.42Å; F75-Y132 HydrophobicContact CD2-CG 4.39Å; F75-Y132 HydrophobicContact CE2-CD2 4.1Å; F75-Y132 HydrophobicContact CE2-CG 4.47Å; F75-M133 HydrophobicContact CD1-CB 4.17Å; F75-M133 HydrophobicContact CE1-CB 4.49Å; F75-Y136 HydrophobicContact CB-CD2 3.97Å; F75-Y136 HydrophobicContact CB-CG 4.35Å; F75-Y136 CarbonylContact O-C 3.59Å; F75-Y136 WeakPolarHBondContact O-CB 3.45Å; F75-S137 WeakPolarHBondContact O-CB 3.47Å; F75-S137 PolarHBondContact O-OG 3.24Å
76T98.8Very high98.5Very high56 Ų5636.7 Ų36.734%0.34420%0.201SC..THydrogen-bonded Turntrans-75.1135.9172.2-62.50000110.5K36 Q72K36-T76 PolarHBondContact NZ-O 3.37Å; Q72-T76 VanDerWaalsContact O-CB 3.25Å; Q72-T76 WeakPolarHBondContact O-CB 3.38Å; Q72-T76 PolarHBondContact O-N 3.49Å; Q72-T76 VanDerWaalsContact O-N 3.13Å; Q72-T76 PolarHBondContact O-OG1 3.39Å
77D98.5Very high98.4Very high88 Ų8836.1 Ų36.147%0.47120%0.196SC..THydrogen-bonded Turntrans56.656.3174.6-17641.5000113.1S5 R33 S137S5-D77 WeakPolarHBondContact CB-O 3.42Å; S5-D77 PolarHBondContact OG-O 2.94Å; R33-D77 IonicContact CZ-OD1 3.93Å; R33-D77 IonicContact CZ-OD2 3.58Å; R33-D77 VanDerWaalsContact CZ-OD2 3.28Å; R33-D77 IonicContact NH1-OD1 3.2Å; R33-D77 IonicContact NH1-OD2 2.68Å; R33-D77 PolarHBondContact NH1-OD2 2.77Å; R33-D77 IonicContact NH2-OD1 3.04Å; R33-D77 PolarHBondContact NH2-OD1 2.94Å; R33-D77 IonicContact NH2-OD2 3.35Å; R33-D77 PolarHBondContact NH2-OD2 3.5Å; D77-S137 PolarHBondContact N-OG 2.87Å; D77-S137 VanDerWaalsContact N-OG 3.12Å
78V98.6Very high98.4Very high9 Ų933.3 Ų33.36%0.05519%0.187CC..  trans-121.1141.3173.8-58.80000110.6V7 K36 V81 S137 A140V7-V78 HydrophobicContact CB-CG1 4.01Å; V7-V78 HydrophobicContact CG1-CB 4.24Å; V7-V78 HydrophobicContact CG1-CG1 3.9Å; V7-V78 HydrophobicContact CG1-CG2 4.1Å; K36-V78 HydrophobicContact CD-CG1 4.43Å; V78-V81 HydrophobicContact CG2-CG2 4.23Å; V78-S137 WeakPolarHBondContact CG2-OG 3.49Å; V78-S137 PolarHBondContact N-OG 3.36Å; V78-S137 VanDerWaalsContact N-OG 3.11Å; V78-A140 HydrophobicContact CG2-CB 4.12Å; V78-A140 WeakPolarHBondContact O-CB 3.46Å
79D98.6Very high98.3Very high35 Ų3535.5 Ų35.519%0.18719%0.194CC..SBendtrans-90.1-33.7171.9-63.9-90.1000110.6K2 F4 S5 A140 W141K2-D79 IonicContact NZ-OD1 3.14Å; K2-D79 PolarHBondContact NZ-OD1 3.14Å; F4-D79 WeakPolarHBondContact CA-OD2 3.44Å; F4-D79 HydrophobicContact CB-CB 4.3Å; F4-D79 HydrophobicContact CD1-CB 3.92Å; S5-D79 PolarHBondContact N-OD2 3.27Å; S5-D79 PolarHBondContact O-N 2.68Å; D79-A140 VanDerWaalsContact O-CA 3.27Å; D79-A140 WeakPolarHBondContact O-CA 3.27Å; D79-W141 PolarHBondContact O-N 3.02Å; D79-W141 VanDerWaalsContact O-N 3.09Å
80F98.7Very high98.3Very high6 Ų632.3 Ų32.33%0.02617%0.173CC..EExtended strand (participates in β ladder)trans-137.2141.5179.8-64.1-91.8000112.4F4 S5 V6 V7 F30 W141 L143 A326 I329 A330F4-F80 HydrophobicContact CB-CD2 4.5Å; F4-F80 HydrophobicContact CD1-CD2 4.34Å; F4-F80 AromaticContact CD1-CE2 3.78Å; F4-F80 HydrophobicContact CD1-CE2 3.78Å; F4-F80 HydrophobicContact CE1-CE2 4.21Å; F4-F80 HydrophobicContact CG-CE2 4.24Å; S5-F80 PolarHBondContact O-N 3.39Å; V6-F80 WeakPolarHBondContact CA-O 3.25Å; V6-F80 HydrophobicContact CG2-CB 4.31Å; V7-F80 PolarHBondContact N-O 2.81Å; F30-F80 HydrophobicContact CE2-CD2 4.15Å; F30-F80 AromaticContact CE2-CE2 3.72Å; F30-F80 HydrophobicContact CE2-CE2 3.72Å; F30-F80 HydrophobicContact CE2-CZ 4.3Å; F30-F80 AromaticContact CZ-CD2 3.63Å; F30-F80 HydrophobicContact CZ-CD2 3.63Å; F30-F80 AromaticContact CZ-CE2 3.71Å; F30-F80 HydrophobicContact CZ-CE2 3.71Å; F30-F80 HydrophobicContact CZ-CG 4.37Å; F80-W141 CarbonylContact C-O 3.5Å; F80-W141 VanDerWaalsContact CA-O 3.3Å; F80-W141 WeakPolarHBondContact CA-O 3.48Å; F80-W141 HydrophobicContact CD1-CB 3.83Å; F80-W141 HydrophobicContact CE1-CB 4.01Å; F80-L143 HydrophobicContact CD1-CD1 4.16Å; F80-L143 HydrophobicContact CD1-CG 4.34Å; F80-A326 HydrophobicContact CD1-CB 4.29Å; F80-A326 HydrophobicContact CE1-CB 4.15Å; F80-A326 HydrophobicContact CZ-CB 4.36Å; F80-A326 WeakPolarHBondContact CZ-O 3.31Å; F80-I329 HydrophobicContact CE1-CB 4.08Å; F80-I329 HydrophobicContact CE1-CD1 4.31Å; F80-I329 HydrophobicContact CE1-CG2 3.93Å; F80-I329 HydrophobicContact CZ-CB 4.26Å; F80-I329 HydrophobicContact CZ-CG2 4.07Å; F80-A330 HydrophobicContact CE2-CB 4.34Å; F80-A330 HydrophobicContact CZ-CB 4.1Å
81V98.7Very high98.2Very high0 Ų032.2 Ų32.20%018%0.177CC..EExtended strand (participates in β ladder)trans-108118168179.20000107.9V7 A9 F75 V78 M133 W141 M142 L143V7-V81 HydrophobicContact CG1-CB 4.11Å; V7-V81 HydrophobicContact CG1-CG1 4.15Å; V7-V81 HydrophobicContact CG1-CG2 3.66Å; V7-V81 CarbonylContact O-C 3.55Å; V7-V81 WeakPolarHBondContact O-CA 3.34Å; A9-V81 HydrophobicContact CB-CG1 4.32Å; F75-V81 HydrophobicContact CD1-CG2 3.96Å; F75-V81 HydrophobicContact CE1-CG1 3.81Å; F75-V81 HydrophobicContact CE1-CG2 3.84Å; V78-V81 HydrophobicContact CG2-CG2 4.23Å; V81-M133 HydrophobicContact CB-SD 4.24Å; V81-M133 HydrophobicContact CG2-CB 4.1Å; V81-M133 HydrophobicContact CG2-CG 3.73Å; V81-M133 HydrophobicContact CG2-SD 3.68Å; V81-W141 PolarHBondContact N-O 3.23Å; V81-M142 HydrophobicContact CB-CB 4.22Å; V81-M142 HydrophobicContact CB-CG 4.16Å; V81-M142 HydrophobicContact CG1-CG 4.09Å; V81-M142 CarbonylContact O-C 3.47Å; V81-M142 WeakPolarHBondContact O-CA 3.06Å; V81-L143 PolarHBondContact O-N 2.67Å
82M98.1Very high98.2Very high0 Ų031.9 Ų31.90%017%0.174CC..EExtended strand (participates in β ladder)trans-101110.1174.4-65.5-175.7177.800108.4V6 V7 I8 A9 L23 F30 I322 A326V6-M82 HydrophobicContact CG1-CE 4.07Å; V6-M82 HydrophobicContact CG1-CG 3.88Å; V6-M82 HydrophobicContact CG1-SD 3.76Å; V6-M82 HydrophobicContact CG2-CE 4.33Å; V7-M82 PolarHBondContact O-N 3.11Å; I8-M82 CarbonylContact C-O 3.59Å; I8-M82 VanDerWaalsContact CA-O 3.31Å; I8-M82 WeakPolarHBondContact CA-O 3.34Å; I8-M82 HydrophobicContact CG1-CB 4.31Å; A9-M82 PolarHBondContact N-O 3.12Å; L23-M82 HydrophobicContact CD1-SD 4.2Å; L23-M82 HydrophobicContact CD2-CE 3.95Å; L23-M82 HydrophobicContact CD2-SD 4.27Å; F30-M82 HydrophobicContact CE1-CE 4.2Å; M82-I322 HydrophobicContact CB-CD1 3.53Å; M82-I322 HydrophobicContact CE-CD1 4.44Å; M82-I322 HydrophobicContact CE-CG1 4.21Å; M82-I322 HydrophobicContact CE-CG2 4.46Å; M82-I322 HydrophobicContact CG-CD1 3.4Å; M82-I322 HydrophobicContact CG-CG1 4.08Å; M82-I322 HydrophobicContact SD-CD1 3.71Å; M82-I322 HydrophobicContact SD-CG1 4.09Å; M82-I322 HydrophobicContact SD-CG2 4.16Å; M82-A326 HydrophobicContact CE-CB 4.25Å
83A98.1Very high98.2Very high0 Ų027.4 Ų27.40%015%0.152CC..EExtended strand (participates in β ladder)trans-115.5127.8-169.600000112.6A9 L129 M142 L143 Y145 S146A9-A83 HydrophobicContact CB-CB 4.19Å; A83-L129 HydrophobicContact CB-CD1 4.13Å; A83-M142 HydrophobicContact CB-CE 3.29Å; A83-M142 HydrophobicContact CB-CG 4.4Å; A83-L143 PolarHBondContact N-O 2.94Å; A83-Y145 PolarHBondContact O-N 3.35Å; A83-S146 PolarHBondContact O-N 3.12Å; A83-S146 PolarHBondContact O-OG 3.35Å
84H96.8Very high98.2Very high22 Ų2226.9 Ų26.910%0.10214%0.142CC..  trans-145.747.2176.352.353.9000110.6I8 A9 G10 S13 T16 I19 S146I8-H84 WeakPolarHBondContact CG2-NE2 3.26Å; A9-H84 PolarHBondContact O-N 2.81Å; A9-H84 VanDerWaalsContact O-N 3.09Å; G10-H84 PolarHBondContact O-CE1 3.47Å; G10-H84 PolarHBondContact O-ND1 2.71Å; S13-H84 WeakPolarHBondContact CB-ND1 3.32Å; T16-H84 PolarHBondContact OG1-CE1 2.88Å; I19-H84 WeakPolarHBondContact CD1-CD2 3.31Å; I19-H84 VanDerWaalsContact CD1-NE2 3.3Å; I19-H84 WeakPolarHBondContact CD1-NE2 3.14Å; H84-S146 WeakPolarHBondContact CA-OG 3.48Å
85I98.1Very high98.2Very high26 Ų2630.1 Ų30.113%0.13316%0.157CC..  trans-68.9152.6178.559.6165000110.5V87 Y118 G125 V126 L129 S146I85-V87 HydrophobicContact CD1-CG2 4.06Å; I85-Y118 PolarHBondContact O-OH 3.34Å; I85-G125 VanDerWaalsContact CD1-C 3.49Å; I85-V126 HydrophobicContact CD1-CG2 4.15Å; I85-V126 HydrophobicContact CG1-CG2 4.41Å; I85-L129 HydrophobicContact CD1-CD1 3.92Å; I85-L129 HydrophobicContact CD1-CG 4.5Å; I85-L129 HydrophobicContact CG1-CD1 4.2Å; I85-L129 HydrophobicContact CG2-CD1 3.84Å; I85-S146 WeakPolarHBondContact CG1-OG 3.39Å; I85-S146 PolarHBondContact N-OG 3.18Å
86R98.3Very high98.2Very high51 Ų5130.1 Ų30.119%0.19216%0.157CC..  trans-130.493.3169.6-178.6-179.4-59.3-77.2-3.2109.3G88 K89 E109 Y118R86-G88 PolarHBondContact O-N 3.26Å; R86-K89 WeakPolarHBondContact CD-O 3.25Å; R86-K89 PolarHBondContact O-N 2.91Å; R86-E109 IonicContact CZ-OE1 3.27Å; R86-E109 IonicContact NH1-OE1 3.88Å; R86-E109 PolarHBondContact NH1-OE1 2.79Å; R86-E109 IonicContact NH2-OE1 2.66Å; R86-E109 PolarHBondContact NH2-OE1 2.97Å; R86-Y118 WeakPolarHBondContact CA-OH 3.29Å; R86-Y118 HydrophobicContact CG-CE2 3.97Å
87V97.8Very high98.2Very high32 Ų3227.7 Ų27.719%0.19414%0.141CC..THydrogen-bonded Turntrans-61.8122.4177.5-174.40000109.3I85 R121 Y435I85-V87 HydrophobicContact CD1-CG2 4.06Å; V87-R121 HydrophobicContact CB-CB 3.94Å; V87-R121 HydrophobicContact CG1-CB 3.87Å; V87-R121 PolarHBondContact O-NE 3.47Å; V87-Y435 HydrophobicContact CG1-CD1 3.82Å; V87-Y435 HydrophobicContact CG1-CE1 4.46Å
88G97.5Very high98.2Very high10 Ų1025.3 Ų25.310%0.10313%0.127CC..THydrogen-bonded Turntrans86.5-1.7-173.800000115.9R86 M92R86-G88 PolarHBondContact O-N 3.26Å; G88-M92 WeakPolarHBondContact O-CB 3.48Å; G88-M92 WeakPolarHBondContact O-CG 3.44Å; G88-M92 PolarHBondContact O-N 3.09Å
89K97.7Very high98.2Very high81 Ų8125 Ų2535%0.35213%0.125SC..Hα-helixtrans54.2-160.4176.5-57.5176.8-169.6164.50112.6D41 R86 R93D41-K89 IonicContact OD2-NZ 3.6Å; D41-K89 PolarHBondContact OD2-NZ 2.92Å; R86-K89 WeakPolarHBondContact CD-O 3.25Å; R86-K89 PolarHBondContact O-N 2.91Å; K89-R93 PolarHBondContact O-N 3.46Å
90Y97.5Very high98.2Very high9 Ų923.3 Ų23.34%0.03512%0.116CC..Hα-helixtrans-68.8-30.2177.5-62-49.6000115.2T14 M92 R93 E94 V287 M288 R291 E292T14-Y90 HydrophobicContact CG2-CE2 4.13Å; T14-Y90 PolarHBondContact OG1-OH 2.85Å; Y90-M92 VanDerWaalsContact C-N 3.32Å; Y90-M92 PolarHBondContact O-N 3.42Å; Y90-R93 WeakPolarHBondContact O-CB 3.15Å; Y90-R93 PolarHBondContact O-N 3.05Å; Y90-E94 PolarHBondContact O-N 2.84Å; Y90-V287 HydrophobicContact CD1-CG1 3.98Å; Y90-V287 HydrophobicContact CD2-CG1 4.24Å; Y90-V287 HydrophobicContact CE1-CG1 3.47Å; Y90-V287 VanDerWaalsContact CE1-CG1 3.47Å; Y90-V287 HydrophobicContact CE2-CG1 3.76Å; Y90-V287 HydrophobicContact CG-CG1 4.35Å; Y90-M288 VanDerWaalsContact CB-SD 3.58Å; Y90-M288 HydrophobicContact CD2-CG 3.93Å; Y90-M288 HydrophobicContact CG-CG 3.99Å; Y90-R291 PolarHBondContact OH-NH2 2.98Å; Y90-R291 VanDerWaalsContact OH-NH2 3.13Å; Y90-E292 HydrophobicContact CD2-CB 4.49Å; Y90-E292 WeakPolarHBondContact CD2-OE1 3.4Å; Y90-E292 HydrophobicContact CE2-CB 4.14Å; Y90-E292 HydrophobicContact CE2-CG 4.37Å
91P97.3Very high98.2Very high73 Ų7323.7 Ų23.747%0.47412%0.118SC..Hα-helixtrans-57.6-41.3173.4-2937.5000113.5E94 Q95P91-E94 WeakPolarHBondContact O-CB 3.43Å; P91-E94 PolarHBondContact O-N 3.37Å; P91-Q95 PolarHBondContact O-N 3.25Å
92M98.5Very high98.1Very high15 Ų1531.4 Ų31.47%0.07415%0.147CC..Hα-helixtrans-73.3-34.7175.3-71.3-53.6-60.500112.9G88 Y90 E94 Q95 D96 A431 N432 Y435G88-M92 WeakPolarHBondContact O-CB 3.48Å; G88-M92 WeakPolarHBondContact O-CG 3.44Å; G88-M92 PolarHBondContact O-N 3.09Å; Y90-M92 VanDerWaalsContact C-N 3.32Å; Y90-M92 PolarHBondContact O-N 3.42Å; M92-E94 VanDerWaalsContact C-N 3.26Å; M92-E94 PolarHBondContact O-N 3.2Å; M92-Q95 HydrophobicContact CE-CB 4.5Å; M92-Q95 WeakPolarHBondContact O-CB 3.17Å; M92-Q95 PolarHBondContact O-N 2.83Å; M92-Q95 VanDerWaalsContact O-N 3.08Å; M92-Q95 HydrophobicContact SD-CG 4.44Å; M92-D96 PolarHBondContact O-N 3.38Å; M92-A431 WeakPolarHBondContact CE-O 3.27Å; M92-N432 HydrophobicContact CE-CB 4.37Å; M92-N432 VanDerWaalsContact CE-CG 3.47Å; M92-N432 WeakPolarHBondContact CE-OD1 3.31Å; M92-Y435 HydrophobicContact CE-CD2 4.3Å; M92-Y435 HydrophobicContact CE-CE2 4.47Å; M92-Y435 HydrophobicContact CG-CD2 4.14Å; M92-Y435 HydrophobicContact CG-CE2 3.63Å; M92-Y435 HydrophobicContact SD-CD2 4.2Å; M92-Y435 HydrophobicContact SD-CE2 3.78Å
93R98.6Very high98.1Very high14 Ų1434.5 Ų34.55%0.05316%0.161CC..Hα-helixtrans-58.5-40.4171.6-175.4-165.9167.2131.612.8111.6K89 Y90 Q95 D96 E97 E109 A284K89-R93 PolarHBondContact O-N 3.46Å; Y90-R93 WeakPolarHBondContact O-CB 3.15Å; Y90-R93 PolarHBondContact O-N 3.05Å; R93-Q95 VanDerWaalsContact C-N 3.31Å; R93-Q95 PolarHBondContact O-N 3.3Å; R93-D96 WeakPolarHBondContact CA-OD2 3.48Å; R93-D96 WeakPolarHBondContact O-CB 3.32Å; R93-D96 PolarHBondContact O-N 2.83Å; R93-E97 IonicContact CZ-OE1 3.48Å; R93-E97 IonicContact NE-OE1 2.68Å; R93-E97 PolarHBondContact NE-OE1 2.93Å; R93-E97 IonicContact NH2-OE1 3.64Å; R93-E97 PolarHBondContact NH2-OE1 3.25Å; R93-E97 VanDerWaalsContact NH2-OE1 3.16Å; R93-E97 WeakPolarHBondContact O-CG 3.45Å; R93-E97 PolarHBondContact O-N 3.02Å; R93-E109 HydrophobicContact CG-CG 4.49Å; R93-E109 IonicContact CZ-OE2 2.61Å; R93-E109 IonicContact NH1-OE1 2.78Å; R93-E109 IonicContact NH1-OE2 3.53Å; R93-E109 PolarHBondContact NH1-OE2 3.48Å; R93-E109 IonicContact NH2-OE2 3.72Å; R93-E109 PolarHBondContact NH2-OE2 3.35Å; R93-A284 HydrophobicContact CB-CB 4.14Å; R93-A284 HydrophobicContact CG-CB 3.89Å
94E98.4Very high98Very high38 Ų3836.9 Ų36.918%0.17819%0.186CC..Hα-helixtrans-61.2-40.8174.9179179.1-163.300111.3Y90 P91 M92 E97 K98 A284 N285Y90-E94 PolarHBondContact O-N 2.84Å; P91-E94 WeakPolarHBondContact O-CB 3.43Å; P91-E94 PolarHBondContact O-N 3.37Å; M92-E94 VanDerWaalsContact C-N 3.26Å; M92-E94 PolarHBondContact O-N 3.2Å; E94-E97 PolarHBondContact O-N 3.07Å; E94-K98 HydrophobicContact CG-CD 3.75Å; E94-K98 HydrophobicContact CG-CG 4.17Å; E94-K98 VanDerWaalsContact O-CB 3.3Å; E94-K98 WeakPolarHBondContact O-CB 3.36Å; E94-K98 VanDerWaalsContact O-CG 3.29Å; E94-K98 WeakPolarHBondContact O-CG 3.22Å; E94-K98 PolarHBondContact O-N 2.83Å; E94-K98 VanDerWaalsContact OE1-CE 3.25Å; E94-K98 WeakPolarHBondContact OE1-CE 3.19Å; E94-K98 IonicContact OE1-NZ 3.05Å; E94-K98 PolarHBondContact OE1-NZ 2.97Å; E94-A284 HydrophobicContact CB-CB 3.85Å; E94-N285 PolarHBondContact OE1-ND2 2.96Å
95Q98.5Very high98.1Very high68 Ų6836 Ų3632%0.31818%0.182SC..Hα-helixtrans-64-42.4173.8-61.7-57.2-45.500112P91 M92 R93 E97 K98 I99P91-Q95 PolarHBondContact O-N 3.25Å; M92-Q95 HydrophobicContact CE-CB 4.5Å; M92-Q95 WeakPolarHBondContact O-CB 3.17Å; M92-Q95 PolarHBondContact O-N 2.83Å; M92-Q95 VanDerWaalsContact O-N 3.08Å; M92-Q95 HydrophobicContact SD-CG 4.44Å; R93-Q95 VanDerWaalsContact C-N 3.31Å; R93-Q95 PolarHBondContact O-N 3.3Å; Q95-E97 PolarHBondContact O-N 2.83Å; Q95-K98 PolarHBondContact O-N 3.4Å; Q95-I99 HydrophobicContact CB-CD1 4Å; Q95-I99 VanDerWaalsContact O-CB 3.31Å; Q95-I99 WeakPolarHBondContact O-CB 3.49Å; Q95-I99 VanDerWaalsContact O-CG1 3.31Å; Q95-I99 WeakPolarHBondContact O-CG1 3.36Å; Q95-I99 PolarHBondContact O-N 2.83Å
96D98.7Very high98.1Very high0 Ų034.8 Ų34.80%018%0.176CC..Hα-helixtrans-60.3-33.3177.8-59.6-29.1000112.5M92 R93 P100 G114 A117 R121M92-D96 PolarHBondContact O-N 3.38Å; R93-D96 WeakPolarHBondContact CA-OD2 3.48Å; R93-D96 WeakPolarHBondContact O-CB 3.32Å; R93-D96 PolarHBondContact O-N 2.83Å; D96-P100 WeakPolarHBondContact O-CD 3.37Å; D96-P100 VanDerWaalsContact O-CG 3.27Å; D96-P100 WeakPolarHBondContact O-CG 3.31Å; D96-G114 VanDerWaalsContact O-CA 3.24Å; D96-G114 WeakPolarHBondContact O-CA 3.27Å; D96-A117 WeakPolarHBondContact OD1-CB 3.34Å; D96-R121 IonicContact OD1-CZ 2.83Å; D96-R121 IonicContact OD1-NH1 2.84Å; D96-R121 PolarHBondContact OD1-NH1 3.44Å; D96-R121 IonicContact OD1-NH2 3.82Å; D96-R121 IonicContact OD2-CZ 3.3Å; D96-R121 IonicContact OD2-NH1 3.8Å; D96-R121 PolarHBondContact OD2-NH1 3.15Å; D96-R121 IonicContact OD2-NH2 2.83Å; D96-R121 PolarHBondContact OD2-NH2 3.35Å
97E98.7Very high98.1Very high5 Ų532.8 Ų32.82%0.02317%0.172CC..Hα-helixtrans-84.4-44.2178.3-67.3172.1-17800111.1R93 E94 Q95 L101 G107 T282 R283 A284R93-E97 IonicContact CZ-OE1 3.48Å; R93-E97 IonicContact NE-OE1 2.68Å; R93-E97 PolarHBondContact NE-OE1 2.93Å; R93-E97 IonicContact NH2-OE1 3.64Å; R93-E97 PolarHBondContact NH2-OE1 3.25Å; R93-E97 VanDerWaalsContact NH2-OE1 3.16Å; R93-E97 WeakPolarHBondContact O-CG 3.45Å; R93-E97 PolarHBondContact O-N 3.02Å; E94-E97 PolarHBondContact O-N 3.07Å; Q95-E97 PolarHBondContact O-N 2.83Å; E97-L101 VanDerWaalsContact O-CD1 3.31Å; E97-L101 WeakPolarHBondContact O-CD1 3.4Å; E97-L101 VanDerWaalsContact O-CG 3.24Å; E97-L101 WeakPolarHBondContact O-CG 3.31Å; E97-G107 VanDerWaalsContact O-CA 3.31Å; E97-G107 WeakPolarHBondContact O-CA 3.3Å; E97-T282 HydrophobicContact CB-CG2 3.85Å; E97-T282 WeakPolarHBondContact OE2-CB 3.28Å; E97-T282 PolarHBondContact OE2-OG1 2.81Å; E97-R283 PolarHBondContact OE2-N 3.27Å; E97-A284 WeakPolarHBondContact OE2-CB 3.29Å; E97-A284 PolarHBondContact OE2-N 3.35Å
98K98.6Very high98.2Very high37 Ų3732 Ų3216%0.16117%0.166CC..Hα-helixtrans-75.4-41.6-175.1-70.4-170.7171.3179.70113.9E94 Q95 L101 R102 P279 E280 T282 N285E94-K98 HydrophobicContact CG-CD 3.75Å; E94-K98 HydrophobicContact CG-CG 4.17Å; E94-K98 VanDerWaalsContact O-CB 3.3Å; E94-K98 WeakPolarHBondContact O-CB 3.36Å; E94-K98 VanDerWaalsContact O-CG 3.29Å; E94-K98 WeakPolarHBondContact O-CG 3.22Å; E94-K98 PolarHBondContact O-N 2.83Å; E94-K98 VanDerWaalsContact OE1-CE 3.25Å; E94-K98 WeakPolarHBondContact OE1-CE 3.19Å; E94-K98 IonicContact OE1-NZ 3.05Å; E94-K98 PolarHBondContact OE1-NZ 2.97Å; Q95-K98 PolarHBondContact O-N 3.4Å; K98-L101 PolarHBondContact O-N 3.11Å; K98-R102 WeakPolarHBondContact O-CG 3.45Å; K98-R102 PolarHBondContact O-N 2.84Å; K98-R102 VanDerWaalsContact O-N 3.11Å; K98-P279 WeakPolarHBondContact CE-O 3.34Å; K98-P279 WeakPolarHBondContact CG-O 3.4Å; K98-E280 VanDerWaalsContact CE-O 3.25Å; K98-E280 WeakPolarHBondContact CE-O 3.41Å; K98-E280 PolarHBondContact NZ-O 3.23Å; K98-T282 HydrophobicContact CD-CG2 4.48Å; K98-T282 HydrophobicContact CG-CG2 3.52Å; K98-N285 WeakPolarHBondContact CE-OD1 3.44Å
99I98.6Very high98.2Very high2 Ų232.5 Ų32.51%0.0117%0.165CC..Hα-helixtrans-58.5-53.1-175.3-69.7167.7000110.9Q95 L101 R102 H103 D427 L428 A431Q95-I99 HydrophobicContact CB-CD1 4Å; Q95-I99 VanDerWaalsContact O-CB 3.31Å; Q95-I99 WeakPolarHBondContact O-CB 3.49Å; Q95-I99 VanDerWaalsContact O-CG1 3.31Å; Q95-I99 WeakPolarHBondContact O-CG1 3.36Å; Q95-I99 PolarHBondContact O-N 2.83Å; I99-L101 VanDerWaalsContact C-N 3.34Å; I99-L101 PolarHBondContact O-N 3.46Å; I99-R102 PolarHBondContact O-N 3.33Å; I99-H103 PolarHBondContact O-CD2 3.19Å; I99-H103 VanDerWaalsContact O-CD2 3.26Å; I99-D427 HydrophobicContact CG2-CB 3.63Å; I99-L428 HydrophobicContact CB-CD2 4.21Å; I99-L428 HydrophobicContact CD1-CD2 3.95Å; I99-L428 HydrophobicContact CG2-CD2 4.07Å; I99-L428 HydrophobicContact CG2-CG 4.17Å; I99-A431 HydrophobicContact CD1-CB 3.63Å
100P98.6Very high98.2Very high0 Ų029.3 Ų29.30%015%0.153CC..Hα-helixtrans-63.8-37.5179.4-22.536.4000112.9D96 R102 H103 G104 V105 L106 P113D96-P100 WeakPolarHBondContact O-CD 3.37Å; D96-P100 VanDerWaalsContact O-CG 3.27Å; D96-P100 WeakPolarHBondContact O-CG 3.31Å; P100-R102 VanDerWaalsContact C-N 3.28Å; P100-R102 PolarHBondContact O-N 3.34Å; P100-H103 CarbonylContact O-C 3.01Å; P100-H103 WeakPolarHBondContact O-CA 3.28Å; P100-H103 WeakPolarHBondContact O-CB 3.37Å; P100-H103 PolarHBondContact O-N 3.47Å; P100-G104 PolarHBondContact O-N 2.86Å; P100-V105 CarbonylContact C-O 3.37Å; P100-V105 HydrophobicContact CB-CB 4.27Å; P100-V105 HydrophobicContact CB-CG1 4.2Å; P100-V105 PolarHBondContact O-N 3.39Å; P100-V105 VanDerWaalsContact O-O 3.1Å; P100-L106 VanDerWaalsContact CB-O 3.23Å; P100-L106 WeakPolarHBondContact CB-O 3.12Å; P100-P113 HydrophobicContact CB-CB 4.36Å; P100-P113 HydrophobicContact CB-CG 4.38Å; P100-P113 HydrophobicContact CG-CB 3.92Å; P100-P113 HydrophobicContact CG-CG 4.46Å
101L98.3Very high98.3Very high15 Ų1528.9 Ų28.98%0.07915%0.151CC..Hα-helixtrans-60.8-35.5178.5-75.9173.1000112.4E97 K98 I99 H103 G104 V105 V274 P279 T282E97-L101 VanDerWaalsContact O-CD1 3.31Å; E97-L101 WeakPolarHBondContact O-CD1 3.4Å; E97-L101 VanDerWaalsContact O-CG 3.24Å; E97-L101 WeakPolarHBondContact O-CG 3.31Å; K98-L101 PolarHBondContact O-N 3.11Å; I99-L101 VanDerWaalsContact C-N 3.34Å; I99-L101 PolarHBondContact O-N 3.46Å; L101-H103 PolarHBondContact O-N 2.96Å; L101-G104 PolarHBondContact O-N 3.13Å; L101-V105 VanDerWaalsContact CA-O 3.31Å; L101-V105 WeakPolarHBondContact CA-O 3.37Å; L101-V105 PolarHBondContact N-O 3.45Å; L101-V274 HydrophobicContact CD2-CG1 4.47Å; L101-V274 HydrophobicContact CD2-CG2 4.5Å; L101-P279 HydrophobicContact CB-CB 4.24Å; L101-P279 HydrophobicContact CB-CG 4.44Å; L101-T282 HydrophobicContact CD1-CG2 4Å
102R97.3Very high98.4Very high162 Ų16225.7 Ų25.761%0.61113%0.131SC*.Hα-helixtrans-63-24.4173.8-68.1-171.6-56.2-159.85.9113.3K98 I99 P100K98-R102 WeakPolarHBondContact O-CG 3.45Å; K98-R102 PolarHBondContact O-N 2.84Å; K98-R102 VanDerWaalsContact O-N 3.11Å; I99-R102 PolarHBondContact O-N 3.33Å; P100-R102 VanDerWaalsContact C-N 3.28Å; P100-R102 PolarHBondContact O-N 3.34Å
103H97.7Very high98.4Very high64 Ų6425 Ų2530%0.29613%0.128SC..THydrogen-bonded Turntrans-94.19.4175.4-66.6-80.5000112.9I99 P100 L101 V105 V420 I424 D427I99-H103 PolarHBondContact O-CD2 3.19Å; I99-H103 VanDerWaalsContact O-CD2 3.26Å; P100-H103 CarbonylContact O-C 3.01Å; P100-H103 WeakPolarHBondContact O-CA 3.28Å; P100-H103 WeakPolarHBondContact O-CB 3.37Å; P100-H103 PolarHBondContact O-N 3.47Å; L101-H103 PolarHBondContact O-N 2.96Å; H103-V105 VanDerWaalsContact C-N 3.26Å; H103-V105 PolarHBondContact O-N 2.83Å; H103-V420 HydrophobicContact CB-CG1 4.33Å; H103-I424 HydrophobicContact CB-CD1 3.91Å; H103-I424 HydrophobicContact CB-CG1 3.73Å; H103-I424 VanDerWaalsContact CD2-CG1 3.5Å; H103-I424 WeakPolarHBondContact CD2-CG1 3.46Å; H103-D427 IonicContact CD2-OD2 3.6Å; H103-D427 IonicContact CE1-OD2 2.9Å; H103-D427 IonicContact NE2-OD2 3.38Å; H103-D427 PolarHBondContact NE2-OD2 3.27Å
104G97.5Very high98.4Very high51 Ų5124.3 Ų24.353%0.52613%0.125SC..THydrogen-bonded Turntrans69.922.2-177.300000113.6P100 L101P100-G104 PolarHBondContact O-N 2.86Å; L101-G104 PolarHBondContact O-N 3.13Å
105V98.5Very high98.4Very high2 Ų222.5 Ų22.51%0.01212%0.117CC..SBendtrans-114.1153.9-178.4171.10000109.8P100 L101 H103 G107 P113 V274 V415 P416 V420 I424P100-V105 CarbonylContact C-O 3.37Å; P100-V105 HydrophobicContact CB-CB 4.27Å; P100-V105 HydrophobicContact CB-CG1 4.2Å; P100-V105 PolarHBondContact O-N 3.39Å; P100-V105 VanDerWaalsContact O-O 3.1Å; L101-V105 VanDerWaalsContact CA-O 3.31Å; L101-V105 WeakPolarHBondContact CA-O 3.37Å; L101-V105 PolarHBondContact N-O 3.45Å; H103-V105 VanDerWaalsContact C-N 3.26Å; H103-V105 PolarHBondContact O-N 2.83Å; V105-G107 PolarHBondContact O-N 3.38Å; V105-P113 HydrophobicContact CG1-CG 3.84Å; V105-V274 VanDerWaalsContact C-CG2 3.47Å; V105-V415 HydrophobicContact CG1-CG2 4.08Å; V105-P416 HydrophobicContact CG2-CG 4.42Å; V105-V420 HydrophobicContact CG2-CG1 3.72Å; V105-I424 HydrophobicContact CB-CD1 3.81Å; V105-I424 HydrophobicContact CG1-CD1 3.99Å; V105-I424 HydrophobicContact CG2-CD1 3.78Å
106L98Very high98.4Very high1 Ų119.5 Ų19.51%0.00510%0.103CC..  trans-52.1122.9176.617671.3000111.9P100 Q108 C111 Y266 V273 V274 T414P100-L106 VanDerWaalsContact CB-O 3.23Å; P100-L106 WeakPolarHBondContact CB-O 3.12Å; L106-Q108 HydrophobicContact CD1-CB 4.12Å; L106-Q108 HydrophobicContact CD2-CB 4.14Å; L106-Q108 HydrophobicContact CG-CB 3.99Å; L106-C111 HydrophobicContact CD2-CB 4.16Å; L106-Y266 HydrophobicContact CD1-CD1 3.61Å; L106-Y266 HydrophobicContact CD1-CE1 4.16Å; L106-Y266 HydrophobicContact CD1-CG 4.49Å; L106-Y266 HydrophobicContact CD2-CD1 3.94Å; L106-Y266 HydrophobicContact CD2-CG 3.99Å; L106-Y266 HydrophobicContact CG-CD1 4.42Å; L106-V273 HydrophobicContact CD1-CB 4.08Å; L106-V273 HydrophobicContact CD1-CG1 3.4Å; L106-V274 HydrophobicContact CB-CG2 4.48Å; L106-T414 HydrophobicContact CB-CG2 4.48Å; L106-T414 HydrophobicContact CD2-CG2 3.82Å
107G98.3Very high98.4Very high10 Ų1019.5 Ų19.510%0.10310%0.103CC..  trans-103.9113.6164.600000111E97 V105E97-G107 VanDerWaalsContact O-CA 3.31Å; E97-G107 WeakPolarHBondContact O-CA 3.3Å; V105-G107 PolarHBondContact O-N 3.38Å
108Q98.5Very high98.4Very high16 Ų1619.4 Ų19.48%0.07510%0.103CC..  trans-152.9148.9-176.1-152.3-81.9-5.600109.6L106 T110 C111 G114 G115 Y263 Y266L106-Q108 HydrophobicContact CD1-CB 4.12Å; L106-Q108 HydrophobicContact CD2-CB 4.14Å; L106-Q108 HydrophobicContact CG-CB 3.99Å; Q108-T110 PolarHBondContact O-N 3.38Å; Q108-T110 PolarHBondContact OE1-OG1 2.94Å; Q108-C111 HydrophobicContact CB-CB 4.33Å; Q108-G114 CarbonylContact O-C 3.12Å; Q108-G114 WeakPolarHBondContact O-CA 3.39Å; Q108-G115 PolarHBondContact O-N 2.82Å; Q108-G115 VanDerWaalsContact O-N 3.12Å; Q108-Y263 VanDerWaalsContact NE2-CE1 3.33Å; Q108-Y266 HydrophobicContact CG-CD1 4.24Å; Q108-Y266 HydrophobicContact CG-CD2 4.42Å; Q108-Y266 HydrophobicContact CG-CE1 3.78Å; Q108-Y266 HydrophobicContact CG-CE2 3.99Å; Q108-Y266 PolarHBondContact NE2-OH 3.09Å
109E98.3Very high98.4Very high19 Ų1917.6 Ų17.69%0.08910%0.095CC..SBendtrans-54.9-43.3-175.8-178.2-174-177.700115.9R86 R93 G115 Y118R86-E109 IonicContact CZ-OE1 3.27Å; R86-E109 IonicContact NH1-OE1 3.88Å; R86-E109 PolarHBondContact NH1-OE1 2.79Å; R86-E109 IonicContact NH2-OE1 2.66Å; R86-E109 PolarHBondContact NH2-OE1 2.97Å; R93-E109 HydrophobicContact CG-CG 4.49Å; R93-E109 IonicContact CZ-OE2 2.61Å; R93-E109 IonicContact NH1-OE1 2.78Å; R93-E109 IonicContact NH1-OE2 3.53Å; R93-E109 PolarHBondContact NH1-OE2 3.48Å; R93-E109 IonicContact NH2-OE2 3.72Å; R93-E109 PolarHBondContact NH2-OE2 3.35Å; E109-G115 WeakPolarHBondContact O-CA 3.43Å; E109-Y118 HydrophobicContact CG-CD1 4.13Å; E109-Y118 HydrophobicContact CG-CE1 4.23Å; E109-Y118 WeakPolarHBondContact O-CD1 3.3Å
110T98.6Very high98.5Very high14 Ų1417.6 Ų17.69%0.08610%0.095CC..SBendtrans-125.6-8.6-170.560.40000113.5Q108 G115 N147 P148 H200 Y263Q108-T110 PolarHBondContact O-N 3.38Å; Q108-T110 PolarHBondContact OE1-OG1 2.94Å; T110-G115 VanDerWaalsContact C-CA 3.44Å; T110-N147 HydrophobicContact CG2-CB 3.77Å; T110-P148 HydrophobicContact CG2-CB 4.2Å; T110-H200 PolarHBondContact OG1-CE1 3.23Å; T110-H200 PolarHBondContact OG1-ND1 2.78Å; T110-H200 VanDerWaalsContact OG1-ND1 3.07Å; T110-Y263 WeakPolarHBondContact OG1-CE1 3.49Å
111C98.7Very high98.5Very high1 Ų117.8 Ų17.81%0.00710%0.095CC..SBendtrans-117.2150.5179.4-66.60000111.7L106 Q108 G115 Y263 Y266 Y267L106-C111 HydrophobicContact CD2-CB 4.16Å; Q108-C111 HydrophobicContact CB-CB 4.33Å; C111-G115 PolarHBondContact O-N 3.42Å; C111-Y263 VanDerWaalsContact SG-CD1 3.57Å; C111-Y266 HydrophobicContact CB-CD2 4.24Å; C111-Y266 HydrophobicContact CB-CG 4.4Å; C111-Y267 HydrophobicContact CB-CE2 4.29Å; C111-Y267 PolarHBondContact SG-OH 2.8Å
112G98.6Very high98.5Very high5 Ų517 Ų175%0.0529%0.092CC..Hα-helixtrans65-159.7179.500000113.6G114 G115 I116 T414G112-G114 VanDerWaalsContact C-N 3.28Å; G112-G114 PolarHBondContact O-N 2.93Å; G112-G115 PolarHBondContact O-N 3.42Å; G112-G115 VanDerWaalsContact O-N 3.17Å; G112-I116 WeakPolarHBondContact O-CG1 3.41Å; G112-I116 PolarHBondContact O-N 2.89Å; G112-T414 WeakPolarHBondContact CA-OG1 3.24Å
113P98.8Very high98.6Very high0 Ų09.4 Ų9.40%06%0.063CC..Hα-helixtrans-61.7-32.2-176.2-23.333.4000114.2P100 V105 I116 A117 I409 V415 I424 L428P100-P113 HydrophobicContact CB-CB 4.36Å; P100-P113 HydrophobicContact CB-CG 4.38Å; P100-P113 HydrophobicContact CG-CB 3.92Å; P100-P113 HydrophobicContact CG-CG 4.46Å; V105-P113 HydrophobicContact CG1-CG 3.84Å; P113-I116 PolarHBondContact O-N 3.38Å; P113-A117 WeakPolarHBondContact O-CB 3.37Å; P113-A117 PolarHBondContact O-N 3.42Å; P113-I409 HydrophobicContact CG-CG2 4.26Å; P113-V415 HydrophobicContact CG-CG2 3.65Å; P113-I424 HydrophobicContact CB-CG2 3.63Å; P113-I424 HydrophobicContact CG-CD1 4.26Å; P113-I424 HydrophobicContact CG-CG2 4.18Å; P113-L428 HydrophobicContact CB-CD1 4.23Å
114G98.8Very high98.6Very high0 Ų07.7 Ų7.70%06%0.062CC..Hα-helixtrans-63.9-45.1174.200000112.3D96 Q108 G112 I116 A117 Y118D96-G114 VanDerWaalsContact O-CA 3.24Å; D96-G114 WeakPolarHBondContact O-CA 3.27Å; Q108-G114 CarbonylContact O-C 3.12Å; Q108-G114 WeakPolarHBondContact O-CA 3.39Å; G112-G114 VanDerWaalsContact C-N 3.28Å; G112-G114 PolarHBondContact O-N 2.93Å; G114-I116 PolarHBondContact O-N 3.46Å; G114-A117 WeakPolarHBondContact O-CB 3.3Å; G114-A117 PolarHBondContact O-N 2.88Å; G114-Y118 PolarHBondContact O-N 2.96Å
115G98.8Very high98.6Very high1 Ų15.8 Ų5.81%0.014%0.043CC..Hα-helixtrans-59.7-43.6171.400000113.6Q108 E109 T110 C111 G112 A117 Y118 G119 P148Q108-G115 PolarHBondContact O-N 2.82Å; Q108-G115 VanDerWaalsContact O-N 3.12Å; E109-G115 WeakPolarHBondContact O-CA 3.43Å; T110-G115 VanDerWaalsContact C-CA 3.44Å; C111-G115 PolarHBondContact O-N 3.42Å; G112-G115 PolarHBondContact O-N 3.42Å; G112-G115 VanDerWaalsContact O-N 3.17Å; G115-A117 VanDerWaalsContact C-N 3.32Å; G115-A117 PolarHBondContact O-N 3.49Å; G115-Y118 PolarHBondContact O-N 3.24Å; G115-G119 PolarHBondContact O-N 3.33Å; G115-P148 WeakPolarHBondContact O-CG 3.49Å
116I98.9Very high98.6Very high5 Ų55.7 Ų5.73%0.0264%0.042CC..Hα-helixtrans-59.3-45.7175.2-68.9168.9000110.6G112 P113 G114 G119 M120 V389 V393 L405 I409G112-I116 WeakPolarHBondContact O-CG1 3.41Å; G112-I116 PolarHBondContact O-N 2.89Å; P113-I116 PolarHBondContact O-N 3.38Å; G114-I116 PolarHBondContact O-N 3.46Å; I116-G119 PolarHBondContact O-N 2.93Å; I116-M120 PolarHBondContact O-N 3.38Å; I116-V389 HydrophobicContact CD1-CG1 3.71Å; I116-V389 HydrophobicContact CG1-CG1 4.12Å; I116-V393 HydrophobicContact CB-CG2 4.26Å; I116-V393 HydrophobicContact CG1-CG2 3.96Å; I116-V393 HydrophobicContact CG2-CG1 4.4Å; I116-V393 HydrophobicContact CG2-CG2 3.65Å; I116-L405 HydrophobicContact CG2-CD1 3.64Å; I116-I409 HydrophobicContact CD1-CB 4.49Å; I116-I409 HydrophobicContact CD1-CG1 3.86Å; I116-I409 HydrophobicContact CG2-CG1 4.17Å
117A98.9Very high98.6Very high0 Ų06 Ų60%04%0.044CC..Hα-helixtrans-63.3-43.7-179.800000112.8D96 P113 G114 G115 G119 M120 R121 L428 W436D96-A117 WeakPolarHBondContact OD1-CB 3.34Å; P113-A117 WeakPolarHBondContact O-CB 3.37Å; P113-A117 PolarHBondContact O-N 3.42Å; G114-A117 WeakPolarHBondContact O-CB 3.3Å; G114-A117 PolarHBondContact O-N 2.88Å; G115-A117 VanDerWaalsContact C-N 3.32Å; G115-A117 PolarHBondContact O-N 3.49Å; A117-G119 VanDerWaalsContact C-N 3.35Å; A117-M120 PolarHBondContact O-N 3.04Å; A117-R121 PolarHBondContact O-N 3.16Å; A117-L428 HydrophobicContact CB-CD1 4.09Å; A117-L428 HydrophobicContact CB-CD2 3.82Å; A117-L428 HydrophobicContact CB-CG 4.46Å; A117-W436 VanDerWaalsContact CA-CZ2 3.48Å; A117-W436 HydrophobicContact CB-CH2 4.39Å; A117-W436 HydrophobicContact CB-CZ2 3.65Å; A117-W436 PolarHBondContact O-NE1 3.01Å; A117-W436 VanDerWaalsContact O-NE1 3.12Å
118Y98.9Very high98.6Very high2 Ų29.2 Ų9.21%0.0086%0.056CC..Hα-helixtrans-64-41.9174.5-175.4-152.3000111.4I85 R86 E109 G114 G115 M120 R121 S122 N147 P148I85-Y118 PolarHBondContact O-OH 3.34Å; R86-Y118 WeakPolarHBondContact CA-OH 3.29Å; R86-Y118 HydrophobicContact CG-CE2 3.97Å; E109-Y118 HydrophobicContact CG-CD1 4.13Å; E109-Y118 HydrophobicContact CG-CE1 4.23Å; E109-Y118 WeakPolarHBondContact O-CD1 3.3Å; G114-Y118 PolarHBondContact O-N 2.96Å; G115-Y118 PolarHBondContact O-N 3.24Å; Y118-M120 PolarHBondContact O-N 3.16Å; Y118-R121 WeakPolarHBondContact O-CB 3.22Å; Y118-R121 PolarHBondContact O-N 3.2Å; Y118-R121 VanDerWaalsContact O-N 3.08Å; Y118-S122 WeakPolarHBondContact CD2-OG 3.16Å; Y118-S122 WeakPolarHBondContact CE2-OG 3.39Å; Y118-S122 PolarHBondContact O-N 2.89Å; Y118-S122 PolarHBondContact O-OG 2.66Å; Y118-N147 HydrophobicContact CD1-CB 4.42Å; Y118-N147 VanDerWaalsContact CE1-C 3.46Å; Y118-N147 HydrophobicContact CE1-CB 3.64Å; Y118-N147 WeakPolarHBondContact CE1-O 3.36Å; Y118-N147 PolarHBondContact OH-O 3.26Å; Y118-P148 HydrophobicContact CD1-CG 3.93Å; Y118-P148 HydrophobicContact CG-CG 4.31Å
