A0A077ZDI1_TRITR Loading...

PH domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZDI1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 426 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
1M43.3Very low64.9Low142 Ų14295.4 Ų95.470%0.746%0.457SS*.  0125.90-82.4-167.8-106.100108.3F58M1-F58 HydrophobicContact CE-CD2 4.37Å; M1-F58 HydrophobicContact CE-CE2 3.69Å; M1-F58 HydrophobicContact CE-CZ 4.28Å; M1-F58 HydrophobicContact CG-CE1 4.38Å; M1-F58 HydrophobicContact CG-CE2 4Å; M1-F58 HydrophobicContact CG-CZ 3.59Å; M1-F58 HydrophobicContact SD-CE2 3.49Å; M1-F58 WeakPolarHBondContact SD-CE2 3.5Å; M1-F58 HydrophobicContact SD-CZ 3.6Å; M1-F58 VanDerWaalsContact SD-CZ 3.6Å
2S50.8Low66.8Low53 Ų5397.2 Ų97.237%0.37147%0.471SS..  trans-59.2140.2168.8-58.50000109.5E4 Y5S2-E4 WeakPolarHBondContact CB-OE1 3.47Å; S2-E4 PolarHBondContact O-N 3.29Å; S2-E4 PolarHBondContact OG-OE1 2.9Å; S2-Y5 PolarHBondContact O-N 3.33Å; S2-Y5 VanDerWaalsContact O-N 3.11Å
3E53.2Low68.8Low71 Ų7194.8 Ų94.833%0.33246%0.455SS..Hα-helixtrans-48.7-32177-84.5-83.3117.300112.2Y5 R6 R7 L343E3-Y5 PolarHBondContact O-N 2.97Å; E3-R6 PolarHBondContact O-N 3.1Å; E3-R6 VanDerWaalsContact O-N 3.11Å; E3-R6 IonicContact OE1-CZ 3.34Å; E3-R6 IonicContact OE1-NH1 3.97Å; E3-R6 PolarHBondContact OE1-NH1 3.12Å; E3-R7 IonicContact OE2-NH2 2.66Å; E3-R7 PolarHBondContact OE2-NH2 3.47Å; E3-L343 HydrophobicContact CG-CD2 4.01Å
4E55.6Low70.6Confident89 Ų8992.7 Ų92.742%0.41646%0.455SS..Hα-helixtrans-52.6-26.3178.971.5-167.2160.300114.3S2 K77S2-E4 WeakPolarHBondContact CB-OE1 3.47Å; S2-E4 PolarHBondContact O-N 3.29Å; S2-E4 PolarHBondContact OG-OE1 2.9Å; E4-K77 IonicContact OE1-NZ 3.93Å; E4-K77 WeakPolarHBondContact OE2-CE 3.48Å; E4-K77 IonicContact OE2-NZ 2.67Å; E4-K77 PolarHBondContact OE2-NZ 2.75Å
5Y62.6Low72.3Confident54 Ų5492.6 Ų92.621%0.21246%0.457CS..Hα-helixtrans-99.5-18.1-177.5-56.1-50.5000114.1S2 E3 R7 L75S2-Y5 PolarHBondContact O-N 3.33Å; S2-Y5 VanDerWaalsContact O-N 3.11Å; E3-Y5 PolarHBondContact O-N 2.97Å; Y5-R7 VanDerWaalsContact C-N 3.25Å; Y5-R7 PolarHBondContact O-N 3.48Å; Y5-L75 HydrophobicContact CD1-CD2 2.99Å; Y5-L75 HydrophobicContact CD1-CG 3.7Å; Y5-L75 HydrophobicContact CD2-CD2 4.48Å; Y5-L75 HydrophobicContact CE1-CD2 3.54Å; Y5-L75 HydrophobicContact CE1-CG 3.68Å; Y5-L75 HydrophobicContact CG-CD2 3.5Å; Y5-L75 HydrophobicContact CG-CG 4.41Å
6R56.7Low73.8Confident148 Ų14890.6 Ų90.656%0.55845%0.447SS*.Hα-helixtrans-72-21.4177.8-77.9-168.4-166.2119.5-3.7112.8E3E3-R6 PolarHBondContact O-N 3.1Å; E3-R6 VanDerWaalsContact O-N 3.11Å; E3-R6 IonicContact OE1-CZ 3.34Å; E3-R6 IonicContact OE1-NH1 3.97Å; E3-R6 PolarHBondContact OE1-NH1 3.12Å
7R63.3Low75.2Confident203 Ų20388.9 Ų88.977%0.76644%0.436SS*.THydrogen-bonded Turntrans-11621.2-179.9-57-174.4-164.7165.19.4112.6E3 Y5 N9E3-R7 IonicContact OE2-NH2 2.66Å; E3-R7 PolarHBondContact OE2-NH2 3.47Å; Y5-R7 VanDerWaalsContact C-N 3.25Å; Y5-R7 PolarHBondContact O-N 3.48Å; R7-N9 PolarHBondContact O-N 3.46Å; R7-N9 VanDerWaalsContact O-N 3.1Å
8L75.3Confident76.4Confident39 Ų3989.5 Ų89.520%0.20444%0.437CS..  trans-65.6112.7178.8179.972.6000109.6V10 Y13 L41 L43 L75L8-V10 HydrophobicContact CD2-CG2 4.39Å; L8-Y13 HydrophobicContact CD1-CD2 4.3Å; L8-Y13 HydrophobicContact CD1-CE2 3.37Å; L8-Y13 HydrophobicContact CG-CE2 4.49Å; L8-L41 HydrophobicContact CD1-CD1 3.42Å; L8-L41 VanDerWaalsContact CD1-CD1 3.42Å; L8-L41 HydrophobicContact CD2-CD1 4.13Å; L8-L41 HydrophobicContact CG-CD1 4.42Å; L8-L43 HydrophobicContact CD2-CD2 4.15Å; L8-L75 HydrophobicContact CD2-CD1 3.81Å; L8-L75 HydrophobicContact CD2-CD2 3.84Å
9N82.4Confident77.5Confident73 Ų7385.6 Ų85.639%0.3942%0.423SS..  trans-97.3110.9168.6-173.512.2000109.2R7 T11 D12 Y13R7-N9 PolarHBondContact O-N 3.46Å; R7-N9 VanDerWaalsContact O-N 3.1Å; N9-T11 PolarHBondContact ND2-OG1 2.9Å; N9-T11 PolarHBondContact O-N 2.81Å; N9-T11 PolarHBondContact OD1-N 2.86Å; N9-T11 PolarHBondContact OD1-OG1 3.27Å; N9-D12 PolarHBondContact ND2-OD1 3.01Å; N9-D12 VanDerWaalsContact ND2-OD1 3.14Å; N9-D12 PolarHBondContact O-N 2.95Å; N9-Y13 WeakPolarHBondContact O-CD2 3.29Å
10V83.3Confident78.5Confident65 Ų6585 Ų8539%0.39442%0.421SS..G310 helixtrans-65.5-22.6-176.2-178.90000111.7L8 D12 Y13 L38 L43L8-V10 HydrophobicContact CD2-CG2 4.39Å; V10-D12 PolarHBondContact O-N 2.96Å; V10-Y13 PolarHBondContact O-N 2.79Å; V10-L38 HydrophobicContact CG1-CD1 3.92Å; V10-L38 HydrophobicContact CG1-CD2 4.24Å; V10-L43 HydrophobicContact CG1-CD1 4.28Å; V10-L43 HydrophobicContact CG2-CD1 4.08Å
11T87Confident79.4Confident112 Ų11281 Ų8169%0.68740%0.402SS*.G310 helixtrans-69-14.9178.864.70000113.8N9 Y13N9-T11 PolarHBondContact ND2-OG1 2.9Å; N9-T11 PolarHBondContact O-N 2.81Å; N9-T11 PolarHBondContact OD1-N 2.86Å; N9-T11 PolarHBondContact OD1-OG1 3.27Å; T11-Y13 PolarHBondContact O-N 2.9Å
12D88.4Confident81.8Confident117 Ų11778.3 Ų78.363%0.62639%0.386SS*.G310 helixtrans-81.5-4.7-179.8-58.1-9.4000111.7N9 V10N9-D12 PolarHBondContact ND2-OD1 3.01Å; N9-D12 VanDerWaalsContact ND2-OD1 3.14Å; N9-D12 PolarHBondContact O-N 2.95Å; V10-D12 PolarHBondContact O-N 2.96Å
13Y91.7Very high83.9Confident66 Ų6676 Ų7626%0.25937%0.369SS..SBendtrans-119146.2-176-60.3-86.3000111.2L8 N9 V10 T11 L38 D39 E40 L41L8-Y13 HydrophobicContact CD1-CD2 4.3Å; L8-Y13 HydrophobicContact CD1-CE2 3.37Å; L8-Y13 HydrophobicContact CG-CE2 4.49Å; N9-Y13 WeakPolarHBondContact O-CD2 3.29Å; V10-Y13 PolarHBondContact O-N 2.79Å; T11-Y13 PolarHBondContact O-N 2.9Å; Y13-L38 HydrophobicContact CG-CD1 4.32Å; Y13-D39 WeakPolarHBondContact CB-OD1 3.49Å; Y13-D39 VanDerWaalsContact CD1-OD1 3.23Å; Y13-D39 WeakPolarHBondContact CD1-OD1 3.03Å; Y13-E40 HydrophobicContact CD1-CB 4.08Å; Y13-E40 HydrophobicContact CD1-CG 4.49Å; Y13-E40 HydrophobicContact CE1-CB 3.94Å; Y13-E40 HydrophobicContact CE1-CG 4.42Å; Y13-L41 HydrophobicContact CD1-CD1 4.22Å; Y13-L41 HydrophobicContact CD1-CG 4.5Å; Y13-L41 HydrophobicContact CD2-CD1 4.25Å; Y13-L41 HydrophobicContact CE1-CD1 3.74Å; Y13-L41 HydrophobicContact CE1-CG 4.12Å; Y13-L41 HydrophobicContact CE2-CD1 3.79Å; Y13-L41 HydrophobicContact CG-CD1 4.45Å; Y13-L41 VanDerWaalsContact CZ-CD1 3.49Å
14S94.6Very high85.8Confident66 Ų6676 Ų7646%0.46237%0.366SS..  trans-81.5131.4175.9-1730000111.8I16 L38 D39S14-I16 PolarHBondContact O-N 3.45Å; S14-L38 CarbonylContact O-C 3.58Å; S14-L38 WeakPolarHBondContact O-CA 3.44Å; S14-D39 PolarHBondContact N-OD1 2.93Å; S14-D39 PolarHBondContact N-OD2 2.97Å; S14-D39 PolarHBondContact O-N 3.39Å
15L96.7Very high87.2Confident91 Ų9172.3 Ų72.348%0.47635%0.349SS..EExtended strand (participates in β ladder)trans-74.5119.1173178.862.9000110.5E18 V36 L38L15-E18 HydrophobicContact CD1-CB 4.34Å; L15-V36 HydrophobicContact CD1-CG1 3.44Å; L15-V36 VanDerWaalsContact CD1-CG1 3.44Å; L15-L38 HydrophobicContact CB-CD2 4.49Å; L15-L38 HydrophobicContact CD1-CD2 4.19Å
16I96.5Very high88Confident60 Ų6071.5 Ų71.531%0.30836%0.357SS..EExtended strand (participates in β ladder)trans-99-45.3-179.9-55.4-58.5000111.1S14 L37 D39S14-I16 PolarHBondContact O-N 3.45Å; I16-L37 HydrophobicContact CB-CD2 4.4Å; I16-L37 HydrophobicContact CB-CG 4.2Å; I16-L37 WeakPolarHBondContact CB-O 3.28Å; I16-L37 HydrophobicContact CG2-CD2 4.21Å; I16-L37 PolarHBondContact N-O 2.94Å; I16-D39 HydrophobicContact CD1-CB 4.44Å; I16-D39 HydrophobicContact CG1-CB 4.46Å
17Y97.6Very high88.9Confident63 Ų6374.4 Ų74.425%0.24737%0.374CS..EExtended strand (participates in β ladder)trans-158.9147.3-177.7-165.9-115.5000110.9L37 W119 R122Y17-L37 PolarHBondContact N-O 3.31Å; Y17-L37 VanDerWaalsContact N-O 3.13Å; Y17-L37 WeakPolarHBondContact O-CA 3.02Å; Y17-L37 WeakPolarHBondContact O-CB 3.38Å; Y17-L37 PolarHBondContact O-N 2.95Å; Y17-W119 AromaticContact CD1-CD2 3.73Å; Y17-W119 HydrophobicContact CD1-CD2 3.73Å; Y17-W119 AromaticContact CD1-CE2 3.81Å; Y17-W119 AromaticContact CD1-CE3 3.66Å; Y17-W119 HydrophobicContact CD1-CE3 3.66Å; Y17-W119 HydrophobicContact CD1-CG 4.46Å; Y17-W119 AromaticContact CD1-CH2 3.76Å; Y17-W119 HydrophobicContact CD1-CH2 3.76Å; Y17-W119 AromaticContact CD1-CZ2 3.85Å; Y17-W119 HydrophobicContact CD1-CZ2 3.85Å; Y17-W119 AromaticContact CD1-CZ3 3.68Å; Y17-W119 HydrophobicContact CD1-CZ3 3.68Å; Y17-W119 AromaticContact CE1-CD2 3.57Å; Y17-W119 HydrophobicContact CE1-CD2 3.57Å; Y17-W119 AromaticContact CE1-CE2 3.48Å; Y17-W119 VanDerWaalsContact CE1-CE2 3.48Å; Y17-W119 HydrophobicContact CE1-CE3 4.02Å; Y17-W119 AromaticContact CE1-CG 3.93Å; Y17-W119 HydrophobicContact CE1-CG 3.93Å; Y17-W119 HydrophobicContact CE1-CH2 4.25Å; Y17-W119 AromaticContact CE1-CZ2 3.85Å; Y17-W119 HydrophobicContact CE1-CZ2 3.85Å; Y17-W119 HydrophobicContact CE1-CZ3 4.34Å; Y17-W119 AromaticContact CE1-NE1 3.77Å; Y17-R122 HydrophobicContact CD2-CG 4.39Å; Y17-R122 HydrophobicContact CG-CG 4.19Å
18E96.9Very high89.7Confident99 Ų9972.4 Ų72.446%0.46338%0.378SS..EExtended strand (participates in β ladder)trans-143.3161.6173.364.1179.5173.300110.8L15 H34 A35 V36L15-E18 HydrophobicContact CD1-CB 4.34Å; E18-H34 IonicContact OE2-NE2 3.46Å; E18-H34 PolarHBondContact OE2-NE2 3.1Å; E18-A35 VanDerWaalsContact CA-O 3.28Å; E18-A35 WeakPolarHBondContact CA-O 3.37Å; E18-V36 HydrophobicContact CB-CG2 4.46Å
19G96.6Very high90.3Very high16 Ų1675.7 Ų75.717%0.16539%0.391CS..EExtended strand (participates in β ladder)trans167.6175.1178.500000114A35G19-A35 PolarHBondContact N-O 3.06Å; G19-A35 PolarHBondContact O-N 3.36Å
20N96.6Very high90.8Very high72 Ų7276.1 Ų76.139%0.38540%0.396SS..EExtended strand (participates in β ladder)trans-83.5135.3-179.9-59.4-39.5000110.5L33 H34 K47N20-L33 WeakPolarHBondContact CA-O 3.11Å; N20-H34 PolarHBondContact OD1-ND1 3.4Å; N20-K47 WeakPolarHBondContact OD1-CE 3.37Å; N20-K47 PolarHBondContact OD1-NZ 3.1Å
21L97.2Very high91.1Very high3 Ų373.8 Ų73.82%0.01638%0.382CS..EExtended strand (participates in β ladder)trans-135.6163.4173.3-70.6-179.7000109.6L33 A35 F93 L108 A109 A110 W119L21-L33 PolarHBondContact N-O 2.84Å; L21-L33 WeakPolarHBondContact O-CA 3.33Å; L21-L33 PolarHBondContact O-N 2.68Å; L21-L33 VanDerWaalsContact O-O 3.12Å; L21-A35 HydrophobicContact CB-CB 4.5Å; L21-A35 HydrophobicContact CD1-CB 3.62Å; L21-A35 HydrophobicContact CG-CB 4.13Å; L21-F93 HydrophobicContact CD1-CE1 4.42Å; L21-F93 HydrophobicContact CD1-CZ 3.9Å; L21-F93 HydrophobicContact CD2-CE1 4.04Å; L21-F93 HydrophobicContact CD2-CZ 4.32Å; L21-L108 HydrophobicContact CD1-CB 4.49Å; L21-L108 HydrophobicContact CD1-CD1 4Å; L21-A109 CarbonylContact C-O 3.6Å; L21-A109 WeakPolarHBondContact CA-O 3.27Å; L21-A110 HydrophobicContact CD2-CB 3.92Å; L21-W119 HydrophobicContact CD1-CD2 4.17Å; L21-W119 HydrophobicContact CD1-CZ2 4.14Å; L21-W119 HydrophobicContact CD2-CG 4.31Å; L21-W119 HydrophobicContact CG-CZ2 4.22Å
22F95.5Very high91.4Very high84 Ų8471.5 Ų71.537%0.36837%0.369SS..EExtended strand (participates in β ladder)trans-119.4119.9174.9-60.8-83.7000108.7V30 P32 L108 A109F22-V30 HydrophobicContact CB-CG1 3.72Å; F22-V30 HydrophobicContact CD1-CG1 4.15Å; F22-V30 HydrophobicContact CG-CG1 4.37Å; F22-P32 HydrophobicContact CD1-CB 4.48Å; F22-P32 HydrophobicContact CE1-CB 4.48Å; F22-L108 CarbonylContact O-C 3.58Å; F22-L108 WeakPolarHBondContact O-CA 3.42Å; F22-A109 HydrophobicContact CB-CB 4.39Å; F22-A109 PolarHBondContact N-O 2.85Å; F22-A109 PolarHBondContact O-N 3.09Å
23W94.5Very high91.8Very high4 Ų466 Ų662%0.01534%0.34CS..EExtended strand (participates in β ladder)trans-92.9117.7176.5-176.710000110.5L25 V30 V31 L33 H59 H72 Y106 L108W23-L25 HydrophobicContact CB-CD1 4.1Å; W23-L25 HydrophobicContact CD2-CD1 3.35Å; W23-L25 HydrophobicContact CD2-CG 4.26Å; W23-L25 HydrophobicContact CE3-CD1 3.86Å; W23-L25 HydrophobicContact CG-CD1 3.45Å; W23-L25 VanDerWaalsContact CG-CD1 3.45Å; W23-L25 HydrophobicContact CG-CG 4.49Å; W23-L25 HydrophobicContact CZ2-CD1 4.2Å; W23-L25 HydrophobicContact CZ2-CD2 4.43Å; W23-L25 HydrophobicContact CZ2-CG 4.3Å; W23-L25 HydrophobicContact CZ3-CD1 4.49Å; W23-L25 PolarHBondContact O-N 3.26Å; W23-V30 CarbonylContact O-C 3.53Å; W23-V30 WeakPolarHBondContact O-CA 3.03Å; W23-V31 HydrophobicContact CB-CB 4.49Å; W23-V31 PolarHBondContact N-O 3.45Å; W23-V31 PolarHBondContact O-N 2.93Å; W23-L33 HydrophobicContact CB-CD1 3.53Å; W23-L33 HydrophobicContact CB-CG 4Å; W23-L33 HydrophobicContact CD2-CD1 4.44Å; W23-L33 HydrophobicContact CE3-CD1 4.07Å; W23-L33 HydrophobicContact CE3-CD2 4.41Å; W23-L33 HydrophobicContact CG-CD1 4.3Å; W23-H59 HydrophobicContact CH2-CB 3.89Å; W23-H59 HydrophobicContact CZ3-CB 4.05Å; W23-H59 AromaticContact CZ3-CD2 3.47Å; W23-H59 VanDerWaalsContact CZ3-CD2 3.47Å; W23-H59 WeakPolarHBondContact CZ3-CD2 3.36Å; W23-H72 HydrophobicContact CH2-CB 3.34Å; W23-H72 HydrophobicContact CZ2-CB 3.36Å; W23-H72 AromaticContact CZ2-CG 3.62Å; W23-H72 AromaticContact CZ2-ND1 3.96Å; W23-Y106 AromaticContact CE2-CD1 3.85Å; W23-Y106 HydrophobicContact CH2-CD1 4.14Å; W23-Y106 AromaticContact CH2-CE1 3.89Å; W23-Y106 HydrophobicContact CH2-CE1 3.89Å; W23-Y106 AromaticContact CZ2-CD1 3.62Å; W23-Y106 HydrophobicContact CZ2-CD1 3.62Å; W23-Y106 AromaticContact CZ2-CE1 3.72Å; W23-Y106 HydrophobicContact CZ2-CE1 3.72Å; W23-L108 HydrophobicContact CB-CD2 3.71Å; W23-L108 HydrophobicContact CG-CD2 3.86Å
24R92.2Very high91.9Very high73 Ų7364.6 Ų64.628%0.27534%0.335SS..EExtended strand (participates in β ladder)trans-86.6103.7177-63.6177.6173.3170.63.1109.4G26 V30 D89 E107R24-G26 PolarHBondContact O-N 3.41Å; R24-V30 HydrophobicContact CG-CG2 4.26Å; R24-D89 IonicContact CZ-OD2 3.7Å; R24-D89 IonicContact NH1-OD2 3.11Å; R24-D89 PolarHBondContact NH1-OD2 2.91Å; R24-D89 IonicContact NH2-OD2 2.79Å; R24-D89 PolarHBondContact NH2-OD2 3.09Å; R24-E107 HydrophobicContact CB-CB 4.15Å; R24-E107 HydrophobicContact CB-CG 3.91Å; R24-E107 WeakPolarHBondContact CD-OE1 3.33Å; R24-E107 HydrophobicContact CG-CG 4.43Å; R24-E107 PolarHBondContact N-O 3.3Å; R24-E107 IonicContact NH1-OE1 2.68Å; R24-E107 PolarHBondContact NH1-OE1 2.96Å
25L85.2Confident92Very high11 Ų1161.4 Ų61.46%0.05831%0.313CS..  trans-92.777.4173-80.692000109.6W23 K29 V31 H59 L61W23-L25 HydrophobicContact CB-CD1 4.1Å; W23-L25 HydrophobicContact CD2-CD1 3.35Å; W23-L25 HydrophobicContact CD2-CG 4.26Å; W23-L25 HydrophobicContact CE3-CD1 3.86Å; W23-L25 HydrophobicContact CG-CD1 3.45Å; W23-L25 VanDerWaalsContact CG-CD1 3.45Å; W23-L25 HydrophobicContact CG-CG 4.49Å; W23-L25 HydrophobicContact CZ2-CD1 4.2Å; W23-L25 HydrophobicContact CZ2-CD2 4.43Å; W23-L25 HydrophobicContact CZ2-CG 4.3Å; W23-L25 HydrophobicContact CZ3-CD1 4.49Å; W23-L25 PolarHBondContact O-N 3.26Å; L25-K29 HydrophobicContact CB-CB 4.29Å; L25-K29 HydrophobicContact CB-CD 4.2Å; L25-K29 HydrophobicContact CB-CG 4.32Å; L25-K29 PolarHBondContact N-O 3.12Å; L25-K29 WeakPolarHBondContact O-CB 3.49Å; L25-V31 HydrophobicContact CD1-CB 4.28Å; L25-V31 HydrophobicContact CD1-CG2 3.78Å; L25-H59 HydrophobicContact CD2-CB 3.38Å; L25-L61 HydrophobicContact CB-CD1 4.27Å
26G79.1Confident92Very high36 Ų3657.8 Ų57.837%0.37129%0.294SS..SBendtrans75.7-168.8-176.100000113.1R24 N28R24-G26 PolarHBondContact O-N 3.41Å; G26-N28 PolarHBondContact O-N 2.97Å
27K76Confident92.1Very high209 Ų20954.9 Ų54.991%0.90928%0.28SS*.THydrogen-bonded Turntrans-65.7-31.8-165.9-64.4-177.9179.2179.40114.5
28N80.8Confident92Very high162 Ų16252.1 Ų52.187%0.86627%0.269SS*.THydrogen-bonded Turntrans-120.71.9-166.3-64.52.1000114.3G26G26-N28 PolarHBondContact O-N 2.97Å
29K88.4Confident91.9Very high107 Ų10749.4 Ų49.447%0.46526%0.258SS..  trans-126119.5-175.5-173.5178.7-178.21750110.6L25L25-K29 HydrophobicContact CB-CB 4.29Å; L25-K29 HydrophobicContact CB-CD 4.2Å; L25-K29 HydrophobicContact CB-CG 4.32Å; L25-K29 PolarHBondContact N-O 3.12Å; L25-K29 WeakPolarHBondContact O-CB 3.49Å
30V91.2Very high91.7Very high82 Ų8253 Ų5350%0.49727%0.271SS..EExtended strand (participates in β ladder)trans-120.4128174.9-175.70000108.4F22 W23 R24F22-V30 HydrophobicContact CB-CG1 3.72Å; F22-V30 HydrophobicContact CD1-CG1 4.15Å; F22-V30 HydrophobicContact CG-CG1 4.37Å; W23-V30 CarbonylContact O-C 3.53Å; W23-V30 WeakPolarHBondContact O-CA 3.03Å; R24-V30 HydrophobicContact CG-CG2 4.26Å
31V91.2Very high91.6Very high16 Ų1649.9 Ų49.910%0.09725%0.254CS..EExtended strand (participates in β ladder)trans-109.2119.9179.1179.60000108.6W23 L25 L33W23-V31 HydrophobicContact CB-CB 4.49Å; W23-V31 PolarHBondContact N-O 3.45Å; W23-V31 PolarHBondContact O-N 2.93Å; L25-V31 HydrophobicContact CD1-CB 4.28Å; L25-V31 HydrophobicContact CD1-CG2 3.78Å; V31-L33 HydrophobicContact CG1-CD2 3.89Å; V31-L33 PolarHBondContact O-N 2.82Å
32P93.5Very high91.5Very high65 Ų6549.9 Ų49.942%0.42225%0.253SS..EExtended strand (participates in β ladder)trans-69.7127.7173.428.4-32.5000110F22 K47F22-P32 HydrophobicContact CD1-CB 4.48Å; F22-P32 HydrophobicContact CE1-CB 4.48Å; P32-K47 PolarHBondContact O-N 2.67Å
33L95Very high91.5Very high2 Ų246.1 Ų46.11%0.0124%0.237CC..EExtended strand (participates in β ladder)trans-119.1151.6-179.3-59.7-176.5000111.3N20 L21 W23 V31 L44 L45 L108N20-L33 WeakPolarHBondContact CA-O 3.11Å; L21-L33 PolarHBondContact N-O 2.84Å; L21-L33 WeakPolarHBondContact O-CA 3.33Å; L21-L33 PolarHBondContact O-N 2.68Å; L21-L33 VanDerWaalsContact O-O 3.12Å; W23-L33 HydrophobicContact CB-CD1 3.53Å; W23-L33 HydrophobicContact CB-CG 4Å; W23-L33 HydrophobicContact CD2-CD1 4.44Å; W23-L33 HydrophobicContact CE3-CD1 4.07Å; W23-L33 HydrophobicContact CE3-CD2 4.41Å; W23-L33 HydrophobicContact CG-CD1 4.3Å; V31-L33 HydrophobicContact CG1-CD2 3.89Å; V31-L33 PolarHBondContact O-N 2.82Å; L33-L44 HydrophobicContact CD1-CB 3.93Å; L33-L44 HydrophobicContact CD1-CD1 4.44Å; L33-L44 HydrophobicContact CD1-CD2 4.11Å; L33-L44 HydrophobicContact CD1-CG 4.38Å; L33-L45 CarbonylContact C-O 3.53Å; L33-L45 VanDerWaalsContact CA-O 3.27Å; L33-L45 WeakPolarHBondContact CA-O 3.47Å; L33-L108 HydrophobicContact CD1-CD2 4.16Å
34H95.4Very high91.5Very high35 Ų3546 Ų4616%0.16224%0.237CC..EExtended strand (participates in β ladder)trans-106.3111.2154.4-170.371.7000107.3E18 N20 L45 L54E18-H34 IonicContact OE2-NE2 3.46Å; E18-H34 PolarHBondContact OE2-NE2 3.1Å; N20-H34 PolarHBondContact OD1-ND1 3.4Å; H34-L45 PolarHBondContact N-O 3.44Å; H34-L45 VanDerWaalsContact O-CB 3.24Å; H34-L45 WeakPolarHBondContact O-CB 3.29Å; H34-L45 PolarHBondContact O-N 3.48Å; H34-L54 HydrophobicContact CB-CD1 4.23Å; H34-L54 HydrophobicContact CB-CD2 3.79Å
35A96.6Very high91.5Very high0 Ų043.7 Ų43.70%023%0.23CC..EExtended strand (participates in β ladder)trans-93.8136.4-179.700000109.7E18 G19 L21 L43 L44 W119E18-A35 VanDerWaalsContact CA-O 3.28Å; E18-A35 WeakPolarHBondContact CA-O 3.37Å; G19-A35 PolarHBondContact N-O 3.06Å; G19-A35 PolarHBondContact O-N 3.36Å; L21-A35 HydrophobicContact CB-CB 4.5Å; L21-A35 HydrophobicContact CD1-CB 3.62Å; L21-A35 HydrophobicContact CG-CB 4.13Å; A35-L43 CarbonylContact C-O 3.55Å; A35-L43 VanDerWaalsContact CA-O 3.29Å; A35-L43 WeakPolarHBondContact CA-O 3.35Å; A35-L44 HydrophobicContact CB-CD2 4.08Å; A35-W119 HydrophobicContact CB-CH2 3.59Å; A35-W119 HydrophobicContact CB-CZ2 3.88Å; A35-W119 HydrophobicContact CB-CZ3 4.31Å; A35-W119 WeakPolarHBondContact O-CH2 3.03Å
36V96.6Very high91.8Very high14 Ų1443.2 Ų43.29%0.08523%0.228CC..EExtended strand (participates in β ladder)trans-125.6110.8-179.9-175.60000107.8L15 E18 L38 L43 L45L15-V36 HydrophobicContact CD1-CG1 3.44Å; L15-V36 VanDerWaalsContact CD1-CG1 3.44Å; E18-V36 HydrophobicContact CB-CG2 4.46Å; V36-L38 HydrophobicContact CG1-CD2 3.81Å; V36-L38 HydrophobicContact CG1-CG 4.24Å; V36-L43 HydrophobicContact CB-CB 4.17Å; V36-L43 HydrophobicContact CB-CD1 4.4Å; V36-L43 PolarHBondContact N-O 3.04Å; V36-L43 PolarHBondContact O-N 3.08Å; V36-L45 HydrophobicContact CG2-CD1 3.88Å