119G98.8Very high98.7Very high0 Ų08.6 Ų8.60%05%0.054CC..Hα-helixtrans-54.8-48.2174.400000113G115 I116 A117 R121 S122 I123G115-G119 PolarHBondContact O-N 3.33Å; I116-G119 PolarHBondContact O-N 2.93Å; A117-G119 VanDerWaalsContact C-N 3.35Å; G119-R121 PolarHBondContact O-N 3.38Å; G119-S122 PolarHBondContact O-N 3.45Å; G119-S122 VanDerWaalsContact O-N 3.09Å; G119-I123 WeakPolarHBondContact O-CG1 3.3Å; G119-I123 PolarHBondContact O-N 3.36Å; G119-I123 VanDerWaalsContact O-N 3.07Å
120M98.8Very high98.7Very high1 Ų17.7 Ų7.71%0.0055%0.049CC..Hα-helixtrans-57-34.9176.3-76.1-63.6-73.200113.2I116 A117 Y118 V393 W397 L405 W436 P437 L439I116-M120 PolarHBondContact O-N 3.38Å; A117-M120 PolarHBondContact O-N 3.04Å; Y118-M120 PolarHBondContact O-N 3.16Å; M120-V393 HydrophobicContact CG-CG1 3.9Å; M120-V393 HydrophobicContact SD-CG1 3.73Å; M120-W397 HydrophobicContact CE-CB 4.14Å; M120-W397 HydrophobicContact CE-CG 4.46Å; M120-W397 PolarHBondContact O-NE1 2.97Å; M120-W397 HydrophobicContact SD-CB 3.83Å; M120-W397 HydrophobicContact SD-CG 4.36Å; M120-L405 HydrophobicContact CE-CD2 4.16Å; M120-L405 HydrophobicContact CG-CD1 4.06Å; M120-L405 HydrophobicContact CG-CD2 4.15Å; M120-L405 HydrophobicContact SD-CD1 4.14Å; M120-L405 HydrophobicContact SD-CD2 4.41Å; M120-W436 HydrophobicContact CB-CD2 3.89Å; M120-W436 HydrophobicContact CB-CG 4.01Å; M120-W436 HydrophobicContact CB-CZ2 4.1Å; M120-W436 VanDerWaalsContact CB-NE1 3.26Å; M120-W436 HydrophobicContact CG-CD2 4.38Å; M120-W436 HydrophobicContact CG-CZ2 4.4Å; M120-P437 HydrophobicContact CE-CG 4Å; M120-L439 HydrophobicContact CE-CD2 4.04Å
121R98.8Very high98.7Very high4 Ų410 Ų102%0.0156%0.061CC..Hα-helixtrans-75.7-40.9173.8-62.3-163.8-62.7-79.3-4.3112.5V87 D96 A117 Y118 G119 N432 Y435V87-R121 HydrophobicContact CB-CB 3.94Å; V87-R121 HydrophobicContact CG1-CB 3.87Å; V87-R121 PolarHBondContact O-NE 3.47Å; D96-R121 IonicContact OD1-CZ 2.83Å; D96-R121 IonicContact OD1-NH1 2.84Å; D96-R121 PolarHBondContact OD1-NH1 3.44Å; D96-R121 IonicContact OD1-NH2 3.82Å; D96-R121 IonicContact OD2-CZ 3.3Å; D96-R121 IonicContact OD2-NH1 3.8Å; D96-R121 PolarHBondContact OD2-NH1 3.15Å; D96-R121 IonicContact OD2-NH2 2.83Å; D96-R121 PolarHBondContact OD2-NH2 3.35Å; A117-R121 PolarHBondContact O-N 3.16Å; Y118-R121 WeakPolarHBondContact O-CB 3.22Å; Y118-R121 PolarHBondContact O-N 3.2Å; Y118-R121 VanDerWaalsContact O-N 3.08Å; G119-R121 PolarHBondContact O-N 3.38Å; R121-N432 WeakPolarHBondContact CD-OD1 3.12Å; R121-N432 WeakPolarHBondContact CG-OD1 3.47Å; R121-N432 PolarHBondContact NH1-OD1 3.11Å; R121-Y435 HydrophobicContact CG-CG 4.33Å
122S98.8Very high98.7Very high0 Ų012.3 Ų12.30%07%0.07CC..Hα-helixtrans-70.8-32.8-172.9-68.50000113.8Y118 G119 G124 G125 V126 N147Y118-S122 WeakPolarHBondContact CD2-OG 3.16Å; Y118-S122 WeakPolarHBondContact CE2-OG 3.39Å; Y118-S122 PolarHBondContact O-N 2.89Å; Y118-S122 PolarHBondContact O-OG 2.66Å; G119-S122 PolarHBondContact O-N 3.45Å; G119-S122 VanDerWaalsContact O-N 3.09Å; S122-G124 PolarHBondContact O-N 2.85Å; S122-G125 PolarHBondContact O-N 2.98Å; S122-V126 WeakPolarHBondContact O-CG2 3.42Å; S122-V126 PolarHBondContact O-N 2.88Å; S122-N147 WeakPolarHBondContact CB-O 3.49Å; S122-N147 PolarHBondContact OG-O 2.93Å
123I98.7Very high98.7Very high1 Ų112.2 Ų12.21%0.0057%0.068CC..Hα-helixtrans-53.2-53.5-178.5-68.3165000110.8G119 G125 V126 L127 I151 A155 L159 V394 W397G119-I123 WeakPolarHBondContact O-CG1 3.3Å; G119-I123 PolarHBondContact O-N 3.36Å; G119-I123 VanDerWaalsContact O-N 3.07Å; I123-G125 PolarHBondContact O-N 3.08Å; I123-V126 PolarHBondContact O-N 2.81Å; I123-L127 HydrophobicContact CG2-CD1 3.72Å; I123-L127 HydrophobicContact CG2-CG 4.29Å; I123-L127 WeakPolarHBondContact O-CB 3.47Å; I123-L127 WeakPolarHBondContact O-CG 3.37Å; I123-L127 PolarHBondContact O-N 2.78Å; I123-I151 HydrophobicContact CD1-CG2 3.92Å; I123-I151 HydrophobicContact CG1-CG2 4.19Å; I123-A155 HydrophobicContact CB-CB 4.34Å; I123-A155 HydrophobicContact CD1-CB 4.13Å; I123-A155 HydrophobicContact CG1-CB 3.71Å; I123-A155 HydrophobicContact CG2-CB 3.8Å; I123-L159 HydrophobicContact CG2-CD1 4.46Å; I123-V394 HydrophobicContact CD1-CG2 4.27Å; I123-W397 HydrophobicContact CB-CD2 4.16Å; I123-W397 HydrophobicContact CB-CG 4.23Å; I123-W397 HydrophobicContact CB-CZ2 4.48Å; I123-W397 HydrophobicContact CD1-CB 3.82Å; I123-W397 HydrophobicContact CD1-CD2 4.39Å; I123-W397 HydrophobicContact CD1-CG 3.76Å; I123-W397 HydrophobicContact CG2-CD2 3.53Å; I123-W397 HydrophobicContact CG2-CE3 3.8Å; I123-W397 HydrophobicContact CG2-CG 4.04Å; I123-W397 HydrophobicContact CG2-CH2 4.06Å; I123-W397 HydrophobicContact CG2-CZ2 3.8Å; I123-W397 HydrophobicContact CG2-CZ3 4.06Å
124G97.8Very high98.7Very high28 Ų2815.8 Ų15.829%0.2899%0.085SC..Hα-helixtrans-61.1-46.5-178.600000112.8S122 V126 L127 E128S122-G124 PolarHBondContact O-N 2.85Å; G124-V126 PolarHBondContact O-N 2.66Å; G124-L127 PolarHBondContact O-N 3.34Å; G124-E128 WeakPolarHBondContact O-CB 3.39Å; G124-E128 PolarHBondContact O-N 2.55Å
125G98.3Very high98.7Very high11 Ų1122.5 Ų22.511%0.11311%0.114CC..Hα-helixtrans-62.7-40.8179.800000113.1I85 S122 I123 L129I85-G125 VanDerWaalsContact CD1-C 3.49Å; S122-G125 PolarHBondContact O-N 2.98Å; I123-G125 PolarHBondContact O-N 3.08Å; G125-L129 WeakPolarHBondContact O-CG 3.3Å; G125-L129 PolarHBondContact O-N 3.01Å
126V98.7Very high98.7Very high0 Ų025 Ų250%012%0.124CC..Hα-helixtrans-72.4-41.2179.4174.50000111.4I85 S122 I123 G124 E128 L129 V130 M142 V152 T156 I165I85-V126 HydrophobicContact CD1-CG2 4.15Å; I85-V126 HydrophobicContact CG1-CG2 4.41Å; S122-V126 WeakPolarHBondContact O-CG2 3.42Å; S122-V126 PolarHBondContact O-N 2.88Å; I123-V126 PolarHBondContact O-N 2.81Å; G124-V126 PolarHBondContact O-N 2.66Å; V126-E128 VanDerWaalsContact C-N 3.28Å; V126-E128 PolarHBondContact O-N 3.06Å; V126-L129 PolarHBondContact O-N 3.35Å; V126-V130 HydrophobicContact CG1-CG2 4.48Å; V126-V130 WeakPolarHBondContact O-CG2 3.14Å; V126-V130 PolarHBondContact O-N 3.37Å; V126-M142 HydrophobicContact CG1-CE 4.09Å; V126-V152 HydrophobicContact CB-CG1 3.93Å; V126-V152 HydrophobicContact CG1-CG1 3.66Å; V126-V152 HydrophobicContact CG2-CG1 3.86Å; V126-V152 HydrophobicContact CG2-CG2 4.42Å; V126-T156 HydrophobicContact CG1-CG2 4.13Å; V126-I165 HydrophobicContact CG1-CD1 3.95Å
127L98.7Very high98.7Very high9 Ų925.3 Ų25.35%0.04713%0.126CC..Hα-helixtrans-60.4-39.1175.8-67.8176.9000111.8I123 G124 L129 V130 D131 T156 L159 R160 W397I123-L127 HydrophobicContact CG2-CD1 3.72Å; I123-L127 HydrophobicContact CG2-CG 4.29Å; I123-L127 WeakPolarHBondContact O-CB 3.47Å; I123-L127 WeakPolarHBondContact O-CG 3.37Å; I123-L127 PolarHBondContact O-N 2.78Å; G124-L127 PolarHBondContact O-N 3.34Å; L127-L129 PolarHBondContact O-N 3.21Å; L127-V130 PolarHBondContact O-N 3.41Å; L127-D131 PolarHBondContact O-N 2.98Å; L127-T156 HydrophobicContact CD2-CG2 4.23Å; L127-L159 HydrophobicContact CD1-CB 4.33Å; L127-L159 HydrophobicContact CD1-CD1 3.64Å; L127-L159 HydrophobicContact CD2-CB 4.15Å; L127-R160 HydrophobicContact CD2-CG 3.69Å; L127-W397 HydrophobicContact CD1-CH2 3.8Å; L127-W397 HydrophobicContact CD1-CZ2 4.5Å; L127-W397 HydrophobicContact CD1-CZ3 4.06Å
128E98.5Very high98.6Very high76 Ų7629.6 Ų29.636%0.35515%0.154SC..Hα-helixtrans-59.9-44.6175.1-176-174.6-161.900112G124 V126 D131 Y132G124-E128 WeakPolarHBondContact O-CB 3.39Å; G124-E128 PolarHBondContact O-N 2.55Å; V126-E128 VanDerWaalsContact C-N 3.28Å; V126-E128 PolarHBondContact O-N 3.06Å; E128-D131 PolarHBondContact O-N 3.36Å; E128-Y132 HydrophobicContact CG-CD2 4.13Å; E128-Y132 HydrophobicContact CG-CE1 4.46Å; E128-Y132 HydrophobicContact CG-CE2 3.42Å; E128-Y132 VanDerWaalsContact CG-CE2 3.42Å; E128-Y132 WeakPolarHBondContact O-CD2 3.31Å; E128-Y132 PolarHBondContact O-N 2.76Å; E128-Y132 PolarHBondContact OE1-OH 3.26Å
129L98.7Very high98.5Very high4 Ų435.7 Ų35.72%0.02119%0.187CC..Hα-helixtrans-65.2-39.3176.4-61.4-178.4000112.5A9 Y38 F75 A83 I85 G125 V126 L127 D131 Y132 M133 M142A9-L129 HydrophobicContact CB-CD1 3.64Å; A9-L129 HydrophobicContact CB-CD2 4.1Å; A9-L129 HydrophobicContact CB-CG 4.46Å; Y38-L129 HydrophobicContact CD1-CD2 3.89Å; Y38-L129 HydrophobicContact CE1-CD2 3.59Å; F75-L129 HydrophobicContact CE2-CD2 4.45Å; F75-L129 HydrophobicContact CZ-CD2 3.91Å; A83-L129 HydrophobicContact CB-CD1 4.13Å; I85-L129 HydrophobicContact CD1-CD1 3.92Å; I85-L129 HydrophobicContact CD1-CG 4.5Å; I85-L129 HydrophobicContact CG1-CD1 4.2Å; I85-L129 HydrophobicContact CG2-CD1 3.84Å; G125-L129 WeakPolarHBondContact O-CG 3.3Å; G125-L129 PolarHBondContact O-N 3.01Å; V126-L129 PolarHBondContact O-N 3.35Å; L127-L129 PolarHBondContact O-N 3.21Å; L129-D131 VanDerWaalsContact C-N 3.31Å; L129-Y132 PolarHBondContact O-N 3.49Å; L129-M133 WeakPolarHBondContact O-CB 3.23Å; L129-M133 PolarHBondContact O-N 2.97Å; L129-M142 HydrophobicContact CB-CE 3.77Å; L129-M142 HydrophobicContact CB-SD 4.46Å; L129-M142 HydrophobicContact CD1-CE 3.87Å; L129-M142 HydrophobicContact CG-CE 4.49Å
130V98.7Very high98.5Very high0 Ų035.8 Ų35.80%019%0.187CC..Hα-helixtrans-59.8-45.3174171.50000110V126 L127 Y132 M133 E134 M142 R160 A163 I165V126-V130 HydrophobicContact CG1-CG2 4.48Å; V126-V130 WeakPolarHBondContact O-CG2 3.14Å; V126-V130 PolarHBondContact O-N 3.37Å; L127-V130 PolarHBondContact O-N 3.41Å; V130-Y132 PolarHBondContact O-N 2.93Å; V130-M133 WeakPolarHBondContact O-CB 3.5Å; V130-M133 PolarHBondContact O-N 3.39Å; V130-E134 HydrophobicContact CG1-CG 4.36Å; V130-E134 WeakPolarHBondContact O-CG 3.38Å; V130-E134 PolarHBondContact O-N 3.21Å; V130-M142 HydrophobicContact CG2-SD 3.62Å; V130-R160 HydrophobicContact CG1-CB 4.25Å; V130-R160 HydrophobicContact CG1-CG 3.96Å; V130-A163 HydrophobicContact CG1-CB 3.59Å; V130-I165 HydrophobicContact CG2-CD1 3.84Å
131D98.7Very high98.5Very high61 Ų6137.2 Ų37.233%0.32619%0.193SC..Hα-helixtrans-63.8-40.4179.6-67.9-15.1000112.1L127 E128 L129 K135 R160L127-D131 PolarHBondContact O-N 2.98Å; E128-D131 PolarHBondContact O-N 3.36Å; L129-D131 VanDerWaalsContact C-N 3.31Å; D131-K135 WeakPolarHBondContact O-CB 3.45Å; D131-K135 PolarHBondContact O-N 2.88Å; D131-R160 IonicContact OD1-CZ 2.81Å; D131-R160 IonicContact OD1-NE 3.12Å; D131-R160 PolarHBondContact OD1-NE 2.88Å; D131-R160 IonicContact OD1-NH2 2.79Å; D131-R160 PolarHBondContact OD1-NH2 3.35Å; D131-R160 IonicContact OD2-CZ 3.74Å; D131-R160 IonicContact OD2-NH2 2.74Å; D131-R160 PolarHBondContact OD2-NH2 3.37Å
132Y98.7Very high98.5Very high51 Ų5137 Ų3720%0.219%0.192CC..Hα-helixtrans-63.9-43.9173-64.6-32.8000112.1Y38 P71 F75 E128 L129 V130 K135 Y136Y38-Y132 WeakPolarHBondContact OH-CE2 3.44Å; P71-Y132 HydrophobicContact CB-CD1 3.7Å; P71-Y132 HydrophobicContact CB-CD2 3.78Å; P71-Y132 HydrophobicContact CB-CE1 3.74Å; P71-Y132 HydrophobicContact CB-CE2 3.83Å; P71-Y132 HydrophobicContact CB-CG 3.73Å; P71-Y132 HydrophobicContact CG-CD1 4.32Å; P71-Y132 HydrophobicContact CG-CD2 4.14Å; P71-Y132 HydrophobicContact CG-CE1 3.85Å; P71-Y132 HydrophobicContact CG-CE2 3.66Å; P71-Y132 HydrophobicContact CG-CG 4.46Å; F75-Y132 HydrophobicContact CD2-CD2 4.42Å; F75-Y132 HydrophobicContact CD2-CG 4.39Å; F75-Y132 HydrophobicContact CE2-CD2 4.1Å; F75-Y132 HydrophobicContact CE2-CG 4.47Å; E128-Y132 HydrophobicContact CG-CD2 4.13Å; E128-Y132 HydrophobicContact CG-CE1 4.46Å; E128-Y132 HydrophobicContact CG-CE2 3.42Å; E128-Y132 VanDerWaalsContact CG-CE2 3.42Å; E128-Y132 WeakPolarHBondContact O-CD2 3.31Å; E128-Y132 PolarHBondContact O-N 2.76Å; E128-Y132 PolarHBondContact OE1-OH 3.26Å; L129-Y132 PolarHBondContact O-N 3.49Å; V130-Y132 PolarHBondContact O-N 2.93Å; Y132-K135 PolarHBondContact O-N 2.9Å; Y132-Y136 HydrophobicContact CD1-CE2 4.34Å; Y132-Y136 WeakPolarHBondContact O-CD2 3.4Å; Y132-Y136 PolarHBondContact O-N 3.07Å
133M98.7Very high98.5Very high3 Ų337 Ų372%0.01519%0.192CC..Hα-helixtrans-59.9-51.5176.7-177.7-175.667.700111.3F75 V81 L129 V130 K135 Y136 S137 A140 M142F75-M133 HydrophobicContact CD1-CB 4.17Å; F75-M133 HydrophobicContact CE1-CB 4.49Å; V81-M133 HydrophobicContact CB-SD 4.24Å; V81-M133 HydrophobicContact CG2-CB 4.1Å; V81-M133 HydrophobicContact CG2-CG 3.73Å; V81-M133 HydrophobicContact CG2-SD 3.68Å; L129-M133 WeakPolarHBondContact O-CB 3.23Å; L129-M133 PolarHBondContact O-N 2.97Å; V130-M133 WeakPolarHBondContact O-CB 3.5Å; V130-M133 PolarHBondContact O-N 3.39Å; M133-K135 VanDerWaalsContact C-N 3.28Å; M133-K135 PolarHBondContact O-N 3.4Å; M133-Y136 PolarHBondContact O-N 3.09Å; M133-S137 CarbonylContact O-C 3.49Å; M133-S137 WeakPolarHBondContact O-CA 3.35Å; M133-S137 PolarHBondContact O-N 2.87Å; M133-S137 VanDerWaalsContact O-O 3.13Å; M133-A140 HydrophobicContact CG-CB 3.85Å; M133-A140 HydrophobicContact SD-CB 3.93Å; M133-M142 HydrophobicContact CE-CB 3.9Å; M133-M142 HydrophobicContact SD-CB 3.67Å
134E98.5Very high98.4Very high74 Ų7437 Ų3735%0.34619%0.192SC..Hα-helixtrans-62.8-35.9-179.4-70.9-170.9147.800112.1V130 P138 A163V130-E134 HydrophobicContact CG1-CG 4.36Å; V130-E134 WeakPolarHBondContact O-CG 3.38Å; V130-E134 PolarHBondContact O-N 3.21Å; E134-P138 WeakPolarHBondContact O-CB 3.35Å; E134-A163 WeakPolarHBondContact OE1-CA 3.45Å; E134-A163 WeakPolarHBondContact OE1-CB 3.34Å
135K98.6Very high98.3Very high142 Ų14237.2 Ų37.262%0.61718%0.184SC*.Hα-helixtrans-69-43.3179.1-178176.2179.5-170.80113.5D131 Y132 M133D131-K135 WeakPolarHBondContact O-CB 3.45Å; D131-K135 PolarHBondContact O-N 2.88Å; Y132-K135 PolarHBondContact O-N 2.9Å; M133-K135 VanDerWaalsContact C-N 3.28Å; M133-K135 PolarHBondContact O-N 3.4Å
136Y98.8Very high98.2Very high53 Ų5336.7 Ų36.721%0.20818%0.179CC..Hα-helixtrans-106.5-21.9-169.5-61.5-66.6000114P71 Q72 F75 Y132 M133P71-Y136 HydrophobicContact CB-CE2 4.3Å; Q72-Y136 HydrophobicContact CB-CD1 4.3Å; Q72-Y136 HydrophobicContact CB-CE1 3.67Å; Q72-Y136 HydrophobicContact CB-CE2 4.27Å; Q72-Y136 HydrophobicContact CG-CD1 3.95Å; Q72-Y136 HydrophobicContact CG-CE1 3.54Å; F75-Y136 HydrophobicContact CB-CD2 3.97Å; F75-Y136 HydrophobicContact CB-CG 4.35Å; F75-Y136 CarbonylContact O-C 3.59Å; F75-Y136 WeakPolarHBondContact O-CB 3.45Å; Y132-Y136 HydrophobicContact CD1-CE2 4.34Å; Y132-Y136 WeakPolarHBondContact O-CD2 3.4Å; Y132-Y136 PolarHBondContact O-N 3.07Å; M133-Y136 PolarHBondContact O-N 3.09Å
137S98.7Very high98.1Very high12 Ų1238.1 Ų38.18%0.08419%0.187CC..  trans-147.470.6176.3-670000111.4F75 D77 V78 M133 N139 A140F75-S137 WeakPolarHBondContact O-CB 3.47Å; F75-S137 PolarHBondContact O-OG 3.24Å; D77-S137 PolarHBondContact N-OG 2.87Å; D77-S137 VanDerWaalsContact N-OG 3.12Å; V78-S137 WeakPolarHBondContact CG2-OG 3.49Å; V78-S137 PolarHBondContact N-OG 3.36Å; V78-S137 VanDerWaalsContact N-OG 3.11Å; M133-S137 CarbonylContact O-C 3.49Å; M133-S137 WeakPolarHBondContact O-CA 3.35Å; M133-S137 PolarHBondContact O-N 2.87Å; M133-S137 VanDerWaalsContact O-O 3.13Å; S137-N139 PolarHBondContact O-N 3.06Å; S137-A140 VanDerWaalsContact O-CB 3.3Å; S137-A140 WeakPolarHBondContact O-CB 3.34Å; S137-A140 PolarHBondContact O-N 2.81Å
138P97.8Very high98.1Very high90 Ų9037.8 Ų37.858%0.58419%0.185SC*.THydrogen-bonded Turntrans-60.8-11.9-172.322.7-34.8000115.7E134E134-P138 WeakPolarHBondContact O-CB 3.35Å
139N96.9Very high98.1Very high129 Ų12934.2 Ų34.269%0.6917%0.168SC*.THydrogen-bonded Turntrans-98.2-7.8177.8-69.8-46.9000114.1S137S137-N139 PolarHBondContact O-N 3.06Å
140A98.5Very high98.1Very high2 Ų234.4 Ų34.42%0.01717%0.171CC..  trans-68157-178.200000112V78 D79 M133 S137 K164V78-A140 HydrophobicContact CG2-CB 4.12Å; V78-A140 WeakPolarHBondContact O-CB 3.46Å; D79-A140 VanDerWaalsContact O-CA 3.27Å; D79-A140 WeakPolarHBondContact O-CA 3.27Å; M133-A140 HydrophobicContact CG-CB 3.85Å; M133-A140 HydrophobicContact SD-CB 3.93Å; S137-A140 VanDerWaalsContact O-CB 3.3Å; S137-A140 WeakPolarHBondContact O-CB 3.34Å; S137-A140 PolarHBondContact O-N 2.81Å; A140-K164 WeakPolarHBondContact O-CB 3.36Å
141W98.6Very high98.2Very high31 Ų3134.8 Ų34.812%0.11717%0.173CC..EExtended strand (participates in β ladder)trans-105133170.2-7892.9000110.8D79 F80 V81 K164 L166 I329D79-W141 PolarHBondContact O-N 3.02Å; D79-W141 VanDerWaalsContact O-N 3.09Å; F80-W141 CarbonylContact C-O 3.5Å; F80-W141 VanDerWaalsContact CA-O 3.3Å; F80-W141 WeakPolarHBondContact CA-O 3.48Å; F80-W141 HydrophobicContact CD1-CB 3.83Å; F80-W141 HydrophobicContact CE1-CB 4.01Å; V81-W141 PolarHBondContact N-O 3.23Å; W141-K164 CarbonylContact C-O 3.5Å; W141-K164 WeakPolarHBondContact CA-O 3.3Å; W141-K164 HydrophobicContact CD2-CB 3.86Å; W141-K164 HydrophobicContact CD2-CD 4.27Å; W141-K164 HydrophobicContact CD2-CG 4.32Å; W141-K164 HydrophobicContact CE3-CB 3.7Å; W141-K164 HydrophobicContact CE3-CG 4.36Å; W141-K164 HydrophobicContact CG-CB 4.38Å; W141-K164 HydrophobicContact CH2-CB 4.43Å; W141-K164 HydrophobicContact CH2-CG 4.27Å; W141-K164 HydrophobicContact CZ2-CD 4.24Å; W141-K164 HydrophobicContact CZ2-CG 4.25Å; W141-K164 HydrophobicContact CZ3-CB 4Å; W141-K164 HydrophobicContact CZ3-CG 4.33Å; W141-L166 HydrophobicContact CE3-CD1 4.33Å; W141-L166 HydrophobicContact CE3-CG 4.16Å; W141-L166 HydrophobicContact CZ3-CD1 4.29Å; W141-L166 HydrophobicContact CZ3-CD2 4.2Å; W141-L166 HydrophobicContact CZ3-CG 4.04Å; W141-I329 HydrophobicContact CD2-CD1 4.29Å; W141-I329 HydrophobicContact CD2-CG2 4.34Å; W141-I329 HydrophobicContact CE3-CD1 4.47Å; W141-I329 HydrophobicContact CG-CD1 4.37Å; W141-I329 HydrophobicContact CG-CG2 4.06Å
142M98.7Very high98.2Very high0 Ų032 Ų320%016%0.158CC..EExtended strand (participates in β ladder)trans-95119.2170.3-173.6173.7-178.400110.5V81 A83 V126 L129 V130 M133 N144 K164 I165 L166V81-M142 HydrophobicContact CB-CB 4.22Å; V81-M142 HydrophobicContact CB-CG 4.16Å; V81-M142 HydrophobicContact CG1-CG 4.09Å; V81-M142 CarbonylContact O-C 3.47Å; V81-M142 WeakPolarHBondContact O-CA 3.06Å; A83-M142 HydrophobicContact CB-CE 3.29Å; A83-M142 HydrophobicContact CB-CG 4.4Å; V126-M142 HydrophobicContact CG1-CE 4.09Å; L129-M142 HydrophobicContact CB-CE 3.77Å; L129-M142 HydrophobicContact CB-SD 4.46Å; L129-M142 HydrophobicContact CD1-CE 3.87Å; L129-M142 HydrophobicContact CG-CE 4.49Å; V130-M142 HydrophobicContact CG2-SD 3.62Å; M133-M142 HydrophobicContact CE-CB 3.9Å; M133-M142 HydrophobicContact SD-CB 3.67Å; M142-N144 HydrophobicContact CE-CB 4.31Å; M142-N144 HydrophobicContact CG-CB 4.41Å; M142-K164 PolarHBondContact N-O 3.2Å; M142-I165 HydrophobicContact CB-CB 4.18Å; M142-I165 HydrophobicContact CB-CG1 4.07Å; M142-I165 HydrophobicContact CE-CD1 4.37Å; M142-I165 HydrophobicContact CG-CD1 4.24Å; M142-I165 HydrophobicContact CG-CG1 4.12Å; M142-I165 CarbonylContact O-C 3.5Å; M142-I165 WeakPolarHBondContact O-CA 3.26Å; M142-I165 HydrophobicContact SD-CD1 3.7Å; M142-I165 HydrophobicContact SD-CG1 4.19Å; M142-L166 PolarHBondContact O-N 3.44Å
143L98.1Very high98.2Very high0 Ų029.5 Ų29.50%015%0.148CC..EExtended strand (participates in β ladder)trans-101.999.8173.4-48.6-174.1000107.4F80 V81 A83 L166 I168 I322 L325 A326 I329F80-L143 HydrophobicContact CD1-CD1 4.16Å; F80-L143 HydrophobicContact CD1-CG 4.34Å; V81-L143 PolarHBondContact O-N 2.67Å; A83-L143 PolarHBondContact N-O 2.94Å; L143-L166 HydrophobicContact CD2-CB 4.45Å; L143-L166 HydrophobicContact CD2-CD1 4.39Å; L143-I168 HydrophobicContact CB-CD1 4.13Å; L143-I322 HydrophobicContact CB-CD1 4.12Å; L143-I322 HydrophobicContact CB-CG1 3.98Å; L143-I322 HydrophobicContact CD1-CG1 3.81Å; L143-L325 HydrophobicContact CD1-CD2 4.34Å; L143-L325 HydrophobicContact CD1-CG 4.22Å; L143-L325 HydrophobicContact CD2-CD2 3.81Å; L143-L325 HydrophobicContact CD2-CG 3.98Å; L143-L325 HydrophobicContact CG-CD2 4.45Å; L143-A326 HydrophobicContact CD1-CB 3.81Å; L143-I329 HydrophobicContact CD2-CD1 3.9Å
144N98.1Very high98.2Very high0 Ų029.5 Ų29.50%015%0.148CC..EExtended strand (participates in β ladder)trans-103.1113.4-168.2-179.859.6000112.8M142 S146 I165 L166 N167 I168M142-N144 HydrophobicContact CE-CB 4.31Å; M142-N144 HydrophobicContact CG-CB 4.41Å; N144-S146 PolarHBondContact ND2-O 3.46Å; N144-S146 WeakPolarHBondContact OD1-CB 3.48Å; N144-S146 PolarHBondContact OD1-N 3.42Å; N144-S146 VanDerWaalsContact OD1-N 3.11Å; N144-S146 PolarHBondContact OD1-OG 3.4Å; N144-I165 HydrophobicContact CB-CD1 4.03Å; N144-I165 HydrophobicContact CB-CG1 4.16Å; N144-L166 PolarHBondContact N-O 3.33Å; N144-N167 PolarHBondContact ND2-OD1 3.24Å; N144-N167 WeakPolarHBondContact O-CA 3.46Å; N144-I168 WeakPolarHBondContact O-CG1 3.07Å; N144-I168 PolarHBondContact O-N 3.4Å
145Y94.3Very high98.2Very high33 Ų3326 Ų2613%0.12913%0.132CC..  trans-96.4-2.2167.1-76.5-96.9000112.9A83 N147 I168 D170 H318 Y321 I322A83-Y145 PolarHBondContact O-N 3.35Å; Y145-N147 PolarHBondContact O-N 2.9Å; Y145-I168 HydrophobicContact CD1-CG1 4.19Å; Y145-I168 HydrophobicContact CD2-CD1 3.59Å; Y145-I168 HydrophobicContact CD2-CG1 3.63Å; Y145-I168 HydrophobicContact CE1-CD1 4.35Å; Y145-I168 HydrophobicContact CE1-CG1 4.1Å; Y145-I168 HydrophobicContact CE2-CD1 3.04Å; Y145-I168 HydrophobicContact CE2-CG1 3.49Å; Y145-I168 VanDerWaalsContact CE2-CG1 3.49Å; Y145-I168 HydrophobicContact CG-CD1 4.41Å; Y145-I168 HydrophobicContact CG-CG1 3.99Å; Y145-D170 HydrophobicContact CE1-CB 4.42Å; Y145-H318 PolarHBondContact OH-O 2.81Å; Y145-Y321 WeakPolarHBondContact OH-CB 3.41Å; Y145-Y321 VanDerWaalsContact OH-CD1 3.26Å; Y145-Y321 WeakPolarHBondContact OH-CD1 3.42Å; Y145-I322 HydrophobicContact CD2-CD1 3.89Å; Y145-I322 HydrophobicContact CD2-CG1 4.49Å; Y145-I322 HydrophobicContact CE2-CB 3.66Å; Y145-I322 HydrophobicContact CE2-CD1 3.56Å; Y145-I322 HydrophobicContact CE2-CG1 3.7Å; Y145-I322 PolarHBondContact OH-N 3.01Å; Y145-I322 VanDerWaalsContact OH-N 3.16Å
146S96.8Very high98.2Very high1 Ų119.5 Ų19.51%0.00710%0.104CC..  trans-63.8112.6-179.1-43.40000109.4A83 H84 I85 N144A83-S146 PolarHBondContact O-N 3.12Å; A83-S146 PolarHBondContact O-OG 3.35Å; H84-S146 WeakPolarHBondContact CA-OG 3.48Å; I85-S146 WeakPolarHBondContact CG1-OG 3.39Å; I85-S146 PolarHBondContact N-OG 3.18Å; N144-S146 PolarHBondContact ND2-O 3.46Å; N144-S146 WeakPolarHBondContact OD1-CB 3.48Å; N144-S146 PolarHBondContact OD1-N 3.42Å; N144-S146 VanDerWaalsContact OD1-N 3.11Å; N144-S146 PolarHBondContact OD1-OG 3.4Å
147N98Very high98.2Very high29 Ų2919.7 Ų19.716%0.15510%0.104CC..SBendtrans-81.3165.8-175.6-93.9-54.4000112.8T110 Y118 S122 Y145 A149T110-N147 HydrophobicContact CG2-CB 3.77Å; Y118-N147 HydrophobicContact CD1-CB 4.42Å; Y118-N147 VanDerWaalsContact CE1-C 3.46Å; Y118-N147 HydrophobicContact CE1-CB 3.64Å; Y118-N147 WeakPolarHBondContact CE1-O 3.36Å; Y118-N147 PolarHBondContact OH-O 3.26Å; S122-N147 WeakPolarHBondContact CB-O 3.49Å; S122-N147 PolarHBondContact OG-O 2.93Å; Y145-N147 PolarHBondContact O-N 2.9Å; N147-A149 PolarHBondContact OD1-N 3.07Å; N147-A149 VanDerWaalsContact OD1-N 3.1Å
148P98.6Very high98.1Very high3 Ų322.2 Ų22.22%0.01911%0.112CC..  cis-73.9120.2-10.4-9.626.5000110.8T110 G115 Y118 A150 I151 V152T110-P148 HydrophobicContact CG2-CB 4.2Å; G115-P148 WeakPolarHBondContact O-CG 3.49Å; Y118-P148 HydrophobicContact CD1-CG 3.93Å; Y118-P148 HydrophobicContact CG-CG 4.31Å; P148-A150 VanDerWaalsContact C-N 3.26Å; P148-A150 PolarHBondContact O-N 3.34Å; P148-I151 HydrophobicContact CB-CD1 4.48Å; P148-I151 HydrophobicContact CG-CD1 4.35Å; P148-I151 PolarHBondContact O-N 3.48Å; P148-V152 WeakPolarHBondContact O-CG2 3.28Å; P148-V152 PolarHBondContact O-N 3.44Å; P148-V152 VanDerWaalsContact O-N 3.07Å
149A98.5Very high98.1Very high0 Ų019.8 Ų19.80%09%0.094CC..Hα-helixtrans-63.1-29.9-168.800000113.3N147 A153 I340N147-A149 PolarHBondContact OD1-N 3.07Å; N147-A149 VanDerWaalsContact OD1-N 3.1Å; A149-A153 WeakPolarHBondContact O-CB 3.03Å; A149-A153 PolarHBondContact O-N 3.03Å; A149-I340 HydrophobicContact CB-CD1 3.55Å
150A98.8Very high98.2Very high9 Ų917 Ų177%0.0747%0.074CC..Hα-helixtrans-59.8-51.5174.100000113P148 A153 E154 N199 E390P148-A150 VanDerWaalsContact C-N 3.26Å; P148-A150 PolarHBondContact O-N 3.34Å; A150-A153 PolarHBondContact O-N 3.3Å; A150-E154 PolarHBondContact O-N 3.37Å; A150-E154 VanDerWaalsContact O-N 3.08Å; A150-N199 HydrophobicContact CB-CB 4.11Å; A150-E390 HydrophobicContact CB-CG 4.18Å
151I98.9Very high98.1Very high8 Ų821.2 Ų21.24%0.04110%0.101CC..Hα-helixtrans-68.8-43.7-178.4-65.3170.7000110.3I123 P148 A153 E154 A155 E390 V393 V394I123-I151 HydrophobicContact CD1-CG2 3.92Å; I123-I151 HydrophobicContact CG1-CG2 4.19Å; P148-I151 HydrophobicContact CB-CD1 4.48Å; P148-I151 HydrophobicContact CG-CD1 4.35Å; P148-I151 PolarHBondContact O-N 3.48Å; I151-A153 VanDerWaalsContact C-N 3.33Å; I151-A153 PolarHBondContact O-N 2.69Å; I151-E154 PolarHBondContact O-N 2.73Å; I151-A155 WeakPolarHBondContact O-CB 3.45Å; I151-A155 PolarHBondContact O-N 3.49Å; I151-E390 HydrophobicContact CG1-CB 4.33Å; I151-E390 HydrophobicContact CG1-CG 4.06Å; I151-V393 HydrophobicContact CD1-CG1 4.3Å; I151-V393 HydrophobicContact CD1-CG2 4.36Å; I151-V393 HydrophobicContact CG2-CB 4.43Å; I151-V393 HydrophobicContact CG2-CG1 3.95Å; I151-V394 HydrophobicContact CG2-CG2 4.24Å
152V98.8Very high98Very high1 Ų126.8 Ų26.81%0.00613%0.133CC..Hα-helixtrans-62.9-41.8178.21740000110.8V126 P148 A155 T156V126-V152 HydrophobicContact CB-CG1 3.93Å; V126-V152 HydrophobicContact CG1-CG1 3.66Å; V126-V152 HydrophobicContact CG2-CG1 3.86Å; V126-V152 HydrophobicContact CG2-CG2 4.42Å; P148-V152 WeakPolarHBondContact O-CG2 3.28Å; P148-V152 PolarHBondContact O-N 3.44Å; P148-V152 VanDerWaalsContact O-N 3.07Å; V152-A155 PolarHBondContact O-N 3.39Å; V152-T156 HydrophobicContact CG1-CG2 4.3Å; V152-T156 WeakPolarHBondContact O-CG2 3.3Å; V152-T156 PolarHBondContact O-N 2.92Å; V152-T156 PolarHBondContact O-OG1 3.35Å
153A98.8Very high98Very high0 Ų027.6 Ų27.60%014%0.139CC..Hα-helixtrans-63-42.5176.900000112.5A149 A150 I151 A155 T156 R157 N167 I340 M355A149-A153 WeakPolarHBondContact O-CB 3.03Å; A149-A153 PolarHBondContact O-N 3.03Å; A150-A153 PolarHBondContact O-N 3.3Å; I151-A153 VanDerWaalsContact C-N 3.33Å; I151-A153 PolarHBondContact O-N 2.69Å; A153-A155 VanDerWaalsContact C-N 3.33Å; A153-T156 PolarHBondContact O-N 2.85Å; A153-T156 PolarHBondContact O-OG1 3.23Å; A153-R157 VanDerWaalsContact O-CB 3.28Å; A153-R157 WeakPolarHBondContact O-CB 3.19Å; A153-R157 PolarHBondContact O-N 3.38Å; A153-N167 WeakPolarHBondContact CA-ND2 3.39Å; A153-N167 HydrophobicContact CB-CB 3.92Å; A153-I340 HydrophobicContact CB-CG2 3.68Å; A153-M355 HydrophobicContact CB-CB 4.12Å; A153-M355 HydrophobicContact CB-CE 3.8Å; A153-M355 HydrophobicContact CB-CG 3.94Å
154E98.9Very high98Very high3 Ų331.2 Ų31.21%0.01416%0.155CC..Hα-helixtrans-64.4-40175.217861.9179.300111.4A150 I151 R157 R158 K391 V394A150-E154 PolarHBondContact O-N 3.37Å; A150-E154 VanDerWaalsContact O-N 3.08Å; I151-E154 PolarHBondContact O-N 2.73Å; E154-R157 IonicContact OE1-CZ 2.79Å; E154-R157 IonicContact OE1-NE 3.16Å; E154-R157 IonicContact OE1-NH2 3.27Å; E154-R157 PolarHBondContact OE1-NH2 3.38Å; E154-R157 IonicContact OE2-CZ 3.85Å; E154-R157 IonicContact OE2-NE 3.66Å; E154-R157 PolarHBondContact OE2-NE 3.22Å; E154-R157 IonicContact OE2-NH2 3.14Å; E154-R157 PolarHBondContact OE2-NH2 2.84Å; E154-R158 WeakPolarHBondContact O-CG 3.12Å; E154-R158 PolarHBondContact O-N 3.3Å; E154-R158 VanDerWaalsContact O-N 3.17Å; E154-R158 IonicContact OE1-CZ 2.71Å; E154-R158 IonicContact OE1-NE 3.18Å; E154-R158 PolarHBondContact OE1-NE 3.47Å; E154-R158 IonicContact OE1-NH2 2.85Å; E154-R158 PolarHBondContact OE1-NH2 3.19Å; E154-K391 HydrophobicContact CG-CG 4.24Å; E154-K391 WeakPolarHBondContact OE1-CG 3.43Å; E154-K391 IonicContact OE1-NZ 2.73Å; E154-K391 PolarHBondContact OE1-NZ 3.12Å; E154-K391 IonicContact OE2-NZ 3.01Å; E154-V394 HydrophobicContact CB-CG2 4.01Å; E154-V394 HydrophobicContact CG-CB 4.22Å; E154-V394 HydrophobicContact CG-CG2 3.78Å
155A98.8Very high98Very high1 Ų132.2 Ų32.21%0.00816%0.16CC..Hα-helixtrans-64.7-44.8176.800000112.2I123 I151 V152 A153 R158 L159 V394I123-A155 HydrophobicContact CB-CB 4.34Å; I123-A155 HydrophobicContact CD1-CB 4.13Å; I123-A155 HydrophobicContact CG1-CB 3.71Å; I123-A155 HydrophobicContact CG2-CB 3.8Å; I151-A155 WeakPolarHBondContact O-CB 3.45Å; I151-A155 PolarHBondContact O-N 3.49Å; V152-A155 PolarHBondContact O-N 3.39Å; A153-A155 VanDerWaalsContact C-N 3.33Å; A155-R158 PolarHBondContact O-N 3.27Å; A155-L159 VanDerWaalsContact O-CB 3.27Å; A155-L159 WeakPolarHBondContact O-CB 3.35Å; A155-L159 WeakPolarHBondContact O-CG 3.4Å; A155-L159 PolarHBondContact O-N 3.19Å; A155-V394 HydrophobicContact CB-CG1 4.2Å; A155-V394 HydrophobicContact CB-CG2 4.02Å
156T98.6Very high98.2Very high5 Ų531.1 Ų31.13%0.03116%0.157CC..Hα-helixtrans-70.6-36.5-180610000111.4V126 L127 V152 A153 R158 R160 I165 N167V126-T156 HydrophobicContact CG1-CG2 4.13Å; L127-T156 HydrophobicContact CD2-CG2 4.23Å; V152-T156 HydrophobicContact CG1-CG2 4.3Å; V152-T156 WeakPolarHBondContact O-CG2 3.3Å; V152-T156 PolarHBondContact O-N 2.92Å; V152-T156 PolarHBondContact O-OG1 3.35Å; A153-T156 PolarHBondContact O-N 2.85Å; A153-T156 PolarHBondContact O-OG1 3.23Å; T156-R158 VanDerWaalsContact C-N 3.29Å; T156-R158 PolarHBondContact O-N 3.08Å; T156-R160 CarbonylContact O-C 3.55Å; T156-R160 VanDerWaalsContact O-CA 3.31Å; T156-R160 WeakPolarHBondContact O-CA 3.44Å; T156-R160 PolarHBondContact O-N 3.29Å; T156-I165 HydrophobicContact CG2-CD1 3.96Å; T156-N167 PolarHBondContact OG1-ND2 2.96Å
157R98.2Very high98.2Very high57 Ų5731.2 Ų31.222%0.21516%0.157CC..Hα-helixtrans-56.4-42.6172.5-173.7-162.865.689.3-14112A153 E154 P161 P342 D353 M355A153-R157 VanDerWaalsContact O-CB 3.28Å; A153-R157 WeakPolarHBondContact O-CB 3.19Å; A153-R157 PolarHBondContact O-N 3.38Å; E154-R157 IonicContact OE1-CZ 2.79Å; E154-R157 IonicContact OE1-NE 3.16Å; E154-R157 IonicContact OE1-NH2 3.27Å; E154-R157 PolarHBondContact OE1-NH2 3.38Å; E154-R157 IonicContact OE2-CZ 3.85Å; E154-R157 IonicContact OE2-NE 3.66Å; E154-R157 PolarHBondContact OE2-NE 3.22Å; E154-R157 IonicContact OE2-NH2 3.14Å; E154-R157 PolarHBondContact OE2-NH2 2.84Å; R157-P161 WeakPolarHBondContact O-CA 3.43Å; R157-P161 WeakPolarHBondContact O-CB 3.47Å; R157-P342 HydrophobicContact CG-CG 4.34Å; R157-D353 WeakPolarHBondContact CD-O 3.37Å; R157-D353 IonicContact CZ-OD2 3.43Å; R157-D353 PolarHBondContact NE-O 3.43Å; R157-D353 IonicContact NH1-OD2 3.08Å; R157-D353 PolarHBondContact NH2-O 2.71Å; R157-D353 IonicContact NH2-OD2 2.77Å; R157-D353 PolarHBondContact NH2-OD2 2.99Å; R157-M355 HydrophobicContact CB-CG 4.32Å; R157-M355 HydrophobicContact CB-SD 3.85Å; R157-M355 VanDerWaalsContact CD-SD 3.57Å; R157-M355 HydrophobicContact CG-SD 3.91Å
158R97.9Very high98.2Very high65 Ų6530 Ų3025%0.24515%0.15CC..Hα-helixtrans-80.1-48.1-179.2-68.6-172.6-170.2-1736.2113.4E154 A155 T156 D395E154-R158 WeakPolarHBondContact O-CG 3.12Å; E154-R158 PolarHBondContact O-N 3.3Å; E154-R158 VanDerWaalsContact O-N 3.17Å; E154-R158 IonicContact OE1-CZ 2.71Å; E154-R158 IonicContact OE1-NE 3.18Å; E154-R158 PolarHBondContact OE1-NE 3.47Å; E154-R158 IonicContact OE1-NH2 2.85Å; E154-R158 PolarHBondContact OE1-NH2 3.19Å; A155-R158 PolarHBondContact O-N 3.27Å; T156-R158 VanDerWaalsContact C-N 3.29Å; T156-R158 PolarHBondContact O-N 3.08Å; R158-D395 IonicContact CZ-OD1 2.97Å; R158-D395 IonicContact NH1-OD1 2.69Å; R158-D395 PolarHBondContact NH1-OD1 2.86Å; R158-D395 IonicContact NH2-OD1 2.86Å
159L98.3Very high98Very high38 Ų3830 Ų3020%0.19915%0.151CC..Hα-helixtrans-93.7-19.2-166.4-57.7173.5000112.8I123 L127 A155 W397 E398I123-L159 HydrophobicContact CG2-CD1 4.46Å; L127-L159 HydrophobicContact CD1-CB 4.33Å; L127-L159 HydrophobicContact CD1-CD1 3.64Å; L127-L159 HydrophobicContact CD2-CB 4.15Å; A155-L159 VanDerWaalsContact O-CB 3.27Å; A155-L159 WeakPolarHBondContact O-CB 3.35Å; A155-L159 WeakPolarHBondContact O-CG 3.4Å; A155-L159 PolarHBondContact O-N 3.19Å; L159-W397 HydrophobicContact CD1-CE3 4Å; L159-W397 HydrophobicContact CD1-CZ3 3.73Å; L159-E398 HydrophobicContact CD2-CG 4.34Å
160R98.2Very high97.8Very high71 Ų7131.5 Ų31.527%0.26816%0.159SC..  trans-139.357.5177.1-63.9-65.9-178.6-76.8-4.3111.1L127 V130 D131 T156 N162 A163L127-R160 HydrophobicContact CD2-CG 3.69Å; V130-R160 HydrophobicContact CG1-CB 4.25Å; V130-R160 HydrophobicContact CG1-CG 3.96Å; D131-R160 IonicContact OD1-CZ 2.81Å; D131-R160 IonicContact OD1-NE 3.12Å; D131-R160 PolarHBondContact OD1-NE 2.88Å; D131-R160 IonicContact OD1-NH2 2.79Å; D131-R160 PolarHBondContact OD1-NH2 3.35Å; D131-R160 IonicContact OD2-CZ 3.74Å; D131-R160 IonicContact OD2-NH2 2.74Å; D131-R160 PolarHBondContact OD2-NH2 3.37Å; T156-R160 CarbonylContact O-C 3.55Å; T156-R160 VanDerWaalsContact O-CA 3.31Å; T156-R160 WeakPolarHBondContact O-CA 3.44Å; T156-R160 PolarHBondContact O-N 3.29Å; R160-N162 PolarHBondContact O-N 2.78Å; R160-A163 HydrophobicContact CB-CB 3.85Å; R160-A163 WeakPolarHBondContact O-CB 3.42Å; R160-A163 PolarHBondContact O-N 2.97Å
161P97Very high97.6Very high91 Ų9131.7 Ų31.759%0.59116%0.158SC*.THydrogen-bonded Turntrans-61-19.2-170.124.6-35.7000115R157R157-P161 WeakPolarHBondContact O-CA 3.43Å; R157-P161 WeakPolarHBondContact O-CB 3.47Å
162N96.1Very high97.5Very high148 Ų14831.4 Ų31.479%0.79116%0.157SC*.THydrogen-bonded Turntrans-104.8-2.5-178.4-58.3-42.6000113.5R160R160-N162 PolarHBondContact O-N 2.78Å
163A97.6Very high97.2Very high16 Ų1632.8 Ų32.813%0.13216%0.164CC..SBendtrans-69.5139.2-178.200000110.8V130 E134 R160 I165V130-A163 HydrophobicContact CG1-CB 3.59Å; E134-A163 WeakPolarHBondContact OE1-CA 3.45Å; E134-A163 WeakPolarHBondContact OE1-CB 3.34Å; R160-A163 HydrophobicContact CB-CB 3.85Å; R160-A163 WeakPolarHBondContact O-CB 3.42Å; R160-A163 PolarHBondContact O-N 2.97Å; A163-I165 HydrophobicContact CB-CG2 4.12Å; A163-I165 PolarHBondContact O-N 2.95Å
164K98.1Very high97Very high77 Ų7734.1 Ų34.134%0.33518%0.178SC..  trans-77.765.8174.3-72.6-179.6176.9175.60111.1A140 W141 M142A140-K164 WeakPolarHBondContact O-CB 3.36Å; W141-K164 CarbonylContact C-O 3.5Å; W141-K164 WeakPolarHBondContact CA-O 3.3Å; W141-K164 HydrophobicContact CD2-CB 3.86Å; W141-K164 HydrophobicContact CD2-CD 4.27Å; W141-K164 HydrophobicContact CD2-CG 4.32Å; W141-K164 HydrophobicContact CE3-CB 3.7Å; W141-K164 HydrophobicContact CE3-CG 4.36Å; W141-K164 HydrophobicContact CG-CB 4.38Å; W141-K164 HydrophobicContact CH2-CB 4.43Å; W141-K164 HydrophobicContact CH2-CG 4.27Å; W141-K164 HydrophobicContact CZ2-CD 4.24Å; W141-K164 HydrophobicContact CZ2-CG 4.25Å; W141-K164 HydrophobicContact CZ3-CB 4Å; W141-K164 HydrophobicContact CZ3-CG 4.33Å; M142-K164 PolarHBondContact N-O 3.2Å
165I98.4Very high96.8Very high20 Ų2034 Ų3410%0.10318%0.177CC..EExtended strand (participates in β ladder)trans-116.8132.4179.4-176.5171.1000111V126 V130 M142 N144 T156 A163V126-I165 HydrophobicContact CG1-CD1 3.95Å; V130-I165 HydrophobicContact CG2-CD1 3.84Å; M142-I165 HydrophobicContact CB-CB 4.18Å; M142-I165 HydrophobicContact CB-CG1 4.07Å; M142-I165 HydrophobicContact CE-CD1 4.37Å; M142-I165 HydrophobicContact CG-CD1 4.24Å; M142-I165 HydrophobicContact CG-CG1 4.12Å; M142-I165 CarbonylContact O-C 3.5Å; M142-I165 WeakPolarHBondContact O-CA 3.26Å; M142-I165 HydrophobicContact SD-CD1 3.7Å; M142-I165 HydrophobicContact SD-CG1 4.19Å; N144-I165 HydrophobicContact CB-CD1 4.03Å; N144-I165 HydrophobicContact CB-CG1 4.16Å; T156-I165 HydrophobicContact CG2-CD1 3.96Å; A163-I165 HydrophobicContact CB-CG2 4.12Å; A163-I165 PolarHBondContact O-N 2.95Å
166L98.4Very high96.7Very high11 Ų1134 Ų346%0.05818%0.177CC..EExtended strand (participates in β ladder)trans-117.2116.2170.5-60.6-179.4000109.1W141 M142 L143 N144 L325 I329 P367W141-L166 HydrophobicContact CE3-CD1 4.33Å; W141-L166 HydrophobicContact CE3-CG 4.16Å; W141-L166 HydrophobicContact CZ3-CD1 4.29Å; W141-L166 HydrophobicContact CZ3-CD2 4.2Å; W141-L166 HydrophobicContact CZ3-CG 4.04Å; M142-L166 PolarHBondContact O-N 3.44Å; L143-L166 HydrophobicContact CD2-CB 4.45Å; L143-L166 HydrophobicContact CD2-CD1 4.39Å; N144-L166 PolarHBondContact N-O 3.33Å; L166-L325 HydrophobicContact CD1-CD1 3.93Å; L166-L325 HydrophobicContact CD1-CD2 4.32Å; L166-L325 HydrophobicContact CD1-CG 4.47Å; L166-I329 HydrophobicContact CD1-CD1 3.79Å; L166-P367 HydrophobicContact CD2-CG 3.76Å
167N98.4Very high96.5Very high3 Ų335 Ų352%0.01619%0.188CC..EExtended strand (participates in β ladder)trans-85.7131.7173.2-61.8-77.5000108.8N144 A153 T156 I340N144-N167 PolarHBondContact ND2-OD1 3.24Å; N144-N167 WeakPolarHBondContact O-CA 3.46Å; A153-N167 WeakPolarHBondContact CA-ND2 3.39Å; A153-N167 HydrophobicContact CB-CB 3.92Å; T156-N167 PolarHBondContact OG1-ND2 2.96Å; N167-I340 HydrophobicContact CB-CB 4.39Å; N167-I340 HydrophobicContact CB-CD1 4.12Å; N167-I340 WeakPolarHBondContact O-CB 3.49Å
168I96.8Very high96.3Very high2 Ų233.5 Ų33.51%0.0118%0.183CC..  trans-140.8161.6-168.454.1-172.3000112.6L143 N144 Y145 Y321 L325 L339L143-I168 HydrophobicContact CB-CD1 4.13Å; N144-I168 WeakPolarHBondContact O-CG1 3.07Å; N144-I168 PolarHBondContact O-N 3.4Å; Y145-I168 HydrophobicContact CD1-CG1 4.19Å; Y145-I168 HydrophobicContact CD2-CD1 3.59Å; Y145-I168 HydrophobicContact CD2-CG1 3.63Å; Y145-I168 HydrophobicContact CE1-CD1 4.35Å; Y145-I168 HydrophobicContact CE1-CG1 4.1Å; Y145-I168 HydrophobicContact CE2-CD1 3.04Å; Y145-I168 HydrophobicContact CE2-CG1 3.49Å; Y145-I168 VanDerWaalsContact CE2-CG1 3.49Å; Y145-I168 HydrophobicContact CG-CD1 4.41Å; Y145-I168 HydrophobicContact CG-CG1 3.99Å; I168-Y321 HydrophobicContact CB-CE1 3.98Å; I168-Y321 HydrophobicContact CG2-CE1 4.19Å; I168-L325 HydrophobicContact CD1-CD2 3.63Å; I168-L325 HydrophobicContact CG2-CD2 3.72Å; I168-L339 HydrophobicContact CG2-CD2 3.37Å
169C95.9Very high96.3Very high5 Ų530.4 Ų30.43%0.03417%0.171CC..  trans-145144.5-176.4179.80000110.5M171 N199 H200C169-M171 PolarHBondContact SG-N 3.07Å; C169-M171 VanDerWaalsContact SG-N 3.39Å; C169-N199 WeakPolarHBondContact CB-ND2 3.36Å; C169-N199 PolarHBondContact SG-ND2 3.12Å; C169-H200 PolarHBondContact SG-NE2 2.96Å; C169-H200 VanDerWaalsContact SG-NE2 3.36Å
170D93.4Very high96.2Very high30 Ų3028.8 Ų28.816%0.1616%0.163CC..SBendtrans-94.3-16.8179.949.516.1000113.3Y145 I173 G174 H318Y145-D170 HydrophobicContact CE1-CB 4.42Å; D170-I173 WeakPolarHBondContact O-CA 3.23Å; D170-I173 VanDerWaalsContact O-CB 3.32Å; D170-I173 WeakPolarHBondContact O-CB 3.45Å; D170-I173 PolarHBondContact O-N 3.29Å; D170-G174 PolarHBondContact O-N 3.42Å; D170-H318 HydrophobicContact CB-CB 4.04Å; D170-H318 WeakPolarHBondContact OD2-CB 3.49Å; D170-H318 IonicContact OD2-CD2 2.76Å; D170-H318 PolarHBondContact OD2-CD2 3.46Å; D170-H318 IonicContact OD2-CE1 3.16Å; D170-H318 PolarHBondContact OD2-CE1 2.53Å; D170-H318 IonicContact OD2-CG 2.74Å; D170-H318 IonicContact OD2-ND1 2.98Å; D170-H318 PolarHBondContact OD2-ND1 3.43Å; D170-H318 IonicContact OD2-NE2 2.67Å
171M94.9Very high96Very high13 Ų1330 Ų306%0.06417%0.172CC..Hα-helixtrans-57.7-44.4-177-177.353.55500113.5C169 I173 G174 I175 W241 T262 Y263C169-M171 PolarHBondContact SG-N 3.07Å; C169-M171 VanDerWaalsContact SG-N 3.39Å; M171-I173 PolarHBondContact O-N 3.47Å; M171-G174 PolarHBondContact O-N 3.14Å; M171-I175 HydrophobicContact CG-CD1 3.8Å; M171-I175 HydrophobicContact CG-CG1 4.48Å; M171-I175 WeakPolarHBondContact O-CG1 3.39Å; M171-I175 PolarHBondContact O-N 3.16Å; M171-I175 HydrophobicContact SD-CD1 3.72Å; M171-I175 HydrophobicContact SD-CG1 3.89Å; M171-W241 HydrophobicContact CE-CE3 4.49Å; M171-W241 HydrophobicContact CE-CH2 3.22Å; M171-W241 HydrophobicContact CE-CZ2 4.3Å; M171-W241 HydrophobicContact CE-CZ3 3.33Å; M171-W241 HydrophobicContact SD-CZ3 4.46Å; M171-T262 PolarHBondContact SD-OG1 2.84Å; M171-Y263 HydrophobicContact CB-CD2 4.44Å; M171-Y263 HydrophobicContact CB-CE2 3.99Å; M171-Y263 HydrophobicContact CE-CD2 4.35Å; M171-Y263 HydrophobicContact CE-CE2 3.56Å; M171-Y263 HydrophobicContact CG-CD2 3.76Å; M171-Y263 HydrophobicContact CG-CE2 3.65Å; M171-Y263 HydrophobicContact SD-CE2 4.22Å
172P96.2Very high96Very high3 Ų326.2 Ų26.22%0.01915%0.146CC..Hα-helixtrans-59.3-34.5174.8-23.734.5000112.8I175 E176 W204 L338 E357P172-I175 PolarHBondContact O-N 3.24Å; P172-E176 WeakPolarHBondContact O-CB 3.07Å; P172-E176 VanDerWaalsContact O-CG 3.25Å; P172-E176 WeakPolarHBondContact O-CG 3.38Å; P172-E176 PolarHBondContact O-N 3.45Å; P172-W204 HydrophobicContact CB-CH2 4.4Å; P172-W204 HydrophobicContact CB-CZ2 3.85Å; P172-L338 HydrophobicContact CB-CD1 3.61Å; P172-L338 HydrophobicContact CG-CD1 4.3Å; P172-E357 VanDerWaalsContact CG-OE1 3.26Å; P172-E357 WeakPolarHBondContact CG-OE1 3.4Å
173I93.7Very high96Very high30 Ų3019.8 Ų19.815%0.15411%0.112CC..Hα-helixtrans-71.3-44.8-179.2-65.3173.3000110.9D170 M171 I175 E176 G177 Y321D170-I173 WeakPolarHBondContact O-CA 3.23Å; D170-I173 VanDerWaalsContact O-CB 3.32Å; D170-I173 WeakPolarHBondContact O-CB 3.45Å; D170-I173 PolarHBondContact O-N 3.29Å; M171-I173 PolarHBondContact O-N 3.47Å; I173-I175 VanDerWaalsContact C-N 3.3Å; I173-I175 PolarHBondContact O-N 2.9Å; I173-E176 PolarHBondContact O-N 2.92Å; I173-G177 PolarHBondContact O-N 3.37Å; I173-Y321 HydrophobicContact CD1-CD1 3.36Å; I173-Y321 HydrophobicContact CD1-CD2 3.21Å; I173-Y321 HydrophobicContact CD1-CE1 3.87Å; I173-Y321 HydrophobicContact CD1-CE2 3.75Å; I173-Y321 HydrophobicContact CD1-CG 2.99Å; I173-Y321 HydrophobicContact CG1-CG 4.47Å
174G92.6Very high95.9Very high28 Ų2822.1 Ų22.129%0.28914%0.138SC..Hα-helixtrans-61.6-38.4174.700000112.5D170 M171 R178D170-G174 PolarHBondContact O-N 3.42Å; M171-G174 PolarHBondContact O-N 3.14Å; G174-R178 WeakPolarHBondContact O-CG 3.29Å; G174-R178 PolarHBondContact O-N 2.78Å
175I96.1Very high95.8Very high0 Ų020.4 Ų20.40%013%0.132CC..Hα-helixtrans-68.8-44.7175.1-68.8166000110.9M171 P172 I173 G177 R178 M179 W204 Y228 F245 T262M171-I175 HydrophobicContact CG-CD1 3.8Å; M171-I175 HydrophobicContact CG-CG1 4.48Å; M171-I175 WeakPolarHBondContact O-CG1 3.39Å; M171-I175 PolarHBondContact O-N 3.16Å; M171-I175 HydrophobicContact SD-CD1 3.72Å; M171-I175 HydrophobicContact SD-CG1 3.89Å; P172-I175 PolarHBondContact O-N 3.24Å; I173-I175 VanDerWaalsContact C-N 3.3Å; I173-I175 PolarHBondContact O-N 2.9Å; I175-G177 VanDerWaalsContact C-N 3.33Å; I175-G177 PolarHBondContact O-N 3.39Å; I175-R178 PolarHBondContact O-N 3.27Å; I175-M179 HydrophobicContact CG2-CE 3.51Å; I175-M179 HydrophobicContact CG2-CG 4.37Å; I175-M179 HydrophobicContact CG2-SD 4.07Å; I175-M179 WeakPolarHBondContact O-CG 3.48Å; I175-M179 PolarHBondContact O-N 2.99Å; I175-W204 HydrophobicContact CB-CH2 3.62Å; I175-W204 HydrophobicContact CB-CZ2 4.15Å; I175-W204 HydrophobicContact CB-CZ3 4.32Å; I175-W204 HydrophobicContact CD1-CH2 3.62Å; I175-W204 HydrophobicContact CD1-CZ3 4.03Å; I175-W204 HydrophobicContact CG1-CH2 4.22Å; I175-W204 HydrophobicContact CG2-CE3 4.46Å; I175-W204 HydrophobicContact CG2-CH2 3.4Å; I175-W204 VanDerWaalsContact CG2-CH2 3.4Å; I175-W204 HydrophobicContact CG2-CZ2 4Å; I175-W204 HydrophobicContact CG2-CZ3 3.66Å; I175-Y228 HydrophobicContact CG2-CD1 4.15Å; I175-Y228 HydrophobicContact CG2-CD2 4.19Å; I175-Y228 HydrophobicContact CG2-CE1 3.85Å; I175-Y228 HydrophobicContact CG2-CE2 3.9Å; I175-Y228 HydrophobicContact CG2-CG 4.31Å; I175-F245 HydrophobicContact CG1-CE1 4.21Å; I175-T262 HydrophobicContact CD1-CG2 3.81Å; I175-T262 HydrophobicContact CG1-CG2 4.1Å
176E96.7Very high95.5Very high1 Ų128.9 Ų28.91%0.00517%0.168CC..Hα-helixtrans-64.1-35.5177.3-76.4175.2-166.500112.7P172 I173 R178 M179 A180 R188 M191 V193 W204P172-E176 WeakPolarHBondContact O-CB 3.07Å; P172-E176 VanDerWaalsContact O-CG 3.25Å; P172-E176 WeakPolarHBondContact O-CG 3.38Å; P172-E176 PolarHBondContact O-N 3.45Å; I173-E176 PolarHBondContact O-N 2.92Å; E176-R178 VanDerWaalsContact C-N 3.33Å; E176-R178 PolarHBondContact O-N 3.34Å; E176-M179 HydrophobicContact CG-SD 4.28Å; E176-M179 WeakPolarHBondContact O-CB 3.39Å; E176-M179 PolarHBondContact O-N 2.76Å; E176-A180 WeakPolarHBondContact O-CB 3.43Å; E176-A180 PolarHBondContact O-N 2.83Å; E176-R188 HydrophobicContact CB-CB 3.92Å; E176-R188 IonicContact OE2-CZ 2.78Å; E176-R188 IonicContact OE2-NE 3.25Å; E176-R188 PolarHBondContact OE2-NE 3.34Å; E176-R188 IonicContact OE2-NH2 2.65Å; E176-R188 PolarHBondContact OE2-NH2 3.43Å; E176-M191 HydrophobicContact CB-CE 3.81Å; E176-M191 HydrophobicContact CG-CE 4.19Å; E176-M191 WeakPolarHBondContact O-CE 3.49Å; E176-V193 WeakPolarHBondContact OE1-CG2 3.46Å; E176-W204 HydrophobicContact CG-CZ2 4.11Å; E176-W204 PolarHBondContact OE1-NE1 2.85Å
177G94.2Very high95.2Very high25 Ų2531.8 Ų31.826%0.25818%0.184SC..Hα-helixtrans-59.4-43.3171.900000112I173 I175 A180 Q181I173-G177 PolarHBondContact O-N 3.37Å; I175-G177 VanDerWaalsContact C-N 3.33Å; I175-G177 PolarHBondContact O-N 3.39Å; G177-A180 WeakPolarHBondContact O-CB 3.32Å; G177-A180 PolarHBondContact O-N 3.1Å; G177-Q181 WeakPolarHBondContact O-CG 3.46Å; G177-Q181 PolarHBondContact O-N 3.08Å; G177-Q181 VanDerWaalsContact O-N 3.13Å
178R94.4Very high95Very high27 Ų2733.6 Ų33.610%0.10219%0.19CC..Hα-helixtrans-68-39.5174.9-68.7170.1179-86.1-6.9112.1G174 I175 E176 A180 Q181 I182 Y228 P230 T237 F245G174-R178 WeakPolarHBondContact O-CG 3.29Å; G174-R178 PolarHBondContact O-N 2.78Å; I175-R178 PolarHBondContact O-N 3.27Å; E176-R178 VanDerWaalsContact C-N 3.33Å; E176-R178 PolarHBondContact O-N 3.34Å; R178-A180 VanDerWaalsContact C-N 3.33Å; R178-A180 PolarHBondContact O-N 2.7Å; R178-Q181 PolarHBondContact O-N 3.2Å; R178-I182 WeakPolarHBondContact O-CD1 3.47Å; R178-I182 VanDerWaalsContact O-CG1 3.25Å; R178-I182 WeakPolarHBondContact O-CG1 3.43Å; R178-I182 PolarHBondContact O-N 3.38Å; R178-Y228 WeakPolarHBondContact CD-O 3.26Å; R178-P230 HydrophobicContact CB-CG 4.35Å; R178-P230 HydrophobicContact CG-CG 4.06Å; R178-P230 VanDerWaalsContact NH1-CD 3.34Å; R178-T237 PolarHBondContact NH2-OG1 3.14Å; R178-F245 VanDerWaalsContact NH2-CE2 3.32Å
179M97.3Very high94.9Very high0 Ų037 Ų370%021%0.205CC..Hα-helixtrans-58.9-45.2173.1-69.7168.2171.100111.2I175 E176 Q181 I182 V183 M191 W204 I207 L219 Y228 M259I175-M179 HydrophobicContact CG2-CE 3.51Å; I175-M179 HydrophobicContact CG2-CG 4.37Å; I175-M179 HydrophobicContact CG2-SD 4.07Å; I175-M179 WeakPolarHBondContact O-CG 3.48Å; I175-M179 PolarHBondContact O-N 2.99Å; E176-M179 HydrophobicContact CG-SD 4.28Å; E176-M179 WeakPolarHBondContact O-CB 3.39Å; E176-M179 PolarHBondContact O-N 2.76Å; M179-Q181 PolarHBondContact O-N 2.88Å; M179-I182 WeakPolarHBondContact O-CB 3.38Å; M179-I182 PolarHBondContact O-N 3.14Å; M179-I182 VanDerWaalsContact O-N 3.16Å; M179-V183 WeakPolarHBondContact O-CG2 3.37Å; M179-V183 PolarHBondContact O-N 3.22Å; M179-M191 HydrophobicContact CB-CE 4.08Å; M179-M191 HydrophobicContact CB-SD 4.28Å; M179-W204 HydrophobicContact CE-CD2 3.81Å; M179-W204 HydrophobicContact CE-CE3 3.7Å; M179-W204 HydrophobicContact CE-CG 4.29Å; M179-W204 HydrophobicContact CE-CZ3 4.11Å; M179-I207 HydrophobicContact CE-CD1 3.88Å; M179-I207 HydrophobicContact SD-CD1 3.6Å; M179-I207 VanDerWaalsContact SD-CD1 3.6Å; M179-L219 HydrophobicContact CB-CD1 4.37Å; M179-L219 HydrophobicContact CB-CD2 3.82Å; M179-L219 HydrophobicContact CG-CD1 4.48Å; M179-L219 HydrophobicContact CG-CD2 3.99Å; M179-Y228 HydrophobicContact CE-CD1 4.44Å; M179-Y228 HydrophobicContact CE-CE1 3.41Å; M179-Y228 VanDerWaalsContact CE-CE1 3.41Å; M179-Y228 WeakPolarHBondContact CE-OH 3.47Å; M179-Y228 HydrophobicContact CG-CD1 4.25Å; M179-Y228 HydrophobicContact CG-CE1 4.01Å; M179-M259 HydrophobicContact CE-CB 3.8Å; M179-M259 HydrophobicContact CE-CG 4.28Å
180A96.1Very high95Very high3 Ų340.3 Ų40.33%0.02522%0.22CC..Hα-helixtrans-57.8-46.1176.400000111.6E176 G177 R178 I182 V183 G184 L185 M191E176-A180 WeakPolarHBondContact O-CB 3.43Å; E176-A180 PolarHBondContact O-N 2.83Å; G177-A180 WeakPolarHBondContact O-CB 3.32Å; G177-A180 PolarHBondContact O-N 3.1Å; R178-A180 VanDerWaalsContact C-N 3.33Å; R178-A180 PolarHBondContact O-N 2.7Å; A180-I182 PolarHBondContact O-N 2.8Å; A180-V183 WeakPolarHBondContact O-CG2 3.41Å; A180-V183 PolarHBondContact O-N 3.4Å; A180-G184 PolarHBondContact O-N 3.35Å; A180-L185 HydrophobicContact CB-CB 4.08Å; A180-L185 PolarHBondContact O-N 3.08Å; A180-M191 HydrophobicContact CB-CE 4.29Å
181Q94.8Very high95.2Very high98 Ų9839.6 Ų39.646%0.45822%0.216SC..Hα-helixtrans-60.5-42.7175-67.7176.98.700112.5G177 R178 M179 V183 G184 P230G177-Q181 WeakPolarHBondContact O-CG 3.46Å; G177-Q181 PolarHBondContact O-N 3.08Å; G177-Q181 VanDerWaalsContact O-N 3.13Å; R178-Q181 PolarHBondContact O-N 3.2Å; M179-Q181 PolarHBondContact O-N 2.88Å; Q181-V183 VanDerWaalsContact C-N 3.33Å; Q181-V183 PolarHBondContact O-N 3.25Å; Q181-G184 PolarHBondContact O-N 3.03Å; Q181-P230 HydrophobicContact CB-CB 4.2Å
182I96.4Very high95.3Very high10 Ų1044.1 Ų44.15%0.05123%0.232CC..Hα-helixtrans-61.6-40.6178.2-70.5162.9000111.5R178 M179 A180 L219 Y222 V223R178-I182 WeakPolarHBondContact O-CD1 3.47Å; R178-I182 VanDerWaalsContact O-CG1 3.25Å; R178-I182 WeakPolarHBondContact O-CG1 3.43Å; R178-I182 PolarHBondContact O-N 3.38Å; M179-I182 WeakPolarHBondContact O-CB 3.38Å; M179-I182 PolarHBondContact O-N 3.14Å; M179-I182 VanDerWaalsContact O-N 3.16Å; A180-I182 PolarHBondContact O-N 2.8Å; I182-L219 HydrophobicContact CB-CD2 4.2Å; I182-L219 HydrophobicContact CG2-CD2 3.96Å; I182-Y222 HydrophobicContact CB-CD1 4.4Å; I182-Y222 HydrophobicContact CD1-CD1 3.73Å; I182-Y222 HydrophobicContact CD1-CE1 3.86Å; I182-Y222 HydrophobicContact CG1-CD1 3.84Å; I182-Y222 HydrophobicContact CG1-CE1 3.73Å; I182-Y222 HydrophobicContact CG1-CG 4.48Å; I182-Y222 HydrophobicContact CG2-CD1 3.63Å; I182-Y222 HydrophobicContact CG2-CD2 3.92Å; I182-Y222 HydrophobicContact CG2-CE1 4.23Å; I182-Y222 HydrophobicContact CG2-CE2 4.49Å; I182-Y222 HydrophobicContact CG2-CG 3.46Å; I182-Y222 VanDerWaalsContact CG2-CG 3.46Å; I182-V223 HydrophobicContact CD1-CG2 4.46Å
183V96.4Very high95.4Very high14 Ų1444.4 Ų44.49%0.08523%0.234CC..Hα-helixtrans-85.5-11.5-180-62.90000113.8M179 A180 Q181 L185 L215 K218 L219M179-V183 WeakPolarHBondContact O-CG2 3.37Å; M179-V183 PolarHBondContact O-N 3.22Å; A180-V183 WeakPolarHBondContact O-CG2 3.41Å; A180-V183 PolarHBondContact O-N 3.4Å; Q181-V183 VanDerWaalsContact C-N 3.33Å; Q181-V183 PolarHBondContact O-N 3.25Å; V183-L185 HydrophobicContact CG2-CB 4.22Å; V183-L185 HydrophobicContact CG2-CD1 3.71Å; V183-L185 HydrophobicContact CG2-CG 3.67Å; V183-L215 HydrophobicContact CG1-CB 4.4Å; V183-L215 HydrophobicContact CG2-CD1 4.25Å; V183-K218 HydrophobicContact CB-CD 4.4Å; V183-K218 HydrophobicContact CG1-CD 4.12Å; V183-K218 HydrophobicContact CG1-CG 4.38Å; V183-K218 PolarHBondContact O-NZ 2.74Å; V183-L219 HydrophobicContact CG1-CD1 4.27Å; V183-L219 HydrophobicContact CG1-CD2 3.64Å; V183-L219 HydrophobicContact CG1-CG 3.63Å
184G95.1Very high95.7Very high65 Ų6547.6 Ų47.667%0.6724%0.244SC*.THydrogen-bonded Turntrans86.922.1179.600000114.1A180 Q181A180-G184 PolarHBondContact O-N 3.35Å; Q181-G184 PolarHBondContact O-N 3.03Å
185L95.9Very high96Very high41 Ų4146.4 Ų46.422%0.21523%0.231CC..  trans-83.1150172.1-66.4176.4000110.2A180 V183 D187 Q190 M191 L215A180-L185 HydrophobicContact CB-CB 4.08Å; A180-L185 PolarHBondContact O-N 3.08Å; V183-L185 HydrophobicContact CG2-CB 4.22Å; V183-L185 HydrophobicContact CG2-CD1 3.71Å; V183-L185 HydrophobicContact CG2-CG 3.67Å; L185-D187 VanDerWaalsContact C-N 3.34Å; L185-Q190 HydrophobicContact CB-CB 4.41Å; L185-Q190 HydrophobicContact CD1-CB 4.08Å; L185-Q190 HydrophobicContact CD2-CB 4.23Å; L185-Q190 HydrophobicContact CG-CB 4.47Å; L185-M191 HydrophobicContact CD1-CG 3.49Å; L185-M191 VanDerWaalsContact CD1-CG 3.49Å; L185-M191 HydrophobicContact CD1-SD 4.28Å; L185-L215 HydrophobicContact CD1-CD1 3.92Å
186K92.5Very high96.1Very high198 Ų19846.7 Ų46.786%0.86123%0.232SC*.SBendtrans-71.4-34.4-179-177.8179.2176.2-174.90111.8
187D91.9Very high96.2Very high72 Ų7246.6 Ų46.639%0.38523%0.232SC..  trans-153151.2-172.7-178.8-103.7000111.1L185 K189 Q190L185-D187 VanDerWaalsContact C-N 3.34Å; D187-K189 PolarHBondContact O-N 3.25Å; D187-K189 WeakPolarHBondContact OD1-CA 3.42Å; D187-K189 WeakPolarHBondContact OD1-CB 3.16Å; D187-K189 WeakPolarHBondContact OD1-CG 3.17Å; D187-K189 PolarHBondContact OD1-N 2.65Å; D187-Q190 WeakPolarHBondContact O-CB 3.49Å; D187-Q190 PolarHBondContact O-N 3.04Å; D187-Q190 VanDerWaalsContact O-N 3.09Å
188R94.9Very high96.4Very high40 Ų4045.4 Ų45.415%0.15122%0.219CC..G310 helixtrans-63.1-24.7178.958.6158-65-71.60114.1E176 Q190 M191E176-R188 HydrophobicContact CB-CB 3.92Å; E176-R188 IonicContact OE2-CZ 2.78Å; E176-R188 IonicContact OE2-NE 3.25Å; E176-R188 PolarHBondContact OE2-NE 3.34Å; E176-R188 IonicContact OE2-NH2 2.65Å; E176-R188 PolarHBondContact OE2-NH2 3.43Å; R188-Q190 PolarHBondContact O-N 2.92Å; R188-Q190 VanDerWaalsContact O-N 3.16Å; R188-M191 HydrophobicContact CB-CE 4.02Å; R188-M191 WeakPolarHBondContact O-CB 3.09Å; R188-M191 PolarHBondContact O-N 3.23Å
189K94.6Very high96.6Very high75 Ų7544.5 Ų44.533%0.32622%0.216SC..G310 helixtrans-68.2-8.3175.4-61.5-175.1-177.6-140.80112.9D187 D324 E335D187-K189 PolarHBondContact O-N 3.25Å; D187-K189 WeakPolarHBondContact OD1-CA 3.42Å; D187-K189 WeakPolarHBondContact OD1-CB 3.16Å; D187-K189 WeakPolarHBondContact OD1-CG 3.17Å; D187-K189 PolarHBondContact OD1-N 2.65Å; K189-D324 WeakPolarHBondContact CE-OD2 3.48Å; K189-D324 IonicContact NZ-OD1 2.83Å; K189-D324 PolarHBondContact NZ-OD1 2.84Å; K189-D324 IonicContact NZ-OD2 3.42Å; K189-D324 PolarHBondContact NZ-OD2 2.84Å; K189-E335 IonicContact NZ-OE1 2.7Å; K189-E335 PolarHBondContact NZ-OE1 3.24Å
190Q97.1Very high96.7Very high74 Ų7444.7 Ų44.735%0.34622%0.217SC..G310 helixtrans-811.1168.2-58.9-172-51.200112.9L185 D187 R188 D209 L210L185-Q190 HydrophobicContact CB-CB 4.41Å; L185-Q190 HydrophobicContact CD1-CB 4.08Å; L185-Q190 HydrophobicContact CD2-CB 4.23Å; L185-Q190 HydrophobicContact CG-CB 4.47Å; D187-Q190 WeakPolarHBondContact O-CB 3.49Å; D187-Q190 PolarHBondContact O-N 3.04Å; D187-Q190 VanDerWaalsContact O-N 3.09Å; R188-Q190 PolarHBondContact O-N 2.92Å; R188-Q190 VanDerWaalsContact O-N 3.16Å; Q190-D209 WeakPolarHBondContact O-CA 3.06Å; Q190-L210 PolarHBondContact O-N 2.9Å
191M98Very high96.8Very high14 Ų1444.7 Ų44.77%0.06922%0.217CC..EExtended strand (participates in β ladder)trans-110.3143.1174.7-57.1-173-63.100111.2E176 M179 A180 L185 R188 V193 I207 E208 L215E176-M191 HydrophobicContact CB-CE 3.81Å; E176-M191 HydrophobicContact CG-CE 4.19Å; E176-M191 WeakPolarHBondContact O-CE 3.49Å; M179-M191 HydrophobicContact CB-CE 4.08Å; M179-M191 HydrophobicContact CB-SD 4.28Å; A180-M191 HydrophobicContact CB-CE 4.29Å; L185-M191 HydrophobicContact CD1-CG 3.49Å; L185-M191 VanDerWaalsContact CD1-CG 3.49Å; L185-M191 HydrophobicContact CD1-SD 4.28Å; R188-M191 HydrophobicContact CB-CE 4.02Å; R188-M191 WeakPolarHBondContact O-CB 3.09Å; R188-M191 PolarHBondContact O-N 3.23Å; M191-V193 HydrophobicContact CB-CG1 4.38Å; M191-I207 HydrophobicContact CB-CG2 4.29Å; M191-I207 HydrophobicContact CG-CG2 4.31Å; M191-I207 HydrophobicContact SD-CG2 3.63Å; M191-E208 CarbonylContact C-O 3.58Å; M191-E208 VanDerWaalsContact CA-O 3.25Å; M191-E208 WeakPolarHBondContact CA-O 3.36Å; M191-L215 HydrophobicContact CG-CD1 4.11Å; M191-L215 HydrophobicContact SD-CD1 4.34Å
192R97.5Very high97Very high109 Ų10940 Ų4041%0.41120%0.195SC..EExtended strand (participates in β ladder)trans-108.3124.2163.8-174.7170.670.4-156.3-4.3108.5E208R192-E208 HydrophobicContact CB-CG 3.87Å; R192-E208 IonicContact CZ-OE1 3.69Å; R192-E208 IonicContact CZ-OE2 3.5Å; R192-E208 PolarHBondContact N-O 3.01Å; R192-E208 IonicContact NE-OE1 3.72Å; R192-E208 PolarHBondContact NE-OE1 3.04Å; R192-E208 IonicContact NH2-OE1 3.08Å; R192-E208 PolarHBondContact NH2-OE1 3.41Å; R192-E208 IonicContact NH2-OE2 3.75Å; R192-E208 PolarHBondContact NH2-OE2 3.21Å; R192-E208 PolarHBondContact O-N 3.33Å
193V98.4Very high97.1Very high9 Ų939.8 Ų39.86%0.05519%0.193CC..EExtended strand (participates in β ladder)trans-116.2152.4-174.6-58.40000113.2E176 M191 S206 I207 R336 L338E176-V193 WeakPolarHBondContact OE1-CG2 3.46Å; M191-V193 HydrophobicContact CB-CG1 4.38Å; V193-S206 CarbonylContact C-O 3.6Å; V193-S206 WeakPolarHBondContact CA-O 3.35Å; V193-I207 HydrophobicContact CG1-CB 4.5Å; V193-I207 HydrophobicContact CG1-CG1 4.11Å; V193-I207 HydrophobicContact CG1-CG2 4.19Å; V193-R336 PolarHBondContact O-NH1 3.15Å; V193-L338 HydrophobicContact CG2-CD2 4.46Å
194R98.5Very high97.3Very high97 Ų9739.1 Ų39.137%0.36619%0.189SC..EExtended strand (participates in β ladder)trans-113.8131.7158.5-66179.562.276.7-0.5108.4W204 T205 S206 T371 V372R194-W204 CarbonylContact O-C 3.58Å; R194-W204 WeakPolarHBondContact O-CA 3.19Å; R194-T205 VanDerWaalsContact CB-OG1 3.32Å; R194-T205 WeakPolarHBondContact CB-OG1 3.37Å; R194-T205 PolarHBondContact O-N 2.99Å; R194-T205 PolarHBondContact O-OG1 3.27Å; R194-S206 PolarHBondContact N-O 3.49Å; R194-T371 PolarHBondContact NH1-O 3Å; R194-T371 PolarHBondContact NH2-O 3.16Å; R194-V372 PolarHBondContact NH2-O 3.11Å
195Y98.8Very high97.4Very high3 Ų338.5 Ų38.51%0.01217%0.173CC..EExtended strand (participates in β ladder)trans-141.2149.9-176.4-179.1-94000109.1G202 W203 W204 N261 L338 E357 P359Y195-G202 WeakPolarHBondContact OH-CA 3.26Å; Y195-G202 PolarHBondContact OH-N 3.04Å; Y195-W203 WeakPolarHBondContact CA-O 3.42Å; Y195-W203 WeakPolarHBondContact CD2-O 3.13Å; Y195-W204 HydrophobicContact CD2-CB 4.49Å; Y195-W204 AromaticContact CD2-CD1 3.96Å; Y195-W204 AromaticContact CD2-CD2 3.61Å; Y195-W204 HydrophobicContact CD2-CD2 3.61Å; Y195-W204 AromaticContact CD2-CE2 3.69Å; Y195-W204 HydrophobicContact CD2-CE3 4.11Å; Y195-W204 AromaticContact CD2-CG 3.79Å; Y195-W204 HydrophobicContact CD2-CG 3.79Å; Y195-W204 HydrophobicContact CD2-CZ2 4.22Å; Y195-W204 AromaticContact CD2-NE1 3.9Å; Y195-W204 AromaticContact CE2-CD2 3.94Å; Y195-W204 HydrophobicContact CE2-CD2 3.94Å; Y195-W204 AromaticContact CE2-CE3 3.99Å; Y195-W204 HydrophobicContact CE2-CE3 3.99Å; Y195-W204 HydrophobicContact CE2-CH2 4.12Å; Y195-W204 HydrophobicContact CE2-CZ2 4.11Å; Y195-W204 HydrophobicContact CE2-CZ3 4.08Å; Y195-N261 PolarHBondContact OH-ND2 3.24Å; Y195-L338 HydrophobicContact CD1-CD1 3.99Å; Y195-L338 HydrophobicContact CD1-CD2 4.28Å; Y195-L338 HydrophobicContact CD2-CD1 4.25Å; Y195-L338 HydrophobicContact CG-CD1 3.8Å; Y195-L338 HydrophobicContact CG-CD2 4.25Å; Y195-E357 VanDerWaalsContact CD1-O 3.26Å; Y195-E357 WeakPolarHBondContact CD1-O 3.34Å; Y195-E357 HydrophobicContact CE1-CB 4.09Å; Y195-E357 HydrophobicContact CE1-CG 3.98Å; Y195-E357 WeakPolarHBondContact CE1-O 3.42Å; Y195-E357 PolarHBondContact OH-OE1 2.98Å; Y195-P359 WeakPolarHBondContact O-CD 3.47Å
196Y98.8Very high97.5Very high5 Ų538 Ų382%0.0217%0.173CC..EExtended strand (participates in β ladder)trans-148.2153.5164.269.7-96.6000110.7G202 W203 T205 V372 I375 P376 Q379 M383Y196-G202 CarbonylContact O-C 3.28Å; Y196-G202 WeakPolarHBondContact O-CA 3.44Å; Y196-W203 HydrophobicContact CD2-CE3 4.22Å; Y196-W203 AromaticContact CE2-CE3 3.66Å; Y196-W203 HydrophobicContact CE2-CE3 3.66Å; Y196-W203 HydrophobicContact CE2-CZ3 4.19Å; Y196-W203 PolarHBondContact N-O 3.45Å; Y196-W203 VanDerWaalsContact N-O 3.08Å; Y196-W203 PolarHBondContact O-N 3.5Å; Y196-T205 HydrophobicContact CD1-CG2 3.74Å; Y196-T205 HydrophobicContact CE1-CG2 3.36Å; Y196-V372 HydrophobicContact CD1-CG1 3.89Å; Y196-V372 HydrophobicContact CG-CG1 4.01Å; Y196-I375 HydrophobicContact CD1-CG2 3.82Å; Y196-I375 HydrophobicContact CD2-CB 4.33Å; Y196-I375 HydrophobicContact CD2-CD1 4.4Å; Y196-I375 HydrophobicContact CD2-CG2 3.53Å; Y196-I375 HydrophobicContact CE1-CB 4.48Å; Y196-I375 HydrophobicContact CE1-CG2 3.78Å; Y196-I375 HydrophobicContact CE2-CB 3.86Å; Y196-I375 HydrophobicContact CE2-CD1 4.16Å; Y196-I375 HydrophobicContact CE2-CG2 3.52Å; Y196-I375 HydrophobicContact CG-CG2 3.7Å; Y196-P376 WeakPolarHBondContact OH-CD 3.49Å; Y196-Q379 HydrophobicContact CE2-CB 3.72Å; Y196-Q379 HydrophobicContact CE2-CG 3.96Å; Y196-Q379 WeakPolarHBondContact OH-CB 3.45Å; Y196-Q379 WeakPolarHBondContact OH-CG 3.3Å; Y196-Q379 PolarHBondContact OH-NE2 2.66Å; Y196-M383 HydrophobicContact CD2-CE 4.47Å; Y196-M383 HydrophobicContact CD2-SD 3.86Å; Y196-M383 HydrophobicContact CE2-SD 3.97Å
197G98.8Very high97.8Very high0 Ų028.6 Ų28.60%013%0.132CC..EExtended strand (participates in β ladder)trans165-164175.900000112.2F201 V356 E357G197-F201 CarbonylContact C-O 3.51Å; G197-F201 WeakPolarHBondContact CA-O 3.36Å; G197-V356 CarbonylContact O-C 3.51Å; G197-V356 WeakPolarHBondContact O-CA 3.16Å; G197-V356 WeakPolarHBondContact O-CB 3.45Å; G197-E357 PolarHBondContact N-O 3.29Å; G197-E357 PolarHBondContact O-N 3.36Å
198L98.8Very high98.1Very high0 Ų027 Ų270%012%0.122CC..EExtended strand (participates in β ladder)trans-102.3173.1158.3-42.5171.1000107.5H200 F201 F350 M355 V356 M383 Q386 V387L198-H200 PolarHBondContact O-N 2.94Å; L198-F201 HydrophobicContact CB-CB 4.08Å; L198-F201 PolarHBondContact N-O 3.42Å; L198-F201 CarbonylContact O-C 3.52Å; L198-F201 PolarHBondContact O-N 3.27Å; L198-F350 HydrophobicContact CD2-CE1 4.13Å; L198-F350 HydrophobicContact CD2-CZ 4.36Å; L198-M355 WeakPolarHBondContact CD2-O 3.43Å; L198-V356 HydrophobicContact CD2-CG1 4.26Å; L198-M383 HydrophobicContact CD2-CE 4.19Å; L198-M383 HydrophobicContact CG-CE 4.45Å; L198-M383 HydrophobicContact CG-CG 4.5Å; L198-Q386 HydrophobicContact CD1-CB 3.89Å; L198-Q386 HydrophobicContact CD1-CG 3.74Å; L198-V387 HydrophobicContact CD1-CB 3.99Å; L198-V387 HydrophobicContact CD2-CB 4.34Å; L198-V387 HydrophobicContact CD2-CG2 4.44Å
199N98.8Very high98.3Very high7 Ų726.3 Ų26.34%0.03712%0.121CC..THydrogen-bonded Turntrans-59.7135.9171.7175.8-113.3000111.1A150 C169 F201 I340 E357A150-N199 HydrophobicContact CB-CB 4.11Å; C169-N199 WeakPolarHBondContact CB-ND2 3.36Å; C169-N199 PolarHBondContact SG-ND2 3.12Å; N199-F201 PolarHBondContact O-N 3.33Å; N199-F201 VanDerWaalsContact O-N 3.13Å; N199-I340 HydrophobicContact CB-CD1 3.58Å; N199-I340 HydrophobicContact CB-CG1 4.11Å; N199-E357 PolarHBondContact ND2-OE2 3.13Å
200H98.7Very high98.3Very high5 Ų528.4 Ų28.42%0.02314%0.136CC..THydrogen-bonded Turntrans56.720.1-173-61.2151.8000114.4T110 C169 L198 Y263T110-H200 PolarHBondContact OG1-CE1 3.23Å; T110-H200 PolarHBondContact OG1-ND1 2.78Å; T110-H200 VanDerWaalsContact OG1-ND1 3.07Å; C169-H200 PolarHBondContact SG-NE2 2.96Å; C169-H200 VanDerWaalsContact SG-NE2 3.36Å; L198-H200 PolarHBondContact O-N 2.94Å; H200-Y263 HydrophobicContact CB-CD1 3.8Å; H200-Y263 HydrophobicContact CB-CD2 3.94Å; H200-Y263 HydrophobicContact CB-CE1 4.32Å; H200-Y263 HydrophobicContact CB-CE2 4.45Å; H200-Y263 HydrophobicContact CB-CG 3.59Å; H200-Y263 AromaticContact CD2-CD2 3.54Å; H200-Y263 AromaticContact CD2-CE2 3.27Å; H200-Y263 WeakPolarHBondContact CD2-CE2 3.32Å; H200-Y263 AromaticContact CD2-CZ 3.57Å; H200-Y263 AromaticContact CE1-CZ 3.77Å; H200-Y263 AromaticContact CG-CD1 3.81Å; H200-Y263 AromaticContact CG-CD2 3.8Å; H200-Y263 AromaticContact CG-CE1 3.81Å; H200-Y263 AromaticContact CG-CE2 3.81Å; H200-Y263 AromaticContact CG-CG 3.8Å; H200-Y263 AromaticContact CG-CZ 3.84Å; H200-Y263 AromaticContact ND1-CE1 3.78Å; H200-Y263 AromaticContact ND1-CZ 3.94Å; H200-Y263 AromaticContact NE2-CE2 3.59Å; H200-Y263 AromaticContact NE2-CZ 3.52Å; H200-Y263 WeakPolarHBondContact O-CB 3.33Å
201F98.8Very high98.3Very high2 Ų231.9 Ų31.91%0.00916%0.156CC..EExtended strand (participates in β ladder)trans-155.469.8-172.5-156.8-78.2000111.5G197 L198 N199 W203 L264 Y267 L382 M383 Q386G197-F201 CarbonylContact C-O 3.51Å; G197-F201 WeakPolarHBondContact CA-O 3.36Å; L198-F201 HydrophobicContact CB-CB 4.08Å; L198-F201 PolarHBondContact N-O 3.42Å; L198-F201 CarbonylContact O-C 3.52Å; L198-F201 PolarHBondContact O-N 3.27Å; N199-F201 PolarHBondContact O-N 3.33Å; N199-F201 VanDerWaalsContact O-N 3.13Å; F201-W203 AromaticContact CD1-CH2 3.86Å; F201-W203 HydrophobicContact CD1-CH2 3.86Å; F201-W203 HydrophobicContact CD1-CZ3 4.18Å; F201-W203 AromaticContact CE1-CH2 3.68Å; F201-W203 HydrophobicContact CE1-CH2 3.68Å; F201-W203 HydrophobicContact CE1-CZ3 4.37Å; F201-L264 HydrophobicContact CD1-CD2 3.91Å; F201-L264 HydrophobicContact CD2-CD2 3.86Å; F201-L264 HydrophobicContact CE1-CD2 3.99Å; F201-L264 HydrophobicContact CE2-CD2 3.95Å; F201-L264 HydrophobicContact CG-CD2 3.85Å; F201-L264 HydrophobicContact CZ-CD2 4.01Å; F201-Y267 HydrophobicContact CD2-CD1 4.29Å; F201-Y267 AromaticContact CD2-CD2 3.6Å; F201-Y267 HydrophobicContact CD2-CD2 3.6Å; F201-Y267 HydrophobicContact CD2-CE1 4.19Å; F201-Y267 AromaticContact CD2-CE2 3.49Å; F201-Y267 HydrophobicContact CD2-CE2 3.49Å; F201-Y267 VanDerWaalsContact CD2-CE2 3.49Å; F201-Y267 AromaticContact CD2-CG 4Å; F201-Y267 HydrophobicContact CD2-CG 4Å; F201-Y267 AromaticContact CD2-CZ 3.79Å; F201-Y267 AromaticContact CE2-CD1 3.68Å; F201-Y267 HydrophobicContact CE2-CD1 3.68Å; F201-Y267 AromaticContact CE2-CD2 3.55Å; F201-Y267 HydrophobicContact CE2-CD2 3.55Å; F201-Y267 AromaticContact CE2-CE1 3.96Å; F201-Y267 HydrophobicContact CE2-CE1 3.96Å; F201-Y267 AromaticContact CE2-CE2 3.85Å; F201-Y267 HydrophobicContact CE2-CE2 3.85Å; F201-Y267 AromaticContact CE2-CG 3.45Å; F201-Y267 HydrophobicContact CE2-CG 3.45Å; F201-Y267 VanDerWaalsContact CE2-CG 3.45Å; F201-L382 HydrophobicContact CE1-CB 3.67Å; F201-L382 HydrophobicContact CZ-CB 3.75Å; F201-M383 HydrophobicContact CD1-CG 4.04Å; F201-M383 HydrophobicContact CE1-CG 4.08Å; F201-Q386 HydrophobicContact CD2-CB 4.38Å; F201-Q386 HydrophobicContact CD2-CG 3.95Å; F201-Q386 HydrophobicContact CE1-CB 4.49Å; F201-Q386 HydrophobicContact CE2-CB 4.08Å; F201-Q386 HydrophobicContact CE2-CG 4.08Å; F201-Q386 HydrophobicContact CG-CG 4.35Å; F201-Q386 HydrophobicContact CZ-CB 4.15Å