37L97.6Very high92.2Very high0 Ų045 Ų450%023%0.225CC..EExtended strand (participates in β ladder)trans-90.4111.4173.617863.2000108.8I16 Y17 L42 L78 W119 R122 L123I16-L37 HydrophobicContact CB-CD2 4.4Å; I16-L37 HydrophobicContact CB-CG 4.2Å; I16-L37 WeakPolarHBondContact CB-O 3.28Å; I16-L37 HydrophobicContact CG2-CD2 4.21Å; I16-L37 PolarHBondContact N-O 2.94Å; Y17-L37 PolarHBondContact N-O 3.31Å; Y17-L37 VanDerWaalsContact N-O 3.13Å; Y17-L37 WeakPolarHBondContact O-CA 3.02Å; Y17-L37 WeakPolarHBondContact O-CB 3.38Å; Y17-L37 PolarHBondContact O-N 2.95Å; L37-L42 HydrophobicContact CB-CD1 4.13Å; L37-L42 HydrophobicContact CD1-CB 4.45Å; L37-L42 HydrophobicContact CD1-CD1 4.27Å; L37-L78 HydrophobicContact CD1-CD1 3.72Å; L37-L78 HydrophobicContact CD1-CD2 3.8Å; L37-L78 HydrophobicContact CD1-CG 4.38Å; L37-W119 HydrophobicContact CB-CZ3 4.04Å; L37-R122 HydrophobicContact CD2-CB 3.89Å; L37-L123 HydrophobicContact CD1-CD2 3.75Å; L37-L123 HydrophobicContact CD2-CD2 4.23Å; L37-L123 HydrophobicContact CD2-CG 4.35Å
38L95.9Very high92.4Very high4 Ų436.7 Ų36.72%0.02119%0.193CC..EExtended strand (participates in β ladder)trans-95178171.7-53170.8000109.3V10 Y13 S14 L15 V36 L41 L43 L78V10-L38 HydrophobicContact CG1-CD1 3.92Å; V10-L38 HydrophobicContact CG1-CD2 4.24Å; Y13-L38 HydrophobicContact CG-CD1 4.32Å; S14-L38 CarbonylContact O-C 3.58Å; S14-L38 WeakPolarHBondContact O-CA 3.44Å; L15-L38 HydrophobicContact CB-CD2 4.49Å; L15-L38 HydrophobicContact CD1-CD2 4.19Å; V36-L38 HydrophobicContact CG1-CD2 3.81Å; V36-L38 HydrophobicContact CG1-CG 4.24Å; L38-L41 WeakPolarHBondContact CA-O 3.23Å; L38-L41 HydrophobicContact CB-CB 4.38Å; L38-L41 VanDerWaalsContact CB-O 3.3Å; L38-L41 WeakPolarHBondContact CB-O 3.48Å; L38-L41 HydrophobicContact CD1-CB 4.18Å; L38-L41 PolarHBondContact N-O 3.35Å; L38-L43 HydrophobicContact CD1-CD1 3.86Å; L38-L43 HydrophobicContact CD1-CG 4.17Å; L38-L78 WeakPolarHBondContact O-CD1 3.24Å
39D94.1Very high92.3Very high42 Ų4235.4 Ų35.423%0.22520%0.197CC..SBendtrans-65.4-36.3177.653.84000114.1Y13 S14 I16 Q126 C130Y13-D39 WeakPolarHBondContact CB-OD1 3.49Å; Y13-D39 VanDerWaalsContact CD1-OD1 3.23Å; Y13-D39 WeakPolarHBondContact CD1-OD1 3.03Å; S14-D39 PolarHBondContact N-OD1 2.93Å; S14-D39 PolarHBondContact N-OD2 2.97Å; S14-D39 PolarHBondContact O-N 3.39Å; I16-D39 HydrophobicContact CD1-CB 4.44Å; I16-D39 HydrophobicContact CG1-CB 4.46Å; D39-Q126 VanDerWaalsContact CA-NE2 3.34Å; D39-Q126 WeakPolarHBondContact O-CG 3.43Å; D39-Q126 PolarHBondContact O-NE2 3.44Å; D39-C130 PolarHBondContact O-SG 3.48Å
40E92.9Very high91.8Very high93 Ų9334 Ų3444%0.43519%0.194SC..SBendtrans-115.1-14.3178-64.3-168177.100114.2Y13 L78Y13-E40 HydrophobicContact CD1-CB 4.08Å; Y13-E40 HydrophobicContact CD1-CG 4.49Å; Y13-E40 HydrophobicContact CE1-CB 3.94Å; Y13-E40 HydrophobicContact CE1-CG 4.42Å; E40-L78 WeakPolarHBondContact O-CB 3.5Å; E40-L78 WeakPolarHBondContact O-CG 3.39Å; E40-L78 PolarHBondContact O-N 3.43Å
41L93.8Very high90.9Very high6 Ų632.5 Ų32.53%0.03120%0.195CC..EExtended strand (participates in β ladder)trans-133147.2-167.8-63.5172.4000111.8L8 Y13 L38 L75 L76 K77L8-L41 HydrophobicContact CD1-CD1 3.42Å; L8-L41 VanDerWaalsContact CD1-CD1 3.42Å; L8-L41 HydrophobicContact CD2-CD1 4.13Å; L8-L41 HydrophobicContact CG-CD1 4.42Å; Y13-L41 HydrophobicContact CD1-CD1 4.22Å; Y13-L41 HydrophobicContact CD1-CG 4.5Å; Y13-L41 HydrophobicContact CD2-CD1 4.25Å; Y13-L41 HydrophobicContact CE1-CD1 3.74Å; Y13-L41 HydrophobicContact CE1-CG 4.12Å; Y13-L41 HydrophobicContact CE2-CD1 3.79Å; Y13-L41 HydrophobicContact CG-CD1 4.45Å; Y13-L41 VanDerWaalsContact CZ-CD1 3.49Å; L38-L41 WeakPolarHBondContact CA-O 3.23Å; L38-L41 HydrophobicContact CB-CB 4.38Å; L38-L41 VanDerWaalsContact CB-O 3.3Å; L38-L41 WeakPolarHBondContact CB-O 3.48Å; L38-L41 HydrophobicContact CD1-CB 4.18Å; L38-L41 PolarHBondContact N-O 3.35Å; L41-L75 HydrophobicContact CB-CD1 4.3Å; L41-L75 HydrophobicContact CD1-CD1 4.08Å; L41-L75 HydrophobicContact CD2-CD1 4.04Å; L41-L75 HydrophobicContact CG-CD1 4.38Å; L41-L76 CarbonylContact C-O 3.58Å; L41-L76 WeakPolarHBondContact CA-O 3.45Å; L41-K77 HydrophobicContact CD2-CB 4.48Å; L41-K77 HydrophobicContact CD2-CG 3.82Å
42L96.1Very high90.3Very high2 Ų239.9 Ų39.91%0.0123%0.229CC..EExtended strand (participates in β ladder)trans-114.3123.5165.4175.968.2000109.2L37 L44 L76 L78 L81 L95 W119 L123L37-L42 HydrophobicContact CB-CD1 4.13Å; L37-L42 HydrophobicContact CD1-CB 4.45Å; L37-L42 HydrophobicContact CD1-CD1 4.27Å; L42-L44 HydrophobicContact CD2-CD2 4.4Å; L42-L44 HydrophobicContact CG-CD2 4.32Å; L42-L76 HydrophobicContact CB-CB 4.28Å; L42-L76 HydrophobicContact CD2-CD1 4.18Å; L42-L76 PolarHBondContact N-O 2.97Å; L42-L76 PolarHBondContact O-N 3.44Å; L42-L78 HydrophobicContact CB-CD2 3.91Å; L42-L81 HydrophobicContact CD2-CD2 3.93Å; L42-L95 HydrophobicContact CD2-CD1 3.43Å; L42-L95 VanDerWaalsContact CD2-CD1 3.43Å; L42-W119 HydrophobicContact CD1-CZ3 4.34Å; L42-L123 HydrophobicContact CD1-CD2 4.38Å; L42-L123 HydrophobicContact CD2-CD2 3.95Å
43L94.7Very high89.6Confident5 Ų545.3 Ų45.33%0.02624%0.241CC..EExtended strand (participates in β ladder)trans-102.1132.1176.3-56174.5000110.5L8 V10 A35 V36 L38 L45 L56 L75L8-L43 HydrophobicContact CD2-CD2 4.15Å; V10-L43 HydrophobicContact CG1-CD1 4.28Å; V10-L43 HydrophobicContact CG2-CD1 4.08Å; A35-L43 CarbonylContact C-O 3.55Å; A35-L43 VanDerWaalsContact CA-O 3.29Å; A35-L43 WeakPolarHBondContact CA-O 3.35Å; V36-L43 HydrophobicContact CB-CB 4.17Å; V36-L43 HydrophobicContact CB-CD1 4.4Å; V36-L43 PolarHBondContact N-O 3.04Å; V36-L43 PolarHBondContact O-N 3.08Å; L38-L43 HydrophobicContact CD1-CD1 3.86Å; L38-L43 HydrophobicContact CD1-CG 4.17Å; L43-L45 HydrophobicContact CB-CD2 4.27Å; L43-L45 HydrophobicContact CB-CG 4.33Å; L43-L56 HydrophobicContact CD2-CD2 4.27Å; L43-L75 HydrophobicContact CD2-CB 4.49Å; L43-L75 HydrophobicContact CD2-CD1 3.3Å; L43-L75 HydrophobicContact CD2-CG 4.38Å
44L94.9Very high89.2Confident2 Ų249.3 Ų49.31%0.0126%0.261CS..EExtended strand (participates in β ladder)trans-111.491.1175.1-61-176.3000109L33 A35 L42 P74 L76 Y106 L108L33-L44 HydrophobicContact CD1-CB 3.93Å; L33-L44 HydrophobicContact CD1-CD1 4.44Å; L33-L44 HydrophobicContact CD1-CD2 4.11Å; L33-L44 HydrophobicContact CD1-CG 4.38Å; A35-L44 HydrophobicContact CB-CD2 4.08Å; L42-L44 HydrophobicContact CD2-CD2 4.4Å; L42-L44 HydrophobicContact CG-CD2 4.32Å; L44-P74 HydrophobicContact CB-CB 4.31Å; L44-P74 PolarHBondContact N-O 3.46Å; L44-P74 WeakPolarHBondContact O-CB 3.42Å; L44-L76 HydrophobicContact CD1-CD1 4.05Å; L44-Y106 HydrophobicContact CD1-CD1 3.74Å; L44-Y106 HydrophobicContact CD1-CE1 4.04Å; L44-L108 HydrophobicContact CD2-CD1 4.18Å
45L93.2Very high88.7Confident25 Ų2549.5 Ų49.513%0.13127%0.267CS..EExtended strand (participates in β ladder)trans-91.7118.5-174.4-51.1173.9000110.5L33 H34 V36 L43 L54 L56L33-L45 CarbonylContact C-O 3.53Å; L33-L45 VanDerWaalsContact CA-O 3.27Å; L33-L45 WeakPolarHBondContact CA-O 3.47Å; H34-L45 PolarHBondContact N-O 3.44Å; H34-L45 VanDerWaalsContact O-CB 3.24Å; H34-L45 WeakPolarHBondContact O-CB 3.29Å; H34-L45 PolarHBondContact O-N 3.48Å; V36-L45 HydrophobicContact CG2-CD1 3.88Å; L43-L45 HydrophobicContact CB-CD2 4.27Å; L43-L45 HydrophobicContact CB-CG 4.33Å; L45-L54 HydrophobicContact CB-CB 4.09Å; L45-L54 HydrophobicContact CB-CD2 4.38Å; L45-L54 HydrophobicContact CD1-CB 4.21Å; L45-L54 HydrophobicContact CD1-CD1 3.89Å; L45-L56 HydrophobicContact CD2-CD1 4.42Å; L45-L56 HydrophobicContact CD2-CD2 3.51Å; L45-L56 HydrophobicContact CD2-CG 3.52Å
46S91.5Very high88.1Confident1 Ų153.3 Ų53.31%0.00729%0.287CS..EExtended strand (participates in β ladder)trans-74.5131.3174.765.10000110.8S55 R57S46-S55 PolarHBondContact N-O 2.97Å; S46-S55 PolarHBondContact O-N 3.38Å; S46-S55 PolarHBondContact OG-O 3.38Å; S46-S55 PolarHBondContact OG-OG 3.03Å; S46-R57 WeakPolarHBondContact OG-CB 3.28Å
47K86Confident87.4Confident74 Ų7458.7 Ų58.732%0.32231%0.306SS..EExtended strand (participates in β ladder)trans-77.3129.9174.4-63.9-173.6179.1-171.90109.6N20 P32 L54N20-K47 WeakPolarHBondContact OD1-CE 3.37Å; N20-K47 PolarHBondContact OD1-NZ 3.1Å; P32-K47 PolarHBondContact O-N 2.67Å; K47-L54 HydrophobicContact CG-CD2 3.76Å
48S81.8Confident86.7Confident34 Ų3462.6 Ų62.624%0.23832%0.323CS..PPolyproline II helixtrans-68.2160.2169.9173.10000110.9D50 G51 R53S48-D50 WeakPolarHBondContact CB-OD1 3.31Å; S48-D50 PolarHBondContact O-N 3.11Å; S48-D50 PolarHBondContact OG-OD1 3.35Å; S48-G51 PolarHBondContact O-N 2.9Å; S48-R53 VanDerWaalsContact CB-O 3.25Å; S48-R53 WeakPolarHBondContact CB-O 3.4Å; S48-R53 PolarHBondContact N-O 3.35Å
49S77.4Confident85.9Confident134 Ų13463.1 Ų63.194%0.93733%0.325SS*.THydrogen-bonded Turntrans-63.3-27.2-179.251.50000113.1G51S49-G51 VanDerWaalsContact C-N 3.25Å
50D78.7Confident84.6Confident78 Ų7863.9 Ų63.942%0.41733%0.329SS..THydrogen-bonded Turntrans-76.9-8.7172.962.10.4000113S48 H52S48-D50 WeakPolarHBondContact CB-OD1 3.31Å; S48-D50 PolarHBondContact O-N 3.11Å; S48-D50 PolarHBondContact OG-OD1 3.35Å; D50-H52 PolarHBondContact O-CD2 2.8Å; D50-H52 PolarHBondContact O-N 2.9Å; D50-H52 PolarHBondContact OD1-N 2.85Å
51G73Confident83.3Confident50 Ų5062.9 Ų62.952%0.51533%0.326SS..SBendtrans70-12.6-178.500000115.4S48 S49S48-G51 PolarHBondContact O-N 2.9Å; S49-G51 VanDerWaalsContact C-N 3.25Å
52H76.6Confident81.4Confident172 Ų17267.2 Ų67.280%0.79635%0.349SS*.SBendtrans-88.2-21.1-174.2-64.3-58.3000113.6D50D50-H52 PolarHBondContact O-CD2 2.8Å; D50-H52 PolarHBondContact O-N 2.9Å; D50-H52 PolarHBondContact OD1-N 2.85Å
53R80.3Confident79.1Confident179 Ų17972.9 Ų72.968%0.67538%0.384SS*.  trans-112.4127-177.8-58.7-176.972.1-170.13.6111.4S48S48-R53 VanDerWaalsContact CB-O 3.25Å; S48-R53 WeakPolarHBondContact CB-O 3.4Å; S48-R53 PolarHBondContact N-O 3.35Å
54L85.9Confident76.6Confident85 Ų8576 Ų7645%0.44542%0.418SS..EExtended strand (participates in β ladder)trans-97.4130.3167.7-65.9-178.8000108.6H34 L45 K47H34-L54 HydrophobicContact CB-CD1 4.23Å; H34-L54 HydrophobicContact CB-CD2 3.79Å; L45-L54 HydrophobicContact CB-CB 4.09Å; L45-L54 HydrophobicContact CB-CD2 4.38Å; L45-L54 HydrophobicContact CD1-CB 4.21Å; L45-L54 HydrophobicContact CD1-CD1 3.89Å; K47-L54 HydrophobicContact CG-CD2 3.76Å
55S84Confident74.1Confident39 Ų3985.9 Ų85.927%0.27346%0.461SS..EExtended strand (participates in β ladder)trans-132.1131.518065.70000112.2S46 R57S46-S55 PolarHBondContact N-O 2.97Å; S46-S55 PolarHBondContact O-N 3.38Å; S46-S55 PolarHBondContact OG-O 3.38Å; S46-S55 PolarHBondContact OG-OG 3.03Å; S55-R57 PolarHBondContact O-N 2.81Å; S55-R57 VanDerWaalsContact O-N 3.09Å
56L85.5Confident72.1Confident81 Ų8193.5 Ų93.542%0.42450%0.496SS..EExtended strand (participates in β ladder)trans-7198.8166.4-77.6167.5000107.9L43 L45 P74L43-L56 HydrophobicContact CD2-CD2 4.27Å; L45-L56 HydrophobicContact CD2-CD1 4.42Å; L45-L56 HydrophobicContact CD2-CD2 3.51Å; L45-L56 HydrophobicContact CD2-CG 3.52Å; L56-P74 HydrophobicContact CB-CG 4.14Å; L56-P74 HydrophobicContact CD2-CB 3.83Å; L56-P74 HydrophobicContact CD2-CG 3.94Å
57R82Confident70Confident127 Ų127101.1 Ų101.148%0.47954%0.536SS..  trans-111.1125.6-178.7-169.8178.7-70.3158.8-2.5109.6S46 S55 H59S46-R57 WeakPolarHBondContact OG-CB 3.28Å; S55-R57 PolarHBondContact O-N 2.81Å; S55-R57 VanDerWaalsContact O-N 3.09Å; R57-H59 PolarHBondContact O-CD2 3.44Å
58F83.2Confident68.3Low81 Ų81104 Ų10436%0.35555%0.552SS.*  trans-71.4129.3168.5-75.9-88.9000109.2M1 T71 C73 P74M1-F58 HydrophobicContact CE-CD2 4.37Å; M1-F58 HydrophobicContact CE-CE2 3.69Å; M1-F58 HydrophobicContact CE-CZ 4.28Å; M1-F58 HydrophobicContact CG-CE1 4.38Å; M1-F58 HydrophobicContact CG-CE2 4Å; M1-F58 HydrophobicContact CG-CZ 3.59Å; M1-F58 HydrophobicContact SD-CE2 3.49Å; M1-F58 WeakPolarHBondContact SD-CE2 3.5Å; M1-F58 HydrophobicContact SD-CZ 3.6Å; M1-F58 VanDerWaalsContact SD-CZ 3.6Å; F58-T71 HydrophobicContact CB-CG2 3.54Å; F58-T71 HydrophobicContact CD1-CG2 3.98Å; F58-T71 HydrophobicContact CG-CG2 4.21Å; F58-C73 HydrophobicContact CE1-CB 4.14Å; F58-P74 HydrophobicContact CD2-CG 4.47Å; F58-P74 HydrophobicContact CE2-CG 4.43Å
59H77.3Confident66.9Low16 Ų16109.8 Ų109.87%0.07457%0.573CS.*EExtended strand (participates in β ladder)trans-116.3131.7178.9-70.8-91.5000110.9W23 L25 R57 H72W23-H59 HydrophobicContact CH2-CB 3.89Å; W23-H59 HydrophobicContact CZ3-CB 4.05Å; W23-H59 AromaticContact CZ3-CD2 3.47Å; W23-H59 VanDerWaalsContact CZ3-CD2 3.47Å; W23-H59 WeakPolarHBondContact CZ3-CD2 3.36Å; L25-H59 HydrophobicContact CD2-CB 3.38Å; R57-H59 PolarHBondContact O-CD2 3.44Å; H59-H72 PolarHBondContact N-O 2.84Å; H59-H72 PolarHBondContact O-N 2.95Å
60N68.4Low65.9Low57 Ų57109 Ų10931%0.30555%0.55SS..EExtended strand (participates in β ladder)trans-92.5127.9178.6-144.5-5.8000110.1N62 W70N60-N62 VanDerWaalsContact C-N 3.29Å; N60-N62 VanDerWaalsContact CG-CG 3.48Å; N60-N62 PolarHBondContact ND2-ND2 3.07Å; N60-N62 VanDerWaalsContact ND2-ND2 3.16Å; N60-N62 PolarHBondContact ND2-OD1 3.49Å; N60-N62 PolarHBondContact O-N 3.37Å; N60-N62 PolarHBondContact OD1-OD1 3.05Å; N60-W70 PolarHBondContact OD1-O 2.73Å; N60-W70 VanDerWaalsContact OD1-O 3.04Å
61L64.3Low65.4Low73 Ų73108 Ų10838%0.38255%0.547SS..  trans-92.762.6175.9-169.172000109.1L25 T63 W70L25-L61 HydrophobicContact CB-CD1 4.27Å; L61-T63 PolarHBondContact O-N 2.9Å; L61-W70 PolarHBondContact N-O 3.03Å
62N55.1Low65.5Low96 Ų96106.4 Ų106.451%0.51353%0.526SS..  trans-91.697.9-179.7-64.87.4000109.5N60N60-N62 VanDerWaalsContact C-N 3.29Å; N60-N62 VanDerWaalsContact CG-CG 3.48Å; N60-N62 PolarHBondContact ND2-ND2 3.07Å; N60-N62 VanDerWaalsContact ND2-ND2 3.16Å; N60-N62 PolarHBondContact ND2-OD1 3.49Å; N60-N62 PolarHBondContact O-N 3.37Å; N60-N62 PolarHBondContact OD1-OD1 3.05Å
63T47.2Very low65.9Low121 Ų12199.1 Ų99.174%0.74249%0.494SS*.  trans-120.984.5164.750.80000109.2L61L61-T63 PolarHBondContact O-N 2.9Å
64G43.1Very low66.3Low71 Ų7190.7 Ų90.773%0.73246%0.462SS*.SBendtrans100.4129163.400000116.1E66G64-E66 PolarHBondContact O-N 3.1Å
65K41.7Very low66.5Low209 Ų20987.2 Ų87.291%0.90944%0.444SS*.SBendtrans13.391.4158.7-65.8179.8176.2-1790116.9
66E51.5Low66.9Low185 Ų18585.4 Ų85.486%0.86443%0.432SS*.SBendtrans166.7146141.8-95.1173.1-172.800109.4G64 M68G64-E66 PolarHBondContact O-N 3.1Å; E66-M68 PolarHBondContact O-N 3.3Å
67D46.2Very low67.2Low161 Ų16184.9 Ų84.986%0.86143%0.426SS*.SBendtrans-70.929.5-161.1-70.2-61.5000117.2
68M50.4Low67.8Low134 Ų13478.8 Ų78.866%0.6640%0.403SS*.  trans-109.193.3174.9-77.8173.5128.900111.4E66 W70E66-M68 PolarHBondContact O-N 3.3Å; M68-W70 VanDerWaalsContact C-N 3.33Å; M68-W70 HydrophobicContact CE-CZ2 3.9Å; M68-W70 VanDerWaalsContact O-CD1 3.27Å; M68-W70 PolarHBondContact O-N 2.9Å; M68-W70 HydrophobicContact SD-CZ2 4.19Å
69K53.4Low68.2Low157 Ų15776.2 Ų76.268%0.68340%0.395SS*.  trans-72.579.3175.9-58176.3-172.1176.40110.2T71K69-T71 PolarHBondContact O-N 3.46Å
70W56.5Low68.9Low117 Ų11778.7 Ų78.744%0.44341%0.409SS..  trans-73.698.1173.4-6298.9000110.1N60 L61 M68 Y101N60-W70 PolarHBondContact OD1-O 2.73Å; N60-W70 VanDerWaalsContact OD1-O 3.04Å; L61-W70 PolarHBondContact N-O 3.03Å; M68-W70 VanDerWaalsContact C-N 3.33Å; M68-W70 HydrophobicContact CE-CZ2 3.9Å; M68-W70 VanDerWaalsContact O-CD1 3.27Å; M68-W70 PolarHBondContact O-N 2.9Å; M68-W70 HydrophobicContact SD-CZ2 4.19Å; W70-Y101 WeakPolarHBondContact CH2-O 3.44Å; W70-Y101 WeakPolarHBondContact CZ3-O 3.33Å
71T67.1Low70.2Confident58 Ų5876 Ų7636%0.35639%0.394SS..EExtended strand (participates in β ladder)trans-91.6114.3176.6-500000108.9F58 K69 C73F58-T71 HydrophobicContact CB-CG2 3.54Å; F58-T71 HydrophobicContact CD1-CG2 3.98Å; F58-T71 HydrophobicContact CG-CG2 4.21Å; K69-T71 PolarHBondContact O-N 3.46Å; T71-C73 PolarHBondContact O-N 3.34Å
72H76.6Confident71.6Confident15 Ų1575.3 Ų75.37%0.06939%0.39CS..EExtended strand (participates in β ladder)trans-65.4129.4174.4-78.2-98.4000109.9W23 H59 I105 Y106W23-H72 HydrophobicContact CH2-CB 3.34Å; W23-H72 HydrophobicContact CZ2-CB 3.36Å; W23-H72 AromaticContact CZ2-CG 3.62Å; W23-H72 AromaticContact CZ2-ND1 3.96Å; H59-H72 PolarHBondContact N-O 2.84Å; H59-H72 PolarHBondContact O-N 2.95Å; H72-I105 PolarHBondContact CE1-O 2.79Å; H72-Y106 HydrophobicContact CB-CE1 3.75Å; H72-Y106 AromaticContact ND1-CD1 3.92Å; H72-Y106 AromaticContact ND1-CE1 3.55Å; H72-Y106 AromaticContact ND1-CE2 3.84Å; H72-Y106 AromaticContact ND1-CZ 3.45Å
73C84Confident73.6Confident20 Ų2071.3 Ų71.314%0.13537%0.371CS..  trans-80.8125.5178.2-170.10000110.2F58 T71 L75 L76 Y106F58-C73 HydrophobicContact CE1-CB 4.14Å; T71-C73 PolarHBondContact O-N 3.34Å; C73-L75 PolarHBondContact O-N 3.44Å; C73-L75 VanDerWaalsContact O-N 3.16Å; C73-L75 PolarHBondContact SG-O 2.87Å; C73-L76 WeakPolarHBondContact O-CD2 3.34Å; C73-Y106 PolarHBondContact N-OH 3.02Å; C73-Y106 PolarHBondContact O-OH 2.82Å
74P88.5Confident76Confident1 Ų171.8 Ų71.81%0.00636%0.363CS..SBendtrans-74.5-0.3177.932.7-36.7000113.3L44 L56 F58L44-P74 HydrophobicContact CB-CB 4.31Å; L44-P74 PolarHBondContact N-O 3.46Å; L44-P74 WeakPolarHBondContact O-CB 3.42Å; L56-P74 HydrophobicContact CB-CG 4.14Å; L56-P74 HydrophobicContact CD2-CB 3.83Å; L56-P74 HydrophobicContact CD2-CG 3.94Å; F58-P74 HydrophobicContact CD2-CG 4.47Å; F58-P74 HydrophobicContact CE2-CG 4.43Å
75L90.6Very high78.6Confident12 Ų1271.7 Ų71.76%0.06335%0.345CS..EExtended strand (participates in β ladder)trans-124.8114.3-175.6170.359.9000108.8Y5 L8 L41 L43 C73Y5-L75 HydrophobicContact CD1-CD2 2.99Å; Y5-L75 HydrophobicContact CD1-CG 3.7Å; Y5-L75 HydrophobicContact CD2-CD2 4.48Å; Y5-L75 HydrophobicContact CE1-CD2 3.54Å; Y5-L75 HydrophobicContact CE1-CG 3.68Å; Y5-L75 HydrophobicContact CG-CD2 3.5Å; Y5-L75 HydrophobicContact CG-CG 4.41Å; L8-L75 HydrophobicContact CD2-CD1 3.81Å; L8-L75 HydrophobicContact CD2-CD2 3.84Å; L41-L75 HydrophobicContact CB-CD1 4.3Å; L41-L75 HydrophobicContact CD1-CD1 4.08Å; L41-L75 HydrophobicContact CD2-CD1 4.04Å; L41-L75 HydrophobicContact CG-CD1 4.38Å; L43-L75 HydrophobicContact CD2-CB 4.49Å; L43-L75 HydrophobicContact CD2-CD1 3.3Å; L43-L75 HydrophobicContact CD2-CG 4.38Å; C73-L75 PolarHBondContact O-N 3.44Å; C73-L75 VanDerWaalsContact O-N 3.16Å; C73-L75 PolarHBondContact SG-O 2.87Å
76L92.6Very high81.1Confident2 Ų262 Ų621%0.0130%0.304CS..EExtended strand (participates in β ladder)trans-121.7123.3-168-56.6174.6000110.3L41 L42 L44 C73 L81 L95 Y106L41-L76 CarbonylContact C-O 3.58Å; L41-L76 WeakPolarHBondContact CA-O 3.45Å; L42-L76 HydrophobicContact CB-CB 4.28Å; L42-L76 HydrophobicContact CD2-CD1 4.18Å; L42-L76 PolarHBondContact N-O 2.97Å; L42-L76 PolarHBondContact O-N 3.44Å; L44-L76 HydrophobicContact CD1-CD1 4.05Å; C73-L76 WeakPolarHBondContact O-CD2 3.34Å; L76-L81 HydrophobicContact CB-CD1 4.34Å; L76-L81 HydrophobicContact CD1-CD1 4.12Å; L76-L95 HydrophobicContact CD1-CD1 4.28Å; L76-Y106 HydrophobicContact CD1-CD1 4.48Å; L76-Y106 HydrophobicContact CD1-CD2 4.18Å; L76-Y106 HydrophobicContact CD1-CE1 4.35Å; L76-Y106 HydrophobicContact CD1-CE2 4.09Å; L76-Y106 HydrophobicContact CD1-CG 4.42Å; L76-Y106 HydrophobicContact CD2-CE1 4.33Å; L76-Y106 HydrophobicContact CD2-CE2 3.68Å
77K92.1Very high83.1Confident69 Ų6958.3 Ų58.330%0.330%0.304SS..EExtended strand (participates in β ladder)trans-74127.6171.4-68.2-173.8-179.3-179.20110.1E4 L41 S79 N80 L81E4-K77 IonicContact OE1-NZ 3.93Å; E4-K77 WeakPolarHBondContact OE2-CE 3.48Å; E4-K77 IonicContact OE2-NZ 2.67Å; E4-K77 PolarHBondContact OE2-NZ 2.75Å; L41-K77 HydrophobicContact CD2-CB 4.48Å; L41-K77 HydrophobicContact CD2-CG 3.82Å; K77-S79 VanDerWaalsContact C-N 3.3Å; K77-S79 PolarHBondContact O-N 2.84Å; K77-N80 PolarHBondContact O-N 3.13Å; K77-L81 PolarHBondContact O-N 2.89Å