202G98.8Very high98.3Very high0 Ų033 Ų330%017%0.171CC..EExtended strand (participates in β ladder)trans-157.7-178.3-176.400000115.4Y195 Y196 N261 L264Y195-G202 WeakPolarHBondContact OH-CA 3.26Å; Y195-G202 PolarHBondContact OH-N 3.04Å; Y196-G202 CarbonylContact O-C 3.28Å; Y196-G202 WeakPolarHBondContact O-CA 3.44Å; G202-N261 VanDerWaalsContact O-CB 3.3Å; G202-N261 WeakPolarHBondContact O-CB 3.5Å; G202-N261 PolarHBondContact O-N 3.18Å; G202-L264 WeakPolarHBondContact O-CD1 3.11Å
203W98.8Very high98.3Very high5 Ų532 Ų322%0.01917%0.174CC..EExtended strand (participates in β ladder)trans-142135.4-170.8-60.3-95.6000111.9Y195 Y196 F201 T258 M259 L264 Q379 L382 M383Y195-W203 WeakPolarHBondContact CA-O 3.42Å; Y195-W203 WeakPolarHBondContact CD2-O 3.13Å; Y196-W203 HydrophobicContact CD2-CE3 4.22Å; Y196-W203 AromaticContact CE2-CE3 3.66Å; Y196-W203 HydrophobicContact CE2-CE3 3.66Å; Y196-W203 HydrophobicContact CE2-CZ3 4.19Å; Y196-W203 PolarHBondContact N-O 3.45Å; Y196-W203 VanDerWaalsContact N-O 3.08Å; Y196-W203 PolarHBondContact O-N 3.5Å; F201-W203 AromaticContact CD1-CH2 3.86Å; F201-W203 HydrophobicContact CD1-CH2 3.86Å; F201-W203 HydrophobicContact CD1-CZ3 4.18Å; F201-W203 AromaticContact CE1-CH2 3.68Å; F201-W203 HydrophobicContact CE1-CH2 3.68Å; F201-W203 HydrophobicContact CE1-CZ3 4.37Å; W203-T258 HydrophobicContact CB-CG2 4.32Å; W203-T258 VanDerWaalsContact CD1-OG1 3.25Å; W203-M259 CarbonylContact C-O 3.53Å; W203-M259 VanDerWaalsContact CA-O 3.24Å; W203-M259 WeakPolarHBondContact CA-O 3.3Å; W203-L264 HydrophobicContact CD2-CD1 4.14Å; W203-L264 VanDerWaalsContact CE2-CD1 3.41Å; W203-L264 HydrophobicContact CH2-CD1 4.42Å; W203-L264 HydrophobicContact CH2-CD2 4.1Å; W203-L264 HydrophobicContact CZ2-CD1 3.59Å; W203-L264 HydrophobicContact CZ2-CD2 3.79Å; W203-L264 HydrophobicContact CZ2-CG 4.37Å; W203-Q379 HydrophobicContact CD2-CG 3.53Å; W203-Q379 HydrophobicContact CE3-CB 4.05Å; W203-Q379 HydrophobicContact CE3-CG 3.5Å; W203-Q379 HydrophobicContact CG-CG 4.28Å; W203-Q379 HydrophobicContact CH2-CB 3.93Å; W203-Q379 HydrophobicContact CH2-CG 3.65Å; W203-Q379 HydrophobicContact CZ2-CB 4.4Å; W203-Q379 HydrophobicContact CZ2-CG 3.65Å; W203-Q379 HydrophobicContact CZ3-CB 3.74Å; W203-Q379 HydrophobicContact CZ3-CG 3.59Å; W203-L382 HydrophobicContact CH2-CB 4.43Å; W203-L382 HydrophobicContact CH2-CD1 4.26Å; W203-L382 HydrophobicContact CZ2-CD1 4.01Å; W203-M383 HydrophobicContact CH2-CG 4.29Å; W203-M383 HydrophobicContact CZ3-CG 3.84Å; W203-M383 HydrophobicContact CZ3-SD 3.84Å
204W98.8Very high98.3Very high0 Ų036.1 Ų36.10%020%0.196CC..EExtended strand (participates in β ladder)trans-80.3133.2163.9-61.4-101.6000109.8P172 I175 E176 M179 R194 Y195 I207 T258 M259P172-W204 HydrophobicContact CB-CH2 4.4Å; P172-W204 HydrophobicContact CB-CZ2 3.85Å; I175-W204 HydrophobicContact CB-CH2 3.62Å; I175-W204 HydrophobicContact CB-CZ2 4.15Å; I175-W204 HydrophobicContact CB-CZ3 4.32Å; I175-W204 HydrophobicContact CD1-CH2 3.62Å; I175-W204 HydrophobicContact CD1-CZ3 4.03Å; I175-W204 HydrophobicContact CG1-CH2 4.22Å; I175-W204 HydrophobicContact CG2-CE3 4.46Å; I175-W204 HydrophobicContact CG2-CH2 3.4Å; I175-W204 VanDerWaalsContact CG2-CH2 3.4Å; I175-W204 HydrophobicContact CG2-CZ2 4Å; I175-W204 HydrophobicContact CG2-CZ3 3.66Å; E176-W204 HydrophobicContact CG-CZ2 4.11Å; E176-W204 PolarHBondContact OE1-NE1 2.85Å; M179-W204 HydrophobicContact CE-CD2 3.81Å; M179-W204 HydrophobicContact CE-CE3 3.7Å; M179-W204 HydrophobicContact CE-CG 4.29Å; M179-W204 HydrophobicContact CE-CZ3 4.11Å; R194-W204 CarbonylContact O-C 3.58Å; R194-W204 WeakPolarHBondContact O-CA 3.19Å; Y195-W204 HydrophobicContact CD2-CB 4.49Å; Y195-W204 AromaticContact CD2-CD1 3.96Å; Y195-W204 AromaticContact CD2-CD2 3.61Å; Y195-W204 HydrophobicContact CD2-CD2 3.61Å; Y195-W204 AromaticContact CD2-CE2 3.69Å; Y195-W204 HydrophobicContact CD2-CE3 4.11Å; Y195-W204 AromaticContact CD2-CG 3.79Å; Y195-W204 HydrophobicContact CD2-CG 3.79Å; Y195-W204 HydrophobicContact CD2-CZ2 4.22Å; Y195-W204 AromaticContact CD2-NE1 3.9Å; Y195-W204 AromaticContact CE2-CD2 3.94Å; Y195-W204 HydrophobicContact CE2-CD2 3.94Å; Y195-W204 AromaticContact CE2-CE3 3.99Å; Y195-W204 HydrophobicContact CE2-CE3 3.99Å; Y195-W204 HydrophobicContact CE2-CH2 4.12Å; Y195-W204 HydrophobicContact CE2-CZ2 4.11Å; Y195-W204 HydrophobicContact CE2-CZ3 4.08Å; W204-I207 HydrophobicContact CB-CD1 3.98Å; W204-I207 HydrophobicContact CB-CG1 4.11Å; W204-I207 HydrophobicContact CG-CD1 4.22Å; W204-I207 HydrophobicContact CG-CG1 4.48Å; W204-T258 WeakPolarHBondContact O-CA 3.4Å; W204-T258 WeakPolarHBondContact O-CB 3.46Å; W204-M259 HydrophobicContact CB-CB 4.1Å; W204-M259 HydrophobicContact CE3-CB 4.17Å; W204-M259 PolarHBondContact N-O 2.91Å; W204-M259 PolarHBondContact O-N 2.92Å
205T98.5Very high98.3Very high52 Ų5232.6 Ų32.632%0.31918%0.184SC..EExtended strand (participates in β ladder)trans-109-21.2-179.752.70000113.6R194 Y196 T258R194-T205 VanDerWaalsContact CB-OG1 3.32Å; R194-T205 WeakPolarHBondContact CB-OG1 3.37Å; R194-T205 PolarHBondContact O-N 2.99Å; R194-T205 PolarHBondContact O-OG1 3.27Å; Y196-T205 HydrophobicContact CD1-CG2 3.74Å; Y196-T205 HydrophobicContact CE1-CG2 3.36Å; T205-T258 HydrophobicContact CG2-CG2 4.17Å
206S98.4Very high98.3Very high32 Ų3232.8 Ų32.822%0.22419%0.185CC..EExtended strand (participates in β ladder)trans-150.9135.4178.1-1740000108.3V193 R194V193-S206 CarbonylContact C-O 3.6Å; V193-S206 WeakPolarHBondContact CA-O 3.35Å; R194-S206 PolarHBondContact N-O 3.49Å
207I98.6Very high98.3Very high0 Ų035.6 Ų35.60%020%0.204CC..EExtended strand (participates in β ladder)trans-139.5113.9175-55.9172.9000105.7M179 M191 V193 W204 L215 M216 L219 M259M179-I207 HydrophobicContact CE-CD1 3.88Å; M179-I207 HydrophobicContact SD-CD1 3.6Å; M179-I207 VanDerWaalsContact SD-CD1 3.6Å; M191-I207 HydrophobicContact CB-CG2 4.29Å; M191-I207 HydrophobicContact CG-CG2 4.31Å; M191-I207 HydrophobicContact SD-CG2 3.63Å; V193-I207 HydrophobicContact CG1-CB 4.5Å; V193-I207 HydrophobicContact CG1-CG1 4.11Å; V193-I207 HydrophobicContact CG1-CG2 4.19Å; W204-I207 HydrophobicContact CB-CD1 3.98Å; W204-I207 HydrophobicContact CB-CG1 4.11Å; W204-I207 HydrophobicContact CG-CD1 4.22Å; W204-I207 HydrophobicContact CG-CG1 4.48Å; I207-L215 HydrophobicContact CG2-CB 4.22Å; I207-L215 HydrophobicContact CG2-CD1 4.21Å; I207-L215 WeakPolarHBondContact O-CA 3.35Å; I207-L215 WeakPolarHBondContact O-CB 3.37Å; I207-L215 PolarHBondContact O-N 2.92Å; I207-M216 HydrophobicContact CB-CG 4.27Å; I207-M216 HydrophobicContact CB-SD 4.09Å; I207-M216 HydrophobicContact CD1-SD 3.83Å; I207-M216 HydrophobicContact CG1-SD 3.76Å; I207-L219 HydrophobicContact CB-CD1 4.05Å; I207-L219 HydrophobicContact CD1-CD1 3.55Å; I207-L219 HydrophobicContact CG1-CD1 4.39Å; I207-L219 HydrophobicContact CG2-CD1 3.82Å; I207-M259 HydrophobicContact CD1-CG 4.12Å
208E98.4Very high98.2Very high39 Ų3941 Ų4118%0.18223%0.228CC..EExtended strand (participates in β ladder)trans-126.1156.5178.265.7-163.3143.900109.8M191 R192 N213M191-E208 CarbonylContact C-O 3.58Å; M191-E208 VanDerWaalsContact CA-O 3.25Å; M191-E208 WeakPolarHBondContact CA-O 3.36Å; R192-E208 HydrophobicContact CB-CG 3.87Å; R192-E208 IonicContact CZ-OE1 3.69Å; R192-E208 IonicContact CZ-OE2 3.5Å; R192-E208 PolarHBondContact N-O 3.01Å; R192-E208 IonicContact NE-OE1 3.72Å; R192-E208 PolarHBondContact NE-OE1 3.04Å; R192-E208 IonicContact NH2-OE1 3.08Å; R192-E208 PolarHBondContact NH2-OE1 3.41Å; R192-E208 IonicContact NH2-OE2 3.75Å; R192-E208 PolarHBondContact NH2-OE2 3.21Å; R192-E208 PolarHBondContact O-N 3.33Å; E208-N213 CarbonylContact C-O 3.51Å; E208-N213 WeakPolarHBondContact CA-O 3.42Å; E208-N213 WeakPolarHBondContact CB-O 3.21Å
209D98Very high98.2Very high24 Ų2441 Ų4113%0.12823%0.228CC..EExtended strand (participates in β ladder)trans-76.8178.7168.167.320.2000111.7Q190 D211 G212 N213 L215Q190-D209 WeakPolarHBondContact O-CA 3.06Å; D209-D211 PolarHBondContact O-N 2.98Å; D209-D211 WeakPolarHBondContact OD1-CA 3.22Å; D209-D211 WeakPolarHBondContact OD1-CB 3.39Å; D209-D211 PolarHBondContact OD1-N 3.08Å; D209-G212 PolarHBondContact O-N 3.35Å; D209-G212 VanDerWaalsContact O-N 3.1Å; D209-G212 PolarHBondContact OD1-N 2.86Å; D209-N213 PolarHBondContact N-O 3.43Å; D209-N213 PolarHBondContact OD1-N 3.17Å; D209-N213 PolarHBondContact OD1-ND2 3.24Å; D209-N213 WeakPolarHBondContact OD2-CB 3.16Å; D209-N213 PolarHBondContact OD2-ND2 2.64Å; D209-L215 HydrophobicContact CB-CD1 4.19Å
210L96Very high98.1Very high120 Ų12043.6 Ų43.663%0.62824%0.237SC*.THydrogen-bonded Turntrans-68.3-18-179.7-59.5-175.7000114Q190 G212Q190-L210 PolarHBondContact O-N 2.9Å; L210-G212 VanDerWaalsContact C-N 3.3Å
211D96.8Very high98.1Very high146 Ų14649.1 Ų49.178%0.78126%0.263SS*.THydrogen-bonded Turntrans-86.4-5.2174.9-64.7-38.8000112D209D209-D211 PolarHBondContact O-N 2.98Å; D209-D211 WeakPolarHBondContact OD1-CA 3.22Å; D209-D211 WeakPolarHBondContact OD1-CB 3.39Å; D209-D211 PolarHBondContact OD1-N 3.08Å
212G96.6Very high98Very high37 Ų3751.2 Ų51.238%0.38127%0.271SS..  trans86.815.2179.300000114.2D209 L210D209-G212 PolarHBondContact O-N 3.35Å; D209-G212 VanDerWaalsContact O-N 3.1Å; D209-G212 PolarHBondContact OD1-N 2.86Å; L210-G212 VanDerWaalsContact C-N 3.3Å
213N98.3Very high98Very high89 Ų8951.2 Ų51.248%0.47627%0.271SS..  trans-76.3130.7175.3-54-63.9000110.3E208 D209 L215E208-N213 CarbonylContact C-O 3.51Å; E208-N213 WeakPolarHBondContact CA-O 3.42Å; E208-N213 WeakPolarHBondContact CB-O 3.21Å; D209-N213 PolarHBondContact N-O 3.43Å; D209-N213 PolarHBondContact OD1-N 3.17Å; D209-N213 PolarHBondContact OD1-ND2 3.24Å; D209-N213 WeakPolarHBondContact OD2-CB 3.16Å; D209-N213 PolarHBondContact OD2-ND2 2.64Å; N213-L215 PolarHBondContact O-N 2.93Å
214D98.5Very high98Very high96 Ų9653.5 Ų53.551%0.51329%0.291SS..BIsolated β-bridgetrans-70.7118.3178.6-178.315.4000111.7M216 P217D214-M216 VanDerWaalsContact OD1-CB 3.23Å; D214-M216 WeakPolarHBondContact OD1-CB 3.35Å; D214-M216 PolarHBondContact OD1-N 3.4Å; D214-P217 WeakPolarHBondContact OD2-CD 3.35Å
215L98.6Very high97.9Very high22 Ų2258.6 Ų58.612%0.11531%0.313CS..  trans-95.2-12179.8-56.5176.6000112.6V183 L185 M191 I207 D209 N213 P217 K218 L219V183-L215 HydrophobicContact CG1-CB 4.4Å; V183-L215 HydrophobicContact CG2-CD1 4.25Å; L185-L215 HydrophobicContact CD1-CD1 3.92Å; M191-L215 HydrophobicContact CG-CD1 4.11Å; M191-L215 HydrophobicContact SD-CD1 4.34Å; I207-L215 HydrophobicContact CG2-CB 4.22Å; I207-L215 HydrophobicContact CG2-CD1 4.21Å; I207-L215 WeakPolarHBondContact O-CA 3.35Å; I207-L215 WeakPolarHBondContact O-CB 3.37Å; I207-L215 PolarHBondContact O-N 2.92Å; D209-L215 HydrophobicContact CB-CD1 4.19Å; N213-L215 PolarHBondContact O-N 2.93Å; L215-P217 VanDerWaalsContact C-CD 3.5Å; L215-K218 PolarHBondContact O-N 2.92Å; L215-L219 HydrophobicContact CB-CD1 4.2Å; L215-L219 WeakPolarHBondContact O-CG 3.5Å; L215-L219 PolarHBondContact O-N 2.72Å; L215-L219 VanDerWaalsContact O-N 3.07Å
216M98.5Very high97.8Very high7 Ų762.3 Ų62.33%0.03432%0.322CS..Hα-helixtrans-57.5-40.6-177.6-73.5-72-66.500113.9I207 D214 K218 L219 R220 Q257 M259I207-M216 HydrophobicContact CB-CG 4.27Å; I207-M216 HydrophobicContact CB-SD 4.09Å; I207-M216 HydrophobicContact CD1-SD 3.83Å; I207-M216 HydrophobicContact CG1-SD 3.76Å; D214-M216 VanDerWaalsContact OD1-CB 3.23Å; D214-M216 WeakPolarHBondContact OD1-CB 3.35Å; D214-M216 PolarHBondContact OD1-N 3.4Å; M216-K218 PolarHBondContact O-N 2.67Å; M216-L219 PolarHBondContact O-N 2.83Å; M216-R220 HydrophobicContact CE-CG 4.26Å; M216-R220 VanDerWaalsContact O-CB 3.3Å; M216-R220 WeakPolarHBondContact O-CB 3.33Å; M216-R220 WeakPolarHBondContact O-CG 3.3Å; M216-R220 PolarHBondContact O-N 2.95Å; M216-R220 PolarHBondContact O-NE 3.41Å; M216-Q257 WeakPolarHBondContact CE-O 3.32Å; M216-M259 HydrophobicContact CE-CG 3.85Å; M216-M259 HydrophobicContact CE-SD 4.38Å; M216-M259 HydrophobicContact SD-CG 3.81Å
217P98.1Very high97.8Very high65 Ų6560.8 Ų60.842%0.42231%0.312SS..Hα-helixtrans-58.6-47.5178.6-2635.5000112.8D214 L215 E221D214-P217 WeakPolarHBondContact OD2-CD 3.35Å; L215-P217 VanDerWaalsContact C-CD 3.5Å; P217-E221 PolarHBondContact O-N 3.1Å; P217-E221 VanDerWaalsContact O-N 3.1Å
218K97.4Very high97.7Very high112 Ų11260.8 Ų60.849%0.48731%0.312SS..Hα-helixtrans-66-44.2179.6-176.5176176.3-176.30111.3V183 L215 M216 Y222V183-K218 HydrophobicContact CB-CD 4.4Å; V183-K218 HydrophobicContact CG1-CD 4.12Å; V183-K218 HydrophobicContact CG1-CG 4.38Å; V183-K218 PolarHBondContact O-NZ 2.74Å; L215-K218 PolarHBondContact O-N 2.92Å; M216-K218 PolarHBondContact O-N 2.67Å; K218-Y222 WeakPolarHBondContact O-CB 3.46Å; K218-Y222 PolarHBondContact O-N 3.39Å; K218-Y222 VanDerWaalsContact O-N 3.12Å
219L98.3Very high97.5Very high0 Ų061.1 Ų61.10%032%0.316CS..Hα-helixtrans-63.2-46.8178.5-76.2170000112.1M179 I182 V183 I207 L215 M216 Y222 V223 M259M179-L219 HydrophobicContact CB-CD1 4.37Å; M179-L219 HydrophobicContact CB-CD2 3.82Å; M179-L219 HydrophobicContact CG-CD1 4.48Å; M179-L219 HydrophobicContact CG-CD2 3.99Å; I182-L219 HydrophobicContact CB-CD2 4.2Å; I182-L219 HydrophobicContact CG2-CD2 3.96Å; V183-L219 HydrophobicContact CG1-CD1 4.27Å; V183-L219 HydrophobicContact CG1-CD2 3.64Å; V183-L219 HydrophobicContact CG1-CG 3.63Å; I207-L219 HydrophobicContact CB-CD1 4.05Å; I207-L219 HydrophobicContact CD1-CD1 3.55Å; I207-L219 HydrophobicContact CG1-CD1 4.39Å; I207-L219 HydrophobicContact CG2-CD1 3.82Å; L215-L219 HydrophobicContact CB-CD1 4.2Å; L215-L219 WeakPolarHBondContact O-CG 3.5Å; L215-L219 PolarHBondContact O-N 2.72Å; L215-L219 VanDerWaalsContact O-N 3.07Å; M216-L219 PolarHBondContact O-N 2.83Å; L219-Y222 PolarHBondContact O-N 3.41Å; L219-V223 WeakPolarHBondContact O-CB 3.36Å; L219-V223 VanDerWaalsContact O-CG2 3.32Å; L219-V223 WeakPolarHBondContact O-CG2 3.45Å; L219-V223 PolarHBondContact O-N 2.97Å; L219-M259 HydrophobicContact CB-CE 4.18Å; L219-M259 HydrophobicContact CB-SD 4.42Å
220R98.1Very high97Very high62 Ų6260.5 Ų60.523%0.23431%0.313CS..Hα-helixtrans-61.9-45.4178.9-73.9-179-67.1178.4-0.1112.1M216 Y222 A224 P256 M259M216-R220 HydrophobicContact CE-CG 4.26Å; M216-R220 VanDerWaalsContact O-CB 3.3Å; M216-R220 WeakPolarHBondContact O-CB 3.33Å; M216-R220 WeakPolarHBondContact O-CG 3.3Å; M216-R220 PolarHBondContact O-N 2.95Å; M216-R220 PolarHBondContact O-NE 3.41Å; R220-Y222 VanDerWaalsContact C-N 3.3Å; R220-Y222 PolarHBondContact O-N 3.33Å; R220-A224 WeakPolarHBondContact O-CB 3.39Å; R220-A224 PolarHBondContact O-N 3.25Å; R220-P256 WeakPolarHBondContact CD-O 3.5Å; R220-M259 HydrophobicContact CB-SD 4.45Å; R220-M259 HydrophobicContact CG-SD 3.57Å; R220-M259 VanDerWaalsContact CG-SD 3.57Å
221E97.8Very high96.5Very high121 Ų12159 Ų5957%0.56531%0.311SS*.Hα-helixtrans-60.2-43.1178.1-170.8-169.8162.400111.5P217 K225P217-E221 PolarHBondContact O-N 3.1Å; P217-E221 VanDerWaalsContact O-N 3.1Å; E221-K225 IonicContact OE1-NZ 3.38Å; E221-K225 PolarHBondContact OE1-NZ 3.3Å
222Y98Very high95.6Very high47 Ų4755.6 Ų55.618%0.18430%0.298CS..Hα-helixtrans-68.4-51.7-179.7-169.6-81.7000111.8I182 K218 L219 R220 A224 K225 Y226 V229 P231I182-Y222 HydrophobicContact CB-CD1 4.4Å; I182-Y222 HydrophobicContact CD1-CD1 3.73Å; I182-Y222 HydrophobicContact CD1-CE1 3.86Å; I182-Y222 HydrophobicContact CG1-CD1 3.84Å; I182-Y222 HydrophobicContact CG1-CE1 3.73Å; I182-Y222 HydrophobicContact CG1-CG 4.48Å; I182-Y222 HydrophobicContact CG2-CD1 3.63Å; I182-Y222 HydrophobicContact CG2-CD2 3.92Å; I182-Y222 HydrophobicContact CG2-CE1 4.23Å; I182-Y222 HydrophobicContact CG2-CE2 4.49Å; I182-Y222 HydrophobicContact CG2-CG 3.46Å; I182-Y222 VanDerWaalsContact CG2-CG 3.46Å; K218-Y222 WeakPolarHBondContact O-CB 3.46Å; K218-Y222 PolarHBondContact O-N 3.39Å; K218-Y222 VanDerWaalsContact O-N 3.12Å; L219-Y222 PolarHBondContact O-N 3.41Å; R220-Y222 VanDerWaalsContact C-N 3.3Å; R220-Y222 PolarHBondContact O-N 3.33Å; Y222-A224 VanDerWaalsContact C-N 3.31Å; Y222-A224 PolarHBondContact O-N 3.22Å; Y222-K225 PolarHBondContact O-N 3.33Å; Y222-Y226 HydrophobicContact CD1-CD2 4.05Å; Y222-Y226 AromaticContact CD2-CD2 3.95Å; Y222-Y226 HydrophobicContact CD2-CD2 3.95Å; Y222-Y226 HydrophobicContact CD2-CE2 4.35Å; Y222-Y226 AromaticContact CE1-CD2 3.82Å; Y222-Y226 HydrophobicContact CE1-CD2 3.82Å; Y222-Y226 HydrophobicContact CE1-CG 4.17Å; Y222-Y226 AromaticContact CE2-CD2 3.72Å; Y222-Y226 HydrophobicContact CE2-CD2 3.72Å; Y222-Y226 HydrophobicContact CE2-CE2 4.13Å; Y222-Y226 HydrophobicContact CG-CD2 4.11Å; Y222-Y226 AromaticContact CZ-CD2 3.64Å; Y222-Y226 WeakPolarHBondContact O-CD2 3.02Å; Y222-Y226 PolarHBondContact O-N 2.92Å; Y222-V229 VanDerWaalsContact CE1-O 3.24Å; Y222-V229 WeakPolarHBondContact CE1-O 3.35Å; Y222-V229 PolarHBondContact OH-O 3.33Å; Y222-V229 VanDerWaalsContact OH-O 3.05Å; Y222-P231 HydrophobicContact CE2-CG 3.88Å; Y222-P231 WeakPolarHBondContact OH-CD 3.31Å; Y222-P231 WeakPolarHBondContact OH-CG 3.25Å
223V98Very high94.2Very high0 Ų060.4 Ų60.40%032%0.315CS..Hα-helixtrans-65.8-33.7-175.9171.10000111.7I182 L219 K225 Y226 G227 Y228 K249 Q252 M259I182-V223 HydrophobicContact CD1-CG2 4.46Å; L219-V223 WeakPolarHBondContact O-CB 3.36Å; L219-V223 VanDerWaalsContact O-CG2 3.32Å; L219-V223 WeakPolarHBondContact O-CG2 3.45Å; L219-V223 PolarHBondContact O-N 2.97Å; V223-K225 PolarHBondContact O-N 3.44Å; V223-K225 VanDerWaalsContact O-N 3.16Å; V223-Y226 PolarHBondContact O-N 3.01Å; V223-G227 WeakPolarHBondContact CA-O 3.48Å; V223-G227 WeakPolarHBondContact CG2-O 3.21Å; V223-G227 WeakPolarHBondContact O-CA 3.48Å; V223-G227 PolarHBondContact O-N 2.64Å; V223-Y228 HydrophobicContact CG1-CE1 4.36Å; V223-Y228 HydrophobicContact CG2-CD1 3.71Å; V223-Y228 HydrophobicContact CG2-CE1 3.73Å; V223-K249 WeakPolarHBondContact O-CA 3.15Å; V223-K249 WeakPolarHBondContact O-CB 3.21Å; V223-Q252 HydrophobicContact CG1-CB 4.31Å; V223-Q252 HydrophobicContact CG1-CG 4.41Å; V223-M259 HydrophobicContact CB-CE 3.56Å; V223-M259 HydrophobicContact CG1-CE 3.79Å; V223-M259 HydrophobicContact CG2-CE 3.35Å
224A98Very high92.8Very high52 Ų5259 Ų5943%0.4331%0.308SS..Hα-helixtrans-59.3-25.4173.100000113.2R220 Y222R220-A224 WeakPolarHBondContact O-CB 3.39Å; R220-A224 PolarHBondContact O-N 3.25Å; Y222-A224 VanDerWaalsContact C-N 3.31Å; Y222-A224 PolarHBondContact O-N 3.22Å
225K97.2Very high91.2Very high108 Ų10859.4 Ų59.447%0.4732%0.316SS..Hα-helixtrans-95.3-43.7179-64.1171.7-171.2166.80112.3E221 Y222 V223E221-K225 IonicContact OE1-NZ 3.38Å; E221-K225 PolarHBondContact OE1-NZ 3.3Å; Y222-K225 PolarHBondContact O-N 3.33Å; V223-K225 PolarHBondContact O-N 3.44Å; V223-K225 VanDerWaalsContact O-N 3.16Å
226Y96.7Very high89.8Confident130 Ų13065 Ų6551%0.5134%0.341SS..Hα-helixtrans-121.7-4.9-164.7-53.8-65.7000114.8Y222 V223Y222-Y226 HydrophobicContact CD1-CD2 4.05Å; Y222-Y226 AromaticContact CD2-CD2 3.95Å; Y222-Y226 HydrophobicContact CD2-CD2 3.95Å; Y222-Y226 HydrophobicContact CD2-CE2 4.35Å; Y222-Y226 AromaticContact CE1-CD2 3.82Å; Y222-Y226 HydrophobicContact CE1-CD2 3.82Å; Y222-Y226 HydrophobicContact CE1-CG 4.17Å; Y222-Y226 AromaticContact CE2-CD2 3.72Å; Y222-Y226 HydrophobicContact CE2-CD2 3.72Å; Y222-Y226 HydrophobicContact CE2-CE2 4.13Å; Y222-Y226 HydrophobicContact CG-CD2 4.11Å; Y222-Y226 AromaticContact CZ-CD2 3.64Å; Y222-Y226 WeakPolarHBondContact O-CD2 3.02Å; Y222-Y226 PolarHBondContact O-N 2.92Å; V223-Y226 PolarHBondContact O-N 3.01Å
227G97.4Very high88.7Confident0 Ų065.6 Ų65.60%035%0.345CS..THydrogen-bonded Turntrans64.9-154.1-165.600000110.9V223 V229 F245V223-G227 WeakPolarHBondContact CA-O 3.48Å; V223-G227 WeakPolarHBondContact CG2-O 3.21Å; V223-G227 WeakPolarHBondContact O-CA 3.48Å; V223-G227 PolarHBondContact O-N 2.64Å; G227-V229 PolarHBondContact O-N 2.99Å; G227-F245 CarbonylContact C-O 3.59Å; G227-F245 WeakPolarHBondContact CA-O 3.32Å
228Y96.8Very high87.8Confident0 Ų065.6 Ų65.60%034%0.339CS..THydrogen-bonded Turntrans-85.922.4175.2-62.3-63.5000113.6I175 R178 M179 V223 P230 F245 A248 M259 P260 T262I175-Y228 HydrophobicContact CG2-CD1 4.15Å; I175-Y228 HydrophobicContact CG2-CD2 4.19Å; I175-Y228 HydrophobicContact CG2-CE1 3.85Å; I175-Y228 HydrophobicContact CG2-CE2 3.9Å; I175-Y228 HydrophobicContact CG2-CG 4.31Å; R178-Y228 WeakPolarHBondContact CD-O 3.26Å; M179-Y228 HydrophobicContact CE-CD1 4.44Å; M179-Y228 HydrophobicContact CE-CE1 3.41Å; M179-Y228 VanDerWaalsContact CE-CE1 3.41Å; M179-Y228 WeakPolarHBondContact CE-OH 3.47Å; M179-Y228 HydrophobicContact CG-CD1 4.25Å; M179-Y228 HydrophobicContact CG-CE1 4.01Å; V223-Y228 HydrophobicContact CG1-CE1 4.36Å; V223-Y228 HydrophobicContact CG2-CD1 3.71Å; V223-Y228 HydrophobicContact CG2-CE1 3.73Å; Y228-P230 VanDerWaalsContact O-CD 3.25Å; Y228-P230 WeakPolarHBondContact O-CD 3.42Å; Y228-F245 PolarHBondContact N-O 3.13Å; Y228-A248 HydrophobicContact CD2-CB 3.41Å; Y228-A248 VanDerWaalsContact CD2-CB 3.41Å; Y228-A248 HydrophobicContact CE2-CB 3.55Å; Y228-A248 HydrophobicContact CG-CB 4.36Å; Y228-M259 HydrophobicContact CE1-CE 3.8Å; Y228-M259 WeakPolarHBondContact OH-CB 3.12Å; Y228-P260 WeakPolarHBondContact CE2-O 3.36Å; Y228-P260 PolarHBondContact OH-O 3.05Å; Y228-T262 HydrophobicContact CD2-CG2 3.78Å; Y228-T262 HydrophobicContact CE2-CG2 4.13Å
229V94.5Very high87.1Confident45 Ų4564.3 Ų64.327%0.27335%0.349SS..  trans-76.3115.5174.9-178.80000108.2Y222 G227 F245 A246Y222-V229 VanDerWaalsContact CE1-O 3.24Å; Y222-V229 WeakPolarHBondContact CE1-O 3.35Å; Y222-V229 PolarHBondContact OH-O 3.33Å; Y222-V229 VanDerWaalsContact OH-O 3.05Å; G227-V229 PolarHBondContact O-N 2.99Å; V229-F245 HydrophobicContact CG2-CB 4.26Å; V229-A246 HydrophobicContact CG2-CB 3.87Å
230P87.9Confident86.4Confident12 Ų1266.2 Ų66.28%0.07836%0.363CS..  trans-65.6158.3-177.3-19.332.3000112.4R178 Q181 Y228 S232R178-P230 HydrophobicContact CB-CG 4.35Å; R178-P230 HydrophobicContact CG-CG 4.06Å; R178-P230 VanDerWaalsContact NH1-CD 3.34Å; Q181-P230 HydrophobicContact CB-CB 4.2Å; Y228-P230 VanDerWaalsContact O-CD 3.25Å; Y228-P230 WeakPolarHBondContact O-CD 3.42Å; P230-S232 PolarHBondContact O-N 2.95Å
231P84.6Confident85.8Confident89 Ų8966.6 Ų66.658%0.57837%0.365SS*.SBendtrans-62.1-30.5176.1-19.929.2000113.9Y222Y222-P231 HydrophobicContact CE2-CG 3.88Å; Y222-P231 WeakPolarHBondContact OH-CD 3.31Å; Y222-P231 WeakPolarHBondContact OH-CG 3.25Å
232S78.8Confident85.3Confident73 Ų7363 Ų6351%0.5135%0.349SS..SBendtrans-91.3128.4173.850.80000110P230 D234P230-S232 PolarHBondContact O-N 2.95Å; S232-D234 PolarHBondContact O-N 3.47Å
233N66.7Low84.9Confident139 Ų13963.6 Ų63.674%0.74336%0.355SS*.  trans-66.6124.5176.6-162.532.2000109.8P235N233-P235 WeakPolarHBondContact O-CD 3.15Å
234D69.6Low84.7Confident60 Ų6064 Ų6432%0.32136%0.358SS..  trans-95.4105.6166.4170.122.9000108.3S232 H236 T237S232-D234 PolarHBondContact O-N 3.47Å; D234-H236 PolarHBondContact O-N 2.98Å; D234-H236 WeakPolarHBondContact OD1-CB 3.26Å; D234-H236 IonicContact OD1-CD2 3.1Å; D234-H236 IonicContact OD1-CG 2.64Å; D234-H236 PolarHBondContact OD1-N 3.28Å; D234-T237 PolarHBondContact O-N 3.06Å; D234-T237 PolarHBondContact OD2-N 3.44Å; D234-T237 PolarHBondContact OD2-OG1 3.31Å
235P64.9Low84.6Confident104 Ų10462 Ų6268%0.67534%0.339SS*.THydrogen-bonded Turntrans-67.5-13.8-177.929.1-33.9000113.3N233N233-P235 WeakPolarHBondContact O-CD 3.15Å
236H69.4Low84.6Confident139 Ų13958.2 Ų58.264%0.64433%0.329SS*.THydrogen-bonded Turntrans-86.4-15.8-179.4-60.1-86.4000113D234 E238D234-H236 PolarHBondContact O-N 2.98Å; D234-H236 WeakPolarHBondContact OD1-CB 3.26Å; D234-H236 IonicContact OD1-CD2 3.1Å; D234-H236 IonicContact OD1-CG 2.64Å; D234-H236 PolarHBondContact OD1-N 3.28Å; H236-E238 PolarHBondContact O-N 3.48Å
237T75.2Confident84.6Confident20 Ų2052.9 Ų52.912%0.12331%0.308CS..SBendtrans-71.9119177-640000110.7R178 D234 W241 N242R178-T237 PolarHBondContact NH2-OG1 3.14Å; D234-T237 PolarHBondContact O-N 3.06Å; D234-T237 PolarHBondContact OD2-N 3.44Å; D234-T237 PolarHBondContact OD2-OG1 3.31Å; T237-W241 HydrophobicContact CG2-CB 3.64Å; T237-N242 WeakPolarHBondContact CG2-OD1 3.35Å; T237-N242 PolarHBondContact O-ND2 3.27Å; T237-N242 VanDerWaalsContact O-ND2 3.13Å
238E78Confident84.6Confident64 Ų6453 Ų5330%0.29931%0.309SS..  trans-60.6149.9177.6-59.1-175.3-12900112.8H236 S240 W241 N242 R283H236-E238 PolarHBondContact O-N 3.48Å; E238-S240 VanDerWaalsContact C-N 3.29Å; E238-S240 PolarHBondContact O-N 3.3Å; E238-W241 WeakPolarHBondContact O-CA 3.14Å; E238-W241 WeakPolarHBondContact O-CB 3.44Å; E238-W241 PolarHBondContact O-N 3.14Å; E238-N242 PolarHBondContact O-N 3.15Å; E238-R283 IonicContact OE1-CZ 2.64Å; E238-R283 IonicContact OE1-NH1 2.72Å; E238-R283 IonicContact OE1-NH2 3.14Å; E238-R283 PolarHBondContact OE1-NH2 2.91Å; E238-R283 IonicContact OE2-CZ 3.6Å; E238-R283 VanDerWaalsContact OE2-CZ 3.25Å; E238-R283 IonicContact OE2-NH1 2.67Å; E238-R283 PolarHBondContact OE2-NH1 3.42Å; E238-R283 IonicContact OE2-NH2 3.54Å; E238-R283 PolarHBondContact OE2-NH2 3.48Å; E238-R283 VanDerWaalsContact OE2-NH2 3.08Å
239A83.7Confident84.6Confident85 Ų8556.8 Ų56.870%0.70233%0.325SS*.Hα-helixtrans-57-39.3-175.200000113.6W241 N242 D243A239-W241 VanDerWaalsContact C-N 3.28Å; A239-W241 PolarHBondContact O-N 2.84Å; A239-N242 PolarHBondContact O-N 3.34Å; A239-D243 PolarHBondContact O-N 3.07Å
240S82.8Confident84.8Confident41 Ų4157.3 Ų57.329%0.28733%0.326SS..Hα-helixtrans-65.8-30.1177.153.80000112.8E238 T244E238-S240 VanDerWaalsContact C-N 3.29Å; E238-S240 PolarHBondContact O-N 3.3Å; S240-T244 PolarHBondContact O-N 3.3Å; S240-T244 PolarHBondContact O-OG1 3.44Å
241W86.2Confident85.3Confident70 Ų7057 Ų5727%0.26532%0.324SS..Hα-helixtrans-75.7-42.1172.3-83.6121.9000112.2M171 T237 E238 A239 D243 T244 F245M171-W241 HydrophobicContact CE-CE3 4.49Å; M171-W241 HydrophobicContact CE-CH2 3.22Å; M171-W241 HydrophobicContact CE-CZ2 4.3Å; M171-W241 HydrophobicContact CE-CZ3 3.33Å; M171-W241 HydrophobicContact SD-CZ3 4.46Å; T237-W241 HydrophobicContact CG2-CB 3.64Å; E238-W241 WeakPolarHBondContact O-CA 3.14Å; E238-W241 WeakPolarHBondContact O-CB 3.44Å; E238-W241 PolarHBondContact O-N 3.14Å; A239-W241 VanDerWaalsContact C-N 3.28Å; A239-W241 PolarHBondContact O-N 2.84Å; W241-D243 VanDerWaalsContact C-N 3.3Å; W241-D243 PolarHBondContact O-N 2.9Å; W241-T244 HydrophobicContact CE3-CG2 4.04Å; W241-T244 HydrophobicContact CZ3-CG2 3.96Å; W241-T244 WeakPolarHBondContact O-CA 3.33Å; W241-T244 WeakPolarHBondContact O-CB 3.47Å; W241-T244 PolarHBondContact O-N 3.31Å; W241-F245 HydrophobicContact CB-CD2 4.36Å; W241-F245 HydrophobicContact CB-CE2 4.03Å; W241-F245 HydrophobicContact CD2-CE2 4.38Å; W241-F245 AromaticContact CE3-CE2 3.87Å; W241-F245 HydrophobicContact CE3-CE2 3.87Å; W241-F245 AromaticContact CE3-CZ 4Å; W241-F245 HydrophobicContact CE3-CZ 4Å; W241-F245 HydrophobicContact CG-CE2 4.49Å; W241-F245 HydrophobicContact CZ3-CZ 4.47Å; W241-F245 WeakPolarHBondContact O-CD2 3.32Å; W241-F245 PolarHBondContact O-N 3.1Å
242N86.5Confident86Confident46 Ų4653.2 Ų53.225%0.24630%0.299CS..Hα-helixtrans-58-42.4174.5-79.4-34000112T237 E238 A239 T244 F245 A246T237-N242 WeakPolarHBondContact CG2-OD1 3.35Å; T237-N242 PolarHBondContact O-ND2 3.27Å; T237-N242 VanDerWaalsContact O-ND2 3.13Å; E238-N242 PolarHBondContact O-N 3.15Å; A239-N242 PolarHBondContact O-N 3.34Å; N242-T244 VanDerWaalsContact C-N 3.35Å; N242-T244 PolarHBondContact O-N 2.63Å; N242-F245 PolarHBondContact O-N 2.87Å; N242-A246 VanDerWaalsContact O-CB 3.29Å; N242-A246 WeakPolarHBondContact O-CB 3.34Å; N242-A246 PolarHBondContact O-N 3.02Å
243D89.9Confident86.9Confident58 Ų5852.9 Ų52.931%0.3130%0.301SS..Hα-helixtrans-57-48.1170.5172.978.2000111.7A239 W241 F245 A246 K247 K265 Y272A239-D243 PolarHBondContact O-N 3.07Å; W241-D243 VanDerWaalsContact C-N 3.3Å; W241-D243 PolarHBondContact O-N 2.9Å; D243-F245 PolarHBondContact O-N 3.46Å; D243-A246 PolarHBondContact O-N 3.4Å; D243-K247 WeakPolarHBondContact O-CB 3.33Å; D243-K247 PolarHBondContact O-N 3.3Å; D243-K265 IonicContact OD2-NZ 4Å; D243-K265 PolarHBondContact OD2-NZ 2.95Å; D243-Y272 PolarHBondContact OD1-OH 3.29Å
244T94.3Very high88.3Confident8 Ų850.8 Ų50.85%0.04929%0.289CS..Hα-helixtrans-59.4-44.6-179.1-60.20000112.6S240 W241 N242 T262 K265S240-T244 PolarHBondContact O-N 3.3Å; S240-T244 PolarHBondContact O-OG1 3.44Å; W241-T244 HydrophobicContact CE3-CG2 4.04Å; W241-T244 HydrophobicContact CZ3-CG2 3.96Å; W241-T244 WeakPolarHBondContact O-CA 3.33Å; W241-T244 WeakPolarHBondContact O-CB 3.47Å; W241-T244 PolarHBondContact O-N 3.31Å; N242-T244 VanDerWaalsContact C-N 3.35Å; N242-T244 PolarHBondContact O-N 2.63Å; T244-T262 HydrophobicContact CG2-CG2 4.39Å; T244-K265 HydrophobicContact CG2-CD 4.23Å; T244-K265 PolarHBondContact OG1-NZ 3.16Å
245F95.8Very high89.7Confident10 Ų1049.2 Ų49.24%0.04428%0.28CS..Hα-helixtrans-70-38.4176.9-67.7-61000112.1I175 R178 G227 Y228 V229 W241 N242 D243 A248 T262I175-F245 HydrophobicContact CG1-CE1 4.21Å; R178-F245 VanDerWaalsContact NH2-CE2 3.32Å; G227-F245 CarbonylContact C-O 3.59Å; G227-F245 WeakPolarHBondContact CA-O 3.32Å; Y228-F245 PolarHBondContact N-O 3.13Å; V229-F245 HydrophobicContact CG2-CB 4.26Å; W241-F245 HydrophobicContact CB-CD2 4.36Å; W241-F245 HydrophobicContact CB-CE2 4.03Å; W241-F245 HydrophobicContact CD2-CE2 4.38Å; W241-F245 AromaticContact CE3-CE2 3.87Å; W241-F245 HydrophobicContact CE3-CE2 3.87Å; W241-F245 AromaticContact CE3-CZ 4Å; W241-F245 HydrophobicContact CE3-CZ 4Å; W241-F245 HydrophobicContact CG-CE2 4.49Å; W241-F245 HydrophobicContact CZ3-CZ 4.47Å; W241-F245 WeakPolarHBondContact O-CD2 3.32Å; W241-F245 PolarHBondContact O-N 3.1Å; N242-F245 PolarHBondContact O-N 2.87Å; D243-F245 PolarHBondContact O-N 3.46Å; F245-A248 VanDerWaalsContact O-CB 3.28Å; F245-A248 WeakPolarHBondContact O-CB 3.36Å; F245-A248 PolarHBondContact O-N 3.45Å; F245-T262 HydrophobicContact CD1-CG2 3.81Å; F245-T262 HydrophobicContact CE1-CG2 4.13Å
246A95.8Very high91.2Very high30 Ų3047.5 Ų47.525%0.24827%0.269CS..Hα-helixtrans-65.3-39.2176.300000112.2V229 N242 D243 A248 K249V229-A246 HydrophobicContact CG2-CB 3.87Å; N242-A246 VanDerWaalsContact O-CB 3.29Å; N242-A246 WeakPolarHBondContact O-CB 3.34Å; N242-A246 PolarHBondContact O-N 3.02Å; D243-A246 PolarHBondContact O-N 3.4Å; A246-A248 PolarHBondContact O-N 3.38Å; A246-A248 VanDerWaalsContact O-N 3.16Å; A246-K249 VanDerWaalsContact O-CG 3.31Å; A246-K249 WeakPolarHBondContact O-CG 3.34Å; A246-K249 PolarHBondContact O-N 2.98Å
247K97.2Very high92.5Very high18 Ų1846.9 Ų46.98%0.07827%0.267CS..Hα-helixtrans-64.8-18-179.3-167.463.4-179.5178.40113.3D243 K249 D250 V251 K265 Y272D243-K247 WeakPolarHBondContact O-CB 3.33Å; D243-K247 PolarHBondContact O-N 3.3Å; K247-K249 PolarHBondContact O-N 3.39Å; K247-K249 VanDerWaalsContact O-N 3.11Å; K247-D250 HydrophobicContact CD-CB 4.28Å; K247-D250 VanDerWaalsContact CD-OD2 3.27Å; K247-D250 WeakPolarHBondContact CD-OD2 3.44Å; K247-D250 VanDerWaalsContact CE-OD2 3.27Å; K247-D250 WeakPolarHBondContact CE-OD2 3.41Å; K247-D250 IonicContact NZ-OD2 3.45Å; K247-D250 PolarHBondContact NZ-OD2 3.05Å; K247-D250 PolarHBondContact O-N 3.36Å; K247-V251 PolarHBondContact O-N 2.93Å; K247-K265 HydrophobicContact CB-CD 4.12Å; K247-K265 HydrophobicContact CG-CB 4Å; K247-K265 HydrophobicContact CG-CD 4.05Å; K247-Y272 HydrophobicContact CD-CD1 4.09Å; K247-Y272 HydrophobicContact CD-CE1 3.69Å; K247-Y272 HydrophobicContact CG-CE1 4.25Å