78L94.9Very high85.3Confident0 Ų057 Ų570%030%0.302CS..G310 helixtrans-66.7-30.8-176.2-65.3-178.5000113L37 L38 E40 L42 N80 L81 L123 Q126 I127 C130L37-L78 HydrophobicContact CD1-CD1 3.72Å; L37-L78 HydrophobicContact CD1-CD2 3.8Å; L37-L78 HydrophobicContact CD1-CG 4.38Å; L38-L78 WeakPolarHBondContact O-CD1 3.24Å; E40-L78 WeakPolarHBondContact O-CB 3.5Å; E40-L78 WeakPolarHBondContact O-CG 3.39Å; E40-L78 PolarHBondContact O-N 3.43Å; L42-L78 HydrophobicContact CB-CD2 3.91Å; L78-N80 PolarHBondContact O-N 3.37Å; L78-N80 VanDerWaalsContact O-N 3.17Å; L78-L81 HydrophobicContact CD2-CD2 3.84Å; L78-L81 PolarHBondContact O-N 2.99Å; L78-L123 HydrophobicContact CD2-CD2 4.47Å; L78-Q126 HydrophobicContact CD1-CB 4.1Å; L78-Q126 HydrophobicContact CD1-CG 3.41Å; L78-Q126 VanDerWaalsContact CD1-CG 3.41Å; L78-I127 HydrophobicContact CB-CG1 4.27Å; L78-I127 HydrophobicContact CD2-CG1 4.24Å; L78-C130 HydrophobicContact CB-CB 4.3Å
79S91.8Very high87.4Confident27 Ų2752.5 Ų52.519%0.18928%0.281CS..G310 helixtrans-55.7-34.6176.853.40000113.3K77 R131 D134K77-S79 VanDerWaalsContact C-N 3.3Å; K77-S79 PolarHBondContact O-N 2.84Å; S79-R131 PolarHBondContact O-NE 3.31Å; S79-D134 WeakPolarHBondContact CB-OD2 3.45Å
80N91.6Very high89.5Confident67 Ų6752.8 Ų52.836%0.35828%0.282SS..G310 helixtrans-99.23.3-178-68.2-16.3000113.7K77 L78 T98K77-N80 PolarHBondContact O-N 3.13Å; L78-N80 PolarHBondContact O-N 3.37Å; L78-N80 VanDerWaalsContact O-N 3.17Å; N80-T98 WeakPolarHBondContact CB-OG1 3.36Å; N80-T98 PolarHBondContact O-N 3.4Å; N80-T98 PolarHBondContact O-OG1 2.92Å
81L94.6Very high91.4Very high0 Ų051.9 Ų51.90%028%0.281CS..EExtended strand (participates in β ladder)trans-96.8146.4-174.4-158.764.5000110.9L42 L76 K77 L78 L95 V96 I127 R131L42-L81 HydrophobicContact CD2-CD2 3.93Å; L76-L81 HydrophobicContact CB-CD1 4.34Å; L76-L81 HydrophobicContact CD1-CD1 4.12Å; K77-L81 PolarHBondContact O-N 2.89Å; L78-L81 HydrophobicContact CD2-CD2 3.84Å; L78-L81 PolarHBondContact O-N 2.99Å; L81-L95 HydrophobicContact CD1-CB 3.93Å; L81-L95 HydrophobicContact CD2-CD1 4.27Å; L81-L95 HydrophobicContact CD2-CD2 4.29Å; L81-L95 HydrophobicContact CG-CB 4.41Å; L81-L95 HydrophobicContact CG-CD2 4.5Å; L81-V96 CarbonylContact C-O 3.43Å; L81-I127 HydrophobicContact CB-CD1 4.01Å; L81-I127 HydrophobicContact CB-CG1 4.27Å; L81-I127 HydrophobicContact CD2-CD1 4.23Å; L81-I127 HydrophobicContact CG-CD1 4.21Å; L81-I127 WeakPolarHBondContact O-CG2 3.42Å; L81-R131 PolarHBondContact O-NH2 2.9Å
82I95.1Very high92.8Very high59 Ų5949.1 Ų49.130%0.30326%0.264SS..EExtended strand (participates in β ladder)trans-130.7121.5169.9-59.8166.4000107.7K84 L95 V96I82-K84 HydrophobicContact CG2-CD 4.31Å; I82-K84 HydrophobicContact CG2-CG 4.08Å; I82-L95 CarbonylContact O-C 3.54Å; I82-L95 WeakPolarHBondContact O-CA 3.35Å; I82-V96 HydrophobicContact CB-CB 4.41Å; I82-V96 PolarHBondContact N-O 2.78Å; I82-V96 PolarHBondContact O-N 3.16Å
83A96.8Very high93.8Very high13 Ų1348.4 Ų48.411%0.10726%0.261CS..EExtended strand (participates in β ladder)trans-94.1133.9173.200000110.9F94 L95 L120 L123 I127A83-F94 WeakPolarHBondContact CA-O 3.44Å; A83-L95 HydrophobicContact CB-CD2 3.7Å; A83-L120 HydrophobicContact CB-CD2 3.95Å; A83-L123 HydrophobicContact CB-CB 4.12Å; A83-I127 HydrophobicContact CB-CD1 4.25Å
84K96.9Very high94.4Very high130 Ų13050.6 Ų50.657%0.56527%0.268SS*.EExtended strand (participates in β ladder)trans-137.2138.4-179.3-67.7-67.2-177.11770111.1I82 F93 F94I82-K84 HydrophobicContact CG2-CD 4.31Å; I82-K84 HydrophobicContact CG2-CG 4.08Å; K84-F93 CarbonylContact O-C 3.57Å; K84-F93 WeakPolarHBondContact O-CA 3.3Å; K84-F93 VanDerWaalsContact O-CB 3.31Å; K84-F93 WeakPolarHBondContact O-CB 3.37Å; K84-F94 PolarHBondContact N-O 3.5Å; K84-F94 PolarHBondContact O-N 3.09Å
85D97Very high94.8Very high69 Ų6950.5 Ų50.537%0.36927%0.268SS..EExtended strand (participates in β ladder)trans-67.2145173.4-158.4-50.8000110.4K116 K117 L120D85-K116 IonicContact OD1-NZ 2.68Å; D85-K116 PolarHBondContact OD1-NZ 3.19Å; D85-K116 WeakPolarHBondContact OD2-CE 3.4Å; D85-K116 IonicContact OD2-NZ 2.82Å; D85-K116 PolarHBondContact OD2-NZ 3.26Å; D85-K116 VanDerWaalsContact OD2-NZ 3.1Å; D85-K117 IonicContact OD2-NZ 2.86Å; D85-K117 PolarHBondContact OD2-NZ 3.27Å; D85-L120 HydrophobicContact CB-CD1 3.96Å
86M95.1Very high95Very high7 Ų751.7 Ų51.73%0.03428%0.276CS..  trans-97.9115.2174.9-171.8-176.5-62.800110.2T88 D89 A92 F94 E107M86-T88 VanDerWaalsContact C-N 3.31Å; M86-T88 VanDerWaalsContact CG-OG1 3.28Å; M86-T88 WeakPolarHBondContact CG-OG1 3.28Å; M86-T88 PolarHBondContact O-N 2.85Å; M86-T88 PolarHBondContact SD-OG1 2.88Å; M86-D89 CarbonylContact O-C 3.59Å; M86-D89 PolarHBondContact O-N 2.73Å; M86-D89 HydrophobicContact SD-CB 3.89Å; M86-A92 HydrophobicContact CB-CB 4.31Å; M86-A92 VanDerWaalsContact CB-O 3.24Å; M86-A92 WeakPolarHBondContact CB-O 3.42Å; M86-A92 HydrophobicContact CE-CB 3.78Å; M86-A92 PolarHBondContact N-O 3.22Å; M86-A92 HydrophobicContact SD-CB 3.75Å; M86-F94 HydrophobicContact CB-CD2 4.31Å; M86-F94 HydrophobicContact CB-CE2 4.17Å; M86-F94 HydrophobicContact CE-CD1 3.94Å; M86-F94 HydrophobicContact CE-CD2 3.96Å; M86-F94 HydrophobicContact CE-CE1 3.39Å; M86-F94 HydrophobicContact CE-CE2 3.43Å; M86-F94 VanDerWaalsContact CE-CE2 3.43Å; M86-F94 HydrophobicContact CE-CG 4.21Å; M86-F94 HydrophobicContact CE-CZ 3.12Å; M86-F94 HydrophobicContact CG-CD2 4.35Å; M86-F94 HydrophobicContact CG-CE2 3.71Å; M86-F94 HydrophobicContact CG-CZ 4.21Å; M86-F94 HydrophobicContact SD-CE2 4.22Å; M86-F94 HydrophobicContact SD-CZ 4.12Å; M86-E107 HydrophobicContact CE-CG 3.42Å; M86-E107 VanDerWaalsContact CE-CG 3.42Å
87A93.4Very high95Very high106 Ų10652.1 Ų52.188%0.87628%0.279SS*.THydrogen-bonded Turntrans-66.3-32.4-17800000113.4
88T93.4Very high94.7Very high133 Ų13352.1 Ų52.182%0.81629%0.285SS*.THydrogen-bonded Turntrans-77-22.9-176.348.30000113.5M86M86-T88 VanDerWaalsContact C-N 3.31Å; M86-T88 VanDerWaalsContact CG-OG1 3.28Å; M86-T88 WeakPolarHBondContact CG-OG1 3.28Å; M86-T88 PolarHBondContact O-N 2.85Å; M86-T88 PolarHBondContact SD-OG1 2.88Å
89D94.2Very high94Very high40 Ų4053.4 Ų53.421%0.21429%0.293CS..  trans-137116.1-179.8-175.2-13.5000111.2R24 M86 K91 A92R24-D89 IonicContact CZ-OD2 3.7Å; R24-D89 IonicContact NH1-OD2 3.11Å; R24-D89 PolarHBondContact NH1-OD2 2.91Å; R24-D89 IonicContact NH2-OD2 2.79Å; R24-D89 PolarHBondContact NH2-OD2 3.09Å; M86-D89 CarbonylContact O-C 3.59Å; M86-D89 PolarHBondContact O-N 2.73Å; M86-D89 HydrophobicContact SD-CB 3.89Å; D89-K91 PolarHBondContact O-N 2.83Å; D89-K91 VanDerWaalsContact O-N 3.08Å; D89-K91 PolarHBondContact OD1-N 3.26Å; D89-A92 HydrophobicContact CB-CB 3.86Å; D89-A92 PolarHBondContact O-N 2.85Å; D89-A92 VanDerWaalsContact O-N 3.1Å
90K96.3Very high93.1Very high163 Ų16358 Ų5871%0.70932%0.323SS*.THydrogen-bonded Turntrans-61.1-21.5-178.5-63.6-177.1-178.6178.90113F113 K116K90-F113 HydrophobicContact CB-CD2 4.22Å; K90-F113 VanDerWaalsContact O-CD2 3.29Å; K90-F113 WeakPolarHBondContact O-CD2 3.3Å; K90-K116 WeakPolarHBondContact O-CD 3.29Å; K90-K116 WeakPolarHBondContact O-CE 3.48Å; K90-K116 PolarHBondContact O-NZ 3.37Å
91K97Very high92.2Very high98 Ų9862.9 Ų62.943%0.42634%0.337SS..THydrogen-bonded Turntrans-101-4.7-179.9-60.6-173.4179.7-168.70113.9D89 A109 A110 S111D89-K91 PolarHBondContact O-N 2.83Å; D89-K91 VanDerWaalsContact O-N 3.08Å; D89-K91 PolarHBondContact OD1-N 3.26Å; K91-A109 WeakPolarHBondContact O-CA 3.35Å; K91-A110 PolarHBondContact O-N 2.95Å; K91-S111 PolarHBondContact NZ-O 3.01Å
92A97.1Very high91.4Very high0 Ų063.9 Ų63.90%035%0.348CS..EExtended strand (participates in β ladder)trans-112.8159.5-176.400000113.5M86 D89 L108 A109 K116M86-A92 HydrophobicContact CB-CB 4.31Å; M86-A92 VanDerWaalsContact CB-O 3.24Å; M86-A92 WeakPolarHBondContact CB-O 3.42Å; M86-A92 HydrophobicContact CE-CB 3.78Å; M86-A92 PolarHBondContact N-O 3.22Å; M86-A92 HydrophobicContact SD-CB 3.75Å; D89-A92 HydrophobicContact CB-CB 3.86Å; D89-A92 PolarHBondContact O-N 2.85Å; D89-A92 VanDerWaalsContact O-N 3.1Å; A92-L108 CarbonylContact C-O 3.58Å; A92-L108 VanDerWaalsContact CA-O 3.23Å; A92-L108 WeakPolarHBondContact CA-O 3.35Å; A92-L108 WeakPolarHBondContact CB-O 3.33Å; A92-A109 HydrophobicContact CB-CB 4.04Å; A92-K116 WeakPolarHBondContact O-CD 3.43Å
93F97.8Very high91Very high0 Ų065.8 Ų65.80%036%0.364CS..EExtended strand (participates in β ladder)trans-149.5161.6177.964.2-83.1000109.9L21 K84 L95 L108 K116 W119 L120 L123L21-F93 HydrophobicContact CD1-CE1 4.42Å; L21-F93 HydrophobicContact CD1-CZ 3.9Å; L21-F93 HydrophobicContact CD2-CE1 4.04Å; L21-F93 HydrophobicContact CD2-CZ 4.32Å; K84-F93 CarbonylContact O-C 3.57Å; K84-F93 WeakPolarHBondContact O-CA 3.3Å; K84-F93 VanDerWaalsContact O-CB 3.31Å; K84-F93 WeakPolarHBondContact O-CB 3.37Å; F93-L95 HydrophobicContact CD2-CD2 4.05Å; F93-L95 HydrophobicContact CD2-CG 4.3Å; F93-L95 HydrophobicContact CE2-CD1 4.39Å; F93-L95 HydrophobicContact CE2-CD2 3.83Å; F93-L95 HydrophobicContact CE2-CG 3.98Å; F93-L108 HydrophobicContact CD1-CB 4.4Å; F93-L108 WeakPolarHBondContact CD1-O 3.46Å; F93-L108 HydrophobicContact CE1-CB 3.93Å; F93-L108 HydrophobicContact CE2-CB 4.03Å; F93-L108 HydrophobicContact CE2-CD1 3.96Å; F93-L108 HydrophobicContact CZ-CB 3.73Å; F93-L108 HydrophobicContact CZ-CD1 3.97Å; F93-L108 HydrophobicContact CZ-CG 4.49Å; F93-L108 PolarHBondContact N-O 2.92Å; F93-L108 PolarHBondContact O-N 2.8Å; F93-L108 VanDerWaalsContact O-O 3.12Å; F93-K116 HydrophobicContact CB-CD 4.48Å; F93-K116 HydrophobicContact CB-CG 4.48Å; F93-K116 HydrophobicContact CD1-CG 3.93Å; F93-W119 HydrophobicContact CE1-CB 4.31Å; F93-W119 HydrophobicContact CZ-CB 4.25Å; F93-L120 HydrophobicContact CB-CD1 4.22Å; F93-L120 HydrophobicContact CB-CD2 3.92Å; F93-L120 HydrophobicContact CB-CG 4.19Å; F93-L120 HydrophobicContact CD2-CD2 4.09Å; F93-L120 HydrophobicContact CG-CD2 4.15Å; F93-L120 HydrophobicContact CG-CG 4.37Å; F93-L123 HydrophobicContact CE2-CD1 3.89Å; F93-L123 HydrophobicContact CZ-CD1 4.35Å
94F96.4Very high90.5Very high66 Ų6666.5 Ų66.529%0.28937%0.365SS..EExtended strand (participates in β ladder)trans-107.4142.4175.5-67.5-68000111.1A83 K84 M86 I105 Y106 E107A83-F94 WeakPolarHBondContact CA-O 3.44Å; K84-F94 PolarHBondContact N-O 3.5Å; K84-F94 PolarHBondContact O-N 3.09Å; M86-F94 HydrophobicContact CB-CD2 4.31Å; M86-F94 HydrophobicContact CB-CE2 4.17Å; M86-F94 HydrophobicContact CE-CD1 3.94Å; M86-F94 HydrophobicContact CE-CD2 3.96Å; M86-F94 HydrophobicContact CE-CE1 3.39Å; M86-F94 HydrophobicContact CE-CE2 3.43Å; M86-F94 VanDerWaalsContact CE-CE2 3.43Å; M86-F94 HydrophobicContact CE-CG 4.21Å; M86-F94 HydrophobicContact CE-CZ 3.12Å; M86-F94 HydrophobicContact CG-CD2 4.35Å; M86-F94 HydrophobicContact CG-CE2 3.71Å; M86-F94 HydrophobicContact CG-CZ 4.21Å; M86-F94 HydrophobicContact SD-CE2 4.22Å; M86-F94 HydrophobicContact SD-CZ 4.12Å; F94-I105 HydrophobicContact CD1-CG2 3.91Å; F94-I105 HydrophobicContact CE1-CG2 4.49Å; F94-Y106 CarbonylContact C-O 3.52Å; F94-Y106 VanDerWaalsContact CA-O 3.3Å; F94-Y106 WeakPolarHBondContact CA-O 3.48Å; F94-E107 HydrophobicContact CD1-CB 4.07Å; F94-E107 HydrophobicContact CD1-CG 4.3Å; F94-E107 HydrophobicContact CE1-CB 3.82Å; F94-E107 HydrophobicContact CE1-CG 3.81Å
95L96.4Very high90.3Very high0 Ų065 Ų650%036%0.362CS..EExtended strand (participates in β ladder)trans-111.1131.4160.4-53.5175.1000109.1L42 L76 L81 I82 A83 F93 I105 Y106 L108 L123L42-L95 HydrophobicContact CD2-CD1 3.43Å; L42-L95 VanDerWaalsContact CD2-CD1 3.43Å; L76-L95 HydrophobicContact CD1-CD1 4.28Å; L81-L95 HydrophobicContact CD1-CB 3.93Å; L81-L95 HydrophobicContact CD2-CD1 4.27Å; L81-L95 HydrophobicContact CD2-CD2 4.29Å; L81-L95 HydrophobicContact CG-CB 4.41Å; L81-L95 HydrophobicContact CG-CD2 4.5Å; I82-L95 CarbonylContact O-C 3.54Å; I82-L95 WeakPolarHBondContact O-CA 3.35Å; A83-L95 HydrophobicContact CB-CD2 3.7Å; F93-L95 HydrophobicContact CD2-CD2 4.05Å; F93-L95 HydrophobicContact CD2-CG 4.3Å; F93-L95 HydrophobicContact CE2-CD1 4.39Å; F93-L95 HydrophobicContact CE2-CD2 3.83Å; F93-L95 HydrophobicContact CE2-CG 3.98Å; L95-I105 CarbonylContact O-C 3.55Å; L95-I105 WeakPolarHBondContact O-CA 3.33Å; L95-Y106 HydrophobicContact CB-CD2 4.43Å; L95-Y106 PolarHBondContact N-O 2.8Å; L95-Y106 PolarHBondContact O-N 3.23Å; L95-L108 HydrophobicContact CD1-CD1 3.51Å; L95-L108 HydrophobicContact CG-CD1 4.11Å; L95-L123 HydrophobicContact CD2-CD1 4.03Å
96V94.4Very high90.1Very high37 Ų3761.7 Ų61.722%0.22434%0.344CS..EExtended strand (participates in β ladder)trans-113.1110.2173.3-174.30000107.5L81 I82 P103 Q104 I105L81-V96 CarbonylContact C-O 3.43Å; I82-V96 HydrophobicContact CB-CB 4.41Å; I82-V96 PolarHBondContact N-O 2.78Å; I82-V96 PolarHBondContact O-N 3.16Å; V96-P103 HydrophobicContact CG1-CB 4.27Å; V96-Q104 WeakPolarHBondContact CA-O 3.1Å; V96-I105 HydrophobicContact CG1-CG1 4.43Å; V96-I105 HydrophobicContact CG2-CG1 4.32Å
97S92Very high90.1Very high10 Ų1064 Ų647%0.0736%0.355CS..EExtended strand (participates in β ladder)trans-94122.8173.1-174.90000108.6S99 P103 Q104S97-S99 PolarHBondContact O-N 3.38Å; S97-P103 CarbonylContact O-C 3.58Å; S97-P103 WeakPolarHBondContact O-CA 3.29Å; S97-Q104 PolarHBondContact N-O 3.29Å; S97-Q104 PolarHBondContact O-N 2.98Å
98T87.5Confident90.3Very high70 Ų7059 Ų5943%0.42931%0.313SS..EExtended strand (participates in β ladder)trans-74.9125.5165.956.50000108.4N80N80-T98 WeakPolarHBondContact CB-OG1 3.36Å; N80-T98 PolarHBondContact O-N 3.4Å; N80-T98 PolarHBondContact O-OG1 2.92Å
99S78.4Confident90.4Very high26 Ų2652.8 Ų52.818%0.18228%0.276CS..EExtended strand (participates in β ladder)trans-127.6156.2173.885.80000109.6S97 Y101 G102 Q104S97-S99 PolarHBondContact O-N 3.38Å; S99-Y101 PolarHBondContact O-N 3.48Å; S99-Y101 VanDerWaalsContact O-N 3.12Å; S99-Y101 PolarHBondContact OG-N 3.16Å; S99-G102 WeakPolarHBondContact CB-O 3.46Å; S99-G102 PolarHBondContact N-O 2.94Å; S99-G102 CarbonylContact O-C 3.57Å; S99-G102 PolarHBondContact O-N 3Å; S99-G102 PolarHBondContact OG-N 3.24Å; S99-G102 PolarHBondContact OG-O 3.06Å; S99-Q104 PolarHBondContact OG-NE2 3.43Å
100P72.8Confident90.6Very high124 Ų12451.1 Ų51.181%0.80527%0.268SS*.THydrogen-bonded Turntrans-57.6-26.3177.6-24.834000113.5G102P100-G102 VanDerWaalsContact C-N 3.34Å
101Y74.2Confident90.6Very high170 Ų17046 Ų4667%0.66725%0.253SS*.THydrogen-bonded Turntrans-83.3-12.6177.6-54.6-71.6000112.4W70 S99W70-Y101 WeakPolarHBondContact CH2-O 3.44Å; W70-Y101 WeakPolarHBondContact CZ3-O 3.33Å; S99-Y101 PolarHBondContact O-N 3.48Å; S99-Y101 VanDerWaalsContact O-N 3.12Å; S99-Y101 PolarHBondContact OG-N 3.16Å
102G77.8Confident90.6Very high21 Ų2143.3 Ų43.322%0.21625%0.246CC..EExtended strand (participates in β ladder)trans135.9170.1-176.800000112.5S99 P100S99-G102 WeakPolarHBondContact CB-O 3.46Å; S99-G102 PolarHBondContact N-O 2.94Å; S99-G102 CarbonylContact O-C 3.57Å; S99-G102 PolarHBondContact O-N 3Å; S99-G102 PolarHBondContact OG-N 3.24Å; S99-G102 PolarHBondContact OG-O 3.06Å; P100-G102 VanDerWaalsContact C-N 3.34Å
103P85.5Confident90.6Very high98 Ų9848 Ų4864%0.63627%0.267SS*.EExtended strand (participates in β ladder)trans-68.6131.5176.228.4-33.2000111V96 S97V96-P103 HydrophobicContact CG1-CB 4.27Å; S97-P103 CarbonylContact O-C 3.58Å; S97-P103 WeakPolarHBondContact O-CA 3.29Å
104Q88Confident90.6Very high29 Ų2952.9 Ų52.914%0.13630%0.296CS..EExtended strand (participates in β ladder)trans-107.9124174-61.2-179.718.200109.3V96 S97 S99 Y106V96-Q104 WeakPolarHBondContact CA-O 3.1Å; S97-Q104 PolarHBondContact N-O 3.29Å; S97-Q104 PolarHBondContact O-N 2.98Å; S99-Q104 PolarHBondContact OG-NE2 3.43Å; Q104-Y106 HydrophobicContact CB-CE2 3.72Å; Q104-Y106 PolarHBondContact OE1-OH 2.81Å
105I91.2Very high90.7Very high98 Ų9853.1 Ų53.150%0.50330%0.298SS..EExtended strand (participates in β ladder)trans-107.6120.5-175.7-55.4177.2000110.4H72 F94 L95 V96H72-I105 PolarHBondContact CE1-O 2.79Å; F94-I105 HydrophobicContact CD1-CG2 3.91Å; F94-I105 HydrophobicContact CE1-CG2 4.49Å; L95-I105 CarbonylContact O-C 3.55Å; L95-I105 WeakPolarHBondContact O-CA 3.33Å; V96-I105 HydrophobicContact CG1-CG1 4.43Å; V96-I105 HydrophobicContact CG2-CG1 4.32Å
106Y93.7Very high90.7Very high0 Ų053.2 Ų53.20%030%0.298CS..EExtended strand (participates in β ladder)trans-105.9122.2178.6-58.9-104.3000109.4W23 L44 H72 C73 L76 F94 L95 Q104W23-Y106 AromaticContact CE2-CD1 3.85Å; W23-Y106 HydrophobicContact CH2-CD1 4.14Å; W23-Y106 AromaticContact CH2-CE1 3.89Å; W23-Y106 HydrophobicContact CH2-CE1 3.89Å; W23-Y106 AromaticContact CZ2-CD1 3.62Å; W23-Y106 HydrophobicContact CZ2-CD1 3.62Å; W23-Y106 AromaticContact CZ2-CE1 3.72Å; W23-Y106 HydrophobicContact CZ2-CE1 3.72Å; L44-Y106 HydrophobicContact CD1-CD1 3.74Å; L44-Y106 HydrophobicContact CD1-CE1 4.04Å; H72-Y106 HydrophobicContact CB-CE1 3.75Å; H72-Y106 AromaticContact ND1-CD1 3.92Å; H72-Y106 AromaticContact ND1-CE1 3.55Å; H72-Y106 AromaticContact ND1-CE2 3.84Å; H72-Y106 AromaticContact ND1-CZ 3.45Å; C73-Y106 PolarHBondContact N-OH 3.02Å; C73-Y106 PolarHBondContact O-OH 2.82Å; L76-Y106 HydrophobicContact CD1-CD1 4.48Å; L76-Y106 HydrophobicContact CD1-CD2 4.18Å; L76-Y106 HydrophobicContact CD1-CE1 4.35Å; L76-Y106 HydrophobicContact CD1-CE2 4.09Å; L76-Y106 HydrophobicContact CD1-CG 4.42Å; L76-Y106 HydrophobicContact CD2-CE1 4.33Å; L76-Y106 HydrophobicContact CD2-CE2 3.68Å; F94-Y106 CarbonylContact C-O 3.52Å; F94-Y106 VanDerWaalsContact CA-O 3.3Å; F94-Y106 WeakPolarHBondContact CA-O 3.48Å; L95-Y106 HydrophobicContact CB-CD2 4.43Å; L95-Y106 PolarHBondContact N-O 2.8Å; L95-Y106 PolarHBondContact O-N 3.23Å; Q104-Y106 HydrophobicContact CB-CE2 3.72Å; Q104-Y106 PolarHBondContact OE1-OH 2.81Å
107E94.9Very high90.9Very high55 Ų5555.8 Ų55.826%0.25731%0.307SS..EExtended strand (participates in β ladder)trans-94.7106.8172.3-175.5173.2158.400110R24 M86 F94R24-E107 HydrophobicContact CB-CB 4.15Å; R24-E107 HydrophobicContact CB-CG 3.91Å; R24-E107 WeakPolarHBondContact CD-OE1 3.33Å; R24-E107 HydrophobicContact CG-CG 4.43Å; R24-E107 PolarHBondContact N-O 3.3Å; R24-E107 IonicContact NH1-OE1 2.68Å; R24-E107 PolarHBondContact NH1-OE1 2.96Å; M86-E107 HydrophobicContact CE-CG 3.42Å; M86-E107 VanDerWaalsContact CE-CG 3.42Å; F94-E107 HydrophobicContact CD1-CB 4.07Å; F94-E107 HydrophobicContact CD1-CG 4.3Å; F94-E107 HydrophobicContact CE1-CB 3.82Å; F94-E107 HydrophobicContact CE1-CG 3.81Å
108L96.7Very high91.2Very high0 Ų057.6 Ų57.60%032%0.319CS..EExtended strand (participates in β ladder)trans-115.5139-177.1-58.3-179000110.6L21 F22 W23 L33 L44 A92 F93 L95L21-L108 HydrophobicContact CD1-CB 4.49Å; L21-L108 HydrophobicContact CD1-CD1 4Å; F22-L108 CarbonylContact O-C 3.58Å; F22-L108 WeakPolarHBondContact O-CA 3.42Å; W23-L108 HydrophobicContact CB-CD2 3.71Å; W23-L108 HydrophobicContact CG-CD2 3.86Å; L33-L108 HydrophobicContact CD1-CD2 4.16Å; L44-L108 HydrophobicContact CD2-CD1 4.18Å; A92-L108 CarbonylContact C-O 3.58Å; A92-L108 VanDerWaalsContact CA-O 3.23Å; A92-L108 WeakPolarHBondContact CA-O 3.35Å; A92-L108 WeakPolarHBondContact CB-O 3.33Å; F93-L108 HydrophobicContact CD1-CB 4.4Å; F93-L108 WeakPolarHBondContact CD1-O 3.46Å; F93-L108 HydrophobicContact CE1-CB 3.93Å; F93-L108 HydrophobicContact CE2-CB 4.03Å; F93-L108 HydrophobicContact CE2-CD1 3.96Å; F93-L108 HydrophobicContact CZ-CB 3.73Å; F93-L108 HydrophobicContact CZ-CD1 3.97Å; F93-L108 HydrophobicContact CZ-CG 4.49Å; F93-L108 PolarHBondContact N-O 2.92Å; F93-L108 PolarHBondContact O-N 2.8Å; F93-L108 VanDerWaalsContact O-O 3.12Å; L95-L108 HydrophobicContact CD1-CD1 3.51Å; L95-L108 HydrophobicContact CG-CD1 4.11Å
109A97Very high91.7Very high4 Ų454.4 Ų54.43%0.03330%0.299CS..EExtended strand (participates in β ladder)trans-122139.1174.700000111.2L21 F22 K91 A92L21-A109 CarbonylContact C-O 3.6Å; L21-A109 WeakPolarHBondContact CA-O 3.27Å; F22-A109 HydrophobicContact CB-CB 4.39Å; F22-A109 PolarHBondContact N-O 2.85Å; F22-A109 PolarHBondContact O-N 3.09Å; K91-A109 WeakPolarHBondContact O-CA 3.35Å; A92-A109 HydrophobicContact CB-CB 4.04Å
110A97.8Very high92.6Very high5 Ų554 Ų544%0.04130%0.295CS..  trans-95.3168.4172.600000111.2L21 K91 S112 E115 K116L21-A110 HydrophobicContact CD2-CB 3.92Å; K91-A110 PolarHBondContact O-N 2.95Å; A110-S112 VanDerWaalsContact C-N 3.29Å; A110-S112 PolarHBondContact O-N 3.5Å; A110-E115 HydrophobicContact CB-CB 3.82Å; A110-K116 HydrophobicContact CB-CB 4.21Å
111S96.4Very high93.7Very high56 Ų5651.7 Ų51.739%0.39228%0.282SS..SBendtrans-70.1-30.8179.6-31.50000111.4K91 E115K91-S111 PolarHBondContact NZ-O 3.01Å; S111-E115 WeakPolarHBondContact CA-OE2 3.24Å; S111-E115 WeakPolarHBondContact CB-OE2 3.45Å; S111-E115 PolarHBondContact N-OE2 2.83Å; S111-E115 PolarHBondContact OG-OE2 2.93Å
112S97.3Very high94.8Very high40 Ų4049 Ų4928%0.2827%0.27SS..SBendtrans-137.6163.5179.676.50000113.7A110 V114 E115 K116A110-S112 VanDerWaalsContact C-N 3.29Å; A110-S112 PolarHBondContact O-N 3.5Å; S112-V114 VanDerWaalsContact C-N 3.27Å; S112-V114 PolarHBondContact O-N 2.83Å; S112-V114 PolarHBondContact OG-N 2.81Å; S112-E115 PolarHBondContact N-OE2 3.49Å; S112-E115 PolarHBondContact O-N 3.29Å; S112-E115 WeakPolarHBondContact OG-CG 3.39Å; S112-E115 PolarHBondContact OG-N 3.37Å; S112-E115 VanDerWaalsContact OG-N 3.09Å; S112-K116 PolarHBondContact O-N 3.06Å
113F97Very high95.8Very high100 Ų10048 Ų4844%0.43926%0.26SS..Hα-helixtrans-61.9-36.5172.6170.9-94.7000111.9K90 K116 K117K90-F113 HydrophobicContact CB-CD2 4.22Å; K90-F113 VanDerWaalsContact O-CD2 3.29Å; K90-F113 WeakPolarHBondContact O-CD2 3.3Å; F113-K116 WeakPolarHBondContact O-CB 3.21Å; F113-K116 PolarHBondContact O-N 3.21Å; F113-K117 HydrophobicContact CD1-CG 4.32Å; F113-K117 HydrophobicContact CE1-CG 3.84Å; F113-K117 HydrophobicContact CE2-CD 4.46Å; F113-K117 HydrophobicContact CE2-CG 4.2Å; F113-K117 HydrophobicContact CZ-CD 4.17Å; F113-K117 HydrophobicContact CZ-CG 3.78Å; F113-K117 WeakPolarHBondContact O-CG 3.33Å; F113-K117 PolarHBondContact O-N 2.92Å
114V97.8Very high96.3Very high102 Ų10246 Ų4662%0.61825%0.246SC*.Hα-helixtrans-64.8-48.1179179.90000109.9S112 K116 K117 S118S112-V114 VanDerWaalsContact C-N 3.27Å; S112-V114 PolarHBondContact O-N 2.83Å; S112-V114 PolarHBondContact OG-N 2.81Å; V114-K116 VanDerWaalsContact C-N 3.32Å; V114-K116 PolarHBondContact O-N 3.17Å; V114-K117 PolarHBondContact O-N 3.03Å; V114-K117 VanDerWaalsContact O-N 3.12Å; V114-S118 PolarHBondContact O-N 3.47Å; V114-S118 PolarHBondContact O-OG 3.23Å
115E97.5Very high96.7Very high70 Ų7049.3 Ų49.333%0.32726%0.261SS..Hα-helixtrans-59.8-42175.4-74.3-178.716000111.9A110 S111 S112 K117 S118 W119A110-E115 HydrophobicContact CB-CB 3.82Å; S111-E115 WeakPolarHBondContact CA-OE2 3.24Å; S111-E115 WeakPolarHBondContact CB-OE2 3.45Å; S111-E115 PolarHBondContact N-OE2 2.83Å; S111-E115 PolarHBondContact OG-OE2 2.93Å; S112-E115 PolarHBondContact N-OE2 3.49Å; S112-E115 PolarHBondContact O-N 3.29Å; S112-E115 WeakPolarHBondContact OG-CG 3.39Å; S112-E115 PolarHBondContact OG-N 3.37Å; S112-E115 VanDerWaalsContact OG-N 3.09Å; E115-K117 VanDerWaalsContact C-N 3.32Å; E115-K117 PolarHBondContact O-N 2.95Å; E115-S118 PolarHBondContact O-N 2.98Å; E115-W119 VanDerWaalsContact O-CD1 3.26Å; E115-W119 PolarHBondContact O-N 2.85Å
116K97.6Very high96.9Very high3 Ų345.7 Ų45.71%0.01324%0.243CC..Hα-helixtrans-55.3-48.6173.7-175.5-167.773171.90111.3D85 K90 A92 F93 A110 S112 F113 V114 S118 W119 L120D85-K116 IonicContact OD1-NZ 2.68Å; D85-K116 PolarHBondContact OD1-NZ 3.19Å; D85-K116 WeakPolarHBondContact OD2-CE 3.4Å; D85-K116 IonicContact OD2-NZ 2.82Å; D85-K116 PolarHBondContact OD2-NZ 3.26Å; D85-K116 VanDerWaalsContact OD2-NZ 3.1Å; K90-K116 WeakPolarHBondContact O-CD 3.29Å; K90-K116 WeakPolarHBondContact O-CE 3.48Å; K90-K116 PolarHBondContact O-NZ 3.37Å; A92-K116 WeakPolarHBondContact O-CD 3.43Å; F93-K116 HydrophobicContact CB-CD 4.48Å; F93-K116 HydrophobicContact CB-CG 4.48Å; F93-K116 HydrophobicContact CD1-CG 3.93Å; A110-K116 HydrophobicContact CB-CB 4.21Å; S112-K116 PolarHBondContact O-N 3.06Å; F113-K116 WeakPolarHBondContact O-CB 3.21Å; F113-K116 PolarHBondContact O-N 3.21Å; V114-K116 VanDerWaalsContact C-N 3.32Å; V114-K116 PolarHBondContact O-N 3.17Å; K116-S118 VanDerWaalsContact C-N 3.35Å; K116-W119 PolarHBondContact O-N 3.22Å; K116-L120 HydrophobicContact CD-CD1 4.3Å; K116-L120 HydrophobicContact CG-CD1 4.16Å; K116-L120 PolarHBondContact O-N 3.01Å
117K97.5Very high97Very high91 Ų9146.1 Ų46.140%0.39625%0.245SC..Hα-helixtrans-64-40-178.7-73-60.4-172.1-169.20111.8D85 F113 V114 E115 S121D85-K117 IonicContact OD2-NZ 2.86Å; D85-K117 PolarHBondContact OD2-NZ 3.27Å; F113-K117 HydrophobicContact CD1-CG 4.32Å; F113-K117 HydrophobicContact CE1-CG 3.84Å; F113-K117 HydrophobicContact CE2-CD 4.46Å; F113-K117 HydrophobicContact CE2-CG 4.2Å; F113-K117 HydrophobicContact CZ-CD 4.17Å; F113-K117 HydrophobicContact CZ-CG 3.78Å; F113-K117 WeakPolarHBondContact O-CG 3.33Å; F113-K117 PolarHBondContact O-N 2.92Å; V114-K117 PolarHBondContact O-N 3.03Å; V114-K117 VanDerWaalsContact O-N 3.12Å; E115-K117 VanDerWaalsContact C-N 3.32Å; E115-K117 PolarHBondContact O-N 2.95Å; K117-S121 WeakPolarHBondContact O-CB 3.23Å; K117-S121 PolarHBondContact O-N 3.43Å
118S97.9Very high97Very high47 Ų4748.4 Ų48.433%0.32926%0.255SS..Hα-helixtrans-59.8-49172.7-59.80000111.8V114 E115 K116 S121 R122V114-S118 PolarHBondContact O-N 3.47Å; V114-S118 PolarHBondContact O-OG 3.23Å; E115-S118 PolarHBondContact O-N 2.98Å; K116-S118 VanDerWaalsContact C-N 3.35Å; S118-S121 PolarHBondContact O-N 3.49Å; S118-R122 WeakPolarHBondContact O-CG 3.42Å; S118-R122 PolarHBondContact O-N 3.5Å
119W98.1Very high96.9Very high3 Ų351 Ų511%0.01127%0.271CS..Hα-helixtrans-57.3-51.6177-87.7110.5000112.4Y17 L21 A35 L37 L42 F93 E115 K116 S121 R122 L123Y17-W119 AromaticContact CD1-CD2 3.73Å; Y17-W119 HydrophobicContact CD1-CD2 3.73Å; Y17-W119 AromaticContact CD1-CE2 3.81Å; Y17-W119 AromaticContact CD1-CE3 3.66Å; Y17-W119 HydrophobicContact CD1-CE3 3.66Å; Y17-W119 HydrophobicContact CD1-CG 4.46Å; Y17-W119 AromaticContact CD1-CH2 3.76Å; Y17-W119 HydrophobicContact CD1-CH2 3.76Å; Y17-W119 AromaticContact CD1-CZ2 3.85Å; Y17-W119 HydrophobicContact CD1-CZ2 3.85Å; Y17-W119 AromaticContact CD1-CZ3 3.68Å; Y17-W119 HydrophobicContact CD1-CZ3 3.68Å; Y17-W119 AromaticContact CE1-CD2 3.57Å; Y17-W119 HydrophobicContact CE1-CD2 3.57Å; Y17-W119 AromaticContact CE1-CE2 3.48Å; Y17-W119 VanDerWaalsContact CE1-CE2 3.48Å; Y17-W119 HydrophobicContact CE1-CE3 4.02Å; Y17-W119 AromaticContact CE1-CG 3.93Å; Y17-W119 HydrophobicContact CE1-CG 3.93Å; Y17-W119 HydrophobicContact CE1-CH2 4.25Å; Y17-W119 AromaticContact CE1-CZ2 3.85Å; Y17-W119 HydrophobicContact CE1-CZ2 3.85Å; Y17-W119 HydrophobicContact CE1-CZ3 4.34Å; Y17-W119 AromaticContact CE1-NE1 3.77Å; L21-W119 HydrophobicContact CD1-CD2 4.17Å; L21-W119 HydrophobicContact CD1-CZ2 4.14Å; L21-W119 HydrophobicContact CD2-CG 4.31Å; L21-W119 HydrophobicContact CG-CZ2 4.22Å; A35-W119 HydrophobicContact CB-CH2 3.59Å; A35-W119 HydrophobicContact CB-CZ2 3.88Å; A35-W119 HydrophobicContact CB-CZ3 4.31Å; A35-W119 WeakPolarHBondContact O-CH2 3.03Å; L37-W119 HydrophobicContact CB-CZ3 4.04Å; L42-W119 HydrophobicContact CD1-CZ3 4.34Å; F93-W119 HydrophobicContact CE1-CB 4.31Å; F93-W119 HydrophobicContact CZ-CB 4.25Å; E115-W119 VanDerWaalsContact O-CD1 3.26Å; E115-W119 PolarHBondContact O-N 2.85Å; K116-W119 PolarHBondContact O-N 3.22Å; W119-S121 VanDerWaalsContact C-N 3.35Å; W119-S121 PolarHBondContact O-N 3.45Å; W119-R122 PolarHBondContact O-N 3.42Å; W119-L123 HydrophobicContact CE3-CD1 4.15Å; W119-L123 HydrophobicContact CE3-CG 4.38Å; W119-L123 VanDerWaalsContact O-CB 3.28Å; W119-L123 WeakPolarHBondContact O-CB 3.5Å; W119-L123 WeakPolarHBondContact O-CD1 3.35Å; W119-L123 VanDerWaalsContact O-CG 3.29Å; W119-L123 WeakPolarHBondContact O-CG 3.4Å; W119-L123 PolarHBondContact O-N 3.1Å
120L97.6Very high96.7Very high19 Ų1951.2 Ų51.210%0.09927%0.272CS..Hα-helixtrans-60.3-43.5179.2-79.3174000112A83 D85 F93 K116 T124A83-L120 HydrophobicContact CB-CD2 3.95Å; D85-L120 HydrophobicContact CB-CD1 3.96Å; F93-L120 HydrophobicContact CB-CD1 4.22Å; F93-L120 HydrophobicContact CB-CD2 3.92Å; F93-L120 HydrophobicContact CB-CG 4.19Å; F93-L120 HydrophobicContact CD2-CD2 4.09Å; F93-L120 HydrophobicContact CG-CD2 4.15Å; F93-L120 HydrophobicContact CG-CG 4.37Å; K116-L120 HydrophobicContact CD-CD1 4.3Å; K116-L120 HydrophobicContact CG-CD1 4.16Å; K116-L120 PolarHBondContact O-N 3.01Å; L120-T124 WeakPolarHBondContact O-CB 3.3Å; L120-T124 PolarHBondContact O-N 3.34Å; L120-T124 PolarHBondContact O-OG1 3.31Å
121S97.2Very high96.3Very high75 Ų7555.5 Ų55.552%0.52429%0.287SS..Hα-helixtrans-59.4-50.3178.3-170.10000111.5K117 S118 W119 E125K117-S121 WeakPolarHBondContact O-CB 3.23Å; K117-S121 PolarHBondContact O-N 3.43Å; S118-S121 PolarHBondContact O-N 3.49Å; W119-S121 VanDerWaalsContact C-N 3.35Å; W119-S121 PolarHBondContact O-N 3.45Å; S121-E125 WeakPolarHBondContact O-CB 3.47Å; S121-E125 PolarHBondContact O-N 3.3Å
122R97.4Very high96Very high113 Ų11359.6 Ų59.643%0.42630%0.298SS..Hα-helixtrans-66.4-42.2-179.1-65.1-60.7-173.5-170.65.3112.4Y17 L37 S118 W119 E125 Q126Y17-R122 HydrophobicContact CD2-CG 4.39Å; Y17-R122 HydrophobicContact CG-CG 4.19Å; L37-R122 HydrophobicContact CD2-CB 3.89Å; S118-R122 WeakPolarHBondContact O-CG 3.42Å; S118-R122 PolarHBondContact O-N 3.5Å; W119-R122 PolarHBondContact O-N 3.42Å; R122-E125 IonicContact NH1-OE2 3.18Å; R122-E125 PolarHBondContact NH1-OE2 3.08Å; R122-Q126 WeakPolarHBondContact O-CB 3.33Å; R122-Q126 PolarHBondContact O-N 2.76Å
123L97.6Very high95.5Very high1 Ų162.3 Ų62.31%0.00531%0.309CS..Hα-helixtrans-62.9-47.9177.6-78.5163.1000111.6L37 L42 L78 A83 F93 L95 W119 Q126 I127L37-L123 HydrophobicContact CD1-CD2 3.75Å; L37-L123 HydrophobicContact CD2-CD2 4.23Å; L37-L123 HydrophobicContact CD2-CG 4.35Å; L42-L123 HydrophobicContact CD1-CD2 4.38Å; L42-L123 HydrophobicContact CD2-CD2 3.95Å; L78-L123 HydrophobicContact CD2-CD2 4.47Å; A83-L123 HydrophobicContact CB-CB 4.12Å; F93-L123 HydrophobicContact CE2-CD1 3.89Å; F93-L123 HydrophobicContact CZ-CD1 4.35Å; L95-L123 HydrophobicContact CD2-CD1 4.03Å; W119-L123 HydrophobicContact CE3-CD1 4.15Å; W119-L123 HydrophobicContact CE3-CG 4.38Å; W119-L123 VanDerWaalsContact O-CB 3.28Å; W119-L123 WeakPolarHBondContact O-CB 3.5Å; W119-L123 WeakPolarHBondContact O-CD1 3.35Å; W119-L123 VanDerWaalsContact O-CG 3.29Å; W119-L123 WeakPolarHBondContact O-CG 3.4Å; W119-L123 PolarHBondContact O-N 3.1Å; L123-Q126 PolarHBondContact O-N 2.84Å; L123-I127 HydrophobicContact CB-CD1 4.46Å; L123-I127 VanDerWaalsContact O-CB 3.29Å; L123-I127 WeakPolarHBondContact O-CB 3Å; L123-I127 WeakPolarHBondContact O-CD1 3.39Å; L123-I127 WeakPolarHBondContact O-CG1 3.45Å; L123-I127 PolarHBondContact O-N 3.24Å
124T96.4Very high94.5Very high55 Ų5561.2 Ų61.234%0.33731%0.308SS..Hα-helixtrans-63.1-45.4179.8-61.90000111.5L120 Q126 I127 E128L120-T124 WeakPolarHBondContact O-CB 3.3Å; L120-T124 PolarHBondContact O-N 3.34Å; L120-T124 PolarHBondContact O-OG1 3.31Å; T124-Q126 PolarHBondContact O-N 2.84Å; T124-I127 PolarHBondContact O-N 3.36Å; T124-E128 WeakPolarHBondContact CG2-OE1 3.42Å; T124-E128 WeakPolarHBondContact O-CB 3.25Å; T124-E128 WeakPolarHBondContact O-CG 3.46Å; T124-E128 PolarHBondContact O-N 2.65Å
125E96.3Very high93Very high98 Ų9862.7 Ų62.746%0.45831%0.308SS..Hα-helixtrans-57-46.9175.6-178.2179.1-165.500111.9S121 R122 T129S121-E125 WeakPolarHBondContact O-CB 3.47Å; S121-E125 PolarHBondContact O-N 3.3Å; R122-E125 IonicContact NH1-OE2 3.18Å; R122-E125 PolarHBondContact NH1-OE2 3.08Å; E125-T129 PolarHBondContact O-N 2.9Å; E125-T129 VanDerWaalsContact O-N 3.1Å; E125-T129 PolarHBondContact O-OG1 2.95Å
126Q96.3Very high91.1Very high23 Ų2361.5 Ų61.511%0.10732%0.315CS..Hα-helixtrans-72.8-41.3-177.7-163.16028.100112.7D39 L78 R122 L123 T124 E128 T129 C130D39-Q126 VanDerWaalsContact CA-NE2 3.34Å; D39-Q126 WeakPolarHBondContact O-CG 3.43Å; D39-Q126 PolarHBondContact O-NE2 3.44Å; L78-Q126 HydrophobicContact CD1-CB 4.1Å; L78-Q126 HydrophobicContact CD1-CG 3.41Å; L78-Q126 VanDerWaalsContact CD1-CG 3.41Å; R122-Q126 WeakPolarHBondContact O-CB 3.33Å; R122-Q126 PolarHBondContact O-N 2.76Å; L123-Q126 PolarHBondContact O-N 2.84Å; T124-Q126 PolarHBondContact O-N 2.84Å; Q126-E128 VanDerWaalsContact C-N 3.29Å; Q126-E128 PolarHBondContact O-N 3.09Å; Q126-T129 WeakPolarHBondContact O-CB 3.49Å; Q126-T129 PolarHBondContact O-N 2.93Å; Q126-T129 VanDerWaalsContact O-N 3.09Å; Q126-C130 PolarHBondContact O-N 3.17Å; Q126-C130 PolarHBondContact O-SG 3.27Å
127I95.9Very high89Confident8 Ų868.4 Ų68.44%0.04135%0.345CS..Hα-helixtrans-57.9-43.3175.3-71.5164.7000110.7L78 L81 A83 L123 T124 T129 C130 R131L78-I127 HydrophobicContact CB-CG1 4.27Å; L78-I127 HydrophobicContact CD2-CG1 4.24Å; L81-I127 HydrophobicContact CB-CD1 4.01Å; L81-I127 HydrophobicContact CB-CG1 4.27Å; L81-I127 HydrophobicContact CD2-CD1 4.23Å; L81-I127 HydrophobicContact CG-CD1 4.21Å; L81-I127 WeakPolarHBondContact O-CG2 3.42Å; A83-I127 HydrophobicContact CB-CD1 4.25Å; L123-I127 HydrophobicContact CB-CD1 4.46Å; L123-I127 VanDerWaalsContact O-CB 3.29Å; L123-I127 WeakPolarHBondContact O-CB 3Å; L123-I127 WeakPolarHBondContact O-CD1 3.39Å; L123-I127 WeakPolarHBondContact O-CG1 3.45Å; L123-I127 PolarHBondContact O-N 3.24Å; T124-I127 PolarHBondContact O-N 3.36Å; I127-T129 VanDerWaalsContact C-N 3.33Å; I127-C130 PolarHBondContact O-N 3.21Å; I127-R131 WeakPolarHBondContact O-CG 3.18Å; I127-R131 PolarHBondContact O-N 3.21Å; I127-R131 VanDerWaalsContact O-N 3.09Å
128E94.7Very high86.5Confident104 Ų10474.6 Ų74.649%0.48637%0.365SS..Hα-helixtrans-64.3-38.6176.2-74.3178.9-164.700112.1T124 Q126 R131 K132T124-E128 WeakPolarHBondContact CG2-OE1 3.42Å; T124-E128 WeakPolarHBondContact O-CB 3.25Å; T124-E128 WeakPolarHBondContact O-CG 3.46Å; T124-E128 PolarHBondContact O-N 2.65Å; Q126-E128 VanDerWaalsContact C-N 3.29Å; Q126-E128 PolarHBondContact O-N 3.09Å; E128-R131 PolarHBondContact O-N 3.16Å; E128-K132 WeakPolarHBondContact O-CG 3.46Å; E128-K132 PolarHBondContact O-N 3.36Å; E128-K132 VanDerWaalsContact O-N 3.16Å
129T94Very high83.5Confident55 Ų5576.7 Ų76.734%0.33738%0.379SS..Hα-helixtrans-64.4-47.4176.7-59.20000111.6E125 Q126 I127 R131 K132 L133E125-T129 PolarHBondContact O-N 2.9Å; E125-T129 VanDerWaalsContact O-N 3.1Å; E125-T129 PolarHBondContact O-OG1 2.95Å; Q126-T129 WeakPolarHBondContact O-CB 3.49Å; Q126-T129 PolarHBondContact O-N 2.93Å; Q126-T129 VanDerWaalsContact O-N 3.09Å; I127-T129 VanDerWaalsContact C-N 3.33Å; T129-R131 VanDerWaalsContact C-N 3.34Å; T129-R131 PolarHBondContact O-N 2.92Å; T129-K132 PolarHBondContact O-N 3.41Å; T129-L133 HydrophobicContact CG2-CD1 4.43Å; T129-L133 PolarHBondContact O-N 3.27Å; T129-L133 VanDerWaalsContact O-N 3.16Å
130C91.8Very high80.5Confident7 Ų781 Ų815%0.04741%0.409CS..Hα-helixtrans-59.8-42.4176.3-610000112.3D39 L78 Q126 I127 K132 L133 D134D39-C130 PolarHBondContact O-SG 3.48Å; L78-C130 HydrophobicContact CB-CB 4.3Å; Q126-C130 PolarHBondContact O-N 3.17Å; Q126-C130 PolarHBondContact O-SG 3.27Å; I127-C130 PolarHBondContact O-N 3.21Å; C130-K132 VanDerWaalsContact C-N 3.3Å; C130-K132 PolarHBondContact O-N 3.04Å; C130-L133 PolarHBondContact O-N 2.89Å; C130-D134 PolarHBondContact O-N 3.19Å
131R90.6Very high77.8Confident95 Ų9587.8 Ų87.836%0.35844%0.444SS..Hα-helixtrans-65-33179.5-75.6177.9174.7-178.12.8113S79 L81 I127 E128 T129 Q135S79-R131 PolarHBondContact O-NE 3.31Å; L81-R131 PolarHBondContact O-NH2 2.9Å; I127-R131 WeakPolarHBondContact O-CG 3.18Å; I127-R131 PolarHBondContact O-N 3.21Å; I127-R131 VanDerWaalsContact O-N 3.09Å; E128-R131 PolarHBondContact O-N 3.16Å; T129-R131 VanDerWaalsContact C-N 3.34Å; T129-R131 PolarHBondContact O-N 2.92Å; R131-Q135 VanDerWaalsContact O-CG 3.3Å; R131-Q135 WeakPolarHBondContact O-CG 3.09Å; R131-Q135 PolarHBondContact O-N 3.37Å; R131-Q135 PolarHBondContact O-NE2 3.41Å
132K90Very high74.6Confident142 Ų14288.4 Ų88.462%0.61745%0.449SS*.Hα-helixtrans-67.8-40.8173.7-71.5168.9-175.31720111.3E128 T129 C130 Q135 G136E128-K132 WeakPolarHBondContact O-CG 3.46Å; E128-K132 PolarHBondContact O-N 3.36Å; E128-K132 VanDerWaalsContact O-N 3.16Å; T129-K132 PolarHBondContact O-N 3.41Å; C130-K132 VanDerWaalsContact C-N 3.3Å; C130-K132 PolarHBondContact O-N 3.04Å; K132-Q135 PolarHBondContact O-N 3.39Å; K132-G136 PolarHBondContact O-N 2.88Å; K132-G136 VanDerWaalsContact O-N 3.1Å
133L85.7Confident71.6Confident98 Ų9891.2 Ų91.251%0.51347%0.469SS..Hα-helixtrans-65-41.3177.6-69.4167.4000112.4T129 C130 Q135 G136 K137T129-L133 HydrophobicContact CG2-CD1 4.43Å; T129-L133 PolarHBondContact O-N 3.27Å; T129-L133 VanDerWaalsContact O-N 3.16Å; C130-L133 PolarHBondContact O-N 2.89Å; L133-Q135 PolarHBondContact O-N 3.42Å; L133-G136 PolarHBondContact O-N 2.94Å; L133-K137 PolarHBondContact O-N 2.7Å
134D77.9Confident68.7Low77 Ų7797.9 Ų97.941%0.41251%0.509SS..Hα-helixtrans-67.2-34.7177.7-78.4-18.4000112.8S79 C130S79-D134 WeakPolarHBondContact CB-OD2 3.45Å; C130-D134 PolarHBondContact O-N 3.19Å
135Q66.3Low65.9Low133 Ų133104.3 Ų104.362%0.62154%0.535SS*.Hα-helixtrans-68.9-36.3174.2-72.5171.748.600111.6R131 K132 L133 K137 R138 C139R131-Q135 VanDerWaalsContact O-CG 3.3Å; R131-Q135 WeakPolarHBondContact O-CG 3.09Å; R131-Q135 PolarHBondContact O-N 3.37Å; R131-Q135 PolarHBondContact O-NE2 3.41Å; K132-Q135 PolarHBondContact O-N 3.39Å; L133-Q135 PolarHBondContact O-N 3.42Å; Q135-K137 VanDerWaalsContact C-N 3.34Å; Q135-K137 PolarHBondContact O-N 2.62Å; Q135-R138 PolarHBondContact O-N 3.19Å; Q135-C139 PolarHBondContact O-N 3.48Å
136G56.7Low63Low45 Ų45108.6 Ų108.646%0.46456%0.555SS.*Hα-helixtrans-63.8-34.217600000114K132 L133 R138K132-G136 PolarHBondContact O-N 2.88Å; K132-G136 VanDerWaalsContact O-N 3.1Å; L133-G136 PolarHBondContact O-N 2.94Å; G136-R138 VanDerWaalsContact C-N 3.33Å; G136-R138 PolarHBondContact O-N 3.12Å
137K53.3Low60.3Low148 Ų148113.9 Ų113.964%0.64359%0.589SS**Hα-helixtrans-74.2-17.9179-75.6176.4179.9169.90114.2L133 Q135L133-K137 PolarHBondContact O-N 2.7Å; Q135-K137 VanDerWaalsContact C-N 3.34Å; Q135-K137 PolarHBondContact O-N 2.62Å
138R45.4Very low57.4Low221 Ų221118.1 Ų118.183%0.83463%0.625SS**Hα-helixtrans-94.1-14176-90.6-178.3172.8155.7-1.7114.2Q135 G136Q135-R138 PolarHBondContact O-N 3.19Å; G136-R138 VanDerWaalsContact C-N 3.33Å; G136-R138 PolarHBondContact O-N 3.12Å
139C34.8Very low54.9Low90 Ų90118 Ų11861%0.60864%0.636SS**SBendtrans-102.57.1179.2-70.40000114.3Q135Q135-C139 PolarHBondContact O-N 3.48Å
140S34.8Very low52.6Low94 Ų94124 Ų12466%0.65766%0.66SS**THydrogen-bonded Turntrans-91.411.1177.164.80000114.7
141I40Very low49.9Very low162 Ų162131 Ų13183%0.83170%0.697SS**THydrogen-bonded Turntrans-114.821.4176-147.1161.3000113.5
142S31.6Very low47.7Very low88 Ų88135.7 Ų135.762%0.61572%0.72SS**SBendtrans-142.544.2177.367.90000111.9
143M34.8Very low45.2Very low172 Ų172139.4 Ų139.485%0.84773%0.73SS**  trans-154.256.3170-67-165.7-179.700110.6
144V36.1Very low43.3Very low141 Ų141142.4 Ų142.486%0.85574%0.741SS**  trans-144.871.5166.5-167.60000108.9
145E36.9Very low41.7Very low190 Ų190146.7 Ų146.789%0.88876%0.756SS**  trans-161.5140.9159.8-121.8169.117800108.2
146E35.1Very low40.5Very low188 Ų188144.8 Ų144.888%0.87975%0.75SS**  trans70.1121.1-173.5-71.1-170.2132.200114.6
147V40.2Very low40.1Very low134 Ų134150.5 Ų150.581%0.81276%0.764SS**  cis-157122.136.1-175.50000108.4