248A97.9Very high93.6Very high1 Ų146.4 Ų46.41%0.00826%0.264CS..Hα-helixtrans-56.5-26.3175.400000113.3Y228 F245 A246 D250 V251 Q252 T262Y228-A248 HydrophobicContact CD2-CB 3.41Å; Y228-A248 VanDerWaalsContact CD2-CB 3.41Å; Y228-A248 HydrophobicContact CE2-CB 3.55Å; Y228-A248 HydrophobicContact CG-CB 4.36Å; F245-A248 VanDerWaalsContact O-CB 3.28Å; F245-A248 WeakPolarHBondContact O-CB 3.36Å; F245-A248 PolarHBondContact O-N 3.45Å; A246-A248 PolarHBondContact O-N 3.38Å; A246-A248 VanDerWaalsContact O-N 3.16Å; A248-D250 PolarHBondContact O-N 3.35Å; A248-V251 PolarHBondContact O-N 3.22Å; A248-Q252 VanDerWaalsContact O-CB 3.24Å; A248-Q252 WeakPolarHBondContact O-CB 3.37Å; A248-Q252 PolarHBondContact O-N 2.95Å; A248-T262 HydrophobicContact CB-CG2 4.45Å
249K97.7Very high94.5Very high80 Ų8043.3 Ų43.335%0.34825%0.25SC..Hα-helixtrans-62.1-40.917576.2-169.5-180175.40112.9V223 A246 K247 Q252 A253V223-K249 WeakPolarHBondContact O-CA 3.15Å; V223-K249 WeakPolarHBondContact O-CB 3.21Å; A246-K249 VanDerWaalsContact O-CG 3.31Å; A246-K249 WeakPolarHBondContact O-CG 3.34Å; A246-K249 PolarHBondContact O-N 2.98Å; K247-K249 PolarHBondContact O-N 3.39Å; K247-K249 VanDerWaalsContact O-N 3.11Å; K249-Q252 PolarHBondContact O-N 3.17Å; K249-A253 PolarHBondContact O-N 3.43Å
250D98.2Very high95.3Very high56 Ų5639.4 Ų39.430%0.29922%0.217SC..Hα-helixtrans-73.9-34.9-178.7-61.5-19.9000110.1K247 A248 F269K247-D250 HydrophobicContact CD-CB 4.28Å; K247-D250 VanDerWaalsContact CD-OD2 3.27Å; K247-D250 WeakPolarHBondContact CD-OD2 3.44Å; K247-D250 VanDerWaalsContact CE-OD2 3.27Å; K247-D250 WeakPolarHBondContact CE-OD2 3.41Å; K247-D250 IonicContact NZ-OD2 3.45Å; K247-D250 PolarHBondContact NZ-OD2 3.05Å; K247-D250 PolarHBondContact O-N 3.36Å; A248-D250 PolarHBondContact O-N 3.35Å; D250-F269 HydrophobicContact CB-CE2 4.04Å; D250-F269 HydrophobicContact CB-CZ 3.89Å; D250-F269 WeakPolarHBondContact O-CZ 3.25Å
251V98.3Very high96Very high5 Ų537.4 Ų37.43%0.0320%0.203CC..Hα-helixtrans-65.8-45.4172.9178.90000110.8K247 A248 A253 L254 P260 L264 K265 L268 F269K247-V251 PolarHBondContact O-N 2.93Å; A248-V251 PolarHBondContact O-N 3.22Å; V251-A253 VanDerWaalsContact C-N 3.27Å; V251-A253 PolarHBondContact O-N 3.43Å; V251-L254 PolarHBondContact O-N 2.84Å; V251-P260 HydrophobicContact CB-CB 4.32Å; V251-P260 HydrophobicContact CB-CG 4Å; V251-P260 HydrophobicContact CG1-CB 3.4Å; V251-P260 HydrophobicContact CG1-CG 3.62Å; V251-L264 HydrophobicContact CG1-CB 3.77Å; V251-L264 HydrophobicContact CG1-CD1 4.44Å; V251-K265 HydrophobicContact CG2-CB 3.92Å; V251-L268 HydrophobicContact CG1-CD1 3.82Å; V251-F269 HydrophobicContact CG2-CD2 4.11Å; V251-F269 HydrophobicContact CG2-CE2 3.91Å
252Q98.2Very high96.6Very high11 Ų1134.1 Ų34.15%0.05119%0.191CC..Hα-helixtrans-65.8-30.5-179.3-171.2-88.4-5.700112V223 A248 K249 L254 D255 P256 P260V223-Q252 HydrophobicContact CG1-CB 4.31Å; V223-Q252 HydrophobicContact CG1-CG 4.41Å; A248-Q252 VanDerWaalsContact O-CB 3.24Å; A248-Q252 WeakPolarHBondContact O-CB 3.37Å; A248-Q252 PolarHBondContact O-N 2.95Å; K249-Q252 PolarHBondContact O-N 3.17Å; Q252-L254 PolarHBondContact O-N 3.49Å; Q252-L254 VanDerWaalsContact O-N 3.12Å; Q252-D255 CarbonylContact O-C 3.57Å; Q252-D255 PolarHBondContact O-N 3.44Å; Q252-D255 VanDerWaalsContact O-O 3.13Å; Q252-P256 PolarHBondContact NE2-O 3.27Å; Q252-P260 HydrophobicContact CB-CG 3.99Å
253A98.1Very high97.1Very high66 Ų6632.8 Ų32.855%0.54518%0.182SC..THydrogen-bonded Turntrans-59.8-23.1176.400000113.9K249 V251K249-A253 PolarHBondContact O-N 3.43Å; V251-A253 VanDerWaalsContact C-N 3.27Å; V251-A253 PolarHBondContact O-N 3.43Å
254L97.5Very high97.6Very high94 Ų9430 Ų3049%0.49217%0.168SC..THydrogen-bonded Turntrans-75.8-27.2175.1-69.4175.1000113.4V251 Q252 L268 F269 F378V251-L254 PolarHBondContact O-N 2.84Å; Q252-L254 PolarHBondContact O-N 3.49Å; Q252-L254 VanDerWaalsContact O-N 3.12Å; L254-L268 HydrophobicContact CD1-CB 4.05Å; L254-L268 HydrophobicContact CD1-CD1 3.79Å; L254-L268 HydrophobicContact CD1-CD2 3.95Å; L254-L268 HydrophobicContact CD1-CG 4.14Å; L254-F269 HydrophobicContact CD1-CZ 4.47Å; L254-F378 HydrophobicContact CB-CZ 4.46Å
255D97.6Very high97.7Very high27 Ų2730 Ų3014%0.14417%0.167CC..  trans-141.986.8171.917916.3000110.5Q252 Q257 T258 Q379Q252-D255 CarbonylContact O-C 3.57Å; Q252-D255 PolarHBondContact O-N 3.44Å; Q252-D255 VanDerWaalsContact O-O 3.13Å; D255-Q257 PolarHBondContact O-N 2.94Å; D255-Q257 PolarHBondContact OD1-N 2.69Å; D255-Q257 VanDerWaalsContact OD1-N 3.17Å; D255-T258 VanDerWaalsContact CG-OG1 3.29Å; D255-T258 PolarHBondContact O-N 3.37Å; D255-T258 WeakPolarHBondContact OD2-CB 3.36Å; D255-T258 WeakPolarHBondContact OD2-CG2 3.43Å; D255-T258 PolarHBondContact OD2-OG1 2.96Å; D255-Q379 PolarHBondContact OD2-NE2 3.03Å
256P96.7Very high97.8Very high68 Ų6830.8 Ų30.844%0.44217%0.17SC..THydrogen-bonded Turntrans-65.6-8.3-177.8-23.234.5000114.5R220 Q252R220-P256 WeakPolarHBondContact CD-O 3.5Å; Q252-P256 PolarHBondContact NE2-O 3.27Å
257Q96.3Very high98Very high126 Ų12629.7 Ų29.759%0.58916%0.159SC*.THydrogen-bonded Turntrans-86.3-16.9-180-59.9-54.6-38.300113M216 D255M216-Q257 WeakPolarHBondContact CE-O 3.32Å; D255-Q257 PolarHBondContact O-N 2.94Å; D255-Q257 PolarHBondContact OD1-N 2.69Å; D255-Q257 VanDerWaalsContact OD1-N 3.17Å
258T98.1Very high98Very high10 Ų1030.3 Ų30.36%0.06116%0.163CC..SBendtrans-119.7172.9-178.563.10000111.7W203 W204 T205 D255W203-T258 HydrophobicContact CB-CG2 4.32Å; W203-T258 VanDerWaalsContact CD1-OG1 3.25Å; W204-T258 WeakPolarHBondContact O-CA 3.4Å; W204-T258 WeakPolarHBondContact O-CB 3.46Å; T205-T258 HydrophobicContact CG2-CG2 4.17Å; D255-T258 VanDerWaalsContact CG-OG1 3.29Å; D255-T258 PolarHBondContact O-N 3.37Å; D255-T258 WeakPolarHBondContact OD2-CB 3.36Å; D255-T258 WeakPolarHBondContact OD2-CG2 3.43Å; D255-T258 PolarHBondContact OD2-OG1 2.96Å
259M98.6Very high98Very high0 Ų032.5 Ų32.50%017%0.172CC..EExtended strand (participates in β ladder)trans-112.9125.9170-52.9-60.6-63.200107.9M179 W203 W204 I207 M216 L219 R220 V223 Y228M179-M259 HydrophobicContact CE-CB 3.8Å; M179-M259 HydrophobicContact CE-CG 4.28Å; W203-M259 CarbonylContact C-O 3.53Å; W203-M259 VanDerWaalsContact CA-O 3.24Å; W203-M259 WeakPolarHBondContact CA-O 3.3Å; W204-M259 HydrophobicContact CB-CB 4.1Å; W204-M259 HydrophobicContact CE3-CB 4.17Å; W204-M259 PolarHBondContact N-O 2.91Å; W204-M259 PolarHBondContact O-N 2.92Å; I207-M259 HydrophobicContact CD1-CG 4.12Å; M216-M259 HydrophobicContact CE-CG 3.85Å; M216-M259 HydrophobicContact CE-SD 4.38Å; M216-M259 HydrophobicContact SD-CG 3.81Å; L219-M259 HydrophobicContact CB-CE 4.18Å; L219-M259 HydrophobicContact CB-SD 4.42Å; R220-M259 HydrophobicContact CB-SD 4.45Å; R220-M259 HydrophobicContact CG-SD 3.57Å; R220-M259 VanDerWaalsContact CG-SD 3.57Å; V223-M259 HydrophobicContact CB-CE 3.56Å; V223-M259 HydrophobicContact CG1-CE 3.79Å; V223-M259 HydrophobicContact CG2-CE 3.35Å; Y228-M259 HydrophobicContact CE1-CE 3.8Å; Y228-M259 WeakPolarHBondContact OH-CB 3.12Å
260P98.6Very high98Very high2 Ų230 Ų301%0.01317%0.165CC..EExtended strand (participates in β ladder)trans-89.2146.5-172.633.2-35.8000113.6Y228 V251 Q252 T262 L264Y228-P260 WeakPolarHBondContact CE2-O 3.36Å; Y228-P260 PolarHBondContact OH-O 3.05Å; V251-P260 HydrophobicContact CB-CB 4.32Å; V251-P260 HydrophobicContact CB-CG 4Å; V251-P260 HydrophobicContact CG1-CB 3.4Å; V251-P260 HydrophobicContact CG1-CG 3.62Å; Q252-P260 HydrophobicContact CB-CG 3.99Å; P260-T262 PolarHBondContact O-N 2.85Å; P260-L264 HydrophobicContact CB-CD1 3.78Å
261N98.7Very high97.9Very high0 Ų032.9 Ų32.90%018%0.18CC..  trans-61.1135.3160.4-171-50.4000109.3Y195 G202 Y263 L264Y195-N261 PolarHBondContact OH-ND2 3.24Å; G202-N261 VanDerWaalsContact O-CB 3.3Å; G202-N261 WeakPolarHBondContact O-CB 3.5Å; G202-N261 PolarHBondContact O-N 3.18Å; N261-Y263 PolarHBondContact O-N 3.08Å; N261-Y263 VanDerWaalsContact O-N 3.16Å; N261-Y263 WeakPolarHBondContact OD1-CD2 3.35Å; N261-Y263 PolarHBondContact OD1-N 2.68Å; N261-Y263 VanDerWaalsContact OD1-N 3.11Å; N261-L264 WeakPolarHBondContact O-CB 3.22Å; N261-L264 PolarHBondContact O-N 2.89Å
262T98.1Very high97.8Very high1 Ų135.2 Ų35.21%0.00619%0.189CC..THydrogen-bonded Turntrans-60.6-26.9-17550.90000113.5M171 I175 Y228 T244 F245 A248 P260 L264 K265M171-T262 PolarHBondContact SD-OG1 2.84Å; I175-T262 HydrophobicContact CD1-CG2 3.81Å; I175-T262 HydrophobicContact CG1-CG2 4.1Å; Y228-T262 HydrophobicContact CD2-CG2 3.78Å; Y228-T262 HydrophobicContact CE2-CG2 4.13Å; T244-T262 HydrophobicContact CG2-CG2 4.39Å; F245-T262 HydrophobicContact CD1-CG2 3.81Å; F245-T262 HydrophobicContact CE1-CG2 4.13Å; A248-T262 HydrophobicContact CB-CG2 4.45Å; P260-T262 PolarHBondContact O-N 2.85Å; T262-L264 PolarHBondContact O-N 3.43Å; T262-K265 WeakPolarHBondContact O-CG 3.34Å; T262-K265 PolarHBondContact O-N 3.26Å
263Y98.5Very high97.7Very high18 Ų1835.3 Ų35.37%0.07119%0.19CC..THydrogen-bonded Turntrans-65.3-19.8176.8-80.8-97.8000113.5Q108 T110 C111 M171 H200 N261 K265 Y266 Y267Q108-Y263 VanDerWaalsContact NE2-CE1 3.33Å; T110-Y263 WeakPolarHBondContact OG1-CE1 3.49Å; C111-Y263 VanDerWaalsContact SG-CD1 3.57Å; M171-Y263 HydrophobicContact CB-CD2 4.44Å; M171-Y263 HydrophobicContact CB-CE2 3.99Å; M171-Y263 HydrophobicContact CE-CD2 4.35Å; M171-Y263 HydrophobicContact CE-CE2 3.56Å; M171-Y263 HydrophobicContact CG-CD2 3.76Å; M171-Y263 HydrophobicContact CG-CE2 3.65Å; M171-Y263 HydrophobicContact SD-CE2 4.22Å; H200-Y263 HydrophobicContact CB-CD1 3.8Å; H200-Y263 HydrophobicContact CB-CD2 3.94Å; H200-Y263 HydrophobicContact CB-CE1 4.32Å; H200-Y263 HydrophobicContact CB-CE2 4.45Å; H200-Y263 HydrophobicContact CB-CG 3.59Å; H200-Y263 AromaticContact CD2-CD2 3.54Å; H200-Y263 AromaticContact CD2-CE2 3.27Å; H200-Y263 WeakPolarHBondContact CD2-CE2 3.32Å; H200-Y263 AromaticContact CD2-CZ 3.57Å; H200-Y263 AromaticContact CE1-CZ 3.77Å; H200-Y263 AromaticContact CG-CD1 3.81Å; H200-Y263 AromaticContact CG-CD2 3.8Å; H200-Y263 AromaticContact CG-CE1 3.81Å; H200-Y263 AromaticContact CG-CE2 3.81Å; H200-Y263 AromaticContact CG-CG 3.8Å; H200-Y263 AromaticContact CG-CZ 3.84Å; H200-Y263 AromaticContact ND1-CE1 3.78Å; H200-Y263 AromaticContact ND1-CZ 3.94Å; H200-Y263 AromaticContact NE2-CE2 3.59Å; H200-Y263 AromaticContact NE2-CZ 3.52Å; H200-Y263 WeakPolarHBondContact O-CB 3.33Å; N261-Y263 PolarHBondContact O-N 3.08Å; N261-Y263 VanDerWaalsContact O-N 3.16Å; N261-Y263 WeakPolarHBondContact OD1-CD2 3.35Å; N261-Y263 PolarHBondContact OD1-N 2.68Å; N261-Y263 VanDerWaalsContact OD1-N 3.11Å; Y263-K265 PolarHBondContact O-N 2.76Å; Y263-Y266 AromaticContact CD1-CD2 3.68Å; Y263-Y266 HydrophobicContact CD1-CD2 3.68Å; Y263-Y266 AromaticContact CD1-CE2 3.46Å; Y263-Y266 HydrophobicContact CD1-CE2 3.46Å; Y263-Y266 VanDerWaalsContact CD1-CE2 3.46Å; Y263-Y266 HydrophobicContact CE1-CE2 4Å; Y263-Y266 HydrophobicContact CG-CD2 4.23Å; Y263-Y266 HydrophobicContact CG-CE2 4.08Å; Y263-Y266 WeakPolarHBondContact O-CB 3.26Å; Y263-Y266 WeakPolarHBondContact O-CD2 3.43Å; Y263-Y266 PolarHBondContact O-N 2.79Å; Y263-Y267 WeakPolarHBondContact O-CD2 3.41Å
264L98.6Very high97.7Very high0 Ų033.7 Ų33.70%017%0.173CC..Hα-helixtrans-59.6-20175.2-72.9170000112.7F201 G202 W203 V251 P260 N261 T262 Y266 Y267 L268F201-L264 HydrophobicContact CD1-CD2 3.91Å; F201-L264 HydrophobicContact CD2-CD2 3.86Å; F201-L264 HydrophobicContact CE1-CD2 3.99Å; F201-L264 HydrophobicContact CE2-CD2 3.95Å; F201-L264 HydrophobicContact CG-CD2 3.85Å; F201-L264 HydrophobicContact CZ-CD2 4.01Å; G202-L264 WeakPolarHBondContact O-CD1 3.11Å; W203-L264 HydrophobicContact CD2-CD1 4.14Å; W203-L264 VanDerWaalsContact CE2-CD1 3.41Å; W203-L264 HydrophobicContact CH2-CD1 4.42Å; W203-L264 HydrophobicContact CH2-CD2 4.1Å; W203-L264 HydrophobicContact CZ2-CD1 3.59Å; W203-L264 HydrophobicContact CZ2-CD2 3.79Å; W203-L264 HydrophobicContact CZ2-CG 4.37Å; V251-L264 HydrophobicContact CG1-CB 3.77Å; V251-L264 HydrophobicContact CG1-CD1 4.44Å; P260-L264 HydrophobicContact CB-CD1 3.78Å; N261-L264 WeakPolarHBondContact O-CB 3.22Å; N261-L264 PolarHBondContact O-N 2.89Å; T262-L264 PolarHBondContact O-N 3.43Å; L264-Y266 PolarHBondContact O-N 2.89Å; L264-Y267 PolarHBondContact O-N 2.81Å; L264-Y267 VanDerWaalsContact O-N 3.12Å; L264-L268 HydrophobicContact CB-CD1 4.07Å; L264-L268 WeakPolarHBondContact O-CB 3.43Å; L264-L268 WeakPolarHBondContact O-CG 3.5Å; L264-L268 PolarHBondContact O-N 2.89Å
265K97.7Very high97.6Very high8 Ų833 Ų334%0.03518%0.181CC..Hα-helixtrans-56.4-35.5172.882.7177.8-166.8169.20112.5D243 T244 K247 V251 T262 Y263 Y267 F269 V273D243-K265 IonicContact OD2-NZ 4Å; D243-K265 PolarHBondContact OD2-NZ 2.95Å; T244-K265 HydrophobicContact CG2-CD 4.23Å; T244-K265 PolarHBondContact OG1-NZ 3.16Å; K247-K265 HydrophobicContact CB-CD 4.12Å; K247-K265 HydrophobicContact CG-CB 4Å; K247-K265 HydrophobicContact CG-CD 4.05Å; V251-K265 HydrophobicContact CG2-CB 3.92Å; T262-K265 WeakPolarHBondContact O-CG 3.34Å; T262-K265 PolarHBondContact O-N 3.26Å; Y263-K265 PolarHBondContact O-N 2.76Å; K265-Y267 VanDerWaalsContact C-N 3.27Å; K265-Y267 PolarHBondContact O-N 3.06Å; K265-F269 CarbonylContact O-C 3Å; K265-F269 WeakPolarHBondContact O-CA 3.37Å; K265-F269 PolarHBondContact O-N 3.33Å; K265-V273 HydrophobicContact CG-CG2 4.27Å
266Y98.3Very high97.4Very high26 Ų2637.8 Ų37.810%0.10220%0.202CC..Hα-helixtrans-67.6-29-179.1-64.5-54.2000112.9L106 Q108 C111 Y263 L264 P270 V273L106-Y266 HydrophobicContact CD1-CD1 3.61Å; L106-Y266 HydrophobicContact CD1-CE1 4.16Å; L106-Y266 HydrophobicContact CD1-CG 4.49Å; L106-Y266 HydrophobicContact CD2-CD1 3.94Å; L106-Y266 HydrophobicContact CD2-CG 3.99Å; L106-Y266 HydrophobicContact CG-CD1 4.42Å; Q108-Y266 HydrophobicContact CG-CD1 4.24Å; Q108-Y266 HydrophobicContact CG-CD2 4.42Å; Q108-Y266 HydrophobicContact CG-CE1 3.78Å; Q108-Y266 HydrophobicContact CG-CE2 3.99Å; Q108-Y266 PolarHBondContact NE2-OH 3.09Å; C111-Y266 HydrophobicContact CB-CD2 4.24Å; C111-Y266 HydrophobicContact CB-CG 4.4Å; Y263-Y266 AromaticContact CD1-CD2 3.68Å; Y263-Y266 HydrophobicContact CD1-CD2 3.68Å; Y263-Y266 AromaticContact CD1-CE2 3.46Å; Y263-Y266 HydrophobicContact CD1-CE2 3.46Å; Y263-Y266 VanDerWaalsContact CD1-CE2 3.46Å; Y263-Y266 HydrophobicContact CE1-CE2 4Å; Y263-Y266 HydrophobicContact CG-CD2 4.23Å; Y263-Y266 HydrophobicContact CG-CE2 4.08Å; Y263-Y266 WeakPolarHBondContact O-CB 3.26Å; Y263-Y266 WeakPolarHBondContact O-CD2 3.43Å; Y263-Y266 PolarHBondContact O-N 2.79Å; L264-Y266 PolarHBondContact O-N 2.89Å; Y266-P270 WeakPolarHBondContact O-CB 3.24Å; Y266-V273 HydrophobicContact CD1-CB 4.37Å; Y266-V273 HydrophobicContact CD1-CG1 3.86Å; Y266-V273 HydrophobicContact CD1-CG2 3.94Å; Y266-V273 HydrophobicContact CE1-CG1 3.84Å; Y266-V273 HydrophobicContact CE1-CG2 4.31Å
267Y98.7Very high97.3Very high6 Ų636.4 Ų36.42%0.02419%0.194CC..Hα-helixtrans-96-32.3-176.7-60.5-84.5000112.4C111 F201 Y263 L264 K265 Q386 K413 T414C111-Y267 HydrophobicContact CB-CE2 4.29Å; C111-Y267 PolarHBondContact SG-OH 2.8Å; F201-Y267 HydrophobicContact CD2-CD1 4.29Å; F201-Y267 AromaticContact CD2-CD2 3.6Å; F201-Y267 HydrophobicContact CD2-CD2 3.6Å; F201-Y267 HydrophobicContact CD2-CE1 4.19Å; F201-Y267 AromaticContact CD2-CE2 3.49Å; F201-Y267 HydrophobicContact CD2-CE2 3.49Å; F201-Y267 VanDerWaalsContact CD2-CE2 3.49Å; F201-Y267 AromaticContact CD2-CG 4Å; F201-Y267 HydrophobicContact CD2-CG 4Å; F201-Y267 AromaticContact CD2-CZ 3.79Å; F201-Y267 AromaticContact CE2-CD1 3.68Å; F201-Y267 HydrophobicContact CE2-CD1 3.68Å; F201-Y267 AromaticContact CE2-CD2 3.55Å; F201-Y267 HydrophobicContact CE2-CD2 3.55Å; F201-Y267 AromaticContact CE2-CE1 3.96Å; F201-Y267 HydrophobicContact CE2-CE1 3.96Å; F201-Y267 AromaticContact CE2-CE2 3.85Å; F201-Y267 HydrophobicContact CE2-CE2 3.85Å; F201-Y267 AromaticContact CE2-CG 3.45Å; F201-Y267 HydrophobicContact CE2-CG 3.45Å; F201-Y267 VanDerWaalsContact CE2-CG 3.45Å; Y263-Y267 WeakPolarHBondContact O-CD2 3.41Å; L264-Y267 PolarHBondContact O-N 2.81Å; L264-Y267 VanDerWaalsContact O-N 3.12Å; K265-Y267 VanDerWaalsContact C-N 3.27Å; K265-Y267 PolarHBondContact O-N 3.06Å; Y267-Q386 VanDerWaalsContact CE1-OE1 3.25Å; Y267-K413 HydrophobicContact CD1-CB 4.39Å; Y267-K413 WeakPolarHBondContact O-CD 3.49Å; Y267-K413 WeakPolarHBondContact O-CE 3.25Å; Y267-T414 HydrophobicContact CD1-CG2 4.12Å; Y267-T414 HydrophobicContact CE1-CG2 4.38Å
268L98.3Very high97.2Very high31 Ų3134.6 Ų34.616%0.16219%0.189CC..Hα-helixtrans-94.8-24.9-176.2-63169.9000113V251 L254 L264 P270 F378 L382V251-L268 HydrophobicContact CG1-CD1 3.82Å; L254-L268 HydrophobicContact CD1-CB 4.05Å; L254-L268 HydrophobicContact CD1-CD1 3.79Å; L254-L268 HydrophobicContact CD1-CD2 3.95Å; L254-L268 HydrophobicContact CD1-CG 4.14Å; L264-L268 HydrophobicContact CB-CD1 4.07Å; L264-L268 WeakPolarHBondContact O-CB 3.43Å; L264-L268 WeakPolarHBondContact O-CG 3.5Å; L264-L268 PolarHBondContact O-N 2.89Å; L268-P270 VanDerWaalsContact C-CD 3.44Å; L268-F378 HydrophobicContact CD2-CZ 4.15Å; L268-L382 HydrophobicContact CD2-CD1 4.18Å; L268-L382 HydrophobicContact CD2-CD2 4.36Å
269F98.1Very high97Very high47 Ų4736.7 Ų36.721%0.20620%0.203CC..  trans-133.551176.8-55.6-84.8000112D250 V251 L254 K265 D271 Y272 V273D250-F269 HydrophobicContact CB-CE2 4.04Å; D250-F269 HydrophobicContact CB-CZ 3.89Å; D250-F269 WeakPolarHBondContact O-CZ 3.25Å; V251-F269 HydrophobicContact CG2-CD2 4.11Å; V251-F269 HydrophobicContact CG2-CE2 3.91Å; L254-F269 HydrophobicContact CD1-CZ 4.47Å; K265-F269 CarbonylContact O-C 3Å; K265-F269 WeakPolarHBondContact O-CA 3.37Å; K265-F269 PolarHBondContact O-N 3.33Å; F269-D271 VanDerWaalsContact C-N 3.26Å; F269-D271 PolarHBondContact O-N 2.86Å; F269-Y272 WeakPolarHBondContact O-CB 3.48Å; F269-Y272 PolarHBondContact O-N 2.99Å; F269-V273 WeakPolarHBondContact O-CG2 3.4Å; F269-V273 PolarHBondContact O-N 3.1Å; F269-V273 VanDerWaalsContact O-N 3.12Å
270P97.5Very high96.8Very high29 Ų2943.8 Ų43.819%0.18824%0.236CC..Hα-helixtrans-59.6-37.6-178.124.1-33000112.4Y266 L268 V273 V274Y266-P270 WeakPolarHBondContact O-CB 3.24Å; L268-P270 VanDerWaalsContact C-CD 3.44Å; P270-V273 PolarHBondContact O-N 3.21Å; P270-V274 VanDerWaalsContact O-CG2 3.32Å; P270-V274 WeakPolarHBondContact O-CG2 3.49Å; P270-V274 PolarHBondContact O-N 3.12Å
271D96.2Very high96.6Very high115 Ų11549.8 Ų49.862%0.61526%0.258SS*.Hα-helixtrans-59.8-47.1176.160.5-34000112.4F269 V273 V274 A275F269-D271 VanDerWaalsContact C-N 3.26Å; F269-D271 PolarHBondContact O-N 2.86Å; D271-V273 PolarHBondContact O-N 3.06Å; D271-V274 PolarHBondContact O-N 2.56Å; D271-A275 WeakPolarHBondContact O-CB 3.41Å; D271-A275 PolarHBondContact O-N 3.33Å
272Y96.2Very high96.5Very high55 Ų5550.2 Ų50.222%0.21626%0.261CS..Hα-helixtrans-58.7-47.6174.3172.4-94.6000111D243 K247 F269 A275 H276D243-Y272 PolarHBondContact OD1-OH 3.29Å; K247-Y272 HydrophobicContact CD-CD1 4.09Å; K247-Y272 HydrophobicContact CD-CE1 3.69Å; K247-Y272 HydrophobicContact CG-CE1 4.25Å; F269-Y272 WeakPolarHBondContact O-CB 3.48Å; F269-Y272 PolarHBondContact O-N 2.99Å; Y272-A275 PolarHBondContact O-N 3.46Å; Y272-H276 AromaticContact CD2-CE1 3.35Å; Y272-H276 WeakPolarHBondContact CD2-CE1 3.44Å; Y272-H276 AromaticContact CD2-ND1 3.54Å; Y272-H276 AromaticContact CE2-CE1 3.12Å; Y272-H276 WeakPolarHBondContact CE2-CE1 3.39Å; Y272-H276 AromaticContact CE2-ND1 3.47Å; Y272-H276 WeakPolarHBondContact CE2-ND1 3.43Å; Y272-H276 AromaticContact CE2-NE2 3.52Å; Y272-H276 AromaticContact CG-ND1 3.98Å; Y272-H276 AromaticContact CZ-CE1 3.85Å; Y272-H276 AromaticContact CZ-ND1 3.85Å; Y272-H276 PolarHBondContact O-N 3.47Å; Y272-H276 VanDerWaalsContact O-N 3.11Å; Y272-H276 PolarHBondContact O-ND1 2.99Å
273V96.3Very high96.3Very high12 Ų1252.2 Ų52.27%0.07327%0.268CS..Hα-helixtrans-65-43.1-177.3178.60000111.1L106 K265 Y266 F269 P270 D271 A275 H276 S277L106-V273 HydrophobicContact CD1-CB 4.08Å; L106-V273 HydrophobicContact CD1-CG1 3.4Å; K265-V273 HydrophobicContact CG-CG2 4.27Å; Y266-V273 HydrophobicContact CD1-CB 4.37Å; Y266-V273 HydrophobicContact CD1-CG1 3.86Å; Y266-V273 HydrophobicContact CD1-CG2 3.94Å; Y266-V273 HydrophobicContact CE1-CG1 3.84Å; Y266-V273 HydrophobicContact CE1-CG2 4.31Å; F269-V273 WeakPolarHBondContact O-CG2 3.4Å; F269-V273 PolarHBondContact O-N 3.1Å; F269-V273 VanDerWaalsContact O-N 3.12Å; P270-V273 PolarHBondContact O-N 3.21Å; D271-V273 PolarHBondContact O-N 3.06Å; V273-A275 PolarHBondContact O-N 3.29Å; V273-H276 PolarHBondContact O-N 2.87Å; V273-S277 WeakPolarHBondContact O-CB 3.33Å; V273-S277 PolarHBondContact O-N 3.47Å; V273-S277 PolarHBondContact O-OG 3.02Å
274V97Very high96.2Very high33 Ų3351.4 Ų51.420%0.227%0.265CS..Hα-helixtrans-60.8-45.91761720000110.7L101 V105 L106 P270 D271 H276 S277L101-V274 HydrophobicContact CD2-CG1 4.47Å; L101-V274 HydrophobicContact CD2-CG2 4.5Å; V105-V274 VanDerWaalsContact C-CG2 3.47Å; L106-V274 HydrophobicContact CB-CG2 4.48Å; P270-V274 VanDerWaalsContact O-CG2 3.32Å; P270-V274 WeakPolarHBondContact O-CG2 3.49Å; P270-V274 PolarHBondContact O-N 3.12Å; D271-V274 PolarHBondContact O-N 2.56Å; V274-H276 PolarHBondContact O-N 3.25Å; V274-S277 PolarHBondContact O-N 2.9Å
275A96Very high96.1Very high80 Ų8052.4 Ų52.466%0.66127%0.27SS*.Hα-helixtrans-63.9-24.7-179.600000114.2D271 Y272 V273D271-A275 WeakPolarHBondContact O-CB 3.41Å; D271-A275 PolarHBondContact O-N 3.33Å; Y272-A275 PolarHBondContact O-N 3.46Å; V273-A275 PolarHBondContact O-N 3.29Å
276H94Very high95.9Very high126 Ų12654.8 Ų54.858%0.58328%0.281SS*.THydrogen-bonded Turntrans-102.93.2179.1-65.174.4000113.2Y272 V273 V274Y272-H276 AromaticContact CD2-CE1 3.35Å; Y272-H276 WeakPolarHBondContact CD2-CE1 3.44Å; Y272-H276 AromaticContact CD2-ND1 3.54Å; Y272-H276 AromaticContact CE2-CE1 3.12Å; Y272-H276 WeakPolarHBondContact CE2-CE1 3.39Å; Y272-H276 AromaticContact CE2-ND1 3.47Å; Y272-H276 WeakPolarHBondContact CE2-ND1 3.43Å; Y272-H276 AromaticContact CE2-NE2 3.52Å; Y272-H276 AromaticContact CG-ND1 3.98Å; Y272-H276 AromaticContact CZ-CE1 3.85Å; Y272-H276 AromaticContact CZ-ND1 3.85Å; Y272-H276 PolarHBondContact O-N 3.47Å; Y272-H276 VanDerWaalsContact O-N 3.11Å; Y272-H276 PolarHBondContact O-ND1 2.99Å; V273-H276 PolarHBondContact O-N 2.87Å; V274-H276 PolarHBondContact O-N 3.25Å
277S93.9Very high95.7Very high40 Ų4053.6 Ų53.628%0.2828%0.277SS..  trans-88.6150.9175.7-650000111V273 V274 P279V273-S277 WeakPolarHBondContact O-CB 3.33Å; V273-S277 PolarHBondContact O-N 3.47Å; V273-S277 PolarHBondContact O-OG 3.02Å; V274-S277 PolarHBondContact O-N 2.9Å; S277-P279 WeakPolarHBondContact O-CD 3.46Å
278N93.8Very high95.5Very high87 Ų8755.2 Ų55.247%0.46529%0.285SS..  trans-103.1107.7171.8-178.7-15.5000109.7E280 R281N278-E280 PolarHBondContact O-N 3.29Å; N278-E280 PolarHBondContact OD1-N 3.47Å; N278-R281 WeakPolarHBondContact CB-O 3.22Å; N278-R281 CarbonylContact O-C 3.56Å; N278-R281 VanDerWaalsContact O-C 3.28Å; N278-R281 PolarHBondContact O-N 2.95Å; N278-R281 PolarHBondContact OD1-N 3.46Å
279P93.8Very high95.3Very high55 Ų5557.9 Ų57.936%0.35730%0.3SS..SBendtrans-62.2-24.4-178.7-23.534.6000114.4K98 L101 S277K98-P279 WeakPolarHBondContact CE-O 3.34Å; K98-P279 WeakPolarHBondContact CG-O 3.4Å; L101-P279 HydrophobicContact CB-CB 4.24Å; L101-P279 HydrophobicContact CB-CG 4.44Å; S277-P279 WeakPolarHBondContact O-CD 3.46Å
280E94.2Very high95Very high149 Ų14960.6 Ų60.670%0.69631%0.313SS*.SBendtrans-88.6-26.5-179.2-60.9-55140.500112.7K98 N278K98-E280 VanDerWaalsContact CE-O 3.25Å; K98-E280 WeakPolarHBondContact CE-O 3.41Å; K98-E280 PolarHBondContact NZ-O 3.23Å; N278-E280 PolarHBondContact O-N 3.29Å; N278-E280 PolarHBondContact OD1-N 3.47Å
281R95.2Very high94.7Very high128 Ų12861.8 Ų61.848%0.48331%0.314SS..SBendtrans-137.294.8179.6-170.6179-175.2-137.40.5110.7N278 N285 D289N278-R281 WeakPolarHBondContact CB-O 3.22Å; N278-R281 CarbonylContact O-C 3.56Å; N278-R281 VanDerWaalsContact O-C 3.28Å; N278-R281 PolarHBondContact O-N 2.95Å; N278-R281 PolarHBondContact OD1-N 3.46Å; R281-N285 HydrophobicContact CG-CB 3.84Å; R281-D289 IonicContact CZ-OD2 2.77Å; R281-D289 IonicContact NE-OD2 3.71Å; R281-D289 PolarHBondContact NE-OD2 3.38Å; R281-D289 IonicContact NH2-OD2 3.88Å; R281-D289 PolarHBondContact NH2-OD2 2.91Å
282T96Very high94.6Very high8 Ų858.1 Ų58.15%0.04929%0.293CS..  trans-91.4-179.2-175.362.20000112E97 K98 L101 A284 N285 E286E97-T282 HydrophobicContact CB-CG2 3.85Å; E97-T282 WeakPolarHBondContact OE2-CB 3.28Å; E97-T282 PolarHBondContact OE2-OG1 2.81Å; K98-T282 HydrophobicContact CD-CG2 4.48Å; K98-T282 HydrophobicContact CG-CG2 3.52Å; L101-T282 HydrophobicContact CD1-CG2 4Å; T282-A284 VanDerWaalsContact C-N 3.27Å; T282-A284 PolarHBondContact O-N 3.33Å; T282-N285 PolarHBondContact N-OD1 3.2Å; T282-N285 WeakPolarHBondContact O-CB 3.37Å; T282-N285 PolarHBondContact O-N 3.48Å; T282-N285 PolarHBondContact OG1-OD1 2.92Å; T282-E286 PolarHBondContact O-N 3.45Å
283R94.5Very high94.5Very high44 Ų4461.8 Ų61.817%0.16631%0.31CS..Hα-helixtrans-63.5-34.1179.9-179.159.9-177.81481.3111.8E97 E238 N285 E286 V287E97-R283 PolarHBondContact OE2-N 3.27Å; E238-R283 IonicContact OE1-CZ 2.64Å; E238-R283 IonicContact OE1-NH1 2.72Å; E238-R283 IonicContact OE1-NH2 3.14Å; E238-R283 PolarHBondContact OE1-NH2 2.91Å; E238-R283 IonicContact OE2-CZ 3.6Å; E238-R283 VanDerWaalsContact OE2-CZ 3.25Å; E238-R283 IonicContact OE2-NH1 2.67Å; E238-R283 PolarHBondContact OE2-NH1 3.42Å; E238-R283 IonicContact OE2-NH2 3.54Å; E238-R283 PolarHBondContact OE2-NH2 3.48Å; E238-R283 VanDerWaalsContact OE2-NH2 3.08Å; R283-N285 VanDerWaalsContact C-N 3.27Å; R283-N285 PolarHBondContact O-N 2.99Å; R283-E286 WeakPolarHBondContact CD-OE2 3.39Å; R283-E286 IonicContact CZ-OE2 3.07Å; R283-E286 IonicContact NE-OE2 2.75Å; R283-E286 IonicContact NH1-OE2 2.7Å; R283-E286 PolarHBondContact NH1-OE2 3.25Å; R283-E286 PolarHBondContact O-N 3.37Å; R283-V287 WeakPolarHBondContact O-CB 3.45Å; R283-V287 WeakPolarHBondContact O-CG2 3.43Å; R283-V287 PolarHBondContact O-N 3.27Å
284A96.6Very high94.5Very high0 Ų065 Ų650%033%0.326CS..Hα-helixtrans-57.5-41.7172.900000111.5R93 E94 E97 T282 V287 M288R93-A284 HydrophobicContact CB-CB 4.14Å; R93-A284 HydrophobicContact CG-CB 3.89Å; E94-A284 HydrophobicContact CB-CB 3.85Å; E97-A284 WeakPolarHBondContact OE2-CB 3.29Å; E97-A284 PolarHBondContact OE2-N 3.35Å; T282-A284 VanDerWaalsContact C-N 3.27Å; T282-A284 PolarHBondContact O-N 3.33Å; A284-V287 PolarHBondContact O-N 3.24Å; A284-M288 WeakPolarHBondContact O-CG 3.46Å; A284-M288 PolarHBondContact O-N 2.75Å
285N96.4Very high94.4Very high22 Ų2264.4 Ų64.412%0.11832%0.323CS..Hα-helixtrans-66.2-45.2177.4-57.6113.8000111.4E94 K98 R281 T282 R283 V287 M288 D289E94-N285 PolarHBondContact OE1-ND2 2.96Å; K98-N285 WeakPolarHBondContact CE-OD1 3.44Å; R281-N285 HydrophobicContact CG-CB 3.84Å; T282-N285 PolarHBondContact N-OD1 3.2Å; T282-N285 WeakPolarHBondContact O-CB 3.37Å; T282-N285 PolarHBondContact O-N 3.48Å; T282-N285 PolarHBondContact OG1-OD1 2.92Å; R283-N285 VanDerWaalsContact C-N 3.27Å; R283-N285 PolarHBondContact O-N 2.99Å; N285-V287 VanDerWaalsContact C-N 3.28Å; N285-V287 PolarHBondContact O-N 2.9Å; N285-M288 PolarHBondContact O-N 3.43Å; N285-D289 WeakPolarHBondContact O-CB 3.31Å; N285-D289 PolarHBondContact O-N 3.17Å
286E93.4Very high94.5Very high57 Ų5761.5 Ų61.527%0.26630%0.296SS..Hα-helixtrans-56.7-43.2174.9-64.1176.6174.100112T282 R283 D289 H290T282-E286 PolarHBondContact O-N 3.45Å; R283-E286 WeakPolarHBondContact CD-OE2 3.39Å; R283-E286 IonicContact CZ-OE2 3.07Å; R283-E286 IonicContact NE-OE2 2.75Å; R283-E286 IonicContact NH1-OE2 2.7Å; R283-E286 PolarHBondContact NH1-OE2 3.25Å; R283-E286 PolarHBondContact O-N 3.37Å; E286-D289 PolarHBondContact O-N 3.38Å; E286-H290 VanDerWaalsContact O-CB 3.3Å; E286-H290 WeakPolarHBondContact O-CB 3.28Å; E286-H290 PolarHBondContact O-N 2.89Å
287V93.5Very high94.6Very high2 Ų258 Ų581%0.01229%0.285CS..Hα-helixtrans-64.2-42.5178.2163.70000112.2Y90 R283 A284 N285 R291 E292Y90-V287 HydrophobicContact CD1-CG1 3.98Å; Y90-V287 HydrophobicContact CD2-CG1 4.24Å; Y90-V287 HydrophobicContact CE1-CG1 3.47Å; Y90-V287 VanDerWaalsContact CE1-CG1 3.47Å; Y90-V287 HydrophobicContact CE2-CG1 3.76Å; Y90-V287 HydrophobicContact CG-CG1 4.35Å; R283-V287 WeakPolarHBondContact O-CB 3.45Å; R283-V287 WeakPolarHBondContact O-CG2 3.43Å; R283-V287 PolarHBondContact O-N 3.27Å; A284-V287 PolarHBondContact O-N 3.24Å; N285-V287 VanDerWaalsContact C-N 3.28Å; N285-V287 PolarHBondContact O-N 2.9Å; V287-R291 PolarHBondContact O-N 3.37Å; V287-E292 PolarHBondContact O-N 3.46Å
288M95Very high94.8Very high40 Ų4056.5 Ų56.520%0.19728%0.275CS..Iπ-helixtrans-67.1-45.5177.3-72.1-174.9-70.900111.3Y90 A284 N285 H290 K293Y90-M288 VanDerWaalsContact CB-SD 3.58Å; Y90-M288 HydrophobicContact CD2-CG 3.93Å; Y90-M288 HydrophobicContact CG-CG 3.99Å; A284-M288 WeakPolarHBondContact O-CG 3.46Å; A284-M288 PolarHBondContact O-N 2.75Å; N285-M288 PolarHBondContact O-N 3.43Å; M288-H290 VanDerWaalsContact C-N 3.28Å; M288-H290 PolarHBondContact O-N 2.77Å; M288-K293 PolarHBondContact O-N 3.49Å
289D93.9Very high95Very high87 Ų8752.4 Ų52.447%0.46525%0.253SS..Iπ-helixtrans-65.1-30.7-178.7-70.6-18.8000113R281 N285 E286R281-D289 IonicContact CZ-OD2 2.77Å; R281-D289 IonicContact NE-OD2 3.71Å; R281-D289 PolarHBondContact NE-OD2 3.38Å; R281-D289 IonicContact NH2-OD2 3.88Å; R281-D289 PolarHBondContact NH2-OD2 2.91Å; N285-D289 WeakPolarHBondContact O-CB 3.31Å; N285-D289 PolarHBondContact O-N 3.17Å; E286-D289 PolarHBondContact O-N 3.38Å
290H91.1Very high95.2Very high104 Ų10455.8 Ų55.848%0.48126%0.259SS..Iπ-helixtrans-111.6-80.4-174.4-171.574.5000112.6E286 M288 E292 K293 N294E286-H290 VanDerWaalsContact O-CB 3.3Å; E286-H290 WeakPolarHBondContact O-CB 3.28Å; E286-H290 PolarHBondContact O-N 2.89Å; M288-H290 VanDerWaalsContact C-N 3.28Å; M288-H290 PolarHBondContact O-N 2.77Å; H290-E292 PolarHBondContact O-N 3.05Å; H290-K293 PolarHBondContact O-N 2.65Å; H290-N294 PolarHBondContact CE1-ND2 3.31Å; H290-N294 VanDerWaalsContact CE1-ND2 3.28Å; H290-N294 PolarHBondContact ND1-ND2 3.17Å; H290-N294 VanDerWaalsContact O-CB 3.29Å; H290-N294 WeakPolarHBondContact O-CB 3.04Å; H290-N294 PolarHBondContact O-N 3.44Å; H290-N294 PolarHBondContact O-ND2 3.16Å
291R91.6Very high95.4Very high54 Ų5450.5 Ų50.520%0.20424%0.241CC..Iπ-helixtrans-59.3-50.9-170.7178.4173.863-142.63.2112.3T14 Y90 V287 N294 V295T14-R291 PolarHBondContact OG1-NE 3.09Å; Y90-R291 PolarHBondContact OH-NH2 2.98Å; Y90-R291 VanDerWaalsContact OH-NH2 3.13Å; V287-R291 PolarHBondContact O-N 3.37Å; R291-N294 PolarHBondContact O-N 3.41Å; R291-V295 HydrophobicContact CG-CG2 4.25Å; R291-V295 WeakPolarHBondContact O-CB 3.27Å; R291-V295 VanDerWaalsContact O-CG2 3.28Å; R291-V295 WeakPolarHBondContact O-CG2 3.4Å; R291-V295 PolarHBondContact O-N 3.32Å
292E94.1Very high95.6Very high37 Ų3744.4 Ų44.417%0.17322%0.218CC..Iπ-helixtrans-62.7-48.3-178.3-174.8173.6-123.300111.3T14 R44 Y90 V287 H290 N294 F296T14-E292 HydrophobicContact CG2-CB 3.93Å; T14-E292 HydrophobicContact CG2-CG 3.97Å; R44-E292 IonicContact CZ-OE1 3.8Å; R44-E292 IonicContact NH1-OE1 2.85Å; R44-E292 PolarHBondContact NH1-OE1 3.2Å; R44-E292 IonicContact NH2-OE1 3.07Å; R44-E292 PolarHBondContact NH2-OE1 3.28Å; Y90-E292 HydrophobicContact CD2-CB 4.49Å; Y90-E292 WeakPolarHBondContact CD2-OE1 3.4Å; Y90-E292 HydrophobicContact CE2-CB 4.14Å; Y90-E292 HydrophobicContact CE2-CG 4.37Å; V287-E292 PolarHBondContact O-N 3.46Å; H290-E292 PolarHBondContact O-N 3.05Å; E292-N294 PolarHBondContact O-N 3.34Å; E292-F296 HydrophobicContact CG-CD2 3.94Å; E292-F296 HydrophobicContact CG-CE2 4.15Å; E292-F296 WeakPolarHBondContact O-CB 3.42Å; E292-F296 WeakPolarHBondContact O-CD2 3.47Å; E292-F296 PolarHBondContact O-N 3.14Å; E292-F296 VanDerWaalsContact O-N 3.09Å