148A34.5Very low39.9Very low97 Ų97148.4 Ų148.480%0.80277%0.769SS**  trans-120.3108.6161.300000107.9
149S43.4Very low40.1Very low102 Ų102144 Ų14471%0.71377%0.769SS**  trans-174.9104.2158.6-81.90000112
150E44.3Very low40.5Very low181 Ų181145.3 Ų145.385%0.84678%0.779SS**  trans57.3108.5133.1-70176.5143.400123.7
151N36.4Very low40.9Very low154 Ų154151.9 Ų151.982%0.82479%0.789SS**  39.2111.6119.1-87.21.5000120.9
152K43.8Very low41.1Very low193 Ų193148.4 Ų148.484%0.83979%0.785SS**  166.8117.7105.6-99.9173175.2171.80113.5
153R37.6Very low41.7Very low220 Ų220150.7 Ų150.783%0.8380%0.795SS**  trans23.9126.8136-53.6-176.5-176.7-166-0.2119.9
154H46.3Very low41.9Very low160 Ų160146.2 Ų146.274%0.74179%0.793SS**  167.8119.8106.9-94.7-81.4000109.2
155K43.9Very low42.1Very low167 Ų167148 Ų14873%0.72679%0.792SS**  54.8128110-90.5-167.6138.2-151.60114
156D41.7Very low42.2Very low94 Ų94144.6 Ų144.650%0.50378%0.784SS.*  cis-179.416237.5-109.7-28.1000109.7
157H47.9Very low42.4Very low164 Ų164146.5 Ų146.576%0.75978%0.783SS**  trans70.6133.8153.2-60.7-37.6000120
158S49Very low42.2Very low105 Ų105145.6 Ų145.673%0.73478%0.783SS**  cis-165.7156.43.7-76.90000109.5
159P49Very low42.6Very low128 Ų128148.5 Ų148.583%0.83178%0.779SS**  trans-107.4150.6-17637.4-27.7000114.1
160S43.7Very low42.4Very low117 Ų117152.9 Ų152.982%0.81879%0.786SS**  trans-156.595.7158.3-162.80000113.9
161R42.5Very low42.2Very low232 Ų232150.6 Ų150.688%0.87578%0.775SS**  45.4110.3119.6-145.8175.1-172.1179.41.2120.7
162A44.5Very low42.6Very low90 Ų90151.1 Ų151.174%0.74477%0.773SS**  trans-171.893132.600000109.5
163T43.4Very low42.8Very low135 Ų135151.3 Ų151.383%0.82877%0.768SS**  42.8109.710656.30000116.5
164G40.5Very low43.5Very low79 Ų79146.5 Ų146.581%0.81476%0.763SS**  trans176.672.7170.300000115.5
165H39.7Very low43.6Very low177 Ų177149.3 Ų149.382%0.81977%0.767SS**  trans10.1121.6157-91.363.7000122.1
166V38.5Very low44.2Very low119 Ų119147.1 Ų147.172%0.72177%0.768SS**  46.5103.8118.8-172.20000118.1
167R39.5Very low44.8Very low228 Ų228148.6 Ų148.686%0.8678%0.78SS**  -174.6122112.3-119.4169.3173.7174.7-3.2112.1H169R167-H169 PolarHBondContact O-N 2.99Å
168S37.1Very low44.9Very low116 Ų116145.4 Ų145.481%0.81178%0.775SS**  trans-57.2114.9162.1169.50000109.8
169H43Very low45.2Very low157 Ų157149.2 Ų149.273%0.72778%0.782SS**  trans-147.8100.1158.1-106.8-76.5000107.4R167 Q171R167-H169 PolarHBondContact O-N 2.99Å; H169-Q171 PolarHBondContact O-N 2.85Å
170F39Very low45.7Very low194 Ų194149 Ų14985%0.85178%0.78SS**  trans-69.281.2169-155.5-93.8000108.1
171Q40.2Very low46.8Very low134 Ų134154.5 Ų154.563%0.62678%0.783SS**  trans-124.586.5162.9-96.8-173.41.700106.8H169 R173H169-Q171 PolarHBondContact O-N 2.85Å; Q171-R173 PolarHBondContact O-N 3.39Å
172E43.8Very low48Very low165 Ų165152.1 Ų152.177%0.77179%0.786SS**  trans-67.481.2165.5-171158.9-164.700108.4V174E172-V174 PolarHBondContact O-N 3.1Å
173R47.5Very low49.1Very low196 Ų196153.5 Ų153.574%0.7478%0.78SS**  trans-77.299.1163.7-86.6-174.5-80.6-178.3-6.9106.8Q171 R175Q171-R173 PolarHBondContact O-N 3.39Å; R173-R175 PolarHBondContact O-N 3.14Å
174V52Low50.3Low120 Ų120149.2 Ų149.273%0.72776%0.756SS**  trans-53.6101.4162.6178.40000107.6E172 V176E172-V174 PolarHBondContact O-N 3.1Å; V174-V176 HydrophobicContact CG1-CG2 4.29Å; V174-V176 PolarHBondContact O-N 2.72Å
175R49.6Very low51.8Low218 Ų218151 Ų15182%0.82375%0.753SS**  trans-79.8103.6167.6-78.3-174176.2170.8-0.5106.8R173 T177R173-R175 PolarHBondContact O-N 3.14Å; R175-T177 VanDerWaalsContact C-N 3.32Å; R175-T177 HydrophobicContact CB-CG2 4.1Å; R175-T177 PolarHBondContact O-N 3.23Å
176V55.9Low53.4Low122 Ų122147.9 Ų147.974%0.73975%0.751SS**  trans-68.195165.7-178.10000107V174 C178V174-V176 HydrophobicContact CG1-CG2 4.29Å; V174-V176 PolarHBondContact O-N 2.72Å; V176-C178 VanDerWaalsContact C-N 3.28Å
177T53.8Low54.9Low124 Ų124148.5 Ų148.576%0.76175%0.746SS**  trans-87.89179.849.80000113.4R175R175-T177 VanDerWaalsContact C-N 3.32Å; R175-T177 HydrophobicContact CB-CG2 4.1Å; R175-T177 PolarHBondContact O-N 3.23Å
178C51.4Low56Low97 Ų97142.9 Ų142.966%0.65573%0.732SS**  trans-113105177.5-60.50000109.1V176V176-C178 VanDerWaalsContact C-N 3.28Å
179Q55.7Low57.5Low186 Ų186144.2 Ų144.287%0.86973%0.73SS**  trans-56.4124.1161.4-86.2175.5-27.100108R181Q179-R181 PolarHBondContact O-N 3.16Å; Q179-R181 VanDerWaalsContact O-N 3.1Å
180P57.6Low58.5Low123 Ų123142.7 Ų142.780%0.79973%0.731SS**  trans-68.6113.7174.428.1-30000107.3L182P180-L182 PolarHBondContact O-N 3.04Å
181R68.8Low59.2Low233 Ų233138.7 Ų138.788%0.87973%0.726SS**  trans-66132.2166-69.5-172.7176.2158.6-0107.3Q179 I183Q179-R181 PolarHBondContact O-N 3.16Å; Q179-R181 VanDerWaalsContact O-N 3.1Å; R181-I183 PolarHBondContact O-N 2.94Å; R181-I183 VanDerWaalsContact O-N 3.12Å
182L67.8Low59.9Low181 Ų181140.6 Ų140.695%0.94874%0.735SS**  trans-56.2115.5171.5-78.7153.9000108.4P180P180-L182 PolarHBondContact O-N 3.04Å
183I66Low60.2Low119 Ų119137 Ų13761%0.6173%0.726SS**  trans-76.4129.2175.3-65.4163.3000107.3R181 E187 I188R181-I183 PolarHBondContact O-N 2.94Å; R181-I183 VanDerWaalsContact O-N 3.12Å; I183-E187 HydrophobicContact CG2-CB 3.85Å; I183-I188 HydrophobicContact CG2-CG1 4.29Å
184S69.9Low60.7Low46 Ų46134.6 Ų134.632%0.32273%0.734SS.*  trans-70.5143.5176.372.60000109.8S186 E187S184-S186 PolarHBondContact O-N 3.36Å; S184-E187 PolarHBondContact O-N 2.66Å; S184-E187 VanDerWaalsContact OG-CD 3.29Å; S184-E187 PolarHBondContact OG-OE1 2.83Å
185P70.6Confident60.7Low115 Ų115133 Ų13375%0.74772%0.724SS**G310 helixtrans-55-22.8-178.5-27.334.6000114.5E187P185-E187 VanDerWaalsContact C-N 3.34Å
186S73.6Confident60.8Low113 Ų113131 Ų13179%0.7972%0.721SS**G310 helixtrans-79-10.9178.9-48.70000114.3S184S184-S186 PolarHBondContact O-N 3.36Å
187E69.9Low60.9Low132 Ų132133.1 Ų133.162%0.61772%0.723SS**G310 helixtrans-95.5-1.5177.9-76.4163.1-135.400113.1I183 S184 P185 N189I183-E187 HydrophobicContact CG2-CB 3.85Å; S184-E187 PolarHBondContact O-N 2.66Å; S184-E187 VanDerWaalsContact OG-CD 3.29Å; S184-E187 PolarHBondContact OG-OE1 2.83Å; P185-E187 VanDerWaalsContact C-N 3.34Å; E187-N189 PolarHBondContact O-N 3.02Å; E187-N189 VanDerWaalsContact O-N 3.11Å
188I63.9Low61Low109 Ų109135.2 Ų135.256%0.55972%0.724SS**  trans-83.288.4176.7-57.2174.2000108.8I183 V190I183-I188 HydrophobicContact CG2-CG1 4.29Å; I188-V190 HydrophobicContact CG2-CG2 3.96Å; I188-V190 PolarHBondContact O-N 3.43Å
189N67.3Low60.9Low145 Ų145133.6 Ų133.678%0.77571%0.714SS**  trans-78.7103.7162.4-78.3-26.9000108.6E187 C191E187-N189 PolarHBondContact O-N 3.02Å; E187-N189 VanDerWaalsContact O-N 3.11Å; N189-C191 PolarHBondContact O-N 3.14Å
190V64.5Low61.2Low124 Ų124135.7 Ų135.775%0.75271%0.714SS**  trans-7285.5169.5-175.10000107.6I188 Q192I188-V190 HydrophobicContact CG2-CG2 3.96Å; I188-V190 PolarHBondContact O-N 3.43Å; V190-Q192 PolarHBondContact O-N 3.2Å
191C53.2Low61.5Low110 Ų110134.7 Ų134.774%0.74371%0.708SS**  trans-63.2105.8162-67.10000106.4N189 P193N189-C191 PolarHBondContact O-N 3.14Å; C191-P193 WeakPolarHBondContact O-CD 2.96Å
192Q54.6Low61.6Low175 Ų175132.1 Ų132.182%0.81871%0.709SS**  trans-54.5114.4171.4-155.2173.423.800106.4V190 T194V190-Q192 PolarHBondContact O-N 3.2Å; Q192-T194 PolarHBondContact O-N 3.11Å; Q192-T194 VanDerWaalsContact O-N 3.08Å
193P51.7Low61.8Low88 Ų88126 Ų12657%0.57168%0.677SS**  trans-68.7121.5-172.631-34.5000106.1C191 V195C191-P193 WeakPolarHBondContact O-CD 2.96Å; P193-V195 HydrophobicContact CB-CG2 3.51Å; P193-V195 HydrophobicContact CG-CG2 3.92Å; P193-V195 PolarHBondContact O-N 3.19Å
194T56.4Low62.5Low147 Ų147125 Ų12590%0.90267%0.673SS**  trans-69.357.117538.40000110.1Q192Q192-T194 PolarHBondContact O-N 3.11Å; Q192-T194 VanDerWaalsContact O-N 3.08Å
195V53.2Low63Low86 Ų86127.6 Ų127.652%0.52169%0.689SS.*  trans-87.3-8.9-177.6-154.60000112.2P193 S199P193-V195 HydrophobicContact CB-CG2 3.51Å; P193-V195 HydrophobicContact CG-CG2 3.92Å; P193-V195 PolarHBondContact O-N 3.19Å; V195-S199 PolarHBondContact O-OG 3.43Å
196F51.7Low63.4Low175 Ų175128 Ų12877%0.76868%0.684SS**  trans-107.74.8-162.2-65.8-68.4000117.3
197Q58.1Low63.7Low167 Ų167125.6 Ų125.678%0.7866%0.661SS**SBendtrans-80.4-21.9-176.6-153.7163.910.100113.8
198H55.9Low64.4Low168 Ų168125 Ų12578%0.77866%0.657SS**SBendtrans-135.32.3-177-54.299000114.6R200H198-R200 PolarHBondContact O-N 3.03Å
199S48.4Very low65.3Low64 Ų64124.4 Ų124.445%0.44866%0.655SS.*  trans-80.6102.9-177.6610000110.9V195V195-S199 PolarHBondContact O-OG 3.43Å
200R63Low66.1Low229 Ų229123.4 Ų123.486%0.86464%0.64SS**  trans-70.6133.6167.3-66.2-172.8-178-175.71.6109.3H198 I202H198-R200 PolarHBondContact O-N 3.03Å; R200-I202 PolarHBondContact O-N 3.11Å
201P63.5Low67.1Low103 Ų103121.5 Ų121.567%0.66962%0.623SS**  trans-62.5133.5-179.924.4-32.2000110.9L203P201-L203 HydrophobicContact CG-CD1 4.38Å; P201-L203 PolarHBondContact O-N 3.05Å; P201-L203 VanDerWaalsContact O-N 3.14Å
202I70.9Confident68.8Low178 Ų178121.5 Ų121.591%0.91361%0.612SS**  trans-77.7100.2173.4-56.9171.7000107.3R200R200-I202 PolarHBondContact O-N 3.11Å
203L71.2Confident70.5Confident52 Ų52117.1 Ų117.127%0.27260%0.595SS.*  trans-83.8145177.6-74.3138.3000110.4P201 E207 Q208P201-L203 HydrophobicContact CG-CD1 4.38Å; P201-L203 PolarHBondContact O-N 3.05Å; P201-L203 VanDerWaalsContact O-N 3.14Å; L203-E207 HydrophobicContact CB-CB 4.4Å; L203-E207 HydrophobicContact CD2-CB 3.86Å; L203-E207 HydrophobicContact CD2-CG 3.48Å; L203-E207 VanDerWaalsContact CD2-CG 3.48Å; L203-Q208 HydrophobicContact CB-CB 4.39Å
204N80.3Confident72.1Confident99 Ų99116.8 Ų116.853%0.52959%0.585SS.*  trans-57.7139.8166.4176.6-23000108.5L206 E207 Q208N204-L206 PolarHBondContact O-N 3Å; N204-L206 PolarHBondContact OD1-N 2.98Å; N204-E207 HydrophobicContact CB-CB 4.4Å; N204-E207 WeakPolarHBondContact O-CA 3.46Å; N204-E207 WeakPolarHBondContact O-CB 3.44Å; N204-E207 PolarHBondContact O-N 2.68Å; N204-Q208 PolarHBondContact O-N 3.34Å
205P80.2Confident73.6Confident100 Ų100113.2 Ų113.265%0.64957%0.566SS**Hα-helixtrans-44-37.2173.7-32.134000115.4L209P205-L209 WeakPolarHBondContact O-CB 3.45Å; P205-L209 PolarHBondContact O-N 3.03Å
206L79.4Confident75.3Confident123 Ų123113.2 Ų113.264%0.64456%0.562SS**Hα-helixtrans-66.5-39.1176.2-175.364.9000112.4N204 R210N204-L206 PolarHBondContact O-N 3Å; N204-L206 PolarHBondContact OD1-N 2.98Å; L206-R210 WeakPolarHBondContact O-CB 3.41Å; L206-R210 PolarHBondContact O-N 2.79Å
207E79.7Confident76.7Confident64 Ų64108.2 Ų108.230%0.29955%0.546SS..Hα-helixtrans-76.2-34.8-179.5-156.563.4-157.200111.4L203 N204 R210 Q211L203-E207 HydrophobicContact CB-CB 4.4Å; L203-E207 HydrophobicContact CD2-CB 3.86Å; L203-E207 HydrophobicContact CD2-CG 3.48Å; L203-E207 VanDerWaalsContact CD2-CG 3.48Å; N204-E207 HydrophobicContact CB-CB 4.4Å; N204-E207 WeakPolarHBondContact O-CA 3.46Å; N204-E207 WeakPolarHBondContact O-CB 3.44Å; N204-E207 PolarHBondContact O-N 2.68Å; E207-R210 PolarHBondContact O-N 2.82Å; E207-R210 IonicContact OE1-CZ 2.71Å; E207-R210 IonicContact OE1-NE 3.35Å; E207-R210 PolarHBondContact OE1-NE 3.5Å; E207-R210 IonicContact OE1-NH2 3.39Å; E207-R210 PolarHBondContact OE1-NH2 2.92Å; E207-R210 IonicContact OE2-NE 3.1Å; E207-Q211 WeakPolarHBondContact O-CG 3.42Å; E207-Q211 PolarHBondContact O-N 2.92Å
208Q84.8Confident78.2Confident118 Ų118107 Ų10755%0.55154%0.538SS*.Hα-helixtrans-62.8-45.6171.1-173177.6600111L203 N204 R210 Q211 E212L203-Q208 HydrophobicContact CB-CB 4.39Å; N204-Q208 PolarHBondContact O-N 3.34Å; Q208-R210 VanDerWaalsContact C-N 3.32Å; Q208-R210 PolarHBondContact O-N 2.71Å; Q208-Q211 PolarHBondContact O-N 3.17Å; Q208-E212 PolarHBondContact O-N 3.27Å
209L83.9Confident79.8Confident98 Ų98101.7 Ų101.751%0.51352%0.523SS..Hα-helixtrans-60.5-43.4174.3-177.364000111.3P205 Q211 E212 D213P205-L209 WeakPolarHBondContact O-CB 3.45Å; P205-L209 PolarHBondContact O-N 3.03Å; L209-Q211 VanDerWaalsContact C-N 3.33Å; L209-Q211 PolarHBondContact O-N 3.42Å; L209-E212 PolarHBondContact O-N 3.02Å; L209-D213 WeakPolarHBondContact O-CB 3.27Å; L209-D213 PolarHBondContact O-N 2.75Å
210R84.3Confident81.7Confident123 Ų123102.8 Ų102.846%0.46452%0.524SS..Hα-helixtrans-60.8-41176.9-166.8-178.980.5108.70.4112.4L206 E207 Q208 Q214L206-R210 WeakPolarHBondContact O-CB 3.41Å; L206-R210 PolarHBondContact O-N 2.79Å; E207-R210 PolarHBondContact O-N 2.82Å; E207-R210 IonicContact OE1-CZ 2.71Å; E207-R210 IonicContact OE1-NE 3.35Å; E207-R210 PolarHBondContact OE1-NE 3.5Å; E207-R210 IonicContact OE1-NH2 3.39Å; E207-R210 PolarHBondContact OE1-NH2 2.92Å; E207-R210 IonicContact OE2-NE 3.1Å; Q208-R210 VanDerWaalsContact C-N 3.32Å; Q208-R210 PolarHBondContact O-N 2.71Å; R210-Q214 WeakPolarHBondContact O-CB 3.47Å; R210-Q214 VanDerWaalsContact O-CG 3.27Å; R210-Q214 WeakPolarHBondContact O-CG 3.46Å; R210-Q214 PolarHBondContact O-N 3.39Å
211Q84.6Confident82.7Confident84 Ų8496 Ų9639%0.39350%0.504SS..Hα-helixtrans-65.2-42.3175.3-76.3-176.42.600111.4E207 Q208 L209 Q214 C215E207-Q211 WeakPolarHBondContact O-CG 3.42Å; E207-Q211 PolarHBondContact O-N 2.92Å; Q208-Q211 PolarHBondContact O-N 3.17Å; L209-Q211 VanDerWaalsContact C-N 3.33Å; L209-Q211 PolarHBondContact O-N 3.42Å; Q211-Q214 WeakPolarHBondContact O-CB 3.3Å; Q211-Q214 PolarHBondContact O-N 2.84Å; Q211-C215 PolarHBondContact O-N 3.36Å; Q211-C215 PolarHBondContact O-SG 3.33Å
212E88.7Confident83.9Confident110 Ų11097.5 Ų97.551%0.51450%0.502SS..Hα-helixtrans-64-45.6177.2-156.263.2-148.900111.4Q208 L209 Q214 C215 I216Q208-E212 PolarHBondContact O-N 3.27Å; L209-E212 PolarHBondContact O-N 3.02Å; E212-Q214 VanDerWaalsContact C-N 3.28Å; E212-Q214 PolarHBondContact O-N 3.09Å; E212-C215 WeakPolarHBondContact O-CB 3.26Å; E212-C215 PolarHBondContact O-N 3.46Å; E212-C215 VanDerWaalsContact O-N 3.09Å; E212-I216 HydrophobicContact CG-CD1 4.4Å; E212-I216 WeakPolarHBondContact O-CG1 3.48Å; E212-I216 PolarHBondContact O-N 3.19Å
213D90Very high84.8Confident84 Ų8494 Ų9445%0.44948%0.481SS..Hα-helixtrans-59-39174.8-75.3-21.1000111.6L209 T217L209-D213 WeakPolarHBondContact O-CB 3.27Å; L209-D213 PolarHBondContact O-N 2.75Å; D213-T217 WeakPolarHBondContact O-CB 3.43Å; D213-T217 PolarHBondContact O-N 2.95Å; D213-T217 PolarHBondContact O-OG1 2.82Å
214Q86.2Confident85.3Confident80 Ų8096.7 Ų96.737%0.37449%0.493SS..Hα-helixtrans-66.6-41174.2-76.9175.516.400112.3R210 Q211 E212 T217 K218R210-Q214 WeakPolarHBondContact O-CB 3.47Å; R210-Q214 VanDerWaalsContact O-CG 3.27Å; R210-Q214 WeakPolarHBondContact O-CG 3.46Å; R210-Q214 PolarHBondContact O-N 3.39Å; Q211-Q214 WeakPolarHBondContact O-CB 3.3Å; Q211-Q214 PolarHBondContact O-N 2.84Å; E212-Q214 VanDerWaalsContact C-N 3.28Å; E212-Q214 PolarHBondContact O-N 3.09Å; Q214-T217 PolarHBondContact O-N 3.02Å; Q214-K218 WeakPolarHBondContact O-CG 3.28Å; Q214-K218 PolarHBondContact O-N 3.42Å
215C87.3Confident85.5Confident72 Ų7298.1 Ų98.149%0.48650%0.495SS..Hα-helixtrans-62.3-46.6174.4-77.60000111.3Q211 E212 T217 K218 A219Q211-C215 PolarHBondContact O-N 3.36Å; Q211-C215 PolarHBondContact O-SG 3.33Å; E212-C215 WeakPolarHBondContact O-CB 3.26Å; E212-C215 PolarHBondContact O-N 3.46Å; E212-C215 VanDerWaalsContact O-N 3.09Å; C215-T217 VanDerWaalsContact C-N 3.32Å; C215-T217 PolarHBondContact O-N 2.99Å; C215-K218 PolarHBondContact O-N 3.31Å; C215-A219 WeakPolarHBondContact O-CB 3.33Å; C215-A219 PolarHBondContact O-N 3.31Å
216I88.8Confident85.9Confident87 Ų8798.8 Ų98.845%0.44649%0.491SS..Hα-helixtrans-59.6-44.4175.5-67.2167000110.4E212 K218 A219 L220E212-I216 HydrophobicContact CG-CD1 4.4Å; E212-I216 WeakPolarHBondContact O-CG1 3.48Å; E212-I216 PolarHBondContact O-N 3.19Å; I216-K218 PolarHBondContact O-N 3.39Å; I216-A219 PolarHBondContact O-N 3.25Å; I216-L220 HydrophobicContact CG2-CD1 4.02Å; I216-L220 HydrophobicContact CG2-CG 4.4Å; I216-L220 WeakPolarHBondContact O-CB 3.3Å; I216-L220 WeakPolarHBondContact O-CG 3.33Å; I216-L220 PolarHBondContact O-N 3.33Å
217T82.2Confident86Confident70 Ų7095.9 Ų95.943%0.42948%0.476SS..Hα-helixtrans-61.7-44.6178.4-58.10000111.4D213 Q214 C215 L220 N221D213-T217 WeakPolarHBondContact O-CB 3.43Å; D213-T217 PolarHBondContact O-N 2.95Å; D213-T217 PolarHBondContact O-OG1 2.82Å; Q214-T217 PolarHBondContact O-N 3.02Å; C215-T217 VanDerWaalsContact C-N 3.32Å; C215-T217 PolarHBondContact O-N 2.99Å; T217-L220 PolarHBondContact O-N 3.47Å; T217-N221 PolarHBondContact O-N 3.38Å; T217-N221 PolarHBondContact O-ND2 2.7Å
218K87.9Confident85.9Confident142 Ų14293.8 Ų93.862%0.61747%0.468SS*.Hα-helixtrans-61.5-46.2175.1-74.4176.8-177.4178.90111.6Q214 C215 I216 L220 N221 E222Q214-K218 WeakPolarHBondContact O-CG 3.28Å; Q214-K218 PolarHBondContact O-N 3.42Å; C215-K218 PolarHBondContact O-N 3.31Å; I216-K218 PolarHBondContact O-N 3.39Å; K218-L220 VanDerWaalsContact C-N 3.33Å; K218-L220 PolarHBondContact O-N 3.19Å; K218-N221 PolarHBondContact O-N 3.5Å; K218-E222 PolarHBondContact O-N 3.28Å
219A90.8Very high85.7Confident56 Ų5694.2 Ų94.246%0.46347%0.474SS..Hα-helixtrans-62.3-38.9178.600000112.4C215 I216 E222 K223C215-A219 WeakPolarHBondContact O-CB 3.33Å; C215-A219 PolarHBondContact O-N 3.31Å; I216-A219 PolarHBondContact O-N 3.25Å; A219-E222 PolarHBondContact O-N 3.36Å; A219-K223 WeakPolarHBondContact O-CB 3.42Å; A219-K223 PolarHBondContact O-N 3.39Å
220L89Confident85.7Confident87 Ų8797.4 Ų97.446%0.45549%0.485SS..Hα-helixtrans-66.4-39.3174.9-74.4174.1000112.4I216 T217 K218 K223 M224I216-L220 HydrophobicContact CG2-CD1 4.02Å; I216-L220 HydrophobicContact CG2-CG 4.4Å; I216-L220 WeakPolarHBondContact O-CB 3.3Å; I216-L220 WeakPolarHBondContact O-CG 3.33Å; I216-L220 PolarHBondContact O-N 3.33Å; T217-L220 PolarHBondContact O-N 3.47Å; K218-L220 VanDerWaalsContact C-N 3.33Å; K218-L220 PolarHBondContact O-N 3.19Å; L220-K223 WeakPolarHBondContact O-CB 3.32Å; L220-K223 PolarHBondContact O-N 3.4Å; L220-M224 PolarHBondContact O-N 3.34Å
221N83.7Confident85.6Confident86 Ų8698.7 Ų98.746%0.4649%0.494SS..Hα-helixtrans-66.1-43175.3-73.7-25000111.7T217 K218 K223 M224 K225T217-N221 PolarHBondContact O-N 3.38Å; T217-N221 PolarHBondContact O-ND2 2.7Å; K218-N221 PolarHBondContact O-N 3.5Å; N221-K223 VanDerWaalsContact C-N 3.34Å; N221-K223 PolarHBondContact O-N 2.88Å; N221-M224 PolarHBondContact O-N 3.27Å; N221-K225 WeakPolarHBondContact O-CB 3.34Å; N221-K225 PolarHBondContact O-N 3.33Å
222E87.6Confident84.7Confident134 Ų13497.6 Ų97.663%0.62651%0.505SS*.Hα-helixtrans-60.6-43.6172.4-81.7-169.3151.200111.8K218 A219 M224 K225 I226K218-E222 PolarHBondContact O-N 3.28Å; A219-E222 PolarHBondContact O-N 3.36Å; E222-M224 VanDerWaalsContact C-N 3.32Å; E222-M224 PolarHBondContact O-N 2.84Å; E222-K225 WeakPolarHBondContact O-CB 3.35Å; E222-K225 PolarHBondContact O-N 2.93Å; E222-K225 VanDerWaalsContact O-N 3.15Å; E222-I226 WeakPolarHBondContact O-CG1 3.49Å; E222-I226 PolarHBondContact O-N 3.44Å
223K89.5Confident83.2Confident106 Ų10696.6 Ų96.646%0.46151%0.507SS..Hα-helixtrans-57.8-45.4174.6-168.9-170.378.41770111.4A219 L220 N221 K225 I226 I227A219-K223 WeakPolarHBondContact O-CB 3.42Å; A219-K223 PolarHBondContact O-N 3.39Å; L220-K223 WeakPolarHBondContact O-CB 3.32Å; L220-K223 PolarHBondContact O-N 3.4Å; N221-K223 VanDerWaalsContact C-N 3.34Å; N221-K223 PolarHBondContact O-N 2.88Å; K223-K225 VanDerWaalsContact C-N 3.33Å; K223-K225 PolarHBondContact O-N 3.38Å; K223-I226 PolarHBondContact O-N 3.35Å; K223-I227 HydrophobicContact CD-CD1 4.46Å; K223-I227 HydrophobicContact CG-CD1 4.06Å; K223-I227 VanDerWaalsContact O-CG1 3.24Å; K223-I227 WeakPolarHBondContact O-CG1 3.25Å; K223-I227 PolarHBondContact O-N 3.03Å
224M81.8Confident81.4Confident107 Ų10798.7 Ų98.753%0.52752%0.523SS..Hα-helixtrans-62.7-39.7176.4-84.1-67.6146.200112L220 N221 E222 I227 S228L220-M224 PolarHBondContact O-N 3.34Å; N221-M224 PolarHBondContact O-N 3.27Å; E222-M224 VanDerWaalsContact C-N 3.32Å; E222-M224 PolarHBondContact O-N 2.84Å; M224-I227 HydrophobicContact CE-CD1 4.12Å; M224-I227 PolarHBondContact O-N 3.09Å; M224-S228 WeakPolarHBondContact O-CB 3.42Å; M224-S228 PolarHBondContact O-N 2.91Å
225K85.2Confident79.7Confident130 Ų130102.5 Ų102.557%0.56554%0.54SS*.Hα-helixtrans-62.6-42.9174.8-166.8177.2-175.6179.20112.2N221 E222 K223 S228 N229N221-K225 WeakPolarHBondContact O-CB 3.34Å; N221-K225 PolarHBondContact O-N 3.33Å; E222-K225 WeakPolarHBondContact O-CB 3.35Å; E222-K225 PolarHBondContact O-N 2.93Å; E222-K225 VanDerWaalsContact O-N 3.15Å; K223-K225 VanDerWaalsContact C-N 3.33Å; K223-K225 PolarHBondContact O-N 3.38Å; K225-S228 PolarHBondContact O-N 3.04Å; K225-N229 WeakPolarHBondContact O-CB 3.47Å; K225-N229 PolarHBondContact O-N 3.48Å
226I87.8Confident77.7Confident113 Ų113107.1 Ų107.158%0.57956%0.555SS**Hα-helixtrans-61.8-45.2174.6-66.7164.6000110.4E222 K223 N229 F230E222-I226 WeakPolarHBondContact O-CG1 3.49Å; E222-I226 PolarHBondContact O-N 3.44Å; K223-I226 PolarHBondContact O-N 3.35Å; I226-N229 PolarHBondContact O-N 3.5Å; I226-F230 WeakPolarHBondContact O-CB 3.3Å; I226-F230 PolarHBondContact O-N 3.1Å
227I82.4Confident75.6Confident62 Ų62109.3 Ų109.332%0.31857%0.572SS.*Hα-helixtrans-61.4-46.4176.7-69.7167.2000110.4K223 M224 N229 F230 F231K223-I227 HydrophobicContact CD-CD1 4.46Å; K223-I227 HydrophobicContact CG-CD1 4.06Å; K223-I227 VanDerWaalsContact O-CG1 3.24Å; K223-I227 WeakPolarHBondContact O-CG1 3.25Å; K223-I227 PolarHBondContact O-N 3.03Å; M224-I227 HydrophobicContact CE-CD1 4.12Å; M224-I227 PolarHBondContact O-N 3.09Å; I227-N229 VanDerWaalsContact C-N 3.32Å; I227-N229 PolarHBondContact O-N 3.13Å; I227-F230 WeakPolarHBondContact O-CB 3.44Å; I227-F230 PolarHBondContact O-N 3Å; I227-F231 HydrophobicContact CG2-CD2 3.67Å; I227-F231 HydrophobicContact CG2-CE2 3.94Å; I227-F231 VanDerWaalsContact O-CD2 3.29Å; I227-F231 WeakPolarHBondContact O-CD2 3.46Å; I227-F231 PolarHBondContact O-N 3.5Å
228S77Confident73.3Confident20 Ų20109.7 Ų109.714%0.1459%0.59CS.*Hα-helixtrans-62.3-40.5179.1-142.70000111.7M224 K225 F230 G232 T233M224-S228 WeakPolarHBondContact O-CB 3.42Å; M224-S228 PolarHBondContact O-N 2.91Å; K225-S228 PolarHBondContact O-N 3.04Å; S228-F230 VanDerWaalsContact C-N 3.32Å; S228-F230 PolarHBondContact O-N 3.33Å; S228-G232 PolarHBondContact O-N 3.44Å; S228-T233 PolarHBondContact O-N 2.88Å; S228-T233 PolarHBondContact OG-O 3.25Å; S228-T233 PolarHBondContact OG-OG1 3.42Å
229N81.8Confident71Confident127 Ų127108.2 Ų108.268%0.67960%0.597SS**Hα-helixtrans-63.7-36.4172.6-71.3-11.5000112.3K225 I226 I227K225-N229 WeakPolarHBondContact O-CB 3.47Å; K225-N229 PolarHBondContact O-N 3.48Å; I226-N229 PolarHBondContact O-N 3.5Å; I227-N229 VanDerWaalsContact C-N 3.32Å; I227-N229 PolarHBondContact O-N 3.13Å
230F83Confident68.6Low166 Ų166110.7 Ų110.773%0.72861%0.611SS**Hα-helixtrans-72.3-39.2-179.9-166.6-90.7000112.5I226 I227 S228I226-F230 WeakPolarHBondContact O-CB 3.3Å; I226-F230 PolarHBondContact O-N 3.1Å; I227-F230 WeakPolarHBondContact O-CB 3.44Å; I227-F230 PolarHBondContact O-N 3Å; S228-F230 VanDerWaalsContact C-N 3.32Å; S228-F230 PolarHBondContact O-N 3.33Å
231F82.1Confident66.3Low149 Ų149112.3 Ų112.365%0.65462%0.624SS**Hα-helixtrans-95.2-0.5-178.3-69.4-77.4000114.3I227 T233I227-F231 HydrophobicContact CG2-CD2 3.67Å; I227-F231 HydrophobicContact CG2-CE2 3.94Å; I227-F231 VanDerWaalsContact O-CD2 3.29Å; I227-F231 WeakPolarHBondContact O-CD2 3.46Å; I227-F231 PolarHBondContact O-N 3.5Å; F231-T233 PolarHBondContact O-N 2.89Å
232G65.3Low64.2Low62 Ų62111.8 Ų111.864%0.63963%0.633SS**THydrogen-bonded Turntrans71.921.7172.400000115.1S228 T234S228-G232 PolarHBondContact O-N 3.44Å; G232-T234 PolarHBondContact O-N 3.28Å
233T57.5Low62.2Low89 Ų89111.8 Ų111.855%0.54664%0.641SS.*  trans-87.5101.5175.446.60000109.9S228 F231 E235S228-T233 PolarHBondContact O-N 2.88Å; S228-T233 PolarHBondContact OG-O 3.25Å; S228-T233 PolarHBondContact OG-OG1 3.42Å; F231-T233 PolarHBondContact O-N 2.89Å; T233-E235 PolarHBondContact O-N 3.01Å
234T51.9Low60.2Low128 Ų128111.5 Ų111.579%0.78565%0.653SS**  trans-64.9119.9174.8-480000110G232 E236G232-T234 PolarHBondContact O-N 3.28Å; T234-E236 PolarHBondContact O-N 3.29Å; T234-E236 VanDerWaalsContact O-N 3.11Å
235E51.1Low58.5Low159 Ų159111.6 Ų111.674%0.74365%0.652SS**  trans-67.1101.3170-67.6-168.115600109.5T233T233-E235 PolarHBondContact O-N 3.01Å
236E46.1Very low57.1Low169 Ų169107 Ų10779%0.7964%0.642SS**  trans-109134.7155-70.4-150.5164.300109.8T234T234-E236 PolarHBondContact O-N 3.29Å; T234-E236 VanDerWaalsContact O-N 3.11Å
237V43.1Very low56Low134 Ų134110.1 Ų110.181%0.81265%0.651SS**  trans85.284.7163.5-157.60000117
238G35.7Very low55.2Low78 Ų78109 Ų10980%0.80465%0.649SS**  44.788.1111.900000117.9
239S39Very low54.9Low110 Ų110110.5 Ų110.577%0.76966%0.659SS**  trans-147.7113.6144.1172.60000108V241S239-V241 PolarHBondContact O-N 2.95Å
240S39.6Very low54.6Low108 Ų108110.3 Ų110.376%0.75565%0.648SS**  trans-30.4126.2175.1-169.50000112.9A242S240-A242 PolarHBondContact O-N 2.85Å
241V40.3Very low54.6Low121 Ų121107.4 Ų107.473%0.73364%0.637SS**  trans-62.770.3167-178.10000108.2S239S239-V241 PolarHBondContact O-N 2.95Å
242A40Very low54.8Low76 Ų76100.8 Ų100.863%0.62861%0.61SS**  trans-82.2122156.100000105.4S240 S244S240-A242 PolarHBondContact O-N 2.85Å; A242-S244 PolarHBondContact O-N 3.37Å
243V46.1Very low55.8Low134 Ų134102.8 Ų102.881%0.81260%0.602SS**  trans-14.3116.7168.5179.40000111.1E245V243-E245 PolarHBondContact O-N 3.28Å
244S48.1Very low57.3Low100 Ų100104.5 Ų104.570%0.69960%0.604SS**  trans-52.985.5179.8163.30000110.9A242 G246A242-S244 PolarHBondContact O-N 3.37Å; S244-G246 PolarHBondContact O-N 3.37Å
245E45.4Very low59.1Low109 Ų109100 Ų10051%0.50958%0.575SS.*  trans-55.9113155.9-72.9-176.3165.500105.1V243 R250V243-E245 PolarHBondContact O-N 3.28Å; E245-R250 PolarHBondContact O-NE 3.07Å
246G56.4Low61Low34 Ų3497 Ų9735%0.35156%0.564SS.*  trans-49.8145.2-174.100000110.4S244 S248 C249 R250S244-G246 PolarHBondContact O-N 3.37Å; G246-S248 PolarHBondContact O-N 3.32Å; G246-C249 WeakPolarHBondContact O-CB 3.44Å; G246-C249 PolarHBondContact O-N 2.92Å; G246-R250 PolarHBondContact O-N 3.34Å
247K64.8Low63.2Low177 Ų17792.9 Ų92.977%0.7755%0.546SS*.Hα-helixtrans-45.2-38.6-177.6-72.8176.4174.1178.40112.7C249 R250 E251K247-C249 PolarHBondContact O-N 2.67Å; K247-R250 PolarHBondContact O-N 2.93Å; K247-E251 WeakPolarHBondContact O-CG 3.3Å; K247-E251 PolarHBondContact O-N 2.93Å; K247-E251 VanDerWaalsContact O-N 3.09Å
248S65.4Low65.4Low39 Ų3989 Ų8927%0.27352%0.523SS..Hα-helixtrans-64-31.5177.155.80000114.9G246 A252G246-S248 PolarHBondContact O-N 3.32Å; S248-A252 WeakPolarHBondContact O-CB 3.43Å; S248-A252 PolarHBondContact O-N 3.36Å; S248-A252 VanDerWaalsContact O-N 3.09Å
249C69.5Low68.1Low52 Ų5285.5 Ų85.535%0.35149%0.487SS..Hα-helixtrans-71.6-43.3177.5-167.90000111.2G246 K247 A252 Q253 M327G246-C249 WeakPolarHBondContact O-CB 3.44Å; G246-C249 PolarHBondContact O-N 2.92Å; K247-C249 PolarHBondContact O-N 2.67Å; C249-A252 PolarHBondContact O-N 2.97Å; C249-Q253 WeakPolarHBondContact O-CB 3.46Å; C249-Q253 PolarHBondContact O-N 3.49Å; C249-M327 HydrophobicContact CB-CE 4.49Å
250R77Confident70.7Confident123 Ų12384 Ų8446%0.46447%0.473SS..Hα-helixtrans-64.9-43.1176.6-65.8-169.4-136.2-159.41.2111.7E245 G246 K247 A252 Q253 E254E245-R250 PolarHBondContact O-NE 3.07Å; G246-R250 PolarHBondContact O-N 3.34Å; K247-R250 PolarHBondContact O-N 2.93Å; R250-A252 PolarHBondContact O-N 3.48Å; R250-Q253 WeakPolarHBondContact O-CB 3.41Å; R250-Q253 PolarHBondContact O-N 3.44Å; R250-E254 WeakPolarHBondContact O-CG 3.42Å; R250-E254 PolarHBondContact O-N 3.5Å
251E81.9Confident73.2Confident105 Ų10585 Ų8549%0.49146%0.463SS..Hα-helixtrans-59.3-45.5175.1-73.1168.8-166.200111.6K247 Q253 E254 L255K247-E251 WeakPolarHBondContact O-CG 3.3Å; K247-E251 PolarHBondContact O-N 2.93Å; K247-E251 VanDerWaalsContact O-N 3.09Å; E251-Q253 VanDerWaalsContact C-N 3.33Å; E251-Q253 PolarHBondContact O-N 3.05Å; E251-E254 PolarHBondContact O-N 3.42Å; E251-L255 WeakPolarHBondContact O-CB 3.45Å; E251-L255 VanDerWaalsContact O-CG 3.28Å; E251-L255 WeakPolarHBondContact O-CG 3.5Å; E251-L255 PolarHBondContact O-N 2.97Å
252A86.3Confident75.6Confident10 Ų1080.9 Ų80.98%0.08344%0.436CS..Hα-helixtrans-63.7-37.417600000112.5S248 C249 R250 L255 L256 L320 M327S248-A252 WeakPolarHBondContact O-CB 3.43Å; S248-A252 PolarHBondContact O-N 3.36Å; S248-A252 VanDerWaalsContact O-N 3.09Å; C249-A252 PolarHBondContact O-N 2.97Å; R250-A252 PolarHBondContact O-N 3.48Å; A252-L255 PolarHBondContact O-N 3.43Å; A252-L256 WeakPolarHBondContact O-CB 3.32Å; A252-L256 PolarHBondContact O-N 3.36Å; A252-L320 HydrophobicContact CB-CD1 4.04Å; A252-L320 WeakPolarHBondContact O-CD1 3.41Å; A252-M327 HydrophobicContact CB-CE 4.22Å
253Q87.1Confident78.1Confident103 Ų10380.2 Ų80.248%0.48142%0.424SS..Hα-helixtrans-66.1-43.2176.4-171.4-177.430.500111.9C249 R250 E251 L256 I257C249-Q253 WeakPolarHBondContact O-CB 3.46Å; C249-Q253 PolarHBondContact O-N 3.49Å; R250-Q253 WeakPolarHBondContact O-CB 3.41Å; R250-Q253 PolarHBondContact O-N 3.44Å; E251-Q253 VanDerWaalsContact C-N 3.33Å; E251-Q253 PolarHBondContact O-N 3.05Å; Q253-L256 WeakPolarHBondContact O-CB 3.38Å; Q253-L256 PolarHBondContact O-N 2.94Å; Q253-I257 HydrophobicContact CG-CD1 4.28Å; Q253-I257 WeakPolarHBondContact O-CG1 3.47Å; Q253-I257 PolarHBondContact O-N 3.41Å
254E88.5Confident80.3Confident125 Ų12577.8 Ų77.858%0.58441%0.407SS*.Hα-helixtrans-63.6-41.2176.1-73.7178.6-175.400111.8R250 E251 I257 T258R250-E254 WeakPolarHBondContact O-CG 3.42Å; R250-E254 PolarHBondContact O-N 3.5Å; E251-E254 PolarHBondContact O-N 3.42Å; E254-I257 PolarHBondContact O-N 2.91Å; E254-T258 WeakPolarHBondContact O-CB 3.42Å; E254-T258 PolarHBondContact O-N 2.86Å; E254-T258 PolarHBondContact O-OG1 3.05Å
255L90.6Very high82.3Confident34 Ų3480.1 Ų80.118%0.17840%0.4CS..Hα-helixtrans-62.3-43.2173.4-71.7170.3000111.4E251 A252 I257 T258 A259 C316 S319 L320E251-L255 WeakPolarHBondContact O-CB 3.45Å; E251-L255 VanDerWaalsContact O-CG 3.28Å; E251-L255 WeakPolarHBondContact O-CG 3.5Å; E251-L255 PolarHBondContact O-N 2.97Å; A252-L255 PolarHBondContact O-N 3.43Å; L255-I257 PolarHBondContact O-N 2.88Å; L255-T258 PolarHBondContact O-N 3.38Å; L255-A259 WeakPolarHBondContact O-CB 3.49Å; L255-A259 PolarHBondContact O-N 2.65Å; L255-C316 PolarHBondContact O-SG 3.24Å; L255-S319 WeakPolarHBondContact CD1-OG 3.4Å; L255-L320 HydrophobicContact CB-CB 4.21Å; L255-L320 HydrophobicContact CB-CD1 4.07Å; L255-L320 HydrophobicContact CD1-CB 4.48Å
256L91Very high84.4Confident97 Ų9777 Ų7751%0.50839%0.387SS..Hα-helixtrans-60.6-47.4176.1179.364.4000112A252 Q253 T258 A259 V260 L320A252-L256 WeakPolarHBondContact O-CB 3.32Å; A252-L256 PolarHBondContact O-N 3.36Å; Q253-L256 WeakPolarHBondContact O-CB 3.38Å; Q253-L256 PolarHBondContact O-N 2.94Å; L256-T258 PolarHBondContact O-N 3.34Å; L256-A259 PolarHBondContact O-N 2.9Å; L256-V260 WeakPolarHBondContact O-CG2 3.07Å; L256-V260 PolarHBondContact O-N 3.45Å; L256-L320 HydrophobicContact CD1-CD2 4.44Å
257I91.1Very high86Confident82 Ų8280 Ų8042%0.42139%0.394SS..Hα-helixtrans-58.8-41.6176.4-68.9165.9000110.2Q253 E254 L255 V260 K261Q253-I257 HydrophobicContact CG-CD1 4.28Å; Q253-I257 WeakPolarHBondContact O-CG1 3.47Å; Q253-I257 PolarHBondContact O-N 3.41Å; E254-I257 PolarHBondContact O-N 2.91Å; L255-I257 PolarHBondContact O-N 2.88Å; I257-V260 PolarHBondContact O-N 3.31Å; I257-K261 HydrophobicContact CG2-CD 4.29Å; I257-K261 WeakPolarHBondContact O-CG 3.47Å; I257-K261 PolarHBondContact O-N 3.42Å
258T90.5Very high87.1Confident51 Ų5177.3 Ų77.331%0.31339%0.385SS..Hα-helixtrans-67-40.6179.3-58.50000111.7E254 L255 L256 V260 K261 H262E254-T258 WeakPolarHBondContact O-CB 3.42Å; E254-T258 PolarHBondContact O-N 2.86Å; E254-T258 PolarHBondContact O-OG1 3.05Å; L255-T258 PolarHBondContact O-N 3.38Å; L256-T258 PolarHBondContact O-N 3.34Å; T258-V260 PolarHBondContact O-N 3.24Å; T258-K261 WeakPolarHBondContact O-CB 3.33Å; T258-K261 PolarHBondContact O-N 3.23Å; T258-H262 VanDerWaalsContact CG2-CE1 3.41Å; T258-H262 WeakPolarHBondContact CG2-CE1 3.42Å; T258-H262 PolarHBondContact O-N 3.39Å; T258-H262 PolarHBondContact O-ND1 2.87Å
259A91.8Very high88.1Confident6 Ų675.8 Ų75.85%0.0537%0.374CS..Hα-helixtrans-62.6-42.4175.700000112L255 L256 H262 T263 L317L255-A259 WeakPolarHBondContact O-CB 3.49Å; L255-A259 PolarHBondContact O-N 2.65Å; L256-A259 PolarHBondContact O-N 2.9Å; A259-H262 PolarHBondContact O-N 3.03Å; A259-T263 PolarHBondContact O-N 3.38Å; A259-T263 PolarHBondContact O-OG1 3.48Å; A259-L317 HydrophobicContact CB-CD2 4.01Å
260V93.2Very high88.9Confident78 Ų7876.3 Ų76.347%0.47337%0.373SS..Hα-helixtrans-62.6-44175173.90000110.8L256 I257 T258 H262 T263 N264L256-V260 WeakPolarHBondContact O-CG2 3.07Å; L256-V260 PolarHBondContact O-N 3.45Å; I257-V260 PolarHBondContact O-N 3.31Å; T258-V260 PolarHBondContact O-N 3.24Å; V260-H262 PolarHBondContact O-N 3.29Å; V260-T263 PolarHBondContact O-N 3.36Å; V260-N264 PolarHBondContact O-N 3.03Å
261K92.3Very high89.2Confident129 Ų12974 Ų7456%0.56137%0.37SS*.Hα-helixtrans-58.4-44.9175.9-75.5174.9-179.8177.70112.2I257 T258 N264 R265I257-K261 HydrophobicContact CG2-CD 4.29Å; I257-K261 WeakPolarHBondContact O-CG 3.47Å; I257-K261 PolarHBondContact O-N 3.42Å; T258-K261 WeakPolarHBondContact O-CB 3.33Å; T258-K261 PolarHBondContact O-N 3.23Å; K261-N264 PolarHBondContact O-N 3.4Å; K261-R265 WeakPolarHBondContact O-CG 3.47Å; K261-R265 PolarHBondContact O-N 3.42Å
262H90.6Very high89.1Confident34 Ų3473 Ų7316%0.15737%0.37CS..Hα-helixtrans-65-39.2177.7-72.692.4000112.3T258 A259 V260 N264 R265 L266 I309 Q313T258-H262 VanDerWaalsContact CG2-CE1 3.41Å; T258-H262 WeakPolarHBondContact CG2-CE1 3.42Å; T258-H262 PolarHBondContact O-N 3.39Å; T258-H262 PolarHBondContact O-ND1 2.87Å; A259-H262 PolarHBondContact O-N 3.03Å; V260-H262 PolarHBondContact O-N 3.29Å; H262-N264 VanDerWaalsContact C-N 3.35Å; H262-N264 PolarHBondContact O-N 3.27Å; H262-R265 PolarHBondContact O-N 2.75Å; H262-L266 PolarHBondContact O-N 2.88Å; H262-I309 WeakPolarHBondContact O-CG2 3.46Å; H262-Q313 HydrophobicContact CB-CB 4.01Å; H262-Q313 HydrophobicContact CB-CG 4.41Å
263T92.2Very high88.3Confident62 Ų6275.4 Ų75.438%0.3838%0.38SS..Hα-helixtrans-61.8-43.1175.9-51.90000111.3A259 V260 L266 L267 Q313A259-T263 PolarHBondContact O-N 3.38Å; A259-T263 PolarHBondContact O-OG1 3.48Å; V260-T263 PolarHBondContact O-N 3.36Å; T263-L266 WeakPolarHBondContact O-CB 3.37Å; T263-L266 PolarHBondContact O-N 3.29Å; T263-L267 PolarHBondContact O-N 2.89Å; T263-Q313 PolarHBondContact OG1-NE2 3.26Å
264N92.7Very high87.5Confident83 Ų8373.8 Ų73.844%0.44438%0.377SS..Hα-helixtrans-64.1-41.5175.1-71.8-18.2000112V260 K261 H262 L266 L267 E268V260-N264 PolarHBondContact O-N 3.03Å; K261-N264 PolarHBondContact O-N 3.4Å; H262-N264 VanDerWaalsContact C-N 3.35Å; H262-N264 PolarHBondContact O-N 3.27Å; N264-L266 VanDerWaalsContact C-N 3.31Å; N264-L266 PolarHBondContact O-N 2.92Å; N264-L267 PolarHBondContact O-N 2.92Å; N264-E268 WeakPolarHBondContact O-CG 3.33Å; N264-E268 PolarHBondContact O-N 3.42Å
265R90.5Very high86.5Confident150 Ų15076.8 Ų76.857%0.56638%0.383SS*.Hα-helixtrans-62.8-36.8174.9-70.6-179.879.2179.65.9112.4K261 H262 A269 I309K261-R265 WeakPolarHBondContact O-CG 3.47Å; K261-R265 PolarHBondContact O-N 3.42Å; H262-R265 PolarHBondContact O-N 2.75Å; R265-A269 WeakPolarHBondContact O-CB 3.46Å; R265-A269 PolarHBondContact O-N 3.27Å; R265-I309 HydrophobicContact CB-CG2 4.35Å
266L89.5Confident85Confident42 Ų4281.8 Ų81.822%0.2241%0.409CS..Hα-helixtrans-63.9-46.2175-172.870.5000110.5H262 T263 N264 A269 I270 L306 I309H262-L266 PolarHBondContact O-N 2.88Å; T263-L266 WeakPolarHBondContact O-CB 3.37Å; T263-L266 PolarHBondContact O-N 3.29Å; N264-L266 VanDerWaalsContact C-N 3.31Å; N264-L266 PolarHBondContact O-N 2.92Å; L266-A269 PolarHBondContact O-N 3.1Å; L266-I270 HydrophobicContact CG-CD1 4.22Å; L266-I270 WeakPolarHBondContact O-CG1 3.34Å; L266-I270 PolarHBondContact O-N 2.74Å; L266-L306 HydrophobicContact CD1-CD2 3.69Å; L266-I309 HydrophobicContact CB-CG2 3.87Å; L266-I309 HydrophobicContact CD1-CB 4.32Å; L266-I309 HydrophobicContact CD1-CG2 4.12Å
267L89.6Confident83.6Confident97 Ų9782.7 Ų82.751%0.50842%0.419SS..Hα-helixtrans-61.9-44177.2-175.963.1000111.9T263 N264 I270 N271T263-L267 PolarHBondContact O-N 2.89Å; N264-L267 PolarHBondContact O-N 2.92Å; L267-I270 PolarHBondContact O-N 2.65Å; L267-N271 VanDerWaalsContact O-CB 3.3Å; L267-N271 WeakPolarHBondContact O-CB 3.49Å; L267-N271 PolarHBondContact O-N 3.32Å; L267-N271 PolarHBondContact O-ND2 2.9Å
268E87.6Confident81.6Confident122 Ų12286.7 Ų86.757%0.5744%0.435SS*.Hα-helixtrans-60.5-46.4174.3-75.6172.1-169.100112N264 I270 N271 V272N264-E268 WeakPolarHBondContact O-CG 3.33Å; N264-E268 PolarHBondContact O-N 3.42Å; E268-I270 VanDerWaalsContact C-N 3.32Å; E268-I270 PolarHBondContact O-N 2.99Å; E268-N271 PolarHBondContact O-N 2.94Å; E268-V272 WeakPolarHBondContact O-CB 3.27Å; E268-V272 VanDerWaalsContact O-CG2 3.27Å; E268-V272 WeakPolarHBondContact O-CG2 3.43Å; E268-V272 PolarHBondContact O-N 3.42Å
269A86.4Confident79.9Confident6 Ų688.8 Ų88.85%0.0545%0.448CS..Hα-helixtrans-61.4-40.8179.200000111.8R265 L266 H273 L306 I309R265-A269 WeakPolarHBondContact O-CB 3.46Å; R265-A269 PolarHBondContact O-N 3.27Å; L266-A269 PolarHBondContact O-N 3.1Å; A269-H273 PolarHBondContact O-ND1 2.86Å; A269-L306 HydrophobicContact CB-CD2 4.03Å; A269-I309 HydrophobicContact CB-CD1 3.94Å
270I85.8Confident77.8Confident64 Ų6497.5 Ų97.533%0.32849%0.488SS..Hα-helixtrans-63.8-53.6173.6-66.7166.1000109.6L266 L267 E268 V272 H273 T274 L306L266-I270 HydrophobicContact CG-CD1 4.22Å; L266-I270 WeakPolarHBondContact O-CG1 3.34Å; L266-I270 PolarHBondContact O-N 2.74Å; L267-I270 PolarHBondContact O-N 2.65Å; E268-I270 VanDerWaalsContact C-N 3.32Å; E268-I270 PolarHBondContact O-N 2.99Å; I270-V272 VanDerWaalsContact C-N 3.32Å; I270-V272 PolarHBondContact O-N 3.42Å; I270-H273 PolarHBondContact O-N 3Å; I270-H273 VanDerWaalsContact O-N 3.1Å; I270-T274 HydrophobicContact CG2-CG2 4.22Å; I270-T274 WeakPolarHBondContact O-CG2 3.35Å; I270-T274 PolarHBondContact O-N 3.23Å; I270-T274 PolarHBondContact O-OG1 3.02Å; I270-L306 HydrophobicContact CG1-CD2 3.91Å
271N83.7Confident75.5Confident74 Ų74101.1 Ų101.140%0.39650%0.504SS..Hα-helixtrans-58.1-39.8-176.7-74.4-18.1000112.9L267 E268 H273 T274 R275L267-N271 VanDerWaalsContact O-CB 3.3Å; L267-N271 WeakPolarHBondContact O-CB 3.49Å; L267-N271 PolarHBondContact O-N 3.32Å; L267-N271 PolarHBondContact O-ND2 2.9Å; E268-N271 PolarHBondContact O-N 2.94Å; N271-H273 VanDerWaalsContact C-N 3.32Å; N271-H273 PolarHBondContact O-N 3.23Å; N271-T274 WeakPolarHBondContact CA-OG1 3.48Å; N271-T274 PolarHBondContact O-N 3.48Å; N271-T274 PolarHBondContact O-OG1 3.24Å; N271-R275 VanDerWaalsContact O-CG 3.25Å; N271-R275 WeakPolarHBondContact O-CG 3.3Å; N271-R275 PolarHBondContact O-N 3.35Å
272V79.1Confident73.5Confident84 Ų8498 Ų9851%0.50951%0.509SS..Hα-helixtrans-61.1-40.8178.3167.20000111.6E268 I270E268-V272 WeakPolarHBondContact O-CB 3.27Å; E268-V272 VanDerWaalsContact O-CG2 3.27Å; E268-V272 WeakPolarHBondContact O-CG2 3.43Å; E268-V272 PolarHBondContact O-N 3.42Å; I270-V272 VanDerWaalsContact C-N 3.32Å; I270-V272 PolarHBondContact O-N 3.42Å
273H70.4Confident71.2Confident60 Ų60105.9 Ų105.928%0.27854%0.543SS..Hα-helixtrans-89.5-10-175.6-63.388.8000113.2A269 I270 N271 V301 P302A269-H273 PolarHBondContact O-ND1 2.86Å; I270-H273 PolarHBondContact O-N 3Å; I270-H273 VanDerWaalsContact O-N 3.1Å; N271-H273 VanDerWaalsContact C-N 3.32Å; N271-H273 PolarHBondContact O-N 3.23Å; H273-V301 HydrophobicContact CB-CB 4.13Å; H273-V301 HydrophobicContact CB-CG1 3.96Å; H273-V301 HydrophobicContact CB-CG2 3.85Å; H273-P302 WeakPolarHBondContact CD2-CD 3.5Å; H273-P302 WeakPolarHBondContact NE2-CD 3.46Å; H273-P302 WeakPolarHBondContact NE2-CG 3.48Å