293K94.7Very high95.7Very high133 Ų13347.5 Ų47.558%0.57823%0.233SC*.Hα-helixtrans-57.9-46177.3-175.2177.5177.9-179.20112.4M288 H290 S297M288-K293 PolarHBondContact O-N 3.49Å; H290-K293 PolarHBondContact O-N 2.65Å; K293-S297 VanDerWaalsContact O-CB 3.22Å; K293-S297 WeakPolarHBondContact O-CB 3.3Å; K293-S297 PolarHBondContact O-N 3.42Å; K293-S297 PolarHBondContact O-OG 2.97Å
294N95Very high95.8Very high78 Ų7849.7 Ų49.742%0.41726%0.261SS..Hα-helixtrans-68.5-50.3-177-70.6-9.5000111.6H290 R291 E292 F296 S297 A298H290-N294 PolarHBondContact CE1-ND2 3.31Å; H290-N294 VanDerWaalsContact CE1-ND2 3.28Å; H290-N294 PolarHBondContact ND1-ND2 3.17Å; H290-N294 VanDerWaalsContact O-CB 3.29Å; H290-N294 WeakPolarHBondContact O-CB 3.04Å; H290-N294 PolarHBondContact O-N 3.44Å; H290-N294 PolarHBondContact O-ND2 3.16Å; R291-N294 PolarHBondContact O-N 3.41Å; E292-N294 PolarHBondContact O-N 3.34Å; N294-F296 PolarHBondContact O-N 2.89Å; N294-S297 PolarHBondContact O-N 2.99Å; N294-S297 VanDerWaalsContact O-N 3.14Å; N294-A298 WeakPolarHBondContact O-CB 3.17Å; N294-A298 PolarHBondContact O-N 3.12Å
295V96.3Very high95.9Very high22 Ų2252.4 Ų52.413%0.13328%0.284CS..Hα-helixtrans-58.9-49.8-180171.10000111P17 I48 R291 S297 A298 C299 L313P17-V295 HydrophobicContact CG-CG1 3.95Å; I48-V295 HydrophobicContact CD1-CG1 3.97Å; R291-V295 HydrophobicContact CG-CG2 4.25Å; R291-V295 WeakPolarHBondContact O-CB 3.27Å; R291-V295 VanDerWaalsContact O-CG2 3.28Å; R291-V295 WeakPolarHBondContact O-CG2 3.4Å; R291-V295 PolarHBondContact O-N 3.32Å; V295-S297 VanDerWaalsContact C-N 3.28Å; V295-S297 PolarHBondContact O-N 3.17Å; V295-A298 PolarHBondContact O-N 3.33Å; V295-C299 PolarHBondContact O-N 3.39Å; V295-C299 PolarHBondContact O-SG 3.01Å; V295-L313 HydrophobicContact CG1-CD2 4.23Å
296F97.4Very high96Very high19 Ų1953.4 Ų53.48%0.08330%0.299CS..Hα-helixtrans-67.1-29.7179.5-84.1-93.5000112.7T14 R44 T47 I48 E292 N294 R300T14-F296 HydrophobicContact CG2-CD2 4.39Å; T14-F296 HydrophobicContact CG2-CE2 4.02Å; R44-F296 HydrophobicContact CG-CE1 3.98Å; R44-F296 HydrophobicContact CG-CZ 3.6Å; T47-F296 HydrophobicContact CG2-CD1 3.79Å; T47-F296 HydrophobicContact CG2-CE1 4.3Å; I48-F296 HydrophobicContact CD1-CE1 4.21Å; I48-F296 HydrophobicContact CD1-CE2 4.26Å; I48-F296 HydrophobicContact CD1-CZ 4.06Å; I48-F296 HydrophobicContact CG1-CE1 4.13Å; I48-F296 HydrophobicContact CG1-CZ 3.99Å; E292-F296 HydrophobicContact CG-CD2 3.94Å; E292-F296 HydrophobicContact CG-CE2 4.15Å; E292-F296 WeakPolarHBondContact O-CB 3.42Å; E292-F296 WeakPolarHBondContact O-CD2 3.47Å; E292-F296 PolarHBondContact O-N 3.14Å; E292-F296 VanDerWaalsContact O-N 3.09Å; N294-F296 PolarHBondContact O-N 2.89Å; F296-R300 WeakPolarHBondContact O-CG 3.11Å; F296-R300 VanDerWaalsContact O-CZ 3.29Å; F296-R300 PolarHBondContact O-N 2.73Å; F296-R300 VanDerWaalsContact O-N 3.1Å; F296-R300 PolarHBondContact O-NE 2.95Å
297S97.4Very high96.1Very high51 Ų5156.7 Ų56.736%0.35731%0.312SS..Hα-helixtrans-72-42174.9-600000111.9K293 N294 V295 R300 A301K293-S297 VanDerWaalsContact O-CB 3.22Å; K293-S297 WeakPolarHBondContact O-CB 3.3Å; K293-S297 PolarHBondContact O-N 3.42Å; K293-S297 PolarHBondContact O-OG 2.97Å; N294-S297 PolarHBondContact O-N 2.99Å; N294-S297 VanDerWaalsContact O-N 3.14Å; V295-S297 VanDerWaalsContact C-N 3.28Å; V295-S297 PolarHBondContact O-N 3.17Å; S297-R300 PolarHBondContact O-N 2.7Å; S297-R300 PolarHBondContact OG-NH2 3.44Å; S297-A301 PolarHBondContact O-N 2.95Å
298A97.6Very high96.1Very high10 Ų1057.7 Ų57.78%0.08332%0.319CS..Hα-helixtrans-60.9-46.2173.400000111.3N294 V295 R300 A301 I302 D312 L313N294-A298 WeakPolarHBondContact O-CB 3.17Å; N294-A298 PolarHBondContact O-N 3.12Å; V295-A298 PolarHBondContact O-N 3.33Å; A298-R300 PolarHBondContact O-N 3.13Å; A298-A301 PolarHBondContact O-N 3.41Å; A298-A301 VanDerWaalsContact O-N 3.16Å; A298-I302 WeakPolarHBondContact O-CG1 3.45Å; A298-I302 PolarHBondContact O-N 2.84Å; A298-D312 WeakPolarHBondContact CB-O 3.39Å; A298-L313 HydrophobicContact CB-CD2 3.81Å; A298-L313 HydrophobicContact CB-CG 4.04Å
299C98.2Very high96.1Very high0 Ų061.8 Ų61.80%035%0.347CS..Hα-helixtrans-58.4-45175.4-69.50000112.3T47 A51 V295 A301 I302 I303T47-C299 HydrophobicContact CG2-CB 4.14Å; A51-C299 HydrophobicContact CB-CB 3.6Å; V295-C299 PolarHBondContact O-N 3.39Å; V295-C299 PolarHBondContact O-SG 3.01Å; C299-A301 VanDerWaalsContact C-N 3.34Å; C299-A301 PolarHBondContact O-N 3.3Å; C299-I302 PolarHBondContact O-N 3.44Å; C299-I303 WeakPolarHBondContact O-CD1 3.39Å; C299-I303 VanDerWaalsContact O-CG1 3.27Å; C299-I303 WeakPolarHBondContact O-CG1 3.24Å; C299-I303 PolarHBondContact O-N 2.81Å
300R98.2Very high96.1Very high126 Ų12659.7 Ų59.748%0.47534%0.342SS..Hα-helixtrans-62.1-39.4175.4-76.3-175.5-66.1-94.2-1.5112.8T47 F296 S297 A298 I303 A304T47-R300 HydrophobicContact CG2-CG 4.05Å; F296-R300 WeakPolarHBondContact O-CG 3.11Å; F296-R300 VanDerWaalsContact O-CZ 3.29Å; F296-R300 PolarHBondContact O-N 2.73Å; F296-R300 VanDerWaalsContact O-N 3.1Å; F296-R300 PolarHBondContact O-NE 2.95Å; S297-R300 PolarHBondContact O-N 2.7Å; S297-R300 PolarHBondContact OG-NH2 3.44Å; A298-R300 PolarHBondContact O-N 3.13Å; R300-I303 PolarHBondContact O-N 3.5Å; R300-A304 WeakPolarHBondContact O-CB 3.38Å; R300-A304 PolarHBondContact O-N 2.87Å
301A98.3Very high96.1Very high38 Ų3855.6 Ų55.631%0.31433%0.327SS..Hα-helixtrans-64.6-42.6177.200000111.8S297 A298 C299 A304 A305 A310S297-A301 PolarHBondContact O-N 2.95Å; A298-A301 PolarHBondContact O-N 3.41Å; A298-A301 VanDerWaalsContact O-N 3.16Å; C299-A301 VanDerWaalsContact C-N 3.34Å; C299-A301 PolarHBondContact O-N 3.3Å; A301-A304 PolarHBondContact O-N 3.27Å; A301-A305 WeakPolarHBondContact O-CB 3.25Å; A301-A305 PolarHBondContact O-N 3.25Å; A301-A310 VanDerWaalsContact CB-O 3.31Å; A301-A310 WeakPolarHBondContact CB-O 3.38Å
302I98.3Very high96.1Very high1 Ų159.3 Ų59.31%0.00535%0.351CS..Hα-helixtrans-59.5-47.2174.2-68.9167000111A51 V54 I55 A298 C299 A305 G306 K307 L313A51-I302 HydrophobicContact CB-CB 4.29Å; A51-I302 HydrophobicContact CB-CG2 4.17Å; V54-I302 HydrophobicContact CB-CG2 3.83Å; V54-I302 HydrophobicContact CG1-CG2 3.89Å; V54-I302 HydrophobicContact CG2-CG2 4.27Å; I55-I302 HydrophobicContact CD1-CD1 4.32Å; A298-I302 WeakPolarHBondContact O-CG1 3.45Å; A298-I302 PolarHBondContact O-N 2.84Å; C299-I302 PolarHBondContact O-N 3.44Å; I302-A305 PolarHBondContact O-N 3.41Å; I302-G306 WeakPolarHBondContact O-CA 3.34Å; I302-G306 PolarHBondContact O-N 3.07Å; I302-K307 PolarHBondContact O-N 3.32Å; I302-L313 HydrophobicContact CD1-CD1 3.49Å; I302-L313 VanDerWaalsContact CD1-CD1 3.49Å; I302-L313 HydrophobicContact CD1-CG 4.2Å
303I97.9Very high95.9Very high72 Ų7258.9 Ų58.937%0.36935%0.35SS..Hα-helixtrans-61.1-49178.5-67.4162.9000110.6T47 E50 A51 C299 R300 A305 G306T47-I303 HydrophobicContact CG2-CD1 4.48Å; T47-I303 WeakPolarHBondContact O-CD1 3.43Å; E50-I303 HydrophobicContact CB-CD1 3.86Å; E50-I303 HydrophobicContact CB-CG1 3.97Å; A51-I303 HydrophobicContact CB-CD1 4.38Å; A51-I303 HydrophobicContact CB-CG1 4.18Å; C299-I303 WeakPolarHBondContact O-CD1 3.39Å; C299-I303 VanDerWaalsContact O-CG1 3.27Å; C299-I303 WeakPolarHBondContact O-CG1 3.24Å; C299-I303 PolarHBondContact O-N 2.81Å; R300-I303 PolarHBondContact O-N 3.5Å; I303-A305 VanDerWaalsContact C-N 3.34Å; I303-A305 PolarHBondContact O-N 3.3Å; I303-G306 PolarHBondContact O-N 3.07Å
304A98Very high95.4Very high91 Ų9158.7 Ų58.775%0.75235%0.351SS*.Hα-helixtrans-64.4-36.9-177.400000112.9R300 A301R300-A304 WeakPolarHBondContact O-CB 3.38Å; R300-A304 PolarHBondContact O-N 2.87Å; A301-A304 PolarHBondContact O-N 3.27Å
305A97.9Very high94.8Very high57 Ų5759.5 Ų59.547%0.47136%0.355SS..Hα-helixtrans-86.1-19.7179.400000113.7A301 I302 I303 K307 A310A301-A305 WeakPolarHBondContact O-CB 3.25Å; A301-A305 PolarHBondContact O-N 3.25Å; I302-A305 PolarHBondContact O-N 3.41Å; I303-A305 VanDerWaalsContact C-N 3.34Å; I303-A305 PolarHBondContact O-N 3.3Å; A305-K307 PolarHBondContact O-N 3.41Å; A305-A310 HydrophobicContact CB-CB 3.39Å
306G97.4Very high93.6Very high43 Ų4359.7 Ų59.744%0.44336%0.355SS..THydrogen-bonded Turntrans63.925.1-172.600000113.7I302 I303I302-G306 WeakPolarHBondContact O-CA 3.34Å; I302-G306 PolarHBondContact O-N 3.07Å; I303-G306 PolarHBondContact O-N 3.07Å
307K96.5Very high92.2Very high125 Ų12566.2 Ų66.254%0.54339%0.386SS..SBendtrans-141.7137.4-178.5-65.4-176.3179.8-178.90111.4E58 I302 A305 T309 A310E58-K307 WeakPolarHBondContact OE1-CA 3.33Å; I302-K307 PolarHBondContact O-N 3.32Å; A305-K307 PolarHBondContact O-N 3.41Å; K307-T309 VanDerWaalsContact C-N 3.26Å; K307-T309 PolarHBondContact O-N 3.3Å; K307-A310 WeakPolarHBondContact O-CB 3.34Å; K307-A310 PolarHBondContact O-N 3.11Å
308S93.8Very high90.7Very high23 Ų2367.4 Ų67.416%0.16139%0.386CS..G310 helixtrans-61.7-33.8-179.659.50000113.3E58 A310 G311E58-S308 WeakPolarHBondContact OE2-CB 3.45Å; E58-S308 PolarHBondContact OE2-N 3.26Å; E58-S308 VanDerWaalsContact OE2-N 3.14Å; E58-S308 PolarHBondContact OE2-OG 2.92Å; S308-A310 PolarHBondContact O-N 3.09Å; S308-A310 VanDerWaalsContact O-N 3.07Å; S308-G311 PolarHBondContact O-N 2.81Å
309T94.4Very high89.5Confident126 Ų12667 Ų6777%0.77338%0.382SS*.G310 helixtrans-68.5-6.1-177.956.50000114.7K307K307-T309 VanDerWaalsContact C-N 3.26Å; K307-T309 PolarHBondContact O-N 3.3Å
310A94.8Very high88.8Confident44 Ų4468.8 Ų68.836%0.36439%0.394SS..G310 helixtrans-82.7-13.4178.600000113.8A301 A305 K307 S308A301-A310 VanDerWaalsContact CB-O 3.31Å; A301-A310 WeakPolarHBondContact CB-O 3.38Å; A305-A310 HydrophobicContact CB-CB 3.39Å; K307-A310 WeakPolarHBondContact O-CB 3.34Å; K307-A310 PolarHBondContact O-N 3.11Å; S308-A310 PolarHBondContact O-N 3.09Å; S308-A310 VanDerWaalsContact O-N 3.07Å
311G90.5Very high88.3Confident17 Ų1763.2 Ų63.218%0.17537%0.374CS..SBendtrans-123.1145176.300000110.8S308S308-G311 PolarHBondContact O-N 2.81Å
312D90.6Very high88Confident132 Ų13261.6 Ų61.671%0.70636%0.359SS*.  trans-93.3102.8174-162.910.3000108.7A298A298-D312 WeakPolarHBondContact CB-O 3.39Å
313L90.8Very high87.8Confident29 Ų2961.5 Ų61.515%0.15236%0.359CS..  trans-123.9121.7176.5-68173000107.4P17 L21 I55 V295 A298 I302P17-L313 HydrophobicContact CB-CD1 3.89Å; P17-L313 HydrophobicContact CB-CD2 4.08Å; P17-L313 HydrophobicContact CB-CG 4.48Å; P17-L313 HydrophobicContact CG-CD2 4.46Å; L21-L313 HydrophobicContact CD1-CB 3.84Å; L21-L313 WeakPolarHBondContact CD1-O 3.17Å; I55-L313 HydrophobicContact CD1-CD1 3.94Å; V295-L313 HydrophobicContact CG1-CD2 4.23Å; A298-L313 HydrophobicContact CB-CD2 3.81Å; A298-L313 HydrophobicContact CB-CG 4.04Å; I302-L313 HydrophobicContact CD1-CD1 3.49Å; I302-L313 VanDerWaalsContact CD1-CD1 3.49Å; I302-L313 HydrophobicContact CD1-CG 4.2Å
314E84.7Confident87.7Confident128 Ų12858.5 Ų58.560%0.59834%0.344SS*.  trans-91.5151.1-178.2-64.7179.5165.100111.1G18 D316G18-E314 WeakPolarHBondContact CA-O 3.44Å; E314-D316 PolarHBondContact O-N 3.36Å
315I81.2Confident87.6Confident96 Ų9654.1 Ų54.149%0.49231%0.308SS..  trans-66.8127.8169.4-68174.6000107.8L21 M22 A25 E317L21-I315 HydrophobicContact CB-CG1 3.92Å; M22-I315 HydrophobicContact CB-CG2 4.29Å; M22-I315 HydrophobicContact CE-CG2 3.15Å; M22-I315 HydrophobicContact SD-CG2 3.99Å; A25-I315 HydrophobicContact CB-CD1 4.39Å; I315-E317 PolarHBondContact O-N 3.38Å
316D72.1Confident87.6Confident26 Ų2651.4 Ų51.414%0.13929%0.285CS..  trans-81.5114.4178.5-175.83.3000110.2F15 M22 E314 H318 A319F15-D316 VanDerWaalsContact CD1-OD2 3.3Å; F15-D316 WeakPolarHBondContact CD1-OD2 3.22Å; M22-D316 WeakPolarHBondContact CE-O 3.48Å; E314-D316 PolarHBondContact O-N 3.36Å; D316-H318 PolarHBondContact O-N 2.95Å; D316-H318 VanDerWaalsContact O-N 3.17Å; D316-H318 WeakPolarHBondContact OD1-CB 3.5Å; D316-H318 IonicContact OD1-CD2 2.71Å; D316-H318 IonicContact OD1-CG 3.04Å; D316-H318 PolarHBondContact OD1-N 3.36Å; D316-H318 IonicContact OD1-ND1 2.55Å; D316-H318 PolarHBondContact OD1-ND1 3.31Å; D316-H318 IonicContact OD2-ND1 3.83Å; D316-A319 HydrophobicContact CB-CB 4.13Å; D316-A319 VanDerWaalsContact O-CB 3.29Å; D316-A319 WeakPolarHBondContact O-CB 3.46Å; D316-A319 PolarHBondContact O-N 3.35Å
317E67.8Low87.5Confident156 Ų15649.9 Ų49.973%0.72927%0.267SS*.Hα-helixtrans-54.5-33.4174.5-74.8-167.5164.800111.6I315 A319 S320I315-E317 PolarHBondContact O-N 3.38Å; E317-A319 PolarHBondContact O-N 3.23Å; E317-S320 WeakPolarHBondContact O-CB 3.35Å; E317-S320 PolarHBondContact O-N 3.26Å; E317-S320 VanDerWaalsContact O-N 3.08Å; E317-S320 PolarHBondContact O-OG 2.71Å
318H65.5Low87.6Confident76 Ų7644 Ų4435%0.35224%0.242SC..Hα-helixtrans-61-29.7177.2-54164.8000112.3Y145 D170 D316 S320Y145-H318 PolarHBondContact OH-O 2.81Å; D170-H318 HydrophobicContact CB-CB 4.04Å; D170-H318 WeakPolarHBondContact OD2-CB 3.49Å; D170-H318 IonicContact OD2-CD2 2.76Å; D170-H318 PolarHBondContact OD2-CD2 3.46Å; D170-H318 IonicContact OD2-CE1 3.16Å; D170-H318 PolarHBondContact OD2-CE1 2.53Å; D170-H318 IonicContact OD2-CG 2.74Å; D170-H318 IonicContact OD2-ND1 2.98Å; D170-H318 PolarHBondContact OD2-ND1 3.43Å; D170-H318 IonicContact OD2-NE2 2.67Å; D316-H318 PolarHBondContact O-N 2.95Å; D316-H318 VanDerWaalsContact O-N 3.17Å; D316-H318 WeakPolarHBondContact OD1-CB 3.5Å; D316-H318 IonicContact OD1-CD2 2.71Å; D316-H318 IonicContact OD1-CG 3.04Å; D316-H318 PolarHBondContact OD1-N 3.36Å; D316-H318 IonicContact OD1-ND1 2.55Å; D316-H318 PolarHBondContact OD1-ND1 3.31Å; D316-H318 IonicContact OD2-ND1 3.83Å; H318-S320 VanDerWaalsContact C-N 3.32Å; H318-S320 PolarHBondContact O-N 3.02Å
319A72.9Confident87.8Confident2 Ų243.2 Ų43.22%0.01724%0.236CC..Hα-helixtrans-76.2-16.3179.500000113.1I19 M22 D316 E317 Y321 I322 V323I19-A319 HydrophobicContact CB-CB 4.25Å; I19-A319 HydrophobicContact CG1-CB 3.75Å; M22-A319 HydrophobicContact CB-CB 3.53Å; M22-A319 HydrophobicContact CG-CB 3.69Å; M22-A319 WeakPolarHBondContact CG-O 3.49Å; D316-A319 HydrophobicContact CB-CB 4.13Å; D316-A319 VanDerWaalsContact O-CB 3.29Å; D316-A319 WeakPolarHBondContact O-CB 3.46Å; D316-A319 PolarHBondContact O-N 3.35Å; E317-A319 PolarHBondContact O-N 3.23Å; A319-Y321 PolarHBondContact O-N 2.85Å; A319-I322 HydrophobicContact CB-CG2 4.47Å; A319-I322 VanDerWaalsContact O-CG2 3.23Å; A319-I322 WeakPolarHBondContact O-CG2 3.39Å; A319-I322 PolarHBondContact O-N 2.87Å; A319-V323 PolarHBondContact O-N 3.28Å
320S82.5Confident87.9Confident36 Ų3638.6 Ų38.625%0.25221%0.211SC..Hα-helixtrans-62.3-38176.961.60000110.7E317 H318 V323 D324E317-S320 WeakPolarHBondContact O-CB 3.35Å; E317-S320 PolarHBondContact O-N 3.26Å; E317-S320 VanDerWaalsContact O-N 3.08Å; E317-S320 PolarHBondContact O-OG 2.71Å; H318-S320 VanDerWaalsContact C-N 3.32Å; H318-S320 PolarHBondContact O-N 3.02Å; S320-V323 PolarHBondContact O-N 2.87Å; S320-D324 PolarHBondContact O-N 3.27Å
321Y89.3Confident88Confident10 Ų1040 Ų404%0.03921%0.209CC..Hα-helixtrans-68.5-37.9-179.5-175-135.1000113.6Y145 I168 I173 A319 V323 D324 L325 M337 L338 L339Y145-Y321 WeakPolarHBondContact OH-CB 3.41Å; Y145-Y321 VanDerWaalsContact OH-CD1 3.26Å; Y145-Y321 WeakPolarHBondContact OH-CD1 3.42Å; I168-Y321 HydrophobicContact CB-CE1 3.98Å; I168-Y321 HydrophobicContact CG2-CE1 4.19Å; I173-Y321 HydrophobicContact CD1-CD1 3.36Å; I173-Y321 HydrophobicContact CD1-CD2 3.21Å; I173-Y321 HydrophobicContact CD1-CE1 3.87Å; I173-Y321 HydrophobicContact CD1-CE2 3.75Å; I173-Y321 HydrophobicContact CD1-CG 2.99Å; I173-Y321 HydrophobicContact CG1-CG 4.47Å; A319-Y321 PolarHBondContact O-N 2.85Å; Y321-V323 PolarHBondContact O-N 3.17Å; Y321-D324 PolarHBondContact O-N 3.47Å; Y321-L325 WeakPolarHBondContact O-CB 3.45Å; Y321-L325 PolarHBondContact O-N 3Å; Y321-M337 HydrophobicContact CD2-SD 4.46Å; Y321-M337 HydrophobicContact CE2-CB 4.03Å; Y321-M337 HydrophobicContact CE2-CG 4.05Å; Y321-M337 HydrophobicContact CE2-SD 3.68Å; Y321-L338 PolarHBondContact OH-O 2.91Å; Y321-L339 WeakPolarHBondContact OH-CD2 3.33Å
322I91.9Very high88.3Confident3 Ų342.3 Ų42.32%0.01522%0.217CC..Hα-helixtrans-64.2-36.6177.7-157.6168.2000110.7M82 L143 Y145 A319 A326M82-I322 HydrophobicContact CB-CD1 3.53Å; M82-I322 HydrophobicContact CE-CD1 4.44Å; M82-I322 HydrophobicContact CE-CG1 4.21Å; M82-I322 HydrophobicContact CE-CG2 4.46Å; M82-I322 HydrophobicContact CG-CD1 3.4Å; M82-I322 HydrophobicContact CG-CG1 4.08Å; M82-I322 HydrophobicContact SD-CD1 3.71Å; M82-I322 HydrophobicContact SD-CG1 4.09Å; M82-I322 HydrophobicContact SD-CG2 4.16Å; L143-I322 HydrophobicContact CB-CD1 4.12Å; L143-I322 HydrophobicContact CB-CG1 3.98Å; L143-I322 HydrophobicContact CD1-CG1 3.81Å; Y145-I322 HydrophobicContact CD2-CD1 3.89Å; Y145-I322 HydrophobicContact CD2-CG1 4.49Å; Y145-I322 HydrophobicContact CE2-CB 3.66Å; Y145-I322 HydrophobicContact CE2-CD1 3.56Å; Y145-I322 HydrophobicContact CE2-CG1 3.7Å; Y145-I322 PolarHBondContact OH-N 3.01Å; Y145-I322 VanDerWaalsContact OH-N 3.16Å; A319-I322 HydrophobicContact CB-CG2 4.47Å; A319-I322 VanDerWaalsContact O-CG2 3.23Å; A319-I322 WeakPolarHBondContact O-CG2 3.39Å; A319-I322 PolarHBondContact O-N 2.87Å; I322-A326 VanDerWaalsContact O-CB 3.25Å; I322-A326 WeakPolarHBondContact O-CB 3.4Å; I322-A326 PolarHBondContact O-N 3.48Å
323V93.6Very high88.6Confident0 Ų039.2 Ų39.20%020%0.203CC..Hα-helixtrans-69.3-43.6175.3177.50000110.9M22 L23 N26 F30 A319 S320 Y321 L325 A326 T327M22-V323 HydrophobicContact CG-CG2 4.02Å; L23-V323 HydrophobicContact CD2-CG2 3.85Å; L23-V323 HydrophobicContact CG-CG2 4.48Å; N26-V323 HydrophobicContact CB-CG1 3.67Å; F30-V323 HydrophobicContact CB-CG1 4.03Å; A319-V323 PolarHBondContact O-N 3.28Å; S320-V323 PolarHBondContact O-N 2.87Å; Y321-V323 PolarHBondContact O-N 3.17Å; V323-L325 PolarHBondContact O-N 3.36Å; V323-A326 PolarHBondContact O-N 3.13Å; V323-T327 VanDerWaalsContact O-CB 3.22Å; V323-T327 WeakPolarHBondContact O-CB 3.37Å; V323-T327 PolarHBondContact O-N 3.27Å; V323-T327 PolarHBondContact O-OG1 3.44Å
324D94.6Very high88.9Confident8 Ų840.8 Ų40.84%0.04321%0.21CC..Hα-helixtrans-56.8-50.4175.3-72.9-18.5000111R29 K189 S320 Y321 T327 A328 M337R29-D324 IonicContact CZ-OD1 3.81Å; R29-D324 VanDerWaalsContact CZ-OD1 3.27Å; R29-D324 IonicContact NH1-OD1 2.67Å; R29-D324 PolarHBondContact NH1-OD1 2.89Å; R29-D324 IonicContact NH2-OD1 2.81Å; R29-D324 PolarHBondContact NH2-OD1 2.84Å; K189-D324 WeakPolarHBondContact CE-OD2 3.48Å; K189-D324 IonicContact NZ-OD1 2.83Å; K189-D324 PolarHBondContact NZ-OD1 2.84Å; K189-D324 IonicContact NZ-OD2 3.42Å; K189-D324 PolarHBondContact NZ-OD2 2.84Å; S320-D324 PolarHBondContact O-N 3.27Å; Y321-D324 PolarHBondContact O-N 3.47Å; D324-T327 WeakPolarHBondContact O-CB 3.31Å; D324-T327 PolarHBondContact O-N 2.86Å; D324-A328 WeakPolarHBondContact O-CB 3.46Å; D324-A328 PolarHBondContact O-N 2.8Å; D324-M337 HydrophobicContact CB-CE 4Å; D324-M337 WeakPolarHBondContact O-CE 3.41Å
325L96.7Very high89.5Confident0 Ų037 Ų370%019%0.192CC..Hα-helixtrans-61.8-47.4178.8178.856000112.2L143 L166 I168 Y321 V323 T327 A328 I329 M337 L339 V362L143-L325 HydrophobicContact CD1-CD2 4.34Å; L143-L325 HydrophobicContact CD1-CG 4.22Å; L143-L325 HydrophobicContact CD2-CD2 3.81Å; L143-L325 HydrophobicContact CD2-CG 3.98Å; L143-L325 HydrophobicContact CG-CD2 4.45Å; L166-L325 HydrophobicContact CD1-CD1 3.93Å; L166-L325 HydrophobicContact CD1-CD2 4.32Å; L166-L325 HydrophobicContact CD1-CG 4.47Å; I168-L325 HydrophobicContact CD1-CD2 3.63Å; I168-L325 HydrophobicContact CG2-CD2 3.72Å; Y321-L325 WeakPolarHBondContact O-CB 3.45Å; Y321-L325 PolarHBondContact O-N 3Å; V323-L325 PolarHBondContact O-N 3.36Å; L325-T327 VanDerWaalsContact C-N 3.3Å; L325-T327 PolarHBondContact O-N 3.34Å; L325-A328 PolarHBondContact O-N 2.87Å; L325-I329 HydrophobicContact CD1-CD1 4.01Å; L325-I329 HydrophobicContact CD1-CG1 4.4Å; L325-I329 HydrophobicContact CG-CD1 4.21Å; L325-I329 WeakPolarHBondContact O-CG1 3.05Å; L325-I329 PolarHBondContact O-N 3.38Å; L325-M337 HydrophobicContact CB-SD 4.07Å; L325-M337 HydrophobicContact CD1-SD 4Å; L325-L339 HydrophobicContact CD1-CD1 4.28Å; L325-L339 HydrophobicContact CD1-CD2 4.29Å; L325-L339 HydrophobicContact CD2-CD2 4.18Å; L325-V362 HydrophobicContact CD1-CG1 3.69Å; L325-V362 HydrophobicContact CD1-CG2 4.35Å
326A97Very high90.3Very high0 Ų036.7 Ų36.70%018%0.184CC..Hα-helixtrans-60.1-41.6176.400000111.5F30 F80 M82 L143 I322 V323 I329 A330F30-A326 HydrophobicContact CD2-CB 4.23Å; F30-A326 HydrophobicContact CE1-CB 4.16Å; F30-A326 HydrophobicContact CE2-CB 3.76Å; F30-A326 HydrophobicContact CZ-CB 3.72Å; F80-A326 HydrophobicContact CD1-CB 4.29Å; F80-A326 HydrophobicContact CE1-CB 4.15Å; F80-A326 HydrophobicContact CZ-CB 4.36Å; F80-A326 WeakPolarHBondContact CZ-O 3.31Å; M82-A326 HydrophobicContact CE-CB 4.25Å; L143-A326 HydrophobicContact CD1-CB 3.81Å; I322-A326 VanDerWaalsContact O-CB 3.25Å; I322-A326 WeakPolarHBondContact O-CB 3.4Å; I322-A326 PolarHBondContact O-N 3.48Å; V323-A326 PolarHBondContact O-N 3.13Å; A326-I329 PolarHBondContact O-N 3.22Å; A326-A330 WeakPolarHBondContact O-CB 3.27Å; A326-A330 PolarHBondContact O-N 3.37Å
327T96.8Very high91.5Very high11 Ų1135.8 Ų35.87%0.06718%0.179CC..Hα-helixtrans-63.5-44176.7-58.20000111.1V323 D324 L325 I329 A330 F331 T333V323-T327 VanDerWaalsContact O-CB 3.22Å; V323-T327 WeakPolarHBondContact O-CB 3.37Å; V323-T327 PolarHBondContact O-N 3.27Å; V323-T327 PolarHBondContact O-OG1 3.44Å; D324-T327 WeakPolarHBondContact O-CB 3.31Å; D324-T327 PolarHBondContact O-N 2.86Å; L325-T327 VanDerWaalsContact C-N 3.3Å; L325-T327 PolarHBondContact O-N 3.34Å; T327-I329 PolarHBondContact O-N 3.43Å; T327-A330 PolarHBondContact O-N 3.33Å; T327-F331 HydrophobicContact CG2-CD2 3.77Å; T327-F331 HydrophobicContact CG2-CE2 4.34Å; T327-F331 WeakPolarHBondContact O-CD2 3.44Å; T327-F331 PolarHBondContact O-N 2.88Å; T327-T333 HydrophobicContact CG2-CG2 4.43Å
328A97.6Very high92.9Very high0 Ų029 Ų290%015%0.148CC..Hα-helixtrans-63.4-40.918000000112.5D324 L325 N332 T333 E335 M337 V362D324-A328 WeakPolarHBondContact O-CB 3.46Å; D324-A328 PolarHBondContact O-N 2.8Å; L325-A328 PolarHBondContact O-N 2.87Å; A328-N332 WeakPolarHBondContact O-CA 3.4Å; A328-N332 PolarHBondContact O-N 3.45Å; A328-T333 VanDerWaalsContact CA-OG1 3.25Å; A328-T333 WeakPolarHBondContact CA-OG1 3.43Å; A328-T333 VanDerWaalsContact CB-OG1 3.29Å; A328-T333 WeakPolarHBondContact CB-OG1 3.29Å; A328-T333 PolarHBondContact O-N 2.67Å; A328-E335 HydrophobicContact CB-CB 4.41Å; A328-M337 HydrophobicContact CB-CE 3.58Å; A328-V362 HydrophobicContact CB-CB 3.85Å; A328-V362 HydrophobicContact CB-CG1 3.62Å
329I97.7Very high94.5Very high7 Ų725.4 Ų25.44%0.03613%0.132CC..Hα-helixtrans-68.1-48.3173.4-65.1166.5000110.8F80 W141 L143 L166 L325 A326 T327 F331 V362 H364F80-I329 HydrophobicContact CE1-CB 4.08Å; F80-I329 HydrophobicContact CE1-CD1 4.31Å; F80-I329 HydrophobicContact CE1-CG2 3.93Å; F80-I329 HydrophobicContact CZ-CB 4.26Å; F80-I329 HydrophobicContact CZ-CG2 4.07Å; W141-I329 HydrophobicContact CD2-CD1 4.29Å; W141-I329 HydrophobicContact CD2-CG2 4.34Å; W141-I329 HydrophobicContact CE3-CD1 4.47Å; W141-I329 HydrophobicContact CG-CD1 4.37Å; W141-I329 HydrophobicContact CG-CG2 4.06Å; L143-I329 HydrophobicContact CD2-CD1 3.9Å; L166-I329 HydrophobicContact CD1-CD1 3.79Å; L325-I329 HydrophobicContact CD1-CD1 4.01Å; L325-I329 HydrophobicContact CD1-CG1 4.4Å; L325-I329 HydrophobicContact CG-CD1 4.21Å; L325-I329 WeakPolarHBondContact O-CG1 3.05Å; L325-I329 PolarHBondContact O-N 3.38Å; A326-I329 PolarHBondContact O-N 3.22Å; T327-I329 PolarHBondContact O-N 3.43Å; I329-F331 VanDerWaalsContact C-N 3.34Å; I329-F331 PolarHBondContact O-N 2.92Å; I329-V362 HydrophobicContact CG1-CG1 3.86Å; I329-H364 VanDerWaalsContact O-CA 3.3Å; I329-H364 WeakPolarHBondContact O-CA 3.29Å
330A97.2Very high95.7Very high30 Ų3025.6 Ų25.625%0.24813%0.132CC..Hα-helixtrans-61.6-38.4-175.700000113.7F4 F30 F80 A326 T327F4-A330 HydrophobicContact CE1-CB 3.8Å; F4-A330 HydrophobicContact CE2-CB 3.93Å; F4-A330 HydrophobicContact CZ-CB 3.4Å; F4-A330 VanDerWaalsContact CZ-CB 3.4Å; F30-A330 HydrophobicContact CD2-CB 4.45Å; F30-A330 HydrophobicContact CE2-CB 4.12Å; F80-A330 HydrophobicContact CE2-CB 4.34Å; F80-A330 HydrophobicContact CZ-CB 4.1Å; A326-A330 WeakPolarHBondContact O-CB 3.27Å; A326-A330 PolarHBondContact O-N 3.37Å; T327-A330 PolarHBondContact O-N 3.33Å
331F97.1Very high96.5Very high73 Ų7324 Ų2432%0.3212%0.121SC..Hα-helixtrans-119.27.3-171.5-58.7-69000113.9M1 F4 R29 T327 I329 T333M1-F331 HydrophobicContact CG-CE1 3.73Å; M1-F331 HydrophobicContact CG-CZ 3.74Å; M1-F331 HydrophobicContact SD-CE1 4.05Å; M1-F331 HydrophobicContact SD-CE2 4.41Å; M1-F331 HydrophobicContact SD-CZ 3.61Å; F4-F331 HydrophobicContact CE2-CE1 4.29Å; F4-F331 AromaticContact CE2-CE2 3.92Å; F4-F331 HydrophobicContact CE2-CE2 3.92Å; F4-F331 AromaticContact CE2-CZ 3.55Å; F4-F331 HydrophobicContact CE2-CZ 3.55Å; F4-F331 HydrophobicContact CZ-CE1 4.24Å; F4-F331 HydrophobicContact CZ-CE2 4.33Å; F4-F331 AromaticContact CZ-CZ 3.92Å; F4-F331 HydrophobicContact CZ-CZ 3.92Å; R29-F331 WeakPolarHBondContact O-CE2 3.23Å; T327-F331 HydrophobicContact CG2-CD2 3.77Å; T327-F331 HydrophobicContact CG2-CE2 4.34Å; T327-F331 WeakPolarHBondContact O-CD2 3.44Å; T327-F331 PolarHBondContact O-N 2.88Å; I329-F331 VanDerWaalsContact C-N 3.34Å; I329-F331 PolarHBondContact O-N 2.92Å; F331-T333 VanDerWaalsContact C-N 3.34Å; F331-T333 HydrophobicContact CB-CG2 4.13Å; F331-T333 PolarHBondContact O-N 3.42Å
332N97.2Very high96.9Very high66 Ų6625.8 Ų25.835%0.35313%0.134SC..THydrogen-bonded Turntrans5347.7179.2-167.756.4000113A328 Q334 G363 H364A328-N332 WeakPolarHBondContact O-CA 3.4Å; A328-N332 PolarHBondContact O-N 3.45Å; N332-Q334 PolarHBondContact O-N 3.24Å; N332-Q334 PolarHBondContact OD1-NE2 2.92Å; N332-G363 WeakPolarHBondContact OD1-CA 3.36Å; N332-H364 HydrophobicContact CB-CB 4.27Å; N332-H364 VanDerWaalsContact CG-CD2 3.48Å; N332-H364 PolarHBondContact OD1-CD2 2.76Å; N332-H364 VanDerWaalsContact OD1-CD2 3.32Å; N332-H364 PolarHBondContact OD1-N 3.08Å; N332-H364 VanDerWaalsContact OD1-N 3.07Å
333T96.8Very high97.2Very high66 Ų6625.8 Ų25.841%0.40513%0.134SC..  trans-72.5-16.2-173.4670000113.3T327 A328 F331 E335T327-T333 HydrophobicContact CG2-CG2 4.43Å; A328-T333 VanDerWaalsContact CA-OG1 3.25Å; A328-T333 WeakPolarHBondContact CA-OG1 3.43Å; A328-T333 VanDerWaalsContact CB-OG1 3.29Å; A328-T333 WeakPolarHBondContact CB-OG1 3.29Å; A328-T333 PolarHBondContact O-N 2.67Å; F331-T333 VanDerWaalsContact C-N 3.34Å; F331-T333 HydrophobicContact CB-CG2 4.13Å; F331-T333 PolarHBondContact O-N 3.42Å; T333-E335 PolarHBondContact O-N 3.47Å; T333-E335 WeakPolarHBondContact OG1-CB 3.37Å; T333-E335 PolarHBondContact OG1-N 2.99Å
334Q97.1Very high97.4Very high63 Ų6332 Ų3229%0.29417%0.167SC..  trans58.629.6-177.2-64.1-72.3-27.600112N332 V362 E368N332-Q334 PolarHBondContact O-N 3.24Å; N332-Q334 PolarHBondContact OD1-NE2 2.92Å; Q334-V362 WeakPolarHBondContact CA-O 3.43Å; Q334-V362 PolarHBondContact N-O 3.48Å; Q334-E368 PolarHBondContact NE2-OE2 3.25Å; Q334-E368 PolarHBondContact OE1-OE2 2.95Å
335E96.5Very high97.5Very high48 Ų4833.3 Ų33.322%0.22418%0.182CC..EExtended strand (participates in β ladder)trans-66.4139.7178.3179.5168.8-173.500110.4K189 A328 T333 M337 V362K189-E335 IonicContact NZ-OE1 2.7Å; K189-E335 PolarHBondContact NZ-OE1 3.24Å; A328-E335 HydrophobicContact CB-CB 4.41Å; T333-E335 PolarHBondContact O-N 3.47Å; T333-E335 WeakPolarHBondContact OG1-CB 3.37Å; T333-E335 PolarHBondContact OG1-N 2.99Å; E335-M337 HydrophobicContact CB-CE 3.77Å; E335-M337 HydrophobicContact CG-CE 3.65Å; E335-M337 HydrophobicContact CG-CG 4.31Å; E335-V362 PolarHBondContact O-N 2.87Å
336R97.6Very high97.6Very high89 Ų8933.7 Ų33.734%0.33619%0.186SC..EExtended strand (participates in β ladder)trans-81.6120.9179.6-179.9-177.6-70.8-147.4-0.2110V193 P359 C360 L361 L370V193-R336 PolarHBondContact O-NH1 3.15Å; R336-P359 HydrophobicContact CG-CB 4.26Å; R336-C360 CarbonylContact C-O 3.57Å; R336-C360 VanDerWaalsContact CA-O 3.3Å; R336-C360 WeakPolarHBondContact CA-O 3.48Å; R336-L361 HydrophobicContact CB-CD2 4.27Å; R336-L370 VanDerWaalsContact CZ-CD1 3.49Å
337M97.7Very high97.7Very high7 Ų733.7 Ų33.73%0.03419%0.186CC..EExtended strand (participates in β ladder)trans-135.6152.4-178-58.2-171.9-169.100111.7Y321 D324 L325 A328 E335 L339 P359 C360 V362Y321-M337 HydrophobicContact CD2-SD 4.46Å; Y321-M337 HydrophobicContact CE2-CB 4.03Å; Y321-M337 HydrophobicContact CE2-CG 4.05Å; Y321-M337 HydrophobicContact CE2-SD 3.68Å; D324-M337 HydrophobicContact CB-CE 4Å; D324-M337 WeakPolarHBondContact O-CE 3.41Å; L325-M337 HydrophobicContact CB-SD 4.07Å; L325-M337 HydrophobicContact CD1-SD 4Å; A328-M337 HydrophobicContact CB-CE 3.58Å; E335-M337 HydrophobicContact CB-CE 3.77Å; E335-M337 HydrophobicContact CG-CE 3.65Å; E335-M337 HydrophobicContact CG-CG 4.31Å; M337-L339 HydrophobicContact CB-CG 4.2Å; M337-P359 CarbonylContact O-C 3.58Å; M337-P359 WeakPolarHBondContact O-CA 3.06Å; M337-C360 PolarHBondContact N-O 3.44Å; M337-C360 PolarHBondContact O-N 3.05Å; M337-V362 HydrophobicContact CB-CG2 3.99Å; M337-V362 HydrophobicContact CG-CG2 4.01Å; M337-V362 HydrophobicContact SD-CG2 4Å
338L98.1Very high97.8Very high14 Ų1438.7 Ų38.77%0.07321%0.208CC..EExtended strand (participates in β ladder)trans-86.7111.6172-60.1-174.6000109P172 V193 Y195 Y321 P359P172-L338 HydrophobicContact CB-CD1 3.61Å; P172-L338 HydrophobicContact CG-CD1 4.3Å; V193-L338 HydrophobicContact CG2-CD2 4.46Å; Y195-L338 HydrophobicContact CD1-CD1 3.99Å; Y195-L338 HydrophobicContact CD1-CD2 4.28Å; Y195-L338 HydrophobicContact CD2-CD1 4.25Å; Y195-L338 HydrophobicContact CG-CD1 3.8Å; Y195-L338 HydrophobicContact CG-CD2 4.25Å; Y321-L338 PolarHBondContact OH-O 2.91Å; L338-P359 HydrophobicContact CD2-CB 4.1Å; L338-P359 HydrophobicContact CD2-CG 3.6Å
339L98.3Very high97.8Very high1 Ų140.4 Ų40.41%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-126.4151.4-176.1-64.7176.4000111.1I168 Y321 L325 M337 V341 E357 I358 C360 V362 P367I168-L339 HydrophobicContact CG2-CD2 3.37Å; Y321-L339 WeakPolarHBondContact OH-CD2 3.33Å; L325-L339 HydrophobicContact CD1-CD1 4.28Å; L325-L339 HydrophobicContact CD1-CD2 4.29Å; L325-L339 HydrophobicContact CD2-CD2 4.18Å; M337-L339 HydrophobicContact CB-CG 4.2Å; L339-V341 HydrophobicContact CB-CG1 4.19Å; L339-E357 WeakPolarHBondContact O-CA 3.33Å; L339-I358 PolarHBondContact N-O 3.38Å; L339-I358 VanDerWaalsContact N-O 3.1Å; L339-I358 PolarHBondContact O-N 3.02Å; L339-I358 VanDerWaalsContact O-N 3.14Å; L339-C360 HydrophobicContact CD1-CB 4.21Å; L339-V362 HydrophobicContact CD1-CG2 3.49Å; L339-V362 VanDerWaalsContact CD1-CG2 3.49Å; L339-P367 HydrophobicContact CD1-CB 3.76Å; L339-P367 HydrophobicContact CD1-CG 4.48Å
340I98.8Very high97.8Very high5 Ų541 Ų413%0.02622%0.219CC..EExtended strand (participates in β ladder)trans-86.4110.9175.1-53165.3000108.1A149 A153 N167 N199 M355 V356 E357A149-I340 HydrophobicContact CB-CD1 3.55Å; A153-I340 HydrophobicContact CB-CG2 3.68Å; N167-I340 HydrophobicContact CB-CB 4.39Å; N167-I340 HydrophobicContact CB-CD1 4.12Å; N167-I340 WeakPolarHBondContact O-CB 3.49Å; N199-I340 HydrophobicContact CB-CD1 3.58Å; N199-I340 HydrophobicContact CB-CG1 4.11Å; I340-M355 HydrophobicContact CG2-CB 3.94Å; I340-M355 HydrophobicContact CG2-CE 4.21Å; I340-V356 CarbonylContact C-O 3.5Å; I340-V356 VanDerWaalsContact CA-O 3.3Å; I340-V356 WeakPolarHBondContact CA-O 3.33Å; I340-E357 HydrophobicContact CG1-CB 4.32Å; I340-E357 HydrophobicContact CG1-CG 4.29Å
341V98.5Very high97.9Very high4 Ų443.6 Ų43.62%0.02423%0.229CC..EExtended strand (participates in β ladder)trans-136.1157.3-173.3-65.70000111.1L339 N343 M355 V356 I358 P367 P369L339-V341 HydrophobicContact CB-CG1 4.19Å; V341-N343 PolarHBondContact O-N 3.47Å; V341-M355 WeakPolarHBondContact O-CA 3.33Å; V341-V356 HydrophobicContact CG2-CG2 4.48Å; V341-V356 PolarHBondContact N-O 3.3Å; V341-V356 PolarHBondContact O-N 2.78Å; V341-I358 HydrophobicContact CG2-CD1 3.84Å; V341-I358 HydrophobicContact CG2-CG1 3.69Å; V341-P367 HydrophobicContact CG1-CB 4.03Å; V341-P367 HydrophobicContact CG1-CG 3.73Å; V341-P369 HydrophobicContact CB-CG 4.23Å; V341-P369 HydrophobicContact CG1-CG 4.48Å; V341-P369 HydrophobicContact CG2-CB 4.09Å; V341-P369 HydrophobicContact CG2-CG 3.85Å