274T71.4Confident69Low69 Ų69110.5 Ų110.542%0.42357%0.565SS.*Hα-helixtrans-106.52.9172.9610000113.5I270 N271 L276 V301I270-T274 HydrophobicContact CG2-CG2 4.22Å; I270-T274 WeakPolarHBondContact O-CG2 3.35Å; I270-T274 PolarHBondContact O-N 3.23Å; I270-T274 PolarHBondContact O-OG1 3.02Å; N271-T274 WeakPolarHBondContact CA-OG1 3.48Å; N271-T274 PolarHBondContact O-N 3.48Å; N271-T274 PolarHBondContact O-OG1 3.24Å; T274-L276 PolarHBondContact O-N 2.94Å; T274-L276 VanDerWaalsContact O-N 3.13Å; T274-V301 HydrophobicContact CG2-CG2 4.48Å
275R66.5Low66.9Low188 Ų188115.3 Ų115.371%0.70959%0.585SS**  trans-63.7111.5175.4-94.5168.8-167.2-157.23.9110.2N271N271-R275 VanDerWaalsContact O-CG 3.25Å; N271-R275 WeakPolarHBondContact O-CG 3.3Å; N271-R275 PolarHBondContact O-N 3.35Å
276L59.4Low64.8Low139 Ų139115.4 Ų115.473%0.72860%0.597SS**PPolyproline II helixtrans-81.3121.6162.2-64.6172.3000107.6T274 L293T274-L276 PolarHBondContact O-N 2.94Å; T274-L276 VanDerWaalsContact O-N 3.13Å; L276-L293 HydrophobicContact CD2-CD1 4.38Å
277V60.4Low62.6Low117 Ų117122.5 Ų122.571%0.70963%0.629SS**PPolyproline II helixtrans-92.1121.5173.4178.40000107.7V279V277-V279 PolarHBondContact O-N 3.34Å
278E50.7Low60.4Low165 Ų165126.2 Ų126.277%0.77164%0.644SS**PPolyproline II helixtrans-69.8121.5167.9-70.2-177.1165.500108.7
279V53.5Low58.5Low95 Ų95126 Ų12658%0.57665%0.65SS**  trans-89.5107.2169.7178.90000106.8V277 N281V277-V279 PolarHBondContact O-N 3.34Å; V279-N281 PolarHBondContact O-N 3.41Å
280E49.2Very low56.3Low189 Ų189136.1 Ų136.188%0.88369%0.687SS**  trans-66.3100.7167.2-80.3-167.4154.200108.7G282E280-G282 PolarHBondContact O-N 3.4Å; E280-G282 VanDerWaalsContact O-N 3.09Å
281N43.8Very low54.4Low154 Ų154141.5 Ų141.582%0.82471%0.705SS**  trans-72.5101.8165.5-112.53000107.9V279 K283V279-N281 PolarHBondContact O-N 3.41Å; N281-K283 PolarHBondContact O-N 3.35Å
282G49.7Very low52.4Low65 Ų65141.5 Ų141.567%0.6771%0.711SS**  trans-56.9118173.100000111E280 N284E280-G282 PolarHBondContact O-N 3.4Å; E280-G282 VanDerWaalsContact O-N 3.09Å; G282-N284 PolarHBondContact O-N 2.94Å
283K42.9Very low50.8Low199 Ų199142.1 Ų142.187%0.86571%0.711SS**SBendtrans42.377154.2-59.1-179.2-179.1179.10114.8N281N281-K283 PolarHBondContact O-N 3.35Å
284N47.2Very low49.8Very low158 Ų158145 Ų14585%0.84573%0.732SS**  trans-138.9122.6141.9-82.1-36.5000107.8G282G282-N284 PolarHBondContact O-N 2.94Å
285E48.1Very low48.5Very low185 Ų185151 Ų15186%0.86476%0.756SS**SBendtrans-66133.5-175.9-60.1171.1177.600109
286N45.2Very low47.5Very low152 Ų152146.2 Ų146.281%0.81375%0.751SS**SBendtrans73.787.8-176.3-47-40.4000114.9
287E43.7Very low46.7Very low191 Ų191148.4 Ų148.489%0.89376%0.757SS**  trans-178.1148.3130.8-103.4165.1168.400111.4
288Q43.6Very low46.2Very low174 Ų174152.5 Ų152.581%0.81376%0.76SS**  trans-30.4138.9179.9-72.1163-20.900115.5R290Q288-R290 PolarHBondContact O-N 3.4Å
289V47.1Very low46.3Very low117 Ų117148.9 Ų148.971%0.70975%0.751SS**  trans-55.492161-179.90000107.9Y291V289-Y291 HydrophobicContact CG1-CD2 4.47Å; V289-Y291 HydrophobicContact CG1-CE1 4.28Å; V289-Y291 HydrophobicContact CG1-CE2 3.99Å
290R41Very low46.7Very low220 Ų220148.6 Ų148.683%0.8375%0.753SS**  trans-92.8102.5176.2-164.3174.9-166.5141.51.5106.7Q288 S292Q288-R290 PolarHBondContact O-N 3.4Å; R290-S292 VanDerWaalsContact C-N 3.27Å; R290-S292 PolarHBondContact O-N 2.92Å
291Y45.3Very low47.4Very low177 Ų177140.8 Ų140.869%0.69472%0.718SS**  trans-61.494.4165.3-59.6-81.6000107.9V289 L293V289-Y291 HydrophobicContact CG1-CD2 4.47Å; V289-Y291 HydrophobicContact CG1-CE1 4.28Å; V289-Y291 HydrophobicContact CG1-CE2 3.99Å; Y291-L293 PolarHBondContact O-N 3.46Å; Y291-L293 VanDerWaalsContact O-N 3.1Å
292S41.4Very low48.9Very low74 Ų74135.8 Ų135.852%0.51769%0.694SS.*  trans-75.897.2168.354.40000107.2R290 V294R290-S292 VanDerWaalsContact C-N 3.27Å; R290-S292 PolarHBondContact O-N 2.92Å; S292-V294 PolarHBondContact O-N 3.32Å
293L46.3Very low50.3Low97 Ų97137 Ų13751%0.50869%0.691SS.*  trans-52.4113.2158.5-169.477.1000105.7L276 Y291 Q295L276-L293 HydrophobicContact CD2-CD1 4.38Å; Y291-L293 PolarHBondContact O-N 3.46Å; Y291-L293 VanDerWaalsContact O-N 3.1Å; L293-Q295 PolarHBondContact O-N 3.28Å
294V48.4Very low52.3Low121 Ų121131.4 Ų131.473%0.73368%0.677SS**  trans-47.4117.2165.3173.70000104.7S292 S296S292-V294 PolarHBondContact O-N 3.32Å; V294-S296 PolarHBondContact O-N 2.87Å
295Q45Very low54.1Low195 Ų195127.7 Ų127.791%0.91165%0.654SS**SBendtrans-64.271.8-179.1-73.1176.5-33.200109.2L293L293-Q295 PolarHBondContact O-N 3.28Å
296S44.9Very low56Low87 Ų87120.7 Ų120.761%0.60862%0.623SS**SBendtrans-109.5108.1146.5-168.20000103V294 R298V294-S296 PolarHBondContact O-N 2.87Å; S296-R298 PolarHBondContact O-N 3.37Å
297E42.7Very low58.1Low185 Ų185117.9 Ų117.986%0.86461%0.611SS**SBendtrans-53105.6-177.6-69.7-179.615100109.4
298R49.9Very low60.3Low203 Ų203115.5 Ų115.577%0.76660%0.6SS**SBendtrans80128.2-179-49.8168.4-177.1172.31.6113.3S296 S300S296-R298 PolarHBondContact O-N 3.37Å; R298-S300 PolarHBondContact O-N 3.45Å
299P54.1Low62.5Low89 Ų89108 Ų10858%0.57857%0.565SS**  trans-63.987.3163.626.5-30.1000107.9
300S61Low64.6Low88 Ų88104.5 Ų104.562%0.61555%0.549SS*.  trans-98.9103-177.3-175.20000107.6R298R298-S300 PolarHBondContact O-N 3.45Å
301V65.1Low67Low26 Ų2696.6 Ų96.616%0.15853%0.531CS..  trans-63129170.8-164.30000108H273 T274 C303 L306H273-V301 HydrophobicContact CB-CB 4.13Å; H273-V301 HydrophobicContact CB-CG1 3.96Å; H273-V301 HydrophobicContact CB-CG2 3.85Å; T274-V301 HydrophobicContact CG2-CG2 4.48Å; V301-C303 PolarHBondContact O-N 3Å; V301-L306 HydrophobicContact CB-CD1 3.84Å; V301-L306 HydrophobicContact CB-CG 4.48Å; V301-L306 HydrophobicContact CG1-CD1 3.49Å; V301-L306 VanDerWaalsContact CG1-CD1 3.49Å; V301-L306 HydrophobicContact CG1-CD2 3.88Å; V301-L306 HydrophobicContact CG1-CG 3.65Å
302P73.5Confident69.2Low48 Ų4889.7 Ų89.731%0.31251%0.51SS..  trans-57.6105178.1-26.234.2000110.8H273 S304 Q305 L306H273-P302 WeakPolarHBondContact CD2-CD 3.5Å; H273-P302 WeakPolarHBondContact NE2-CD 3.46Å; H273-P302 WeakPolarHBondContact NE2-CG 3.48Å; P302-S304 PolarHBondContact O-N 2.92Å; P302-S304 VanDerWaalsContact O-N 3.14Å; P302-Q305 HydrophobicContact CB-CB 4.21Å; P302-Q305 PolarHBondContact O-N 3.23Å; P302-L306 PolarHBondContact O-N 3.46Å
303C80.2Confident71.6Confident91 Ų9188 Ų8862%0.61549%0.494SS*.Hα-helixtrans-58-31.3-177.5-65.70000112.1V301 T307V301-C303 PolarHBondContact O-N 3Å; C303-T307 VanDerWaalsContact O-CB 3.26Å; C303-T307 WeakPolarHBondContact O-CB 3.49Å; C303-T307 PolarHBondContact O-N 3Å; C303-T307 PolarHBondContact O-OG1 2.85Å
304S85Confident73.8Confident81 Ų8189.6 Ų89.657%0.56650%0.501SS*.Hα-helixtrans-62.3-42.3176.153.80000112.4P302 Q308P302-S304 PolarHBondContact O-N 2.92Å; P302-S304 VanDerWaalsContact O-N 3.14Å; S304-Q308 WeakPolarHBondContact O-CG 3.5Å; S304-Q308 PolarHBondContact O-N 3.48Å
305Q85.1Confident75.9Confident80 Ų8091 Ų9137%0.37450%0.499SS..Hα-helixtrans-69-44.9179.2-173179.95.700111.1P302 T307 Q308 I309P302-Q305 HydrophobicContact CB-CB 4.21Å; P302-Q305 PolarHBondContact O-N 3.23Å; Q305-T307 PolarHBondContact O-N 3.01Å; Q305-Q308 PolarHBondContact O-N 3.27Å; Q305-I309 HydrophobicContact CG-CD1 4.16Å; Q305-I309 WeakPolarHBondContact O-CG1 3.47Å; Q305-I309 PolarHBondContact O-N 2.89Å; Q305-I309 VanDerWaalsContact O-N 3.11Å
306L88Confident78.1Confident39 Ų3982.1 Ų82.120%0.20446%0.459CS..Hα-helixtrans-61.9-43.8176.2-67.2-178.4000111.5L266 A269 I270 V301 P302 Q308 I309 A310L266-L306 HydrophobicContact CD1-CD2 3.69Å; A269-L306 HydrophobicContact CB-CD2 4.03Å; I270-L306 HydrophobicContact CG1-CD2 3.91Å; V301-L306 HydrophobicContact CB-CD1 3.84Å; V301-L306 HydrophobicContact CB-CG 4.48Å; V301-L306 HydrophobicContact CG1-CD1 3.49Å; V301-L306 VanDerWaalsContact CG1-CD1 3.49Å; V301-L306 HydrophobicContact CG1-CD2 3.88Å; V301-L306 HydrophobicContact CG1-CG 3.65Å; P302-L306 PolarHBondContact O-N 3.46Å; L306-Q308 VanDerWaalsContact C-N 3.34Å; L306-Q308 PolarHBondContact O-N 3.21Å; L306-I309 PolarHBondContact O-N 3.27Å; L306-A310 VanDerWaalsContact O-CB 3.24Å; L306-A310 WeakPolarHBondContact O-CB 3.37Å; L306-A310 PolarHBondContact O-N 2.84Å
307T88.8Confident80.4Confident93 Ų9381.9 Ų81.957%0.57145%0.45SS*.Hα-helixtrans-62.6-39.6178.4-62.30000111.9C303 Q305 A310 A311C303-T307 VanDerWaalsContact O-CB 3.26Å; C303-T307 WeakPolarHBondContact O-CB 3.49Å; C303-T307 PolarHBondContact O-N 3Å; C303-T307 PolarHBondContact O-OG1 2.85Å; Q305-T307 PolarHBondContact O-N 3.01Å; T307-A310 PolarHBondContact O-N 3.21Å; T307-A311 WeakPolarHBondContact O-CB 3.46Å; T307-A311 PolarHBondContact O-N 3.27Å
308Q90.5Very high82.8Confident140 Ų14076.2 Ų76.265%0.65443%0.428SS*.Hα-helixtrans-64.5-45176-74.9173.922.300112.2S304 Q305 L306 A311 A312S304-Q308 WeakPolarHBondContact O-CG 3.5Å; S304-Q308 PolarHBondContact O-N 3.48Å; Q305-Q308 PolarHBondContact O-N 3.27Å; L306-Q308 VanDerWaalsContact C-N 3.34Å; L306-Q308 PolarHBondContact O-N 3.21Å; Q308-A311 PolarHBondContact O-N 2.94Å; Q308-A312 PolarHBondContact O-N 3.48Å; Q308-A312 VanDerWaalsContact O-N 3.13Å
309I89.9Confident84.9Confident16 Ų1669 Ų698%0.08241%0.409CS..Hα-helixtrans-65-44.1178.1-62.7166.7000110.3H262 R265 L266 A269 Q305 L306 A312 Q313H262-I309 WeakPolarHBondContact O-CG2 3.46Å; R265-I309 HydrophobicContact CB-CG2 4.35Å; L266-I309 HydrophobicContact CB-CG2 3.87Å; L266-I309 HydrophobicContact CD1-CB 4.32Å; L266-I309 HydrophobicContact CD1-CG2 4.12Å; A269-I309 HydrophobicContact CB-CD1 3.94Å; Q305-I309 HydrophobicContact CG-CD1 4.16Å; Q305-I309 WeakPolarHBondContact O-CG1 3.47Å; Q305-I309 PolarHBondContact O-N 2.89Å; Q305-I309 VanDerWaalsContact O-N 3.11Å; L306-I309 PolarHBondContact O-N 3.27Å; I309-A312 PolarHBondContact O-N 3.01Å; I309-Q313 WeakPolarHBondContact O-CB 3.47Å; I309-Q313 PolarHBondContact O-N 2.77Å
310A90.5Very high86.7Confident45 Ų4565.8 Ų65.837%0.37239%0.387SS..Hα-helixtrans-65.6-38.7178.900000112.4L306 T307 Q313 M314L306-A310 VanDerWaalsContact O-CB 3.24Å; L306-A310 WeakPolarHBondContact O-CB 3.37Å; L306-A310 PolarHBondContact O-N 2.84Å; T307-A310 PolarHBondContact O-N 3.21Å; A310-Q313 PolarHBondContact O-N 2.94Å; A310-M314 WeakPolarHBondContact O-CB 3.49Å; A310-M314 PolarHBondContact O-N 2.66Å
311A92.6Very high88.2Confident53 Ų5366.4 Ų66.444%0.43838%0.381SS..Hα-helixtrans-62.8-46.9175.700000111.6T307 Q308 Q313 M314 E315T307-A311 WeakPolarHBondContact O-CB 3.46Å; T307-A311 PolarHBondContact O-N 3.27Å; Q308-A311 PolarHBondContact O-N 2.94Å; A311-Q313 VanDerWaalsContact C-N 3.31Å; A311-Q313 PolarHBondContact O-N 2.78Å; A311-M314 PolarHBondContact O-N 2.77Å; A311-E315 PolarHBondContact O-N 3.15Å
312A90.7Very high89.4Confident32 Ų3268.9 Ų68.926%0.26439%0.394SS..Hα-helixtrans-62.8-37.8176.200000112.2Q308 I309 C316Q308-A312 PolarHBondContact O-N 3.48Å; Q308-A312 VanDerWaalsContact O-N 3.13Å; I309-A312 PolarHBondContact O-N 3.01Å; A312-C316 WeakPolarHBondContact O-CB 3.36Å; A312-C316 PolarHBondContact O-N 2.97Å
313Q90.8Very high90.2Very high39 Ų3967.4 Ų67.418%0.18238%0.384CS..Hα-helixtrans-63.7-43.5173.3-175.9176.5-13.300111.7H262 T263 I309 A310 A311 C316 L317H262-Q313 HydrophobicContact CB-CB 4.01Å; H262-Q313 HydrophobicContact CB-CG 4.41Å; T263-Q313 PolarHBondContact OG1-NE2 3.26Å; I309-Q313 WeakPolarHBondContact O-CB 3.47Å; I309-Q313 PolarHBondContact O-N 2.77Å; A310-Q313 PolarHBondContact O-N 2.94Å; A311-Q313 VanDerWaalsContact C-N 3.31Å; A311-Q313 PolarHBondContact O-N 2.78Å; Q313-C316 PolarHBondContact O-N 2.93Å; Q313-L317 HydrophobicContact CG-CD1 4.04Å; Q313-L317 HydrophobicContact CG-CG 4.42Å; Q313-L317 WeakPolarHBondContact O-CB 3.35Å; Q313-L317 VanDerWaalsContact O-CG 3.3Å; Q313-L317 WeakPolarHBondContact O-CG 3.49Å; Q313-L317 PolarHBondContact O-N 3.45Å
314M92.5Very high90.6Very high131 Ų13167.5 Ų67.565%0.64538%0.378SS*.Hα-helixtrans-65.7-40.1180-170.5154.670.700112.1A310 A311 L317 T318A310-M314 WeakPolarHBondContact O-CB 3.49Å; A310-M314 PolarHBondContact O-N 2.66Å; A311-M314 PolarHBondContact O-N 2.77Å; M314-L317 PolarHBondContact O-N 2.99Å; M314-T318 WeakPolarHBondContact O-CB 3.35Å; M314-T318 PolarHBondContact O-N 3.36Å; M314-T318 PolarHBondContact O-OG1 2.89Å
315E93Very high90.8Very high149 Ų14969.2 Ų69.270%0.69638%0.377SS*.Hα-helixtrans-62.3-46.1173.8-174.5176.1-173.800111.5A311 L317 T318 S319A311-E315 PolarHBondContact O-N 3.15Å; E315-L317 PolarHBondContact O-N 3.36Å; E315-T318 PolarHBondContact O-N 3.44Å; E315-S319 PolarHBondContact O-N 3.18Å
316C91.9Very high91Very high10 Ų1070.2 Ų70.27%0.06838%0.384CS..Hα-helixtrans-61.7-44.4177.8-176.10000112.4L255 A312 Q313 S319 L320L255-C316 PolarHBondContact O-SG 3.24Å; A312-C316 WeakPolarHBondContact O-CB 3.36Å; A312-C316 PolarHBondContact O-N 2.97Å; Q313-C316 PolarHBondContact O-N 2.93Å; C316-S319 PolarHBondContact O-N 3.37Å; C316-L320 WeakPolarHBondContact O-CB 3.41Å; C316-L320 PolarHBondContact O-N 3.4Å
317L92.8Very high90.8Very high81 Ų8171.1 Ų71.142%0.42439%0.388SS..Hα-helixtrans-66.4-36.3176.8-70.5174.8000112.4A259 Q313 M314 E315 L320 M321A259-L317 HydrophobicContact CB-CD2 4.01Å; Q313-L317 HydrophobicContact CG-CD1 4.04Å; Q313-L317 HydrophobicContact CG-CG 4.42Å; Q313-L317 WeakPolarHBondContact O-CB 3.35Å; Q313-L317 VanDerWaalsContact O-CG 3.3Å; Q313-L317 WeakPolarHBondContact O-CG 3.49Å; Q313-L317 PolarHBondContact O-N 3.45Å; M314-L317 PolarHBondContact O-N 2.99Å; E315-L317 PolarHBondContact O-N 3.36Å; L317-L320 PolarHBondContact O-N 3.09Å; L317-M321 WeakPolarHBondContact O-CB 3.37Å; L317-M321 PolarHBondContact O-N 3.38Å
318T93.7Very high90.8Very high66 Ų6668.2 Ų68.241%0.40538%0.377SS..Hα-helixtrans-64.8-44.9175.4-56.60000110.7M314 E315 M321 N322M314-T318 WeakPolarHBondContact O-CB 3.35Å; M314-T318 PolarHBondContact O-N 3.36Å; M314-T318 PolarHBondContact O-OG1 2.89Å; E315-T318 PolarHBondContact O-N 3.44Å; T318-M321 PolarHBondContact O-N 3.2Å; T318-N322 PolarHBondContact O-N 3.09Å; T318-N322 VanDerWaalsContact O-N 3.08Å
319S92.7Very high90.8Very high52 Ų5264 Ų6436%0.36437%0.366SS..Hα-helixtrans-61.1-44.5175-169.20000111.6L255 E315 C316 M321 N322 S323L255-S319 WeakPolarHBondContact CD1-OG 3.4Å; E315-S319 PolarHBondContact O-N 3.18Å; C316-S319 PolarHBondContact O-N 3.37Å; S319-M321 VanDerWaalsContact C-N 3.35Å; S319-M321 PolarHBondContact O-N 2.93Å; S319-N322 WeakPolarHBondContact O-CB 3.35Å; S319-N322 PolarHBondContact O-N 3.42Å; S319-S323 PolarHBondContact O-N 2.93Å; S319-S323 PolarHBondContact O-OG 3.48Å
320L92.4Very high90.6Very high22 Ų2265.7 Ų65.712%0.11538%0.375CS..Hα-helixtrans-60.6-43.4177.1-179.463.8000111.8A252 L255 L256 C316 L317 N322 S323 L324A252-L320 HydrophobicContact CB-CD1 4.04Å; A252-L320 WeakPolarHBondContact O-CD1 3.41Å; L255-L320 HydrophobicContact CB-CB 4.21Å; L255-L320 HydrophobicContact CB-CD1 4.07Å; L255-L320 HydrophobicContact CD1-CB 4.48Å; L256-L320 HydrophobicContact CD1-CD2 4.44Å; C316-L320 WeakPolarHBondContact O-CB 3.41Å; C316-L320 PolarHBondContact O-N 3.4Å; L317-L320 PolarHBondContact O-N 3.09Å; L320-N322 VanDerWaalsContact C-N 3.33Å; L320-N322 PolarHBondContact O-N 2.79Å; L320-S323 PolarHBondContact O-N 2.97Å; L320-L324 HydrophobicContact CD1-CD1 4.39Å; L320-L324 HydrophobicContact CD1-CG 4.37Å; L320-L324 HydrophobicContact CG-CD1 4.14Å; L320-L324 WeakPolarHBondContact O-CB 3.43Å; L320-L324 VanDerWaalsContact O-CG 3.3Å; L320-L324 WeakPolarHBondContact O-CG 3.47Å; L320-L324 PolarHBondContact O-N 3.49Å
321M91.8Very high90.4Very high101 Ų10168.2 Ų68.250%0.49838%0.382SS..Hα-helixtrans-60.7-42.9176.8-174.3-177.765.500111.4L317 T318 S319 L324 Q325L317-M321 WeakPolarHBondContact O-CB 3.37Å; L317-M321 PolarHBondContact O-N 3.38Å; T318-M321 PolarHBondContact O-N 3.2Å; S319-M321 VanDerWaalsContact C-N 3.35Å; S319-M321 PolarHBondContact O-N 2.93Å; M321-L324 PolarHBondContact O-N 3.49Å; M321-Q325 WeakPolarHBondContact O-CG 3.22Å; M321-Q325 PolarHBondContact O-N 3.37Å
322N91.3Very high90.2Very high78 Ų7871.9 Ų71.942%0.41739%0.39SS..Hα-helixtrans-62.5-46.1176.2-71.4-20.6000111.6T318 S319 L320 L324 Q325 I326T318-N322 PolarHBondContact O-N 3.09Å; T318-N322 VanDerWaalsContact O-N 3.08Å; S319-N322 WeakPolarHBondContact O-CB 3.35Å; S319-N322 PolarHBondContact O-N 3.42Å; L320-N322 VanDerWaalsContact C-N 3.33Å; L320-N322 PolarHBondContact O-N 2.79Å; N322-L324 VanDerWaalsContact C-N 3.32Å; N322-L324 PolarHBondContact O-N 3.25Å; N322-Q325 PolarHBondContact O-N 2.85Å; N322-I326 WeakPolarHBondContact O-CG1 3.49Å; N322-I326 PolarHBondContact O-N 3.03Å
323S89.3Confident90.1Very high17 Ų1775.8 Ų75.812%0.11940%0.398CS..Hα-helixtrans-60.6-40.2176.6-62.40000112.3S319 L320 I326 M327S319-S323 PolarHBondContact O-N 2.93Å; S319-S323 PolarHBondContact O-OG 3.48Å; L320-S323 PolarHBondContact O-N 2.97Å; S323-I326 PolarHBondContact O-N 3.14Å; S323-M327 WeakPolarHBondContact O-CB 3.24Å; S323-M327 PolarHBondContact O-N 3.2Å
324L88.9Confident89.7Confident92 Ų9277.1 Ų77.148%0.48241%0.409SS..Hα-helixtrans-69.1-35.8176.7-70.1175.9000112.7L320 M321 N322 M327 G328L320-L324 HydrophobicContact CD1-CD1 4.39Å; L320-L324 HydrophobicContact CD1-CG 4.37Å; L320-L324 HydrophobicContact CG-CD1 4.14Å; L320-L324 WeakPolarHBondContact O-CB 3.43Å; L320-L324 VanDerWaalsContact O-CG 3.3Å; L320-L324 WeakPolarHBondContact O-CG 3.47Å; L320-L324 PolarHBondContact O-N 3.49Å; M321-L324 PolarHBondContact O-N 3.49Å; N322-L324 VanDerWaalsContact C-N 3.32Å; N322-L324 PolarHBondContact O-N 3.25Å; L324-M327 PolarHBondContact O-N 2.88Å; L324-G328 PolarHBondContact O-N 2.88Å
325Q90Very high89.3Confident118 Ų11876.3 Ų76.355%0.55140%0.403SS*.Hα-helixtrans-64.1-44.4173.6-76.7177.8-4.300111.6M321 N322 G328 A329M321-Q325 WeakPolarHBondContact O-CG 3.22Å; M321-Q325 PolarHBondContact O-N 3.37Å; N322-Q325 PolarHBondContact O-N 2.85Å; Q325-G328 PolarHBondContact O-N 2.85Å; Q325-A329 WeakPolarHBondContact O-CB 3.2Å; Q325-A329 PolarHBondContact O-N 2.73Å
326I88.5Confident88.8Confident100 Ų10073.7 Ų73.751%0.51340%0.397SS..Hα-helixtrans-60.9-47.7176-66.3165.4000110N322 S323 G328 A329 D330N322-I326 WeakPolarHBondContact O-CG1 3.49Å; N322-I326 PolarHBondContact O-N 3.03Å; S323-I326 PolarHBondContact O-N 3.14Å; I326-G328 VanDerWaalsContact C-N 3.3Å; I326-G328 PolarHBondContact O-N 3.49Å; I326-A329 PolarHBondContact O-N 3.5Å; I326-D330 WeakPolarHBondContact O-CB 3.48Å; I326-D330 PolarHBondContact O-N 3.31Å
327M85.3Confident88.3Confident58 Ų5877.6 Ų77.629%0.28642%0.415SS..Hα-helixtrans-61.2-38.6177.7-168.9-173.7-56.200112.3C249 A252 S323 L324 D330 L331C249-M327 HydrophobicContact CB-CE 4.49Å; A252-M327 HydrophobicContact CB-CE 4.22Å; S323-M327 WeakPolarHBondContact O-CB 3.24Å; S323-M327 PolarHBondContact O-N 3.2Å; L324-M327 PolarHBondContact O-N 2.88Å; M327-D330 PolarHBondContact O-N 2.89Å; M327-L331 WeakPolarHBondContact O-CB 3.38Å; M327-L331 PolarHBondContact O-N 3.46Å
328G88.4Confident87.4Confident33 Ų3379 Ų7934%0.3442%0.422SS..Hα-helixtrans-64.6-43.8174.700000112.8L324 Q325 I326 L331 Q332L324-G328 PolarHBondContact O-N 2.88Å; Q325-G328 PolarHBondContact O-N 2.85Å; I326-G328 VanDerWaalsContact C-N 3.3Å; I326-G328 PolarHBondContact O-N 3.49Å; G328-L331 PolarHBondContact O-N 2.9Å; G328-Q332 WeakPolarHBondContact O-CG 3.48Å; G328-Q332 PolarHBondContact O-N 3.35Å
329A88.9Confident86.6Confident52 Ų5280.6 Ų80.643%0.4343%0.425SS..Hα-helixtrans-65.3-40.7175.800000111.9Q325 I326 Q332 R333Q325-A329 WeakPolarHBondContact O-CB 3.2Å; Q325-A329 PolarHBondContact O-N 2.73Å; I326-A329 PolarHBondContact O-N 3.5Å; A329-Q332 PolarHBondContact O-N 3.49Å; A329-R333 WeakPolarHBondContact O-CB 3.43Å; A329-R333 PolarHBondContact O-N 3.44Å