342P98.2Very high97.9Very high47 Ų4742.5 Ų42.531%0.30523%0.234SC..EExtended strand (participates in β ladder)trans-59.4134.1169.9-20.432.4000110.5R157 N344 A354 M355R157-P342 HydrophobicContact CG-CG 4.34Å; P342-N344 PolarHBondContact O-N 2.84Å; P342-A354 CarbonylContact C-O 3.53Å; P342-M355 HydrophobicContact CB-SD 4.19Å; P342-M355 HydrophobicContact CG-CE 4.33Å; P342-M355 HydrophobicContact CG-SD 3.73Å
343N98.6Very high97.8Very high3 Ų341.9 Ų41.92%0.01623%0.23CC..  trans-57.8-51.8-175.1179.431000112V341 G345 A346 I347 F350 D351 A354 V356V341-N343 PolarHBondContact O-N 3.47Å; N343-G345 PolarHBondContact O-N 3.37Å; N343-A346 VanDerWaalsContact O-CB 3.3Å; N343-A346 WeakPolarHBondContact O-CB 3.29Å; N343-A346 PolarHBondContact O-N 3.08Å; N343-A346 PolarHBondContact OD1-N 3.34Å; N343-I347 PolarHBondContact ND2-O 2.92Å; N343-I347 VanDerWaalsContact ND2-O 3.08Å; N343-I347 WeakPolarHBondContact OD1-CB 3.34Å; N343-I347 PolarHBondContact OD1-N 3.3Å; N343-F350 PolarHBondContact ND2-O 3.48Å; N343-D351 VanDerWaalsContact CB-O 3.3Å; N343-D351 WeakPolarHBondContact CB-O 3.3Å; N343-D351 PolarHBondContact ND2-O 3.36Å; N343-A354 WeakPolarHBondContact CB-O 3.38Å; N343-A354 PolarHBondContact N-O 2.76Å; N343-V356 HydrophobicContact CB-CG1 3.97Å; N343-V356 HydrophobicContact CB-CG2 3.92Å
344N97.2Very high97.9Very high131 Ų13138.8 Ų38.870%0.70121%0.211SC*.THydrogen-bonded Turntrans44.535.9177-74.1-16000114.4P342 A352P342-N344 PolarHBondContact O-N 2.84Å; N344-A352 PolarHBondContact N-O 3.23Å; N344-A352 PolarHBondContact OD1-O 3.39Å
345G97.6Very high98Very high35 Ų3536.5 Ų36.536%0.36120%0.201SC..THydrogen-bonded Turntrans84.98.8-179.800000115.7N343 I347 H348N343-G345 PolarHBondContact O-N 3.37Å; G345-I347 VanDerWaalsContact C-N 3.32Å; G345-H348 PolarHBondContact O-CD2 3.04Å
346A98.4Very high98.1Very high8 Ų834.2 Ų34.27%0.06619%0.19CC..SBendtrans-62.3-41.8171.100000111.5N343 I358 V372 G373N343-A346 VanDerWaalsContact O-CB 3.3Å; N343-A346 WeakPolarHBondContact O-CB 3.29Å; N343-A346 PolarHBondContact O-N 3.08Å; N343-A346 PolarHBondContact OD1-N 3.34Å; A346-I358 HydrophobicContact CB-CD1 3.41Å; A346-I358 VanDerWaalsContact CB-CD1 3.41Å; A346-V372 WeakPolarHBondContact O-CA 3.19Å; A346-V372 WeakPolarHBondContact O-CB 3.3Å; A346-V372 PolarHBondContact O-N 3.24Å; A346-G373 PolarHBondContact O-N 3.07Å; A346-G373 VanDerWaalsContact O-N 3.14Å
347I98.7Very high98.2Very high0 Ų030 Ų300%017%0.174CC..BIsolated β-bridgetrans-100.9105.1165.2-51.4178000107.5N343 G345 N349 F350 V356 I358 V372 G373 I375 M383N343-I347 PolarHBondContact ND2-O 2.92Å; N343-I347 VanDerWaalsContact ND2-O 3.08Å; N343-I347 WeakPolarHBondContact OD1-CB 3.34Å; N343-I347 PolarHBondContact OD1-N 3.3Å; G345-I347 VanDerWaalsContact C-N 3.32Å; I347-N349 PolarHBondContact O-N 3.4Å; I347-F350 HydrophobicContact CB-CB 3.93Å; I347-F350 HydrophobicContact CG2-CB 3.56Å; I347-F350 PolarHBondContact O-N 2.89Å; I347-V356 HydrophobicContact CD1-CB 4.25Å; I347-V356 HydrophobicContact CD1-CG1 4.02Å; I347-I358 HydrophobicContact CD1-CG2 4.38Å; I347-V372 HydrophobicContact CG1-CB 3.95Å; I347-V372 HydrophobicContact CG1-CG1 4.27Å; I347-V372 HydrophobicContact CG1-CG2 4.03Å; I347-G373 WeakPolarHBondContact CA-O 3.23Å; I347-I375 HydrophobicContact CG2-CB 4.37Å; I347-I375 HydrophobicContact CG2-CD1 4.04Å; I347-I375 HydrophobicContact CG2-CG1 3.79Å; I347-I375 HydrophobicContact CG2-CG2 3.77Å; I347-M383 HydrophobicContact CD1-CE 3.94Å
348H98.3Very high98.2Very high116 Ų11629.7 Ų29.754%0.53717%0.173SC..THydrogen-bonded Turntrans-63-40.9-167.6-63.3158.1000113.4G345 G373 D374G345-H348 PolarHBondContact O-CD2 3.04Å; H348-G373 PolarHBondContact N-O 3.28Å; H348-D374 WeakPolarHBondContact CB-OD1 3.08Å
349N98.4Very high98.3Very high36 Ų3629.3 Ų29.319%0.19317%0.171CC..THydrogen-bonded Turntrans-96.624.3-175.367.5-14.9000113.4I347 D374 I375 K380I347-N349 PolarHBondContact O-N 3.4Å; N349-D374 VanDerWaalsContact CB-OD1 3.32Å; N349-D374 WeakPolarHBondContact CB-OD1 3.34Å; N349-I375 PolarHBondContact ND2-O 3Å; N349-I375 WeakPolarHBondContact OD1-CG1 3.5Å; N349-I375 PolarHBondContact OD1-N 3.49Å; N349-K380 WeakPolarHBondContact O-CD 3.45Å; N349-K380 WeakPolarHBondContact O-CE 3.46Å; N349-K380 PolarHBondContact O-NZ 3.39Å
350F98.6Very high98.3Very high19 Ų1929.2 Ų29.28%0.08317%0.171CC..SBendtrans-127.1164.2179.9-160.7-113.9000111.7L198 N343 I347 A352 A354 V356 M383 S384 V387L198-F350 HydrophobicContact CD2-CE1 4.13Å; L198-F350 HydrophobicContact CD2-CZ 4.36Å; N343-F350 PolarHBondContact ND2-O 3.48Å; I347-F350 HydrophobicContact CB-CB 3.93Å; I347-F350 HydrophobicContact CG2-CB 3.56Å; I347-F350 PolarHBondContact O-N 2.89Å; F350-A352 PolarHBondContact O-N 3.39Å; F350-A354 HydrophobicContact CD1-CB 4.01Å; F350-A354 HydrophobicContact CE1-CB 3.61Å; F350-V356 HydrophobicContact CD1-CG1 4.01Å; F350-V356 HydrophobicContact CE1-CG1 4.05Å; F350-M383 HydrophobicContact CD1-CE 4.32Å; F350-M383 HydrophobicContact CE1-CE 4.03Å; F350-M383 HydrophobicContact CE2-CB 3.57Å; F350-M383 HydrophobicContact CE2-CE 4.4Å; F350-M383 HydrophobicContact CZ-CB 3.61Å; F350-M383 HydrophobicContact CZ-CE 4.09Å; F350-S384 WeakPolarHBondContact CE2-OG 3.29Å; F350-V387 HydrophobicContact CE1-CG1 4.37Å; F350-V387 HydrophobicContact CZ-CB 4.21Å; F350-V387 HydrophobicContact CZ-CG1 3.73Å
351D97.5Very high98.3Very high84 Ų8431.6 Ų31.645%0.44918%0.183SC..  trans-60.4131-173.7-160-5.9000111.5N343 D353 A354N343-D351 VanDerWaalsContact CB-O 3.3Å; N343-D351 WeakPolarHBondContact CB-O 3.3Å; N343-D351 PolarHBondContact ND2-O 3.36Å; D351-D353 VanDerWaalsContact C-N 3.28Å; D351-D353 VanDerWaalsContact CG-OD1 3.3Å; D351-D353 PolarHBondContact O-N 2.93Å; D351-A354 HydrophobicContact CB-CB 4.14Å; D351-A354 WeakPolarHBondContact O-CB 3.43Å; D351-A354 PolarHBondContact O-N 2.96Å
352A97Very high98.3Very high51 Ų5131.4 Ų31.442%0.42118%0.182SC..THydrogen-bonded Turntrans-70-29.5-170.900000112N344 F350N344-A352 PolarHBondContact N-O 3.23Å; N344-A352 PolarHBondContact OD1-O 3.39Å; F350-A352 PolarHBondContact O-N 3.39Å
353D96.9Very high98.2Very high53 Ų5329.1 Ų29.128%0.28317%0.167SC..THydrogen-bonded Turntrans-96.87-178.386.9-28.4000113R157 D351 K391R157-D353 WeakPolarHBondContact CD-O 3.37Å; R157-D353 IonicContact CZ-OD2 3.43Å; R157-D353 PolarHBondContact NE-O 3.43Å; R157-D353 IonicContact NH1-OD2 3.08Å; R157-D353 PolarHBondContact NH2-O 2.71Å; R157-D353 IonicContact NH2-OD2 2.77Å; R157-D353 PolarHBondContact NH2-OD2 2.99Å; D351-D353 VanDerWaalsContact C-N 3.28Å; D351-D353 VanDerWaalsContact CG-OD1 3.3Å; D351-D353 PolarHBondContact O-N 2.93Å; D353-K391 PolarHBondContact O-NZ 2.94Å; D353-K391 WeakPolarHBondContact OD1-CE 3.09Å; D353-K391 IonicContact OD1-NZ 3.55Å; D353-K391 PolarHBondContact OD1-NZ 3.28Å; D353-K391 IonicContact OD2-NZ 3.51Å; D353-K391 PolarHBondContact OD2-NZ 2.93Å
354A98.6Very high98.1Very high0 Ų033.9 Ų33.90%019%0.189CC..  trans-71.6139174.800000111P342 N343 F350 D351 V356 V387P342-A354 CarbonylContact C-O 3.53Å; N343-A354 WeakPolarHBondContact CB-O 3.38Å; N343-A354 PolarHBondContact N-O 2.76Å; F350-A354 HydrophobicContact CD1-CB 4.01Å; F350-A354 HydrophobicContact CE1-CB 3.61Å; D351-A354 HydrophobicContact CB-CB 4.14Å; D351-A354 WeakPolarHBondContact O-CB 3.43Å; D351-A354 PolarHBondContact O-N 2.96Å; A354-V356 HydrophobicContact CB-CG1 4.26Å; A354-V356 PolarHBondContact O-N 3.16Å; A354-V387 HydrophobicContact CB-CG2 3.85Å
355M98.8Very high98Very high15 Ų1533.8 Ų33.87%0.07419%0.188CC..EExtended strand (participates in β ladder)trans-77.1118.7165.3-64.6-57.7-78.600109.2A153 R157 L198 I340 V341 P342A153-M355 HydrophobicContact CB-CB 4.12Å; A153-M355 HydrophobicContact CB-CE 3.8Å; A153-M355 HydrophobicContact CB-CG 3.94Å; R157-M355 HydrophobicContact CB-CG 4.32Å; R157-M355 HydrophobicContact CB-SD 3.85Å; R157-M355 VanDerWaalsContact CD-SD 3.57Å; R157-M355 HydrophobicContact CG-SD 3.91Å; L198-M355 WeakPolarHBondContact CD2-O 3.43Å; I340-M355 HydrophobicContact CG2-CB 3.94Å; I340-M355 HydrophobicContact CG2-CE 4.21Å; V341-M355 WeakPolarHBondContact O-CA 3.33Å; P342-M355 HydrophobicContact CB-SD 4.19Å; P342-M355 HydrophobicContact CG-CE 4.33Å; P342-M355 HydrophobicContact CG-SD 3.73Å
356V98.9Very high98Very high0 Ų032.1 Ų32.10%017%0.172CC..EExtended strand (participates in β ladder)trans-120.9149-176.8-64.30000110.3G197 L198 I340 V341 N343 I347 F350 A354 I358G197-V356 CarbonylContact O-C 3.51Å; G197-V356 WeakPolarHBondContact O-CA 3.16Å; G197-V356 WeakPolarHBondContact O-CB 3.45Å; L198-V356 HydrophobicContact CD2-CG1 4.26Å; I340-V356 CarbonylContact C-O 3.5Å; I340-V356 VanDerWaalsContact CA-O 3.3Å; I340-V356 WeakPolarHBondContact CA-O 3.33Å; V341-V356 HydrophobicContact CG2-CG2 4.48Å; V341-V356 PolarHBondContact N-O 3.3Å; V341-V356 PolarHBondContact O-N 2.78Å; N343-V356 HydrophobicContact CB-CG1 3.97Å; N343-V356 HydrophobicContact CB-CG2 3.92Å; I347-V356 HydrophobicContact CD1-CB 4.25Å; I347-V356 HydrophobicContact CD1-CG1 4.02Å; F350-V356 HydrophobicContact CD1-CG1 4.01Å; F350-V356 HydrophobicContact CE1-CG1 4.05Å; A354-V356 HydrophobicContact CB-CG1 4.26Å; A354-V356 PolarHBondContact O-N 3.16Å; V356-I358 HydrophobicContact CB-CG2 4.39Å; V356-I358 HydrophobicContact CG2-CD1 3.93Å; V356-I358 HydrophobicContact CG2-CG1 4.14Å; V356-I358 HydrophobicContact CG2-CG2 4.11Å
357E98.9Very high98Very high1 Ų133.4 Ų33.41%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-99.6109.5175.3-168.8172.190.600109P172 Y195 G197 N199 L339 I340P172-E357 VanDerWaalsContact CG-OE1 3.26Å; P172-E357 WeakPolarHBondContact CG-OE1 3.4Å; Y195-E357 VanDerWaalsContact CD1-O 3.26Å; Y195-E357 WeakPolarHBondContact CD1-O 3.34Å; Y195-E357 HydrophobicContact CE1-CB 4.09Å; Y195-E357 HydrophobicContact CE1-CG 3.98Å; Y195-E357 WeakPolarHBondContact CE1-O 3.42Å; Y195-E357 PolarHBondContact OH-OE1 2.98Å; G197-E357 PolarHBondContact N-O 3.29Å; G197-E357 PolarHBondContact O-N 3.36Å; N199-E357 PolarHBondContact ND2-OE2 3.13Å; L339-E357 WeakPolarHBondContact O-CA 3.33Å; I340-E357 HydrophobicContact CG1-CB 4.32Å; I340-E357 HydrophobicContact CG1-CG 4.29Å
358I98.7Very high97.9Very high0 Ų038.3 Ų38.30%020%0.202CC..EExtended strand (participates in β ladder)trans-144.8159.9-172.355.9174.6000111.7L339 V341 A346 I347 V356 C360 P369 V372L339-I358 PolarHBondContact N-O 3.38Å; L339-I358 VanDerWaalsContact N-O 3.1Å; L339-I358 PolarHBondContact O-N 3.02Å; L339-I358 VanDerWaalsContact O-N 3.14Å; V341-I358 HydrophobicContact CG2-CD1 3.84Å; V341-I358 HydrophobicContact CG2-CG1 3.69Å; A346-I358 HydrophobicContact CB-CD1 3.41Å; A346-I358 VanDerWaalsContact CB-CD1 3.41Å; I347-I358 HydrophobicContact CD1-CG2 4.38Å; V356-I358 HydrophobicContact CB-CG2 4.39Å; V356-I358 HydrophobicContact CG2-CD1 3.93Å; V356-I358 HydrophobicContact CG2-CG1 4.14Å; V356-I358 HydrophobicContact CG2-CG2 4.11Å; I358-C360 PolarHBondContact O-N 3.46Å; I358-C360 PolarHBondContact O-SG 3.28Å; I358-P369 HydrophobicContact CD1-CB 3.76Å; I358-V372 HydrophobicContact CB-CG2 4.28Å; I358-V372 HydrophobicContact CG2-CG2 3.68Å
359P98.5Very high97.9Very high6 Ų635.6 Ų35.64%0.03920%0.195CC..EExtended strand (participates in β ladder)trans-59.3128170.9-22.231000112.1Y195 R336 M337 L338 L370Y195-P359 WeakPolarHBondContact O-CD 3.47Å; R336-P359 HydrophobicContact CG-CB 4.26Å; M337-P359 CarbonylContact O-C 3.58Å; M337-P359 WeakPolarHBondContact O-CA 3.06Å; L338-P359 HydrophobicContact CD2-CB 4.1Å; L338-P359 HydrophobicContact CD2-CG 3.6Å; P359-L370 HydrophobicContact CB-CD1 4.12Å; P359-L370 VanDerWaalsContact O-CB 3.3Å; P359-L370 WeakPolarHBondContact O-CB 3.21Å; P359-L370 PolarHBondContact O-N 3.05Å
360C98.7Very high97.9Very high0 Ų036 Ų360%020%0.197CC..EExtended strand (participates in β ladder)trans-125.9149.3174-57.60000109.1R336 M337 L339 I358 P367 E368R336-C360 CarbonylContact C-O 3.57Å; R336-C360 VanDerWaalsContact CA-O 3.3Å; R336-C360 WeakPolarHBondContact CA-O 3.48Å; M337-C360 PolarHBondContact N-O 3.44Å; M337-C360 PolarHBondContact O-N 3.05Å; L339-C360 HydrophobicContact CD1-CB 4.21Å; I358-C360 PolarHBondContact O-N 3.46Å; I358-C360 PolarHBondContact O-SG 3.28Å; C360-P367 HydrophobicContact CB-CB 3.82Å; C360-E368 CarbonylContact C-O 3.59Å; C360-E368 VanDerWaalsContact CA-O 3.32Å; C360-E368 WeakPolarHBondContact CA-O 3.25Å
361L98.4Very high97.9Very high54 Ų5439.1 Ų39.128%0.28322%0.218SC..EExtended strand (participates in β ladder)trans-85.4134.9160-57.3177000108.1R336 P367 E368 L370R336-L361 HydrophobicContact CB-CD2 4.27Å; L361-P367 CarbonylContact O-C 3.59Å; L361-P367 WeakPolarHBondContact O-CA 3.34Å; L361-E368 HydrophobicContact CB-CB 4.4Å; L361-E368 PolarHBondContact N-O 3.24Å; L361-E368 PolarHBondContact O-N 3.04Å; L361-L370 HydrophobicContact CD1-CD2 4.32Å; L361-L370 HydrophobicContact CG-CD2 4.12Å
362V98.4Very high98Very high0 Ų036.2 Ų36.20%020%0.203CC..EExtended strand (participates in β ladder)trans-112.1120.5-173.8-177.50000110.9L325 A328 I329 Q334 E335 M337 L339L325-V362 HydrophobicContact CD1-CG1 3.69Å; L325-V362 HydrophobicContact CD1-CG2 4.35Å; A328-V362 HydrophobicContact CB-CB 3.85Å; A328-V362 HydrophobicContact CB-CG1 3.62Å; I329-V362 HydrophobicContact CG1-CG1 3.86Å; Q334-V362 WeakPolarHBondContact CA-O 3.43Å; Q334-V362 PolarHBondContact N-O 3.48Å; E335-V362 PolarHBondContact O-N 2.87Å; M337-V362 HydrophobicContact CB-CG2 3.99Å; M337-V362 HydrophobicContact CG-CG2 4.01Å; M337-V362 HydrophobicContact SD-CG2 4Å; L339-V362 HydrophobicContact CD1-CG2 3.49Å; L339-V362 VanDerWaalsContact CD1-CG2 3.49Å
363G97.8Very high98Very high0 Ų034.4 Ų34.40%019%0.189CC..EExtended strand (participates in β ladder)trans-131.9-170.8178.600000113.7N332 N365 G366N332-G363 WeakPolarHBondContact OD1-CA 3.36Å; G363-N365 PolarHBondContact O-N 2.61Å; G363-N365 VanDerWaalsContact O-N 3.17Å; G363-G366 PolarHBondContact N-O 3.39Å; G363-G366 VanDerWaalsContact N-O 3.1Å; G363-G366 PolarHBondContact O-N 3.12Å
364H95.2Very high98.1Very high103 Ų10337.4 Ų37.448%0.47721%0.205SC..THydrogen-bonded Turntrans-65.2-19.6-177.970.778.7000114I329 N332I329-H364 VanDerWaalsContact O-CA 3.3Å; I329-H364 WeakPolarHBondContact O-CA 3.29Å; N332-H364 HydrophobicContact CB-CB 4.27Å; N332-H364 VanDerWaalsContact CG-CD2 3.48Å; N332-H364 PolarHBondContact OD1-CD2 2.76Å; N332-H364 VanDerWaalsContact OD1-CD2 3.32Å; N332-H364 PolarHBondContact OD1-N 3.08Å; N332-H364 VanDerWaalsContact OD1-N 3.07Å
365N96.1Very high98.1Very high128 Ų12837.6 Ų37.668%0.68421%0.206SC*.THydrogen-bonded Turntrans-90.11.2175.4-69.1-30.9000113.1G363G363-N365 PolarHBondContact O-N 2.61Å; G363-N365 VanDerWaalsContact O-N 3.17Å
366G96.8Very high98.1Very high1 Ų140.2 Ų40.21%0.0122%0.224CC..EExtended strand (participates in β ladder)trans99-158.9-173.300000112.7G363G363-G366 PolarHBondContact N-O 3.39Å; G363-G366 VanDerWaalsContact N-O 3.1Å; G363-G366 PolarHBondContact O-N 3.12Å
367P98Very high98.1Very high35 Ų3548.1 Ų48.123%0.22726%0.261CS..EExtended strand (participates in β ladder)trans-79.3140.3-177.331.1-35.2000112.8L166 L339 V341 C360 L361L166-P367 HydrophobicContact CD2-CG 3.76Å; L339-P367 HydrophobicContact CD1-CB 3.76Å; L339-P367 HydrophobicContact CD1-CG 4.48Å; V341-P367 HydrophobicContact CG1-CB 4.03Å; V341-P367 HydrophobicContact CG1-CG 3.73Å; C360-P367 HydrophobicContact CB-CB 3.82Å; L361-P367 CarbonylContact O-C 3.59Å; L361-P367 WeakPolarHBondContact O-CA 3.34Å
368E98.4Very high98Very high102 Ų10252.2 Ų52.248%0.47728%0.279SS..EExtended strand (participates in β ladder)trans-109.998.2168.2-64.517977.500108.1Q334 C360 L361Q334-E368 PolarHBondContact NE2-OE2 3.25Å; Q334-E368 PolarHBondContact OE1-OE2 2.95Å; C360-E368 CarbonylContact C-O 3.59Å; C360-E368 VanDerWaalsContact CA-O 3.32Å; C360-E368 WeakPolarHBondContact CA-O 3.25Å; L361-E368 HydrophobicContact CB-CB 4.4Å; L361-E368 PolarHBondContact N-O 3.24Å; L361-E368 PolarHBondContact O-N 3.04Å
369P98.3Very high98Very high60 Ų6052.4 Ų52.439%0.3928%0.28SS..EExtended strand (participates in β ladder)trans-66135.4-174-20.733000112.8V341 I358V341-P369 HydrophobicContact CB-CG 4.23Å; V341-P369 HydrophobicContact CG1-CG 4.48Å; V341-P369 HydrophobicContact CG2-CB 4.09Å; V341-P369 HydrophobicContact CG2-CG 3.85Å; I358-P369 HydrophobicContact CD1-CB 3.76Å
370L98.3Very high98Very high45 Ų4555.6 Ų55.624%0.23629%0.293CS..PPolyproline II helixtrans-88.1142.9176.8-60.4-179.7000111.4R336 P359 L361 V372R336-L370 VanDerWaalsContact CZ-CD1 3.49Å; P359-L370 HydrophobicContact CB-CD1 4.12Å; P359-L370 VanDerWaalsContact O-CB 3.3Å; P359-L370 WeakPolarHBondContact O-CB 3.21Å; P359-L370 PolarHBondContact O-N 3.05Å; L361-L370 HydrophobicContact CD1-CD2 4.32Å; L361-L370 HydrophobicContact CG-CD2 4.12Å; L370-V372 PolarHBondContact O-N 3.25Å
371T98.4Very high98Very high84 Ų8457.6 Ų57.652%0.51531%0.314SS..PPolyproline II helixtrans-64.8126.7177.9-47.70000111.8R194R194-T371 PolarHBondContact NH1-O 3Å; R194-T371 PolarHBondContact NH2-O 3.16Å
372V98.5Very high98Very high22 Ų2255.6 Ų55.613%0.13330%0.303CS..  trans-86.8-43.1172.2176.50000110.3R194 Y196 A346 I347 I358 L370 I375R194-V372 PolarHBondContact NH2-O 3.11Å; Y196-V372 HydrophobicContact CD1-CG1 3.89Å; Y196-V372 HydrophobicContact CG-CG1 4.01Å; A346-V372 WeakPolarHBondContact O-CA 3.19Å; A346-V372 WeakPolarHBondContact O-CB 3.3Å; A346-V372 PolarHBondContact O-N 3.24Å; I347-V372 HydrophobicContact CG1-CB 3.95Å; I347-V372 HydrophobicContact CG1-CG1 4.27Å; I347-V372 HydrophobicContact CG1-CG2 4.03Å; I358-V372 HydrophobicContact CB-CG2 4.28Å; I358-V372 HydrophobicContact CG2-CG2 3.68Å; L370-V372 PolarHBondContact O-N 3.25Å; V372-I375 HydrophobicContact CG1-CG2 3.95Å
373G98Very high98.1Very high14 Ų1455.6 Ų55.614%0.14430%0.303CS..BIsolated β-bridgetrans95.7-153.5-172.300000112.2A346 I347 H348A346-G373 PolarHBondContact O-N 3.07Å; A346-G373 VanDerWaalsContact O-N 3.14Å; I347-G373 WeakPolarHBondContact CA-O 3.23Å; H348-G373 PolarHBondContact N-O 3.28Å
374D98.4Very high98.1Very high115 Ų11558 Ų5862%0.61532%0.32SS*.PPolyproline II helixtrans-78.7136.5173.3-71.2-37.9000111H348 N349H348-D374 WeakPolarHBondContact CB-OD1 3.08Å; N349-D374 VanDerWaalsContact CB-OD1 3.32Å; N349-D374 WeakPolarHBondContact CB-OD1 3.34Å
375I98.7Very high98.3Very high4 Ų456 Ų562%0.02131%0.311CS..PPolyproline II helixtrans-98.8151.1171.958.7165.9000111.1Y196 I347 N349 V372 K380 M383Y196-I375 HydrophobicContact CD1-CG2 3.82Å; Y196-I375 HydrophobicContact CD2-CB 4.33Å; Y196-I375 HydrophobicContact CD2-CD1 4.4Å; Y196-I375 HydrophobicContact CD2-CG2 3.53Å; Y196-I375 HydrophobicContact CE1-CB 4.48Å; Y196-I375 HydrophobicContact CE1-CG2 3.78Å; Y196-I375 HydrophobicContact CE2-CB 3.86Å; Y196-I375 HydrophobicContact CE2-CD1 4.16Å; Y196-I375 HydrophobicContact CE2-CG2 3.52Å; Y196-I375 HydrophobicContact CG-CG2 3.7Å; I347-I375 HydrophobicContact CG2-CB 4.37Å; I347-I375 HydrophobicContact CG2-CD1 4.04Å; I347-I375 HydrophobicContact CG2-CG1 3.79Å; I347-I375 HydrophobicContact CG2-CG2 3.77Å; N349-I375 PolarHBondContact ND2-O 3Å; N349-I375 WeakPolarHBondContact OD1-CG1 3.5Å; N349-I375 PolarHBondContact OD1-N 3.49Å; V372-I375 HydrophobicContact CG1-CG2 3.95Å; I375-K380 HydrophobicContact CD1-CB 4.01Å; I375-K380 HydrophobicContact CG1-CB 4.13Å; I375-M383 HydrophobicContact CD1-CE 4.17Å; I375-M383 HydrophobicContact CD1-SD 3.57Å; I375-M383 VanDerWaalsContact CD1-SD 3.57Å
376P98.4Very high98.4Very high70 Ų7050.7 Ų50.746%0.45528%0.282SS..PPolyproline II helixtrans-63.9158.4-180-17.630.9000112.9Y196 F378 Q379 K380Y196-P376 WeakPolarHBondContact OH-CD 3.49Å; P376-F378 VanDerWaalsContact C-N 3.28Å; P376-F378 PolarHBondContact O-N 2.66Å; P376-Q379 PolarHBondContact O-N 2.99Å; P376-K380 WeakPolarHBondContact O-CB 3.43Å; P376-K380 PolarHBondContact O-N 3.17Å
377H98.3Very high98.5Very high167 Ų16751 Ų5177%0.77328%0.284SS*.Hα-helixtrans-59.1-34.6-175.5-69.3171.7000114.1G381H377-G381 PolarHBondContact O-N 2.9Å
378F98.4Very high98.6Very high87 Ų8750.9 Ų50.938%0.38229%0.286SS..Hα-helixtrans-61.9-54.9180176.4-114.8000111.1L254 L268 P376 G381 L382L254-F378 HydrophobicContact CB-CZ 4.46Å; L268-F378 HydrophobicContact CD2-CZ 4.15Å; P376-F378 VanDerWaalsContact C-N 3.28Å; P376-F378 PolarHBondContact O-N 2.66Å; F378-G381 PolarHBondContact O-N 3.02Å; F378-L382 HydrophobicContact CD1-CD1 4.13Å; F378-L382 HydrophobicContact CD2-CD1 4.29Å; F378-L382 HydrophobicContact CE1-CD1 3.66Å; F378-L382 HydrophobicContact CE2-CD1 3.84Å; F378-L382 HydrophobicContact CE2-CG 4.38Å; F378-L382 HydrophobicContact CG-CD1 4.44Å; F378-L382 HydrophobicContact CZ-CD1 3.5Å; F378-L382 HydrophobicContact CZ-CG 4.5Å; F378-L382 WeakPolarHBondContact O-CG 3.5Å; F378-L382 PolarHBondContact O-N 3.46Å; F378-L382 VanDerWaalsContact O-N 3.11Å
379Q98.7Very high98.6Very high3 Ų346.1 Ų46.11%0.01426%0.264CS..Hα-helixtrans-65.9-40.9177.7-68.289.6-23.300112Y196 W203 D255 P376 G381 L382 M383Y196-Q379 HydrophobicContact CE2-CB 3.72Å; Y196-Q379 HydrophobicContact CE2-CG 3.96Å; Y196-Q379 WeakPolarHBondContact OH-CB 3.45Å; Y196-Q379 WeakPolarHBondContact OH-CG 3.3Å; Y196-Q379 PolarHBondContact OH-NE2 2.66Å; W203-Q379 HydrophobicContact CD2-CG 3.53Å; W203-Q379 HydrophobicContact CE3-CB 4.05Å; W203-Q379 HydrophobicContact CE3-CG 3.5Å; W203-Q379 HydrophobicContact CG-CG 4.28Å; W203-Q379 HydrophobicContact CH2-CB 3.93Å; W203-Q379 HydrophobicContact CH2-CG 3.65Å; W203-Q379 HydrophobicContact CZ2-CB 4.4Å; W203-Q379 HydrophobicContact CZ2-CG 3.65Å; W203-Q379 HydrophobicContact CZ3-CB 3.74Å; W203-Q379 HydrophobicContact CZ3-CG 3.59Å; D255-Q379 PolarHBondContact OD2-NE2 3.03Å; P376-Q379 PolarHBondContact O-N 2.99Å; Q379-G381 VanDerWaalsContact C-N 3.33Å; Q379-G381 PolarHBondContact O-N 3.23Å; Q379-L382 PolarHBondContact O-N 3.45Å; Q379-M383 HydrophobicContact CB-SD 4.47Å; Q379-M383 VanDerWaalsContact O-CB 3.31Å; Q379-M383 WeakPolarHBondContact O-CB 3.25Å; Q379-M383 VanDerWaalsContact O-CG 3.25Å; Q379-M383 WeakPolarHBondContact O-CG 3.25Å; Q379-M383 PolarHBondContact O-N 3.16Å
380K98.6Very high98.6Very high73 Ų7343.7 Ų43.732%0.31725%0.247SC..Hα-helixtrans-56.1-47175.4178.7172.4170.7164.20111.6N349 I375 P376 S384N349-K380 WeakPolarHBondContact O-CD 3.45Å; N349-K380 WeakPolarHBondContact O-CE 3.46Å; N349-K380 PolarHBondContact O-NZ 3.39Å; I375-K380 HydrophobicContact CD1-CB 4.01Å; I375-K380 HydrophobicContact CG1-CB 4.13Å; P376-K380 WeakPolarHBondContact O-CB 3.43Å; P376-K380 PolarHBondContact O-N 3.17Å; K380-S384 WeakPolarHBondContact O-CB 3.41Å; K380-S384 PolarHBondContact O-N 3.28Å; K380-S384 PolarHBondContact O-OG 3.44Å
381G98.6Very high98.6Very high42 Ų4242.7 Ų42.743%0.43324%0.241SC..Hα-helixtrans-62.7-47179.200000112.3H377 F378 Q379 S384 Q385H377-G381 PolarHBondContact O-N 2.9Å; F378-G381 PolarHBondContact O-N 3.02Å; Q379-G381 VanDerWaalsContact C-N 3.33Å; Q379-G381 PolarHBondContact O-N 3.23Å; G381-S384 PolarHBondContact O-N 3.44Å; G381-Q385 PolarHBondContact O-N 3.3Å; G381-Q385 VanDerWaalsContact O-N 3.09Å
382L98.7Very high98.6Very high13 Ų1339.9 Ų39.97%0.06822%0.222CC..Hα-helixtrans-61-49.9177.4-74.6177.8000112.4F201 W203 L268 F378 Q379 Q385 Q386 K413F201-L382 HydrophobicContact CE1-CB 3.67Å; F201-L382 HydrophobicContact CZ-CB 3.75Å; W203-L382 HydrophobicContact CH2-CB 4.43Å; W203-L382 HydrophobicContact CH2-CD1 4.26Å; W203-L382 HydrophobicContact CZ2-CD1 4.01Å; L268-L382 HydrophobicContact CD2-CD1 4.18Å; L268-L382 HydrophobicContact CD2-CD2 4.36Å; F378-L382 HydrophobicContact CD1-CD1 4.13Å; F378-L382 HydrophobicContact CD2-CD1 4.29Å; F378-L382 HydrophobicContact CE1-CD1 3.66Å; F378-L382 HydrophobicContact CE2-CD1 3.84Å; F378-L382 HydrophobicContact CE2-CG 4.38Å; F378-L382 HydrophobicContact CG-CD1 4.44Å; F378-L382 HydrophobicContact CZ-CD1 3.5Å; F378-L382 HydrophobicContact CZ-CG 4.5Å; F378-L382 WeakPolarHBondContact O-CG 3.5Å; F378-L382 PolarHBondContact O-N 3.46Å; F378-L382 VanDerWaalsContact O-N 3.11Å; Q379-L382 PolarHBondContact O-N 3.45Å; L382-Q385 PolarHBondContact O-N 2.93Å; L382-Q386 PolarHBondContact O-N 3.29Å; L382-Q386 VanDerWaalsContact O-N 3.07Å; L382-K413 HydrophobicContact CD2-CD 3.84Å
383M98.8Very high98.7Very high0 Ų038.8 Ų38.80%022%0.216CC..Hα-helixtrans-65.1-39.2179-69171.161.700111.6Y196 L198 F201 W203 I347 F350 I375 Q379 Q385 Q386 V387Y196-M383 HydrophobicContact CD2-CE 4.47Å; Y196-M383 HydrophobicContact CD2-SD 3.86Å; Y196-M383 HydrophobicContact CE2-SD 3.97Å; L198-M383 HydrophobicContact CD2-CE 4.19Å; L198-M383 HydrophobicContact CG-CE 4.45Å; L198-M383 HydrophobicContact CG-CG 4.5Å; F201-M383 HydrophobicContact CD1-CG 4.04Å; F201-M383 HydrophobicContact CE1-CG 4.08Å; W203-M383 HydrophobicContact CH2-CG 4.29Å; W203-M383 HydrophobicContact CZ3-CG 3.84Å; W203-M383 HydrophobicContact CZ3-SD 3.84Å; I347-M383 HydrophobicContact CD1-CE 3.94Å; F350-M383 HydrophobicContact CD1-CE 4.32Å; F350-M383 HydrophobicContact CE1-CE 4.03Å; F350-M383 HydrophobicContact CE2-CB 3.57Å; F350-M383 HydrophobicContact CE2-CE 4.4Å; F350-M383 HydrophobicContact CZ-CB 3.61Å; F350-M383 HydrophobicContact CZ-CE 4.09Å; I375-M383 HydrophobicContact CD1-CE 4.17Å; I375-M383 HydrophobicContact CD1-SD 3.57Å; I375-M383 VanDerWaalsContact CD1-SD 3.57Å; Q379-M383 HydrophobicContact CB-SD 4.47Å; Q379-M383 VanDerWaalsContact O-CB 3.31Å; Q379-M383 WeakPolarHBondContact O-CB 3.25Å; Q379-M383 VanDerWaalsContact O-CG 3.25Å; Q379-M383 WeakPolarHBondContact O-CG 3.25Å; Q379-M383 PolarHBondContact O-N 3.16Å; M383-Q385 VanDerWaalsContact C-N 3.33Å; M383-Q385 PolarHBondContact O-N 2.97Å; M383-Q386 PolarHBondContact O-N 2.86Å; M383-V387 WeakPolarHBondContact O-CB 3.48Å; M383-V387 WeakPolarHBondContact O-CG1 3.45Å; M383-V387 PolarHBondContact O-N 3Å
384S98.8Very high98.7Very high49 Ų4938.1 Ų38.134%0.34321%0.209SC..Hα-helixtrans-64.9-39.5179.9-58.90000111.3F350 K380 G381 A388F350-S384 WeakPolarHBondContact CE2-OG 3.29Å; K380-S384 WeakPolarHBondContact O-CB 3.41Å; K380-S384 PolarHBondContact O-N 3.28Å; K380-S384 PolarHBondContact O-OG 3.44Å; G381-S384 PolarHBondContact O-N 3.44Å; S384-A388 WeakPolarHBondContact O-CB 3.42Å; S384-A388 PolarHBondContact O-N 3.22Å
385Q98.8Very high98.7Very high63 Ų6333.8 Ų33.829%0.29419%0.186SC..Hα-helixtrans-64.1-46.9174.2-176.8178.68.700111G381 L382 M383 A388 V389 L411G381-Q385 PolarHBondContact O-N 3.3Å; G381-Q385 VanDerWaalsContact O-N 3.09Å; L382-Q385 PolarHBondContact O-N 2.93Å; M383-Q385 VanDerWaalsContact C-N 3.33Å; M383-Q385 PolarHBondContact O-N 2.97Å; Q385-A388 PolarHBondContact O-N 2.89Å; Q385-V389 PolarHBondContact O-N 3.07Å; Q385-L411 HydrophobicContact CG-CD1 4.29Å; Q385-L411 HydrophobicContact CG-CG 4.25Å; Q385-L411 PolarHBondContact NE2-O 3.23Å
386Q98.9Very high98.7Very high15 Ų1533.6 Ų33.67%0.0719%0.185CC..Hα-helixtrans-70.3-43.4-175.3-179.554.432.500112.7L198 F201 Y267 L382 M383 A388 V389 E390L198-Q386 HydrophobicContact CD1-CB 3.89Å; L198-Q386 HydrophobicContact CD1-CG 3.74Å; F201-Q386 HydrophobicContact CD2-CB 4.38Å; F201-Q386 HydrophobicContact CD2-CG 3.95Å; F201-Q386 HydrophobicContact CE1-CB 4.49Å; F201-Q386 HydrophobicContact CE2-CB 4.08Å; F201-Q386 HydrophobicContact CE2-CG 4.08Å; F201-Q386 HydrophobicContact CG-CG 4.35Å; F201-Q386 HydrophobicContact CZ-CB 4.15Å; Y267-Q386 VanDerWaalsContact CE1-OE1 3.25Å; L382-Q386 PolarHBondContact O-N 3.29Å; L382-Q386 VanDerWaalsContact O-N 3.07Å; M383-Q386 PolarHBondContact O-N 2.86Å; Q386-A388 PolarHBondContact O-N 3.44Å; Q386-V389 VanDerWaalsContact O-CB 3.29Å; Q386-V389 WeakPolarHBondContact O-CB 3.31Å; Q386-V389 PolarHBondContact O-N 3.47Å; Q386-E390 WeakPolarHBondContact CG-OE1 3.31Å; Q386-E390 PolarHBondContact NE2-OE1 3.3Å; Q386-E390 PolarHBondContact O-N 2.92Å; Q386-E390 VanDerWaalsContact O-N 3.14Å
387V98.8Very high98.7Very high9 Ų933 Ų336%0.05517%0.173CC..Hα-helixtrans-64.6-31.917776.20000111.6L198 F350 A354 M383 V389 E390 K391L198-V387 HydrophobicContact CD1-CB 3.99Å; L198-V387 HydrophobicContact CD2-CB 4.34Å; L198-V387 HydrophobicContact CD2-CG2 4.44Å; F350-V387 HydrophobicContact CE1-CG1 4.37Å; F350-V387 HydrophobicContact CZ-CB 4.21Å; F350-V387 HydrophobicContact CZ-CG1 3.73Å; A354-V387 HydrophobicContact CB-CG2 3.85Å; M383-V387 WeakPolarHBondContact O-CB 3.48Å; M383-V387 WeakPolarHBondContact O-CG1 3.45Å; M383-V387 PolarHBondContact O-N 3Å; V387-V389 VanDerWaalsContact C-N 3.32Å; V387-V389 PolarHBondContact O-N 3.32Å; V387-E390 PolarHBondContact O-N 2.86Å; V387-K391 HydrophobicContact CG2-CD 4.48Å; V387-K391 HydrophobicContact CG2-CG 4.42Å; V387-K391 WeakPolarHBondContact O-CB 3.24Å; V387-K391 VanDerWaalsContact O-CG 3.28Å; V387-K391 WeakPolarHBondContact O-CG 3.31Å; V387-K391 PolarHBondContact O-N 3.29Å
388A98.8Very high98.7Very high32 Ų3229.6 Ų29.626%0.26416%0.158SC..Hα-helixtrans-65-36.317400000111.9S384 Q385 Q386 L392 L411S384-A388 WeakPolarHBondContact O-CB 3.42Å; S384-A388 PolarHBondContact O-N 3.22Å; Q385-A388 PolarHBondContact O-N 2.89Å; Q386-A388 PolarHBondContact O-N 3.44Å; A388-L392 WeakPolarHBondContact O-CB 3.39Å; A388-L392 WeakPolarHBondContact O-CD1 3.41Å; A388-L392 WeakPolarHBondContact O-CG 3.22Å; A388-L392 PolarHBondContact O-N 3.4Å; A388-L411 HydrophobicContact CB-CD2 3.53Å
389V98.9Very high98.7Very high2 Ų230.4 Ų30.41%0.01216%0.163CC..Hα-helixtrans-59.6-53.4171.2175.30000109.7I116 Q385 Q386 V387 K391 L392 V393 A408 L411I116-V389 HydrophobicContact CD1-CG1 3.71Å; I116-V389 HydrophobicContact CG1-CG1 4.12Å; Q385-V389 PolarHBondContact O-N 3.07Å; Q386-V389 VanDerWaalsContact O-CB 3.29Å; Q386-V389 WeakPolarHBondContact O-CB 3.31Å; Q386-V389 PolarHBondContact O-N 3.47Å; V387-V389 VanDerWaalsContact C-N 3.32Å; V387-V389 PolarHBondContact O-N 3.32Å; V389-K391 PolarHBondContact O-N 3.26Å; V389-L392 PolarHBondContact O-N 3.11Å; V389-L392 VanDerWaalsContact O-N 3.12Å; V389-V393 WeakPolarHBondContact O-CG2 3.5Å; V389-V393 PolarHBondContact O-N 2.68Å; V389-A408 HydrophobicContact CG1-CB 4.31Å; V389-L411 HydrophobicContact CG2-CB 3.98Å; V389-L411 HydrophobicContact CG2-CD2 4.35Å; V389-L411 HydrophobicContact CG2-CG 4.09Å
390E98.8Very high98.7Very high9 Ų936.4 Ų36.44%0.04219%0.185CC..Hα-helixtrans-58.8-45.4-177.5-67.2154.8-170.300112A150 I151 Q386 V387 L392 V393 V394A150-E390 HydrophobicContact CB-CG 4.18Å; I151-E390 HydrophobicContact CG1-CB 4.33Å; I151-E390 HydrophobicContact CG1-CG 4.06Å; Q386-E390 WeakPolarHBondContact CG-OE1 3.31Å; Q386-E390 PolarHBondContact NE2-OE1 3.3Å; Q386-E390 PolarHBondContact O-N 2.92Å; Q386-E390 VanDerWaalsContact O-N 3.14Å; V387-E390 PolarHBondContact O-N 2.86Å; E390-L392 PolarHBondContact O-N 3.3Å; E390-V393 PolarHBondContact O-N 2.78Å; E390-V394 PolarHBondContact O-N 2.81Å
391K98.8Very high98.7Very high23 Ų2334 Ų3410%0.118%0.178CC..Hα-helixtrans-60.4-41.4174.8-73.5-175.6178.9-72.20112.4E154 D353 V387 V389 V394 D395E154-K391 HydrophobicContact CG-CG 4.24Å; E154-K391 WeakPolarHBondContact OE1-CG 3.43Å; E154-K391 IonicContact OE1-NZ 2.73Å; E154-K391 PolarHBondContact OE1-NZ 3.12Å; E154-K391 IonicContact OE2-NZ 3.01Å; D353-K391 PolarHBondContact O-NZ 2.94Å; D353-K391 WeakPolarHBondContact OD1-CE 3.09Å; D353-K391 IonicContact OD1-NZ 3.55Å; D353-K391 PolarHBondContact OD1-NZ 3.28Å; D353-K391 IonicContact OD2-NZ 3.51Å; D353-K391 PolarHBondContact OD2-NZ 2.93Å; V387-K391 HydrophobicContact CG2-CD 4.48Å; V387-K391 HydrophobicContact CG2-CG 4.42Å; V387-K391 WeakPolarHBondContact O-CB 3.24Å; V387-K391 VanDerWaalsContact O-CG 3.28Å; V387-K391 WeakPolarHBondContact O-CG 3.31Å; V387-K391 PolarHBondContact O-N 3.29Å; V389-K391 PolarHBondContact O-N 3.26Å; K391-V394 PolarHBondContact O-N 3.25Å; K391-D395 PolarHBondContact O-N 3Å
392L98.9Very high98.7Very high25 Ų2534.2 Ų34.213%0.13117%0.166CC..Hα-helixtrans-69.6-31177.8-75.4166.8000112.9A388 V389 E390 A396 K404 Q407 A408 L411A388-L392 WeakPolarHBondContact O-CB 3.39Å; A388-L392 WeakPolarHBondContact O-CD1 3.41Å; A388-L392 WeakPolarHBondContact O-CG 3.22Å; A388-L392 PolarHBondContact O-N 3.4Å; V389-L392 PolarHBondContact O-N 3.11Å; V389-L392 VanDerWaalsContact O-N 3.12Å; E390-L392 PolarHBondContact O-N 3.3Å; L392-A396 WeakPolarHBondContact O-CB 3.36Å; L392-A396 PolarHBondContact O-N 2.81Å; L392-K404 HydrophobicContact CD2-CD 3.69Å; L392-Q407 HydrophobicContact CD1-CB 3.98Å; L392-Q407 HydrophobicContact CD2-CB 4.39Å; L392-A408 HydrophobicContact CB-CB 3.65Å; L392-L411 HydrophobicContact CD1-CD2 4.1Å
393V98.9Very high98.7Very high0 Ų038.3 Ų38.30%018%0.184CC..Hα-helixtrans-64.1-45.3171.8179.20000110.3I116 M120 I151 V389 E390 A396 W397 L405 A408I116-V393 HydrophobicContact CB-CG2 4.26Å; I116-V393 HydrophobicContact CG1-CG2 3.96Å; I116-V393 HydrophobicContact CG2-CG1 4.4Å; I116-V393 HydrophobicContact CG2-CG2 3.65Å; M120-V393 HydrophobicContact CG-CG1 3.9Å; M120-V393 HydrophobicContact SD-CG1 3.73Å; I151-V393 HydrophobicContact CD1-CG1 4.3Å; I151-V393 HydrophobicContact CD1-CG2 4.36Å; I151-V393 HydrophobicContact CG2-CB 4.43Å; I151-V393 HydrophobicContact CG2-CG1 3.95Å; V389-V393 WeakPolarHBondContact O-CG2 3.5Å; V389-V393 PolarHBondContact O-N 2.68Å; E390-V393 PolarHBondContact O-N 2.78Å; V393-A396 WeakPolarHBondContact O-CB 3.47Å; V393-A396 PolarHBondContact O-N 3.32Å; V393-W397 PolarHBondContact O-N 3.37Å; V393-L405 HydrophobicContact CG1-CD1 4.3Å; V393-L405 HydrophobicContact CG2-CD1 4.21Å; V393-A408 HydrophobicContact CG2-CB 3.83Å
394V98.8Very high98.7Very high0 Ų040.8 Ų40.80%020%0.195CC..Hα-helixtrans-66.6-40.3177.3-179.20000111.4I123 I151 E154 A155 E390 K391 A396 W397 E398I123-V394 HydrophobicContact CD1-CG2 4.27Å; I151-V394 HydrophobicContact CG2-CG2 4.24Å; E154-V394 HydrophobicContact CB-CG2 4.01Å; E154-V394 HydrophobicContact CG-CB 4.22Å; E154-V394 HydrophobicContact CG-CG2 3.78Å; A155-V394 HydrophobicContact CB-CG1 4.2Å; A155-V394 HydrophobicContact CB-CG2 4.02Å; E390-V394 PolarHBondContact O-N 2.81Å; K391-V394 PolarHBondContact O-N 3.25Å; V394-A396 VanDerWaalsContact C-N 3.29Å; V394-A396 PolarHBondContact O-N 3.22Å; V394-W397 PolarHBondContact O-N 3.02Å; V394-E398 WeakPolarHBondContact O-CB 3.38Å; V394-E398 PolarHBondContact O-N 2.85Å
395D98.7Very high98.7Very high23 Ų2338.5 Ų38.512%0.12318%0.179CC..Hα-helixtrans-54.2-46.9170.2-78.33.8000111.1R158 K391 W397 E398 Q399 K404R158-D395 IonicContact CZ-OD1 2.97Å; R158-D395 IonicContact NH1-OD1 2.69Å; R158-D395 PolarHBondContact NH1-OD1 2.86Å; R158-D395 IonicContact NH2-OD1 2.86Å; K391-D395 PolarHBondContact O-N 3Å; D395-W397 VanDerWaalsContact C-N 3.35Å; D395-W397 PolarHBondContact O-N 3.43Å; D395-E398 PolarHBondContact O-N 3.38Å; D395-Q399 WeakPolarHBondContact O-CB 3.35Å; D395-Q399 VanDerWaalsContact O-CG 3.3Å; D395-Q399 WeakPolarHBondContact O-CG 3.45Å; D395-Q399 PolarHBondContact O-N 2.9Å; D395-K404 HydrophobicContact CB-CB 4.31Å; D395-K404 HydrophobicContact CB-CD 3.93Å; D395-K404 HydrophobicContact CB-CG 4.14Å; D395-K404 IonicContact OD2-NZ 2.96Å; D395-K404 PolarHBondContact OD2-NZ 3.42Å
396A98.8Very high98.7Very high0 Ų038.7 Ų38.70%018%0.177CC..Hα-helixtrans-64.6-39.2-178.900000112.5L392 V393 V394 R400 S401 K404 L405L392-A396 WeakPolarHBondContact O-CB 3.36Å; L392-A396 PolarHBondContact O-N 2.81Å; V393-A396 WeakPolarHBondContact O-CB 3.47Å; V393-A396 PolarHBondContact O-N 3.32Å; V394-A396 VanDerWaalsContact C-N 3.29Å; V394-A396 PolarHBondContact O-N 3.22Å; A396-R400 CarbonylContact O-C 3.32Å; A396-R400 WeakPolarHBondContact O-CA 3.02Å; A396-R400 PolarHBondContact O-N 3.2Å; A396-S401 WeakPolarHBondContact CB-O 3.47Å; A396-S401 PolarHBondContact O-N 2.68Å; A396-K404 HydrophobicContact CB-CB 3.77Å; A396-L405 HydrophobicContact CB-CB 3.69Å; A396-L405 HydrophobicContact CB-CD1 4.13Å; A396-L405 HydrophobicContact CB-CG 4.42Å
397W98.6Very high98.7Very high58 Ų5841.5 Ų41.522%0.2219%0.19CC..Hα-helixtrans-67.1-48.4176.9-168.195.8000111.7M120 I123 L127 L159 V393 V394 D395 P437M120-W397 HydrophobicContact CE-CB 4.14Å; M120-W397 HydrophobicContact CE-CG 4.46Å; M120-W397 PolarHBondContact O-NE1 2.97Å; M120-W397 HydrophobicContact SD-CB 3.83Å; M120-W397 HydrophobicContact SD-CG 4.36Å; I123-W397 HydrophobicContact CB-CD2 4.16Å; I123-W397 HydrophobicContact CB-CG 4.23Å; I123-W397 HydrophobicContact CB-CZ2 4.48Å; I123-W397 HydrophobicContact CD1-CB 3.82Å; I123-W397 HydrophobicContact CD1-CD2 4.39Å; I123-W397 HydrophobicContact CD1-CG 3.76Å; I123-W397 HydrophobicContact CG2-CD2 3.53Å; I123-W397 HydrophobicContact CG2-CE3 3.8Å; I123-W397 HydrophobicContact CG2-CG 4.04Å; I123-W397 HydrophobicContact CG2-CH2 4.06Å; I123-W397 HydrophobicContact CG2-CZ2 3.8Å; I123-W397 HydrophobicContact CG2-CZ3 4.06Å; L127-W397 HydrophobicContact CD1-CH2 3.8Å; L127-W397 HydrophobicContact CD1-CZ2 4.5Å; L127-W397 HydrophobicContact CD1-CZ3 4.06Å; L159-W397 HydrophobicContact CD1-CE3 4Å; L159-W397 HydrophobicContact CD1-CZ3 3.73Å; V393-W397 PolarHBondContact O-N 3.37Å; V394-W397 PolarHBondContact O-N 3.02Å; D395-W397 VanDerWaalsContact C-N 3.35Å; D395-W397 PolarHBondContact O-N 3.43Å; W397-P437 HydrophobicContact CG-CG 4.25Å
398E98.2Very high98.7Very high96 Ų9641 Ų4145%0.44919%0.187SC..Hα-helixtrans-66.7-45.2-178.9-178.8178.3-153.200112L159 V394 D395L159-E398 HydrophobicContact CD2-CG 4.34Å; V394-E398 WeakPolarHBondContact O-CB 3.38Å; V394-E398 PolarHBondContact O-N 2.85Å; D395-E398 PolarHBondContact O-N 3.38Å
399Q98.4Very high98.7Very high103 Ų10339.5 Ų39.548%0.48118%0.175SC..Hα-helixtrans-91.7-0.4-175.1-5816527.900112.7D395 S401D395-Q399 WeakPolarHBondContact O-CB 3.35Å; D395-Q399 VanDerWaalsContact O-CG 3.3Å; D395-Q399 WeakPolarHBondContact O-CG 3.45Å; D395-Q399 PolarHBondContact O-N 2.9Å; Q399-S401 PolarHBondContact O-N 3.35Å
400R98.4Very high98.7Very high130 Ų13041.7 Ų41.749%0.49119%0.188SC..THydrogen-bonded Turntrans51.142.7-174.1-63.1-171.9-177.5-165.2-0.9112.3A396 P437 E438 L439 H440A396-R400 CarbonylContact O-C 3.32Å; A396-R400 WeakPolarHBondContact O-CA 3.02Å; A396-R400 PolarHBondContact O-N 3.2Å; R400-P437 HydrophobicContact CG-CB 4.32Å; R400-E438 VanDerWaalsContact CB-O 3.31Å; R400-E438 WeakPolarHBondContact CB-O 3.35Å; R400-L439 CarbonylContact O-C 3.56Å; R400-L439 WeakPolarHBondContact O-CA 3.42Å; R400-H440 PolarHBondContact O-N 2.95Å
401S98.8Very high98.7Very high23 Ų2344.3 Ų44.316%0.16120%0.202CC..  trans-103.8115.8-168.7179.80000112.4A396 Q399 H403 K404 L405A396-S401 WeakPolarHBondContact CB-O 3.47Å; A396-S401 PolarHBondContact O-N 2.68Å; Q399-S401 PolarHBondContact O-N 3.35Å; S401-H403 VanDerWaalsContact C-N 3.27Å; S401-H403 PolarHBondContact O-N 2.77Å; S401-H403 PolarHBondContact OG-N 3.19Å; S401-K404 PolarHBondContact O-N 3.38Å; S401-K404 PolarHBondContact OG-N 3.12Å; S401-L405 PolarHBondContact O-N 2.77Å
402Y98.8Very high98.7Very high46 Ų4643.3 Ų43.318%0.1820%0.198CC..Hα-helixtrans-57.9-44170176.4-84.2000110.8K404 L405 W406 K422 L425 D426 I429 H440Y402-K404 PolarHBondContact O-N 2.89Å; Y402-L405 PolarHBondContact O-N 3.25Å; Y402-W406 HydrophobicContact CE1-CB 4.39Å; Y402-W406 HydrophobicContact CE1-CE3 4.42Å; Y402-W406 PolarHBondContact O-N 3.33Å; Y402-K422 WeakPolarHBondContact OH-CE 3.33Å; Y402-K422 VanDerWaalsContact OH-CG 3.3Å; Y402-K422 WeakPolarHBondContact OH-CG 3.28Å; Y402-K422 PolarHBondContact OH-NZ 2.9Å; Y402-K422 VanDerWaalsContact OH-NZ 3.12Å; Y402-L425 HydrophobicContact CD1-CD2 4.41Å; Y402-L425 HydrophobicContact CD2-CD2 4.02Å; Y402-L425 HydrophobicContact CE1-CD2 4.04Å; Y402-L425 HydrophobicContact CE2-CD2 3.63Å; Y402-L425 HydrophobicContact CE2-CG 3.95Å; Y402-L425 HydrophobicContact CG-CD2 4.39Å; Y402-D426 WeakPolarHBondContact CE2-OD1 3.49Å; Y402-D426 PolarHBondContact OH-OD1 3.07Å; Y402-I429 HydrophobicContact CD2-CD1 3.53Å; Y402-I429 HydrophobicContact CE2-CD1 3.57Å; Y402-H440 WeakPolarHBondContact CB-O 3.47Å; Y402-H440 PolarHBondContact N-O 2.75Å
403H98.7Very high98.7Very high99 Ų9946.2 Ų46.246%0.45821%0.21SC..Hα-helixtrans-64.8-40.9-175.1-16774.9000112.6S401 W406 Q407S401-H403 VanDerWaalsContact C-N 3.27Å; S401-H403 PolarHBondContact O-N 2.77Å; S401-H403 PolarHBondContact OG-N 3.19Å; H403-W406 AromaticContact ND1-CE3 3.94Å; H403-W406 PolarHBondContact O-N 2.77Å; H403-Q407 PolarHBondContact CD2-NE2 3.21Å; H403-Q407 PolarHBondContact NE2-NE2 3.49Å; H403-Q407 WeakPolarHBondContact O-CG 3.41Å; H403-Q407 PolarHBondContact O-N 3.02Å
404K98.8Very high98.7Very high52 Ų5246.7 Ų46.723%0.22621%0.212CC..Hα-helixtrans-63.4-41.5175.8-71.5-74.4-169.4158.40112L392 D395 A396 S401 Y402 W406 Q407 A408L392-K404 HydrophobicContact CD2-CD 3.69Å; D395-K404 HydrophobicContact CB-CB 4.31Å; D395-K404 HydrophobicContact CB-CD 3.93Å; D395-K404 HydrophobicContact CB-CG 4.14Å; D395-K404 IonicContact OD2-NZ 2.96Å; D395-K404 PolarHBondContact OD2-NZ 3.42Å; A396-K404 HydrophobicContact CB-CB 3.77Å; S401-K404 PolarHBondContact O-N 3.38Å; S401-K404 PolarHBondContact OG-N 3.12Å; Y402-K404 PolarHBondContact O-N 2.89Å; K404-W406 VanDerWaalsContact C-N 3.33Å; K404-W406 PolarHBondContact O-N 2.98Å; K404-Q407 WeakPolarHBondContact O-CB 3.16Å; K404-Q407 PolarHBondContact O-N 3.29Å; K404-A408 PolarHBondContact O-N 2.96Å
405L98.8Very high98.7Very high0 Ų047.3 Ų47.30%022%0.216CC..Hα-helixtrans-68.1-37177.9-16256.1000111.4I116 M120 V393 A396 S401 Y402 A408 I409 L425 W436 L439I116-L405 HydrophobicContact CG2-CD1 3.64Å; M120-L405 HydrophobicContact CE-CD2 4.16Å; M120-L405 HydrophobicContact CG-CD1 4.06Å; M120-L405 HydrophobicContact CG-CD2 4.15Å; M120-L405 HydrophobicContact SD-CD1 4.14Å; M120-L405 HydrophobicContact SD-CD2 4.41Å; V393-L405 HydrophobicContact CG1-CD1 4.3Å; V393-L405 HydrophobicContact CG2-CD1 4.21Å; A396-L405 HydrophobicContact CB-CB 3.69Å; A396-L405 HydrophobicContact CB-CD1 4.13Å; A396-L405 HydrophobicContact CB-CG 4.42Å; S401-L405 PolarHBondContact O-N 2.77Å; Y402-L405 PolarHBondContact O-N 3.25Å; L405-A408 WeakPolarHBondContact O-CB 3.35Å; L405-A408 PolarHBondContact O-N 3.39Å; L405-I409 HydrophobicContact CG-CD1 4.4Å; L405-I409 WeakPolarHBondContact O-CG1 3.29Å; L405-I409 PolarHBondContact O-N 3.21Å; L405-L425 HydrophobicContact CB-CD1 4.26Å; L405-L425 HydrophobicContact CD2-CD1 3.58Å; L405-L425 HydrophobicContact CG-CD1 3.83Å; L405-W436 HydrophobicContact CD2-CE3 4.17Å; L405-W436 HydrophobicContact CD2-CH2 4.04Å; L405-W436 HydrophobicContact CD2-CZ3 3.55Å; L405-L439 HydrophobicContact CD2-CD1 3.63Å
406W98.9Very high98.6Very high68 Ų6851 Ų5126%0.25824%0.242SC..Hα-helixtrans-63.5-41.5173.2-175.126.2000112.2Y402 H403 K404 A408 I409 T410 A418 K422 L425Y402-W406 HydrophobicContact CE1-CB 4.39Å; Y402-W406 HydrophobicContact CE1-CE3 4.42Å; Y402-W406 PolarHBondContact O-N 3.33Å; H403-W406 AromaticContact ND1-CE3 3.94Å; H403-W406 PolarHBondContact O-N 2.77Å; K404-W406 VanDerWaalsContact C-N 3.33Å; K404-W406 PolarHBondContact O-N 2.98Å; W406-A408 VanDerWaalsContact C-N 3.35Å; W406-I409 PolarHBondContact O-N 3.13Å; W406-T410 PolarHBondContact NE1-OG1 3.42Å; W406-T410 VanDerWaalsContact O-CB 3.26Å; W406-T410 WeakPolarHBondContact O-CB 3.36Å; W406-T410 PolarHBondContact O-N 3.36Å; W406-T410 PolarHBondContact O-OG1 3.32Å; W406-A418 HydrophobicContact CZ2-CB 4.21Å; W406-A418 PolarHBondContact NE1-O 3.12Å; W406-K422 HydrophobicContact CZ2-CB 4.09Å; W406-K422 HydrophobicContact CZ2-CD 4.26Å; W406-K422 HydrophobicContact CZ2-CG 4.34Å; W406-L425 HydrophobicContact CB-CD2 3.62Å; W406-L425 HydrophobicContact CG-CD2 4.33Å
407Q98.9Very high98.6Very high73 Ų7353.3 Ų53.334%0.34126%0.258SS..Hα-helixtrans-59.7-44.6171.9-71.7174.7-13.300111.2L392 H403 K404 T410 L411L392-Q407 HydrophobicContact CD1-CB 3.98Å; L392-Q407 HydrophobicContact CD2-CB 4.39Å; H403-Q407 PolarHBondContact CD2-NE2 3.21Å; H403-Q407 PolarHBondContact NE2-NE2 3.49Å; H403-Q407 WeakPolarHBondContact O-CG 3.41Å; H403-Q407 PolarHBondContact O-N 3.02Å; K404-Q407 WeakPolarHBondContact O-CB 3.16Å; K404-Q407 PolarHBondContact O-N 3.29Å; Q407-T410 PolarHBondContact O-N 3.16Å; Q407-L411 VanDerWaalsContact O-CB 3.28Å; Q407-L411 WeakPolarHBondContact O-CB 3.49Å; Q407-L411 PolarHBondContact O-N 3.11Å
408A98.9Very high98.6Very high0 Ų052.5 Ų52.50%026%0.264CS..Hα-helixtrans-58.6-50.4178.300000111.9V389 L392 V393 K404 L405 W406 T410 L411 S412V389-A408 HydrophobicContact CG1-CB 4.31Å; L392-A408 HydrophobicContact CB-CB 3.65Å; V393-A408 HydrophobicContact CG2-CB 3.83Å; K404-A408 PolarHBondContact O-N 2.96Å; L405-A408 WeakPolarHBondContact O-CB 3.35Å; L405-A408 PolarHBondContact O-N 3.39Å; W406-A408 VanDerWaalsContact C-N 3.35Å; A408-T410 PolarHBondContact O-N 3.39Å; A408-L411 PolarHBondContact O-N 3.06Å; A408-S412 PolarHBondContact O-N 2.87Å
409I98.8Very high98.6Very high0 Ų052.6 Ų52.60%028%0.275CS..Hα-helixtrans-65.1-41.4179.6-62.9167.6000110.4P113 I116 L405 W406 L411 S412 V415 A421 L425P113-I409 HydrophobicContact CG-CG2 4.26Å; I116-I409 HydrophobicContact CD1-CB 4.49Å; I116-I409 HydrophobicContact CD1-CG1 3.86Å; I116-I409 HydrophobicContact CG2-CG1 4.17Å; L405-I409 HydrophobicContact CG-CD1 4.4Å; L405-I409 WeakPolarHBondContact O-CG1 3.29Å; L405-I409 PolarHBondContact O-N 3.21Å; W406-I409 PolarHBondContact O-N 3.13Å; I409-L411 VanDerWaalsContact C-N 3.32Å; I409-L411 PolarHBondContact O-N 2.83Å; I409-S412 WeakPolarHBondContact O-CB 3.24Å; I409-S412 PolarHBondContact O-N 3.41Å; I409-V415 HydrophobicContact CG2-CG1 4.42Å; I409-V415 HydrophobicContact CG2-CG2 3.98Å; I409-V415 WeakPolarHBondContact O-CB 3.43Å; I409-V415 VanDerWaalsContact O-CG2 3.29Å; I409-V415 WeakPolarHBondContact O-CG2 3.05Å; I409-A421 HydrophobicContact CB-CB 4.13Å; I409-A421 HydrophobicContact CG2-CB 3.61Å; I409-L425 HydrophobicContact CD1-CB 3.76Å; I409-L425 HydrophobicContact CD1-CD1 3.85Å; I409-L425 HydrophobicContact CD1-CG 4.27Å
410T98.9Very high98.7Very high48 Ų4849.4 Ų49.429%0.29426%0.262SS..Hα-helixtrans-62.4-38177.7-60.90000112.4W406 Q407 A408 S412 A418 A421W406-T410 PolarHBondContact NE1-OG1 3.42Å; W406-T410 VanDerWaalsContact O-CB 3.26Å; W406-T410 WeakPolarHBondContact O-CB 3.36Å; W406-T410 PolarHBondContact O-N 3.36Å; W406-T410 PolarHBondContact O-OG1 3.32Å; Q407-T410 PolarHBondContact O-N 3.16Å; A408-T410 PolarHBondContact O-N 3.39Å; T410-S412 VanDerWaalsContact C-N 3.33Å; T410-A418 HydrophobicContact CG2-CB 3.72Å; T410-A421 VanDerWaalsContact OG1-CB 3.29Å; T410-A421 WeakPolarHBondContact OG1-CB 3.43Å
411L98.7Very high98.7Very high64 Ų6443.2 Ų43.234%0.33524%0.239SC..Hα-helixtrans-77.7-19.7-177.9-17162.2000112.7Q385 A388 V389 L392 Q407 A408 I409 K413Q385-L411 HydrophobicContact CG-CD1 4.29Å; Q385-L411 HydrophobicContact CG-CG 4.25Å; Q385-L411 PolarHBondContact NE2-O 3.23Å; A388-L411 HydrophobicContact CB-CD2 3.53Å; V389-L411 HydrophobicContact CG2-CB 3.98Å; V389-L411 HydrophobicContact CG2-CD2 4.35Å; V389-L411 HydrophobicContact CG2-CG 4.09Å; L392-L411 HydrophobicContact CD1-CD2 4.1Å; Q407-L411 VanDerWaalsContact O-CB 3.28Å; Q407-L411 WeakPolarHBondContact O-CB 3.49Å; Q407-L411 PolarHBondContact O-N 3.11Å; A408-L411 PolarHBondContact O-N 3.06Å; I409-L411 VanDerWaalsContact C-N 3.32Å; I409-L411 PolarHBondContact O-N 2.83Å; L411-K413 PolarHBondContact O-N 2.94Å
412S98.7Very high98.7Very high2 Ų245.8 Ų45.81%0.01425%0.247CC..SBendtrans-58.1127.5177.5-175.60000111.1A408 I409 T410 T414 V415A408-S412 PolarHBondContact O-N 2.87Å; I409-S412 WeakPolarHBondContact O-CB 3.24Å; I409-S412 PolarHBondContact O-N 3.41Å; T410-S412 VanDerWaalsContact C-N 3.33Å; S412-T414 PolarHBondContact O-N 3.46Å; S412-T414 PolarHBondContact OG-OG1 3.01Å; S412-V415 PolarHBondContact O-N 3.19Å
413K98.5Very high98.7Very high85 Ų8545.3 Ų45.337%0.3725%0.253SS..THydrogen-bonded Turntrans-58.4-15.5178.3-171.4170.8175.762.70113.7Y267 L382 L411Y267-K413 HydrophobicContact CD1-CB 4.39Å; Y267-K413 WeakPolarHBondContact O-CD 3.49Å; Y267-K413 WeakPolarHBondContact O-CE 3.25Å; L382-K413 HydrophobicContact CD2-CD 3.84Å; L411-K413 PolarHBondContact O-N 2.94Å
414T98.5Very high98.7Very high10 Ų1040.6 Ų40.66%0.06123%0.231CC..THydrogen-bonded Turntrans-86.1-11.6179.766.90000113.6L106 G112 Y267 S412L106-T414 HydrophobicContact CB-CG2 4.48Å; L106-T414 HydrophobicContact CD2-CG2 3.82Å; G112-T414 WeakPolarHBondContact CA-OG1 3.24Å; Y267-T414 HydrophobicContact CD1-CG2 4.12Å; Y267-T414 HydrophobicContact CE1-CG2 4.38Å; S412-T414 PolarHBondContact O-N 3.46Å; S412-T414 PolarHBondContact OG-OG1 3.01Å
415V98.6Very high98.7Very high13 Ų1338.1 Ų38.18%0.07922%0.22CC..  trans-109.6126.4-173.7-176.30000110V105 P113 I409 S412 V420 A421V105-V415 HydrophobicContact CG1-CG2 4.08Å; P113-V415 HydrophobicContact CG-CG2 3.65Å; I409-V415 HydrophobicContact CG2-CG1 4.42Å; I409-V415 HydrophobicContact CG2-CG2 3.98Å; I409-V415 WeakPolarHBondContact O-CB 3.43Å; I409-V415 VanDerWaalsContact O-CG2 3.29Å; I409-V415 WeakPolarHBondContact O-CG2 3.05Å; S412-V415 PolarHBondContact O-N 3.19Å; V415-V420 HydrophobicContact CG1-CG1 4.39Å; V415-A421 HydrophobicContact CG1-CB 3.83Å
416P97.9Very high98.7Very high101 Ų10141.1 Ų41.166%0.65624%0.236SC*.  trans-80.6-21.1-168.829.7-36.5000114.8V105 V420V105-P416 HydrophobicContact CG2-CG 4.42Å; P416-V420 HydrophobicContact CG-CB 4.26Å; P416-V420 HydrophobicContact CG-CG1 4.25Å; P416-V420 HydrophobicContact CG-CG2 4.17Å
417S98.3Very high98.7Very high49 Ų4940.8 Ų40.834%0.34324%0.24SC..  trans-161.5160.1-179.169.40000112.8S419 V420 A421S417-S419 VanDerWaalsContact C-N 3.26Å; S417-S419 PolarHBondContact O-N 3.38Å; S417-V420 PolarHBondContact O-N 3.06Å; S417-V420 WeakPolarHBondContact OG-CG2 3.21Å; S417-V420 PolarHBondContact OG-N 3.41Å; S417-A421 WeakPolarHBondContact O-CB 3.37Å; S417-A421 PolarHBondContact O-N 2.83Å
418A98.6Very high98.6Very high41 Ų4137.3 Ų37.334%0.33922%0.223SC..Hα-helixtrans-61-32.5174.500000113.1W406 T410 A421 K422W406-A418 HydrophobicContact CZ2-CB 4.21Å; W406-A418 PolarHBondContact NE1-O 3.12Å; T410-A418 HydrophobicContact CG2-CB 3.72Å; A418-A421 WeakPolarHBondContact O-CB 3.32Å; A418-A421 PolarHBondContact O-N 3.24Å; A418-K422 WeakPolarHBondContact O-CB 3.42Å; A418-K422 PolarHBondContact O-N 3.5Å
419S98.7Very high98.6Very high97 Ų9739.9 Ų39.968%0.67824%0.237SC*.Hα-helixtrans-66.8-43.7177.5-56.30000111.7S417 K422 A423S417-S419 VanDerWaalsContact C-N 3.26Å; S417-S419 PolarHBondContact O-N 3.38Å; S419-K422 PolarHBondContact O-N 3.16Å; S419-A423 PolarHBondContact O-N 2.86Å; S419-A423 VanDerWaalsContact O-N 3.15Å
420V98.7Very high98.6Very high36 Ų3643.4 Ų43.422%0.21827%0.266CS..Hα-helixtrans-67-41.6174.5174.50000110.5H103 V105 V415 P416 S417 K422 A423 I424H103-V420 HydrophobicContact CB-CG1 4.33Å; V105-V420 HydrophobicContact CG2-CG1 3.72Å; V415-V420 HydrophobicContact CG1-CG1 4.39Å; P416-V420 HydrophobicContact CG-CB 4.26Å; P416-V420 HydrophobicContact CG-CG1 4.25Å; P416-V420 HydrophobicContact CG-CG2 4.17Å; S417-V420 PolarHBondContact O-N 3.06Å; S417-V420 WeakPolarHBondContact OG-CG2 3.21Å; S417-V420 PolarHBondContact OG-N 3.41Å; V420-K422 VanDerWaalsContact C-N 3.27Å; V420-K422 PolarHBondContact O-N 3.48Å; V420-A423 PolarHBondContact O-N 3.32Å; V420-I424 HydrophobicContact CG1-CD1 3.77Å; V420-I424 HydrophobicContact CG1-CG1 4.38Å; V420-I424 WeakPolarHBondContact O-CG1 3.36Å; V420-I424 PolarHBondContact O-N 3.31Å
421A98.8Very high98.6Very high0 Ų042.7 Ų42.70%027%0.265CS..Hα-helixtrans-55.6-43.3174.500000112.2I409 T410 V415 S417 A418 L425I409-A421 HydrophobicContact CB-CB 4.13Å; I409-A421 HydrophobicContact CG2-CB 3.61Å; T410-A421 VanDerWaalsContact OG1-CB 3.29Å; T410-A421 WeakPolarHBondContact OG1-CB 3.43Å; V415-A421 HydrophobicContact CG1-CB 3.83Å; S417-A421 WeakPolarHBondContact O-CB 3.37Å; S417-A421 PolarHBondContact O-N 2.83Å; A418-A421 WeakPolarHBondContact O-CB 3.32Å; A418-A421 PolarHBondContact O-N 3.24Å; A421-L425 WeakPolarHBondContact O-CB 3.43Å; A421-L425 PolarHBondContact O-N 3.33Å
422K98.7Very high98.6Very high77 Ų7739.7 Ų39.734%0.33525%0.249SC..Hα-helixtrans-64.7-46.3178.7-162.4-171.9177.1-60.60111.7Y402 W406 A418 S419 V420 I424 L425 D426Y402-K422 WeakPolarHBondContact OH-CE 3.33Å; Y402-K422 VanDerWaalsContact OH-CG 3.3Å; Y402-K422 WeakPolarHBondContact OH-CG 3.28Å; Y402-K422 PolarHBondContact OH-NZ 2.9Å; Y402-K422 VanDerWaalsContact OH-NZ 3.12Å; W406-K422 HydrophobicContact CZ2-CB 4.09Å; W406-K422 HydrophobicContact CZ2-CD 4.26Å; W406-K422 HydrophobicContact CZ2-CG 4.34Å; A418-K422 WeakPolarHBondContact O-CB 3.42Å; A418-K422 PolarHBondContact O-N 3.5Å; S419-K422 PolarHBondContact O-N 3.16Å; V420-K422 VanDerWaalsContact C-N 3.27Å; V420-K422 PolarHBondContact O-N 3.48Å; K422-I424 VanDerWaalsContact C-N 3.35Å; K422-I424 PolarHBondContact O-N 3.05Å; K422-L425 WeakPolarHBondContact O-CB 3.44Å; K422-L425 PolarHBondContact O-N 2.98Å; K422-D426 IonicContact NZ-OD1 2.76Å; K422-D426 IonicContact NZ-OD2 3.85Å; K422-D426 PolarHBondContact NZ-OD2 3.12Å; K422-D426 VanDerWaalsContact O-CG 3.23Å; K422-D426 PolarHBondContact O-N 2.86Å
423A98.7Very high98.5Very high37 Ų3747.8 Ų47.831%0.30628%0.284SS..Hα-helixtrans-61.4-43.8179.500000111.8S419 V420 D426 D427S419-A423 PolarHBondContact O-N 2.86Å; S419-A423 VanDerWaalsContact O-N 3.15Å; V420-A423 PolarHBondContact O-N 3.32Å; A423-D426 PolarHBondContact O-N 3.41Å; A423-D427 PolarHBondContact O-N 3.1Å
424I98.8Very high98.4Very high0 Ų050.7 Ų50.70%030%0.303CS..Hα-helixtrans-63.3-44.7174.9-67.3169.1000110.8H103 V105 P113 V420 K422 D426 D427 L428H103-I424 HydrophobicContact CB-CD1 3.91Å; H103-I424 HydrophobicContact CB-CG1 3.73Å; H103-I424 VanDerWaalsContact CD2-CG1 3.5Å; H103-I424 WeakPolarHBondContact CD2-CG1 3.46Å; V105-I424 HydrophobicContact CB-CD1 3.81Å; V105-I424 HydrophobicContact CG1-CD1 3.99Å; V105-I424 HydrophobicContact CG2-CD1 3.78Å; P113-I424 HydrophobicContact CB-CG2 3.63Å; P113-I424 HydrophobicContact CG-CD1 4.26Å; P113-I424 HydrophobicContact CG-CG2 4.18Å; V420-I424 HydrophobicContact CG1-CD1 3.77Å; V420-I424 HydrophobicContact CG1-CG1 4.38Å; V420-I424 WeakPolarHBondContact O-CG1 3.36Å; V420-I424 PolarHBondContact O-N 3.31Å; K422-I424 VanDerWaalsContact C-N 3.35Å; K422-I424 PolarHBondContact O-N 3.05Å; I424-D426 PolarHBondContact O-N 3.31Å; I424-D427 PolarHBondContact O-N 3.01Å; I424-L428 HydrophobicContact CG2-CD1 3.59Å; I424-L428 HydrophobicContact CG2-CG 4.09Å; I424-L428 WeakPolarHBondContact O-CB 3.32Å; I424-L428 VanDerWaalsContact O-CG 3.22Å; I424-L428 WeakPolarHBondContact O-CG 3.45Å; I424-L428 PolarHBondContact O-N 2.99Å
425L98.8Very high98.4Very high0 Ų055.1 Ų55.10%032%0.32CS..Hα-helixtrans-58.1-47.4178.2175.556.5000112Y402 L405 W406 I409 A421 K422 D427 L428 I429 W436Y402-L425 HydrophobicContact CD1-CD2 4.41Å; Y402-L425 HydrophobicContact CD2-CD2 4.02Å; Y402-L425 HydrophobicContact CE1-CD2 4.04Å; Y402-L425 HydrophobicContact CE2-CD2 3.63Å; Y402-L425 HydrophobicContact CE2-CG 3.95Å; Y402-L425 HydrophobicContact CG-CD2 4.39Å; L405-L425 HydrophobicContact CB-CD1 4.26Å; L405-L425 HydrophobicContact CD2-CD1 3.58Å; L405-L425 HydrophobicContact CG-CD1 3.83Å; W406-L425 HydrophobicContact CB-CD2 3.62Å; W406-L425 HydrophobicContact CG-CD2 4.33Å; I409-L425 HydrophobicContact CD1-CB 3.76Å; I409-L425 HydrophobicContact CD1-CD1 3.85Å; I409-L425 HydrophobicContact CD1-CG 4.27Å; A421-L425 WeakPolarHBondContact O-CB 3.43Å; A421-L425 PolarHBondContact O-N 3.33Å; K422-L425 WeakPolarHBondContact O-CB 3.44Å; K422-L425 PolarHBondContact O-N 2.98Å; L425-D427 VanDerWaalsContact C-N 3.33Å; L425-D427 PolarHBondContact O-N 3.22Å; L425-L428 PolarHBondContact O-N 3.38Å; L425-I429 HydrophobicContact CD1-CD1 3.8Å; L425-I429 HydrophobicContact CD1-CG1 3.92Å; L425-I429 HydrophobicContact CG-CD1 3.88Å; L425-I429 HydrophobicContact CG-CG1 4.41Å; L425-I429 WeakPolarHBondContact O-CG1 3.36Å; L425-I429 PolarHBondContact O-N 2.98Å; L425-W436 HydrophobicContact CD1-CZ3 4.23Å
426D98.6Very high98.3Very high63 Ų6355.6 Ų55.634%0.33732%0.32SS..Hα-helixtrans-61.8-41.9-178.1-66.4-19.9000111.2Y402 K422 A423 I424 A430Y402-D426 WeakPolarHBondContact CE2-OD1 3.49Å; Y402-D426 PolarHBondContact OH-OD1 3.07Å; K422-D426 IonicContact NZ-OD1 2.76Å; K422-D426 IonicContact NZ-OD2 3.85Å; K422-D426 PolarHBondContact NZ-OD2 3.12Å; K422-D426 VanDerWaalsContact O-CG 3.23Å; K422-D426 PolarHBondContact O-N 2.86Å; A423-D426 PolarHBondContact O-N 3.41Å; I424-D426 PolarHBondContact O-N 3.31Å; D426-A430 PolarHBondContact O-N 3.18Å
427D98.6Very high98.3Very high61 Ų6152 Ų5233%0.32630%0.297SS..Hα-helixtrans-64.8-42.7174.1-77.4-9.8000112.3I99 H103 A423 I424 L425 A430 A431I99-D427 HydrophobicContact CG2-CB 3.63Å; H103-D427 IonicContact CD2-OD2 3.6Å; H103-D427 IonicContact CE1-OD2 2.9Å; H103-D427 IonicContact NE2-OD2 3.38Å; H103-D427 PolarHBondContact NE2-OD2 3.27Å; A423-D427 PolarHBondContact O-N 3.1Å; I424-D427 PolarHBondContact O-N 3.01Å; L425-D427 VanDerWaalsContact C-N 3.33Å; L425-D427 PolarHBondContact O-N 3.22Å; D427-A430 PolarHBondContact O-N 3.07Å; D427-A431 PolarHBondContact O-N 3.45Å
428L98.7Very high98.2Very high0 Ų056.3 Ų56.30%031%0.311CS..Hα-helixtrans-66.5-39.2179.7-71.6171.2000111.8I99 P113 A117 I424 L425 A430 A431 N432 W436I99-L428 HydrophobicContact CB-CD2 4.21Å; I99-L428 HydrophobicContact CD1-CD2 3.95Å; I99-L428 HydrophobicContact CG2-CD2 4.07Å; I99-L428 HydrophobicContact CG2-CG 4.17Å; P113-L428 HydrophobicContact CB-CD1 4.23Å; A117-L428 HydrophobicContact CB-CD1 4.09Å; A117-L428 HydrophobicContact CB-CD2 3.82Å; A117-L428 HydrophobicContact CB-CG 4.46Å; I424-L428 HydrophobicContact CG2-CD1 3.59Å; I424-L428 HydrophobicContact CG2-CG 4.09Å; I424-L428 WeakPolarHBondContact O-CB 3.32Å; I424-L428 VanDerWaalsContact O-CG 3.22Å; I424-L428 WeakPolarHBondContact O-CG 3.45Å; I424-L428 PolarHBondContact O-N 2.99Å; L425-L428 PolarHBondContact O-N 3.38Å; L428-A430 VanDerWaalsContact C-N 3.31Å; L428-A430 PolarHBondContact O-N 3.24Å; L428-A431 PolarHBondContact O-N 2.94Å; L428-N432 VanDerWaalsContact O-CB 3.26Å; L428-N432 WeakPolarHBondContact O-CB 3.27Å; L428-N432 PolarHBondContact O-N 3.48Å; L428-N432 PolarHBondContact O-ND2 3.21Å; L428-W436 HydrophobicContact CB-CH2 3.61Å; L428-W436 HydrophobicContact CB-CZ2 4.22Å; L428-W436 HydrophobicContact CB-CZ3 4.39Å
429I98.5Very high98.2Very high54 Ų5455.8 Ų55.828%0.27730%0.303SS..Hα-helixtrans-58.5-46.6174.3-72.8169000110Y402 L425 A431 N432 K433 W436 L439Y402-I429 HydrophobicContact CD2-CD1 3.53Å; Y402-I429 HydrophobicContact CE2-CD1 3.57Å; L425-I429 HydrophobicContact CD1-CD1 3.8Å; L425-I429 HydrophobicContact CD1-CG1 3.92Å; L425-I429 HydrophobicContact CG-CD1 3.88Å; L425-I429 HydrophobicContact CG-CG1 4.41Å; L425-I429 WeakPolarHBondContact O-CG1 3.36Å; L425-I429 PolarHBondContact O-N 2.98Å; I429-A431 PolarHBondContact O-N 3.5Å; I429-N432 PolarHBondContact O-N 3.31Å; I429-K433 PolarHBondContact O-N 2.79Å; I429-W436 HydrophobicContact CG1-CE3 4.12Å; I429-W436 HydrophobicContact CG1-CZ3 3.71Å; I429-L439 HydrophobicContact CD1-CD1 4.21Å; I429-L439 HydrophobicContact CG1-CD1 4.28Å
430A98.3Very high98Very high74 Ų7458.8 Ų58.861%0.61231%0.306SS*.Hα-helixtrans-61.8-43.7178.700000112D426 D427 L428 N432D426-A430 PolarHBondContact O-N 3.18Å; D427-A430 PolarHBondContact O-N 3.07Å; L428-A430 VanDerWaalsContact C-N 3.31Å; L428-A430 PolarHBondContact O-N 3.24Å; A430-N432 VanDerWaalsContact C-N 3.33Å; A430-N432 PolarHBondContact O-N 3.29Å
431A98.4Very high98Very high33 Ų3359.9 Ų59.927%0.27331%0.31SS..Hα-helixtrans-69-28.3178.700000113.5M92 I99 D427 L428 I429M92-A431 WeakPolarHBondContact CE-O 3.27Å; I99-A431 HydrophobicContact CD1-CB 3.63Å; D427-A431 PolarHBondContact O-N 3.45Å; L428-A431 PolarHBondContact O-N 2.94Å; I429-A431 PolarHBondContact O-N 3.5Å
432N98.6Very high97.9Very high0 Ų063.1 Ų63.10%033%0.327CS..THydrogen-bonded Turntrans-103.614.6-174.4-72.3-92.9000114.1M92 R121 L428 I429 A430 D434 Y435 W436M92-N432 HydrophobicContact CE-CB 4.37Å; M92-N432 VanDerWaalsContact CE-CG 3.47Å; M92-N432 WeakPolarHBondContact CE-OD1 3.31Å; R121-N432 WeakPolarHBondContact CD-OD1 3.12Å; R121-N432 WeakPolarHBondContact CG-OD1 3.47Å; R121-N432 PolarHBondContact NH1-OD1 3.11Å; L428-N432 VanDerWaalsContact O-CB 3.26Å; L428-N432 WeakPolarHBondContact O-CB 3.27Å; L428-N432 PolarHBondContact O-N 3.48Å; L428-N432 PolarHBondContact O-ND2 3.21Å; I429-N432 PolarHBondContact O-N 3.31Å; A430-N432 VanDerWaalsContact C-N 3.33Å; A430-N432 PolarHBondContact O-N 3.29Å; N432-D434 PolarHBondContact O-N 2.7Å; N432-Y435 PolarHBondContact O-N 3.24Å; N432-W436 HydrophobicContact CB-CB 4.42Å; N432-W436 HydrophobicContact CB-CD2 3.55Å; N432-W436 HydrophobicContact CB-CE3 4.27Å; N432-W436 HydrophobicContact CB-CG 3.62Å; N432-W436 HydrophobicContact CB-CZ2 3.92Å; N432-W436 VanDerWaalsContact CG-NE1 3.31Å; N432-W436 PolarHBondContact O-N 3.3Å; N432-W436 PolarHBondContact OD1-NE1 3.29Å; N432-W436 VanDerWaalsContact OD1-NE1 3.13Å
433K97.3Very high97.9Very high173 Ų17362.3 Ų62.375%0.75233%0.326SS*.THydrogen-bonded Turntrans-50.9-34.5-175-172.7-178.4177.8-175.60114.4I429I429-K433 PolarHBondContact O-N 2.79Å
434D96.6Very high97.8Very high146 Ų14663.8 Ų63.878%0.78133%0.327SS*.THydrogen-bonded Turntrans-87.5-5.5-177.9-59.3-33.1000113.8N432N432-D434 PolarHBondContact O-N 2.7Å
435Y97.4Very high97.8Very high102 Ų10267.8 Ų67.840%0.435%0.348SS..THydrogen-bonded Turntrans-124.5-32.1-171.1-58.8-78.1000114.7V87 M92 R121 N432V87-Y435 HydrophobicContact CG1-CD1 3.82Å; V87-Y435 HydrophobicContact CG1-CE1 4.46Å; M92-Y435 HydrophobicContact CE-CD2 4.3Å; M92-Y435 HydrophobicContact CE-CE2 4.47Å; M92-Y435 HydrophobicContact CG-CD2 4.14Å; M92-Y435 HydrophobicContact CG-CE2 3.63Å; M92-Y435 HydrophobicContact SD-CD2 4.2Å; M92-Y435 HydrophobicContact SD-CE2 3.78Å; R121-Y435 HydrophobicContact CG-CG 4.33Å; N432-Y435 PolarHBondContact O-N 3.24Å
436W98.2Very high97.7Very high23 Ų2372.3 Ų72.39%0.08737%0.371CS..SBendtrans-85154179.9-71.85.1000111.6A117 M120 L405 L425 L428 I429 N432 L439A117-W436 VanDerWaalsContact CA-CZ2 3.48Å; A117-W436 HydrophobicContact CB-CH2 4.39Å; A117-W436 HydrophobicContact CB-CZ2 3.65Å; A117-W436 PolarHBondContact O-NE1 3.01Å; A117-W436 VanDerWaalsContact O-NE1 3.12Å; M120-W436 HydrophobicContact CB-CD2 3.89Å; M120-W436 HydrophobicContact CB-CG 4.01Å; M120-W436 HydrophobicContact CB-CZ2 4.1Å; M120-W436 VanDerWaalsContact CB-NE1 3.26Å; M120-W436 HydrophobicContact CG-CD2 4.38Å; M120-W436 HydrophobicContact CG-CZ2 4.4Å; L405-W436 HydrophobicContact CD2-CE3 4.17Å; L405-W436 HydrophobicContact CD2-CH2 4.04Å; L405-W436 HydrophobicContact CD2-CZ3 3.55Å; L425-W436 HydrophobicContact CD1-CZ3 4.23Å; L428-W436 HydrophobicContact CB-CH2 3.61Å; L428-W436 HydrophobicContact CB-CZ2 4.22Å; L428-W436 HydrophobicContact CB-CZ3 4.39Å; I429-W436 HydrophobicContact CG1-CE3 4.12Å; I429-W436 HydrophobicContact CG1-CZ3 3.71Å; N432-W436 HydrophobicContact CB-CB 4.42Å; N432-W436 HydrophobicContact CB-CD2 3.55Å; N432-W436 HydrophobicContact CB-CE3 4.27Å; N432-W436 HydrophobicContact CB-CG 3.62Å; N432-W436 HydrophobicContact CB-CZ2 3.92Å; N432-W436 VanDerWaalsContact CG-NE1 3.31Å; N432-W436 PolarHBondContact O-N 3.3Å; N432-W436 PolarHBondContact OD1-NE1 3.29Å; N432-W436 VanDerWaalsContact OD1-NE1 3.13Å; W436-L439 HydrophobicContact CE3-CD1 4.18Å; W436-L439 HydrophobicContact CZ3-CD1 4.41Å
437P96.7Very high97.6Very high27 Ų2772.9 Ų72.918%0.17537%0.373CS..PPolyproline II helixtrans-59.3145.7160.528.5-34.1000109.6M120 W397 R400 L439M120-P437 HydrophobicContact CE-CG 4Å; W397-P437 HydrophobicContact CG-CG 4.25Å; R400-P437 HydrophobicContact CG-CB 4.32Å; P437-L439 HydrophobicContact CG-CD2 4.37Å; P437-L439 PolarHBondContact O-N 3Å
438E96.9Very high97.6Very high138 Ų13873.8 Ų73.865%0.64538%0.377SS*.PPolyproline II helixtrans-58.4130.6170-172.6178.5-179.100109.3R400 H440R400-E438 VanDerWaalsContact CB-O 3.31Å; R400-E438 WeakPolarHBondContact CB-O 3.35Å; E438-H440 IonicContact OE1-CE1 2.71Å
439L97.9Very high97.5Very high31 Ų3180 Ų8016%0.16241%0.408CS..  trans-104139.5-179-56.3-178.9000110.4M120 R400 L405 I429 W436 P437M120-L439 HydrophobicContact CE-CD2 4.04Å; R400-L439 CarbonylContact O-C 3.56Å; R400-L439 WeakPolarHBondContact O-CA 3.42Å; L405-L439 HydrophobicContact CD2-CD1 3.63Å; I429-L439 HydrophobicContact CD1-CD1 4.21Å; I429-L439 HydrophobicContact CG1-CD1 4.28Å; W436-L439 HydrophobicContact CE3-CD1 4.18Å; W436-L439 HydrophobicContact CZ3-CD1 4.41Å; P437-L439 HydrophobicContact CG-CD2 4.37Å; P437-L439 PolarHBondContact O-N 3Å
440H95Very high97.4Very high159 Ų15982.4 Ų82.474%0.73642%0.42SS*.  trans-115.60-178.6-55.1-50.9000112.7R400 Y402 E438R400-H440 PolarHBondContact O-N 2.95Å; Y402-H440 WeakPolarHBondContact CB-O 3.47Å; Y402-H440 PolarHBondContact N-O 2.75Å; E438-H440 IonicContact OE1-CE1 2.71Å

Retrieved 440 of 440 residues in 2703.6 ms (Link to these results)

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