330D86.6Confident85.7Confident51 Ų5183.9 Ų83.927%0.27343%0.434SS..Hα-helixtrans-60.4-45.4173.9-76.4-20.6000111.5I326 M327 R333 V334I326-D330 WeakPolarHBondContact O-CB 3.48Å; I326-D330 PolarHBondContact O-N 3.31Å; M327-D330 PolarHBondContact O-N 2.89Å; D330-R333 WeakPolarHBondContact O-CB 3.34Å; D330-R333 PolarHBondContact O-N 2.98Å; D330-R333 IonicContact OD1-CZ 3.17Å; D330-R333 IonicContact OD1-NH1 2.66Å; D330-R333 PolarHBondContact OD1-NH1 3.17Å; D330-R333 IonicContact OD1-NH2 2.78Å; D330-R333 PolarHBondContact OD1-NH2 2.85Å; D330-V334 WeakPolarHBondContact O-CG2 3.49Å; D330-V334 PolarHBondContact O-N 3.42Å
331L87.2Confident84.3Confident98 Ų9889 Ų8951%0.51345%0.453SS..Hα-helixtrans-64-42.5177.9-177.6142.9000111.6M327 G328 V334 Q335M327-L331 WeakPolarHBondContact O-CB 3.38Å; M327-L331 PolarHBondContact O-N 3.46Å; G328-L331 PolarHBondContact O-N 2.9Å; L331-V334 PolarHBondContact O-N 3.05Å; L331-Q335 HydrophobicContact CD2-CG 4.33Å; L331-Q335 WeakPolarHBondContact O-CB 3.41Å; L331-Q335 VanDerWaalsContact O-CG 3.26Å; L331-Q335 WeakPolarHBondContact O-CG 3.28Å; L331-Q335 PolarHBondContact O-N 3.13Å
332Q87.1Confident82.9Confident129 Ų12992.3 Ų92.360%0.60346%0.464SS*.Hα-helixtrans-61.8-43.3173.7-76.3-175.1-20.500111.8G328 A329 Q335 T336G328-Q332 WeakPolarHBondContact O-CG 3.48Å; G328-Q332 PolarHBondContact O-N 3.35Å; A329-Q332 PolarHBondContact O-N 3.49Å; Q332-Q335 WeakPolarHBondContact O-CB 3.5Å; Q332-Q335 PolarHBondContact O-N 2.95Å; Q332-T336 WeakPolarHBondContact O-CG2 3.35Å; Q332-T336 PolarHBondContact O-N 2.71Å; Q332-T336 PolarHBondContact O-OG1 3.11Å
333R89.3Confident81.4Confident115 Ų11592.7 Ų92.743%0.43447%0.466SS..Hα-helixtrans-58-52175.1-178.6-175.862.2-108-2.2110.9A329 D330 Q335 T336 E337A329-R333 WeakPolarHBondContact O-CB 3.43Å; A329-R333 PolarHBondContact O-N 3.44Å; D330-R333 WeakPolarHBondContact O-CB 3.34Å; D330-R333 PolarHBondContact O-N 2.98Å; D330-R333 IonicContact OD1-CZ 3.17Å; D330-R333 IonicContact OD1-NH1 2.66Å; D330-R333 PolarHBondContact OD1-NH1 3.17Å; D330-R333 IonicContact OD1-NH2 2.78Å; D330-R333 PolarHBondContact OD1-NH2 2.85Å; R333-Q335 VanDerWaalsContact C-N 3.29Å; R333-Q335 PolarHBondContact O-N 2.97Å; R333-T336 WeakPolarHBondContact CA-OG1 3.41Å; R333-T336 PolarHBondContact O-N 2.94Å; R333-T336 VanDerWaalsContact O-N 3.07Å; R333-T336 PolarHBondContact O-OG1 2.93Å; R333-E337 HydrophobicContact CG-CG 4.47Å; R333-E337 WeakPolarHBondContact O-CG 3.34Å; R333-E337 PolarHBondContact O-N 3.43Å
334V81.8Confident79.6Confident67 Ų6793 Ų9341%0.40647%0.468SS..Hα-helixtrans-60.1-39.9178.7172.20000111.3D330 L331 T336 E337 L338D330-V334 WeakPolarHBondContact O-CG2 3.49Å; D330-V334 PolarHBondContact O-N 3.42Å; L331-V334 PolarHBondContact O-N 3.05Å; V334-T336 PolarHBondContact O-N 3.36Å; V334-E337 PolarHBondContact O-N 3.37Å; V334-L338 HydrophobicContact CG1-CD1 3.86Å; V334-L338 HydrophobicContact CG1-CG 4.25Å; V334-L338 WeakPolarHBondContact O-CB 3.32Å; V334-L338 VanDerWaalsContact O-CG 3.3Å; V334-L338 WeakPolarHBondContact O-CG 3.42Å; V334-L338 PolarHBondContact O-N 3.08Å
335Q83.7Confident78Confident114 Ų11493.1 Ų93.153%0.53347%0.474SS..Hα-helixtrans-61.2-42.8174.3-76.4177.6-12.300112.4L331 Q332 R333 H339L331-Q335 HydrophobicContact CD2-CG 4.33Å; L331-Q335 WeakPolarHBondContact O-CB 3.41Å; L331-Q335 VanDerWaalsContact O-CG 3.26Å; L331-Q335 WeakPolarHBondContact O-CG 3.28Å; L331-Q335 PolarHBondContact O-N 3.13Å; Q332-Q335 WeakPolarHBondContact O-CB 3.5Å; Q332-Q335 PolarHBondContact O-N 2.95Å; R333-Q335 VanDerWaalsContact C-N 3.29Å; R333-Q335 PolarHBondContact O-N 2.97Å; Q335-H339 VanDerWaalsContact O-CB 3.3Å; Q335-H339 WeakPolarHBondContact O-CB 3.32Å; Q335-H339 PolarHBondContact O-N 3.48Å
336T83.9Confident76.2Confident93 Ų9395.1 Ų95.157%0.57148%0.483SS*.Hα-helixtrans-67.3-40.4176.855.90000112.5Q332 R333 V334 H339 H340Q332-T336 WeakPolarHBondContact O-CG2 3.35Å; Q332-T336 PolarHBondContact O-N 2.71Å; Q332-T336 PolarHBondContact O-OG1 3.11Å; R333-T336 WeakPolarHBondContact CA-OG1 3.41Å; R333-T336 PolarHBondContact O-N 2.94Å; R333-T336 VanDerWaalsContact O-N 3.07Å; R333-T336 PolarHBondContact O-OG1 2.93Å; V334-T336 PolarHBondContact O-N 3.36Å; T336-H339 PolarHBondContact O-N 2.94Å; T336-H340 PolarHBondContact O-N 3.27Å
337E80.6Confident74.4Confident93 Ų9397.4 Ų97.444%0.43549%0.486SS..Hα-helixtrans-62.7-50.1175.2-72.9176.2-177.600110.6R333 V334 H339 H340 Y341R333-E337 HydrophobicContact CG-CG 4.47Å; R333-E337 WeakPolarHBondContact O-CG 3.34Å; R333-E337 PolarHBondContact O-N 3.43Å; V334-E337 PolarHBondContact O-N 3.37Å; E337-H339 VanDerWaalsContact C-N 3.28Å; E337-H339 PolarHBondContact O-N 3.19Å; E337-H340 WeakPolarHBondContact O-CA 3.26Å; E337-H340 WeakPolarHBondContact O-CB 3.21Å; E337-H340 PolarHBondContact O-N 3.15Å; E337-Y341 HydrophobicContact CB-CE2 4.4Å; E337-Y341 WeakPolarHBondContact O-CD2 3.46Å; E337-Y341 PolarHBondContact O-N 2.81Å
338L74Confident72.7Confident110 Ų110100 Ų10058%0.57650%0.5SS*.Hα-helixtrans-58.8-39.2175.9-75.2173000112.3V334 H340 Y341 K342V334-L338 HydrophobicContact CG1-CD1 3.86Å; V334-L338 HydrophobicContact CG1-CG 4.25Å; V334-L338 WeakPolarHBondContact O-CB 3.32Å; V334-L338 VanDerWaalsContact O-CG 3.3Å; V334-L338 WeakPolarHBondContact O-CG 3.42Å; V334-L338 PolarHBondContact O-N 3.08Å; L338-H340 VanDerWaalsContact C-N 3.34Å; L338-Y341 PolarHBondContact O-N 2.98Å; L338-K342 WeakPolarHBondContact O-CB 3.44Å; L338-K342 PolarHBondContact O-N 3.32Å
339H76.8Confident70.8Confident100 Ų100104.4 Ų104.446%0.46352%0.515SS..Hα-helixtrans-63.5-41.6174.8-174.1-97.3000111.6Q335 T336 E337 K342 L343Q335-H339 VanDerWaalsContact O-CB 3.3Å; Q335-H339 WeakPolarHBondContact O-CB 3.32Å; Q335-H339 PolarHBondContact O-N 3.48Å; T336-H339 PolarHBondContact O-N 2.94Å; E337-H339 VanDerWaalsContact C-N 3.28Å; E337-H339 PolarHBondContact O-N 3.19Å; H339-K342 PolarHBondContact O-N 3.32Å; H339-L343 WeakPolarHBondContact CE1-CD1 3.29Å; H339-L343 PolarHBondContact O-N 3.5Å
340H72.9Confident68.9Low120 Ų120104.7 Ų104.756%0.55652%0.518SS*.Hα-helixtrans-65.6-40.7175.7-168.4-46.6000112T336 E337 L338 K342 L343 S344T336-H340 PolarHBondContact O-N 3.27Å; E337-H340 WeakPolarHBondContact O-CA 3.26Å; E337-H340 WeakPolarHBondContact O-CB 3.21Å; E337-H340 PolarHBondContact O-N 3.15Å; L338-H340 VanDerWaalsContact C-N 3.34Å; H340-K342 VanDerWaalsContact C-N 3.32Å; H340-K342 PolarHBondContact O-N 2.87Å; H340-L343 PolarHBondContact O-N 3.41Å; H340-S344 WeakPolarHBondContact O-CB 3.24Å; H340-S344 PolarHBondContact O-N 3.11Å
341Y63.7Low66.9Low131 Ų131106.3 Ų106.351%0.51453%0.532SS..Hα-helixtrans-63.9-37.5175.6-78.4-70.4000112E337 L338 L343 S344E337-Y341 HydrophobicContact CB-CE2 4.4Å; E337-Y341 WeakPolarHBondContact O-CD2 3.46Å; E337-Y341 PolarHBondContact O-N 2.81Å; L338-Y341 PolarHBondContact O-N 2.98Å; Y341-L343 PolarHBondContact O-N 3.28Å; Y341-S344 PolarHBondContact O-N 2.94Å
342K63.6Low64.7Low170 Ų170108.2 Ų108.274%0.73954%0.538SS*.Hα-helixtrans-67.8-22178.7-161.3170.1-174.9173.30113.9L338 H339 H340L338-K342 WeakPolarHBondContact O-CB 3.44Å; L338-K342 PolarHBondContact O-N 3.32Å; H339-K342 PolarHBondContact O-N 3.32Å; H340-K342 VanDerWaalsContact C-N 3.32Å; H340-K342 PolarHBondContact O-N 2.87Å
343L58.4Low62.5Low86 Ų86108 Ų10845%0.4554%0.54SS..THydrogen-bonded Turntrans-102.70.2-179.4-71.5169.8000113.9E3 H339 H340 Y341 P345E3-L343 HydrophobicContact CG-CD2 4.01Å; H339-L343 WeakPolarHBondContact CE1-CD1 3.29Å; H339-L343 PolarHBondContact O-N 3.5Å; H340-L343 PolarHBondContact O-N 3.41Å; Y341-L343 PolarHBondContact O-N 3.28Å; L343-P345 VanDerWaalsContact O-CD 3.32Å; L343-P345 WeakPolarHBondContact O-CD 3.36Å
344S51.4Low60.4Low22 Ų22108.7 Ų108.715%0.15455%0.551CS.*  trans-116.886.3-178.6-179.70000110.7H340 Y341 E346H340-S344 WeakPolarHBondContact O-CB 3.24Å; H340-S344 PolarHBondContact O-N 3.11Å; Y341-S344 PolarHBondContact O-N 2.94Å; S344-E346 PolarHBondContact O-N 3.33Å
345P55.3Low58.6Low96 Ų96109.4 Ų109.462%0.62356%0.559SS**Hα-helixtrans-61.9-25.9175.2-16.829.1000112.5L343 R347 L348L343-P345 VanDerWaalsContact O-CD 3.32Å; L343-P345 WeakPolarHBondContact O-CD 3.36Å; P345-R347 VanDerWaalsContact C-N 3.34Å; P345-R347 PolarHBondContact O-N 2.92Å; P345-L348 PolarHBondContact O-N 3.06Å
346E53.8Low56.6Low159 Ų159111.9 Ų111.974%0.74357%0.571SS**Hα-helixtrans-71-23.1-171.6-67.1175165.700113.9S344S344-E346 PolarHBondContact O-N 3.33Å
347R50Low54.5Low148 Ų148116.9 Ų116.956%0.55859%0.585SS**Hα-helixtrans-84.5-22.2178.1-63.4-174.1102.7178.65.2113.5P345 L349 A350P345-R347 VanDerWaalsContact C-N 3.34Å; P345-R347 PolarHBondContact O-N 2.92Å; R347-L349 VanDerWaalsContact C-N 3.31Å; R347-L349 PolarHBondContact O-N 2.8Å; R347-A350 PolarHBondContact O-N 2.83Å
348L49.8Very low52.6Low113 Ų113116.2 Ų116.259%0.59260%0.595SS**Hα-helixtrans-71.1-27.3175.9-72.7170.8000112.6P345 A350 C351 H352P345-L348 PolarHBondContact O-N 3.06Å; L348-A350 VanDerWaalsContact C-N 3.33Å; L348-C351 PolarHBondContact O-N 3.35Å; L348-H352 PolarHBondContact O-N 2.92Å; L348-H352 PolarHBondContact O-ND1 3.36Å
349L48Very low50.9Low125 Ų125116.6 Ų116.665%0.65460%0.601SS**Hα-helixtrans-66.4-34.2172.8-77.5160.8000112.1R347 C351R347-L349 VanDerWaalsContact C-N 3.31Å; R347-L349 PolarHBondContact O-N 2.8Å; L349-C351 VanDerWaalsContact C-N 3.32Å; L349-C351 PolarHBondContact O-N 3.35Å
350A48.5Very low49Very low58 Ų58119 Ų11948%0.47962%0.618SS.*Hα-helixtrans-70.1-27.9177.900000113R347 L348R347-A350 PolarHBondContact O-N 2.83Å; L348-A350 VanDerWaalsContact C-N 3.33Å
351C44.2Very low47.3Very low85 Ų85119.8 Ų119.857%0.57463%0.631SS**Hα-helixtrans-80.6-32.9177.9-65.80000113L348 L349 L353 I354L348-C351 PolarHBondContact O-N 3.35Å; L349-C351 VanDerWaalsContact C-N 3.32Å; L349-C351 PolarHBondContact O-N 3.35Å; C351-L353 VanDerWaalsContact C-N 3.3Å; C351-L353 PolarHBondContact O-N 2.91Å; C351-I354 PolarHBondContact O-N 3.05Å
352H42.4Very low46.3Very low139 Ų139122.4 Ų122.464%0.64465%0.648SS**Hα-helixtrans-65.3-33.1177-86.576.8000112.7L348 I354 S355 E356L348-H352 PolarHBondContact O-N 2.92Å; L348-H352 PolarHBondContact O-ND1 3.36Å; H352-I354 PolarHBondContact O-N 3.42Å; H352-S355 PolarHBondContact O-N 3.41Å; H352-E356 PolarHBondContact O-N 2.89Å
353L40.9Very low44.9Very low123 Ų123123.3 Ų123.364%0.64466%0.655SS**Hα-helixtrans-68.5-16.6178.8-70.1167.6000114C351C351-L353 VanDerWaalsContact C-N 3.3Å; C351-L353 PolarHBondContact O-N 2.91Å
354I45.5Very low43.8Very low131 Ų131122.5 Ų122.567%0.67267%0.667SS**Hα-helixtrans-90.6-29.2178.2-56.9173.8000110.7C351 H352C351-I354 PolarHBondContact O-N 3.05Å; H352-I354 PolarHBondContact O-N 3.42Å
355S43.7Very low43Very low82 Ų82128.9 Ų128.957%0.57370%0.7SS**Hα-helixtrans-81.5-25.5-178.7-163.10000113.8H352 K357H352-S355 PolarHBondContact O-N 3.41Å; S355-K357 VanDerWaalsContact C-N 3.3Å; S355-K357 PolarHBondContact O-N 3.29Å
356E40.3Very low41.9Very low166 Ų166134.3 Ų134.378%0.77671%0.714SS**THydrogen-bonded Turntrans-74.5-15178.8-95.8-178.1160.900114.1H352H352-E356 PolarHBondContact O-N 2.89Å
357K40.7Very low40.9Very low198 Ų198132 Ų13286%0.86171%0.714SS**THydrogen-bonded Turntrans-93.13.1178.3-80.7-168.2174-174.90115S355S355-K357 VanDerWaalsContact C-N 3.3Å; S355-K357 PolarHBondContact O-N 3.29Å
358A39.9Very low40.3Very low78 Ų78130.1 Ų130.165%0.64572%0.721SS**SBendtrans-117.210.5-170.600000115.1
359V39.6Very low39.8Very low118 Ų118133.5 Ų133.572%0.71573%0.734SS**  trans-127.769.4-177.6-169.90000110.1
360D36.3Very low39.2Very low152 Ų152133 Ų13381%0.81374%0.74SS**  trans-146.682163-94.3-31.3000107.5
361T38.1Very low39Very low136 Ų136135.6 Ų135.683%0.83475%0.753SS**  trans-146.893.8162.9-32.30000108.2E363T361-E363 PolarHBondContact O-N 3.47Å
362H41.9Very low38.8Very low186 Ų186137.6 Ų137.686%0.86177%0.768SS**  trans-69.1113.1169.2-95.1-87000109G364H362-G364 PolarHBondContact O-N 2.96Å
363E34.4Very low38.6Very low188 Ų188134.4 Ų134.488%0.87977%0.773SS**  trans-69118.5159.4-78.6-89.6137.400108.4T361T361-E363 PolarHBondContact O-N 3.47Å
364G36.1Very low38.3Very low70 Ų70139.3 Ų139.372%0.72278%0.783SS**  trans-150.7100.6173.400000108.3H362H362-G364 PolarHBondContact O-N 2.96Å
365D33.4Very low38.1Very low156 Ų156140.2 Ų140.283%0.83479%0.788SS**  trans-39.9130.5171.1-82.2-48.8000112.7
366F32Very low37.9Very low209 Ų209140.6 Ų140.692%0.91780%0.796SS**  trans179.2116.9131.6-112.7-88.6000110.3
367C32.4Very low38.1Very low111 Ų111138.1 Ų138.175%0.7579%0.794SS**  trans-84.9156.1165.1-144.20000108.1
368P37.6Very low38.2Very low109 Ų109135.5 Ų135.571%0.70880%0.795SS**  -151.516065.233.6-9.9000118.8
369Q40Very low38.2Very low184 Ų184139.3 Ų139.386%0.8681%0.805SS**  trans78.6117.3142.9-73.3170.420.700121.7
370S36.1Very low38.4Very low113 Ų113139.3 Ų139.379%0.7981%0.807SS**  trans-74.1-162172.5-32.80000113.3
371P44.6Very low38.3Very low113 Ų113137.9 Ų137.973%0.73480%0.8SS**  cis-131.8165.1-39.525-5.3000111.8
372S40Very low38.4Very low128 Ų128139.7 Ų139.790%0.89580%0.803SS**  trans162.1141.4134.3-81.60000113.6
373G37.5Very low37.9Very low72 Ų72135.6 Ų135.674%0.74279%0.792SS**  trans114.376.6150.300000115
374R33.8Very low38Very low226 Ų226134.6 Ų134.685%0.85379%0.791SS**  75.3123.995.4-113.4-166.5-175.6-141.1-0.8116.2
375L40.9Very low37.7Very low149 Ų149139.7 Ų139.778%0.7880%0.796SS**  trans97.3115.4142.9-62.4163.3000118.7
376A41.2Very low37.6Very low91 Ų91137.3 Ų137.375%0.75279%0.792SS**  trans-78.1-157.8173.200000112
377P44Very low37.7Very low113 Ų113132.9 Ų132.973%0.73478%0.782SS**  -129.2167-57.428.5-11.4000111.7
378T42.3Very low37.6Very low144 Ų144132.5 Ų132.588%0.88379%0.786SS**  trans-171.2117.4147.516.20000112.1
379D39.6Very low37.4Very low157 Ų157137.2 Ų137.284%0.8479%0.79SS**  trans-70.5158.5158.9-93.8-43.3000110.3
380P44.9Very low37Very low119 Ų119138.4 Ų138.477%0.77379%0.792SS**  -144.613897.332.7-13.9000115.9
381D32.8Very low36.8Very low122 Ų122143.7 Ų143.765%0.65280%0.795SS**  49.2103125.2-1541.4000119T383D381-T383 PolarHBondContact OD1-N 3.45Å; D381-T383 PolarHBondContact OD1-OG1 3.27Å
382L40.9Very low36.1Very low173 Ų173143 Ų14391%0.90679%0.792SS**  trans-132.687.5149-90168.6000109.5L384L382-L384 PolarHBondContact O-N 3.43Å
383T32.5Very low35.6Very low101 Ų101144 Ų14462%0.6279%0.787SS**  trans-55.5111.7163.6-61.20000110.9D381 Q385D381-T383 PolarHBondContact OD1-N 3.45Å; D381-T383 PolarHBondContact OD1-OG1 3.27Å; T383-Q385 HydrophobicContact CG2-CG 4.44Å
384L35.7Very low35.3Very low167 Ų167146 Ų14687%0.87478%0.784SS**  trans-111.396.1161.1-85.1176.4000110.1L382 S386L382-L384 PolarHBondContact O-N 3.43Å; L384-S386 PolarHBondContact O-N 3.46Å
385Q30.2Very low35Very low177 Ų177142.9 Ų142.983%0.82778%0.781SS**  trans-63.6120.8157.1-74.1177.10.900108.9T383T383-Q385 HydrophobicContact CG2-CG 4.44Å
386S31.8Very low34.6Very low106 Ų106141.6 Ų141.674%0.74178%0.78SS**  trans-147.5102.7145.479.90000113L384L384-S386 PolarHBondContact O-N 3.46Å
387V32.5Very low34Very low116 Ų116144.1 Ų144.170%0.70378%0.78SS**  trans56.692.6131.6-166.90000117.5R389V387-R389 HydrophobicContact CG1-CG 4.02Å; V387-R389 PolarHBondContact O-N 3.28Å
388A30Very low33.5Very low102 Ų102147.8 Ų147.884%0.84379%0.788SS**  trans-53.3117.1147.200000110.4
389R34.3Very low32.9Very low209 Ų209149.7 Ų149.779%0.78979%0.787SS**  trans-109.397.2165.1-96.5176.3176.9177.7-0.1109.8V387 R391V387-R389 HydrophobicContact CG1-CG 4.02Å; V387-R389 PolarHBondContact O-N 3.28Å; R389-R391 PolarHBondContact O-N 3.34Å
390K31.1Very low32.7Very low208 Ų208154.3 Ų154.390%0.90479%0.792SS**  trans-51.9125.9150.1-80.4173.7171177.80108.2
391R32.6Very low32.2Very low224 Ų224153.4 Ų153.485%0.84579%0.789SS**  trans-113.5106.9157.6-83.4-171.9172.1-175.7-1.8108.6R389R389-R391 PolarHBondContact O-N 3.34Å
392S28.6Very low32.2Very low98 Ų98152.8 Ų152.869%0.68579%0.794SS**  trans-59130.8164.8174.70000109.7
393I30.8Very low32Very low151 Ų151153 Ų15377%0.77479%0.79SS**  trans-86.1112.3162-74.7171.3000106.1M395I393-M395 HydrophobicContact CG2-CG 4.12Å
394V30.6Very low32.1Very low112 Ų112154.6 Ų154.668%0.67980%0.795SS**  trans-96.4113.1165.5176.10000106.5T396V394-T396 HydrophobicContact CG1-CG2 4.17Å
395M26.8Very low32.1Very low162 Ų162154.7 Ų154.780%0.79880%0.796SS**  trans-82.2112.1167.4-68.9-81-80.800107.4I393I393-M395 HydrophobicContact CG2-CG 4.12Å
396T33.8Very low32.2Very low122 Ų122154.7 Ų154.775%0.74880%0.797SS**  trans-96.9110164.546.30000108.6V394V394-T396 HydrophobicContact CG1-CG2 4.17Å
397N28.3Very low32.4Very low144 Ų144154.7 Ų154.777%0.7780%0.803SS**  trans-63.2125.5159.5-85.3-7.8000108.5
398E34.2Very low32.5Very low189 Ų189155.5 Ų155.588%0.88381%0.808SS**  trans-118.899.7152.6-84.7-169.5138.400108
399E29.8Very low32.9Very low185 Ų185156 Ų15686%0.86481%0.806SS**  trans-64.5126.1154-73.4172.812300108.1
400R35.3Very low32.9Very low253 Ų253151 Ų15196%0.95580%0.803SS**  trans-133.2108.5153.1-138.3176.9-159.4-148.84109.5
401S32.9Very low33.1Very low100 Ų100146.6 Ų146.670%0.69979%0.793SS**  trans-77.3159175.1360000112
402S34.4Very low33.2Very low109 Ų109143 Ų14376%0.76279%0.791SS**  trans72.3132.3160.769.80000115.9
403E36.1Very low33.8Very low178 Ų178147.1 Ų147.183%0.83280%0.796SS**  cis-150.7148.138.2-83.5173.9113.800113.2
404N33.8Very low34.2Very low135 Ų135147 Ų14772%0.72280%0.797SS**  trans15.2127.9143.2-77.4-17.5000120.1
405D37Very low34.2Very low168 Ų168154.5 Ų154.590%0.89881%0.813SS**  -156.7129.8109.5-99.4-27.7000112.6
406Q31.2Very low34.9Very low178 Ų178150.7 Ų150.783%0.83281%0.808SS**  trans-76.1133.1175.7-73173.8-11.600110.7
407A37.3Very low35Very low105 Ų105152 Ų15287%0.86881%0.81SS**  trans-150.3112.4149.300000110.4
408T34.5Very low35.5Very low134 Ų134149.4 Ų149.482%0.82282%0.817SS**  trans-71.5139.3176.750.10000112.8
409S37Very low35.8Very low113 Ų113148.9 Ų148.979%0.7982%0.815SS**  trans174.2112.6134.952.40000108.1
410S34Very low36.2Very low104 Ų104148.2 Ų148.273%0.72782%0.816SS**  98.510293.5-161.50000109.6
411V35.4Very low36.5Very low115 Ų115139.9 Ų139.970%0.69781%0.809SS**  71.8112.4108.3175.90000110
412D35.4Very low37.4Very low149 Ų149141.6 Ų141.680%0.79782%0.815SS**  -168.6149.462.2-115.9-34.1000112.5
413K40.7Very low37.9Very low184 Ų184141.7 Ų141.780%0.882%0.816SS**  trans-85.1137.7160.2-67.5170.7177.8172.10107.5
414N39Very low38.9Very low148 Ų148138.7 Ų138.779%0.79181%0.812SS**  trans166.9116.1141.8-89.7-23.4000109.4
415W31.3Very low39.8Very low269 Ų269140 Ų140100%1.01982%0.819SS**  trans-13893.9146.6-95.26.8000106.9
416A41.4Very low40.3Very low83 Ų83141.3 Ų141.369%0.68684%0.841SS**  trans-140.3132.216300000107.5
417N36.5Very low40.7Very low150 Ų150139.5 Ų139.580%0.80284%0.842SS**  trans64.994.6159.4-61.1-10.5000118.9
418G37.7Very low40.9Very low89 Ų89141.3 Ų141.392%0.91884%0.84SS**  trans-95.489.2149.800000109.5
419Q41.9Very low41.3Very low177 Ų177141.7 Ų141.783%0.82784%0.841SS**  trans-96.5132.8169.8-154.6169.6-4.300107.9G421Q419-G421 PolarHBondContact O-N 2.89Å
420L37.8Very low41.5Very low171 Ų171143.4 Ų143.490%0.89584%0.844SS**  trans-58.1123.7178.7-79.9108.4000111.3
421G41.5Very low42Very low78 Ų78145.9 Ų145.980%0.80485%0.852SS**  trans-105.1111164.600000109.9Q419Q419-G421 PolarHBondContact O-N 2.89Å
422V52.6Low42.4Very low137 Ų137147.9 Ų147.983%0.8386%0.862SS**PPolyproline II helixtrans-85.6135.4164.1-174.90000106.8
423S45Very low42.9Very low111 Ų111147.9 Ų147.978%0.77687%0.867SS**PPolyproline II helixtrans-62.8148178.1-76.10000112.2
424P57.1Low43.1Very low115 Ų115145.1 Ų145.175%0.74787%0.872SS**PPolyproline II helixtrans-87.7144.4175.235.3-29.7000111
425D51.4Low43.5Very low162 Ų162144.8 Ų144.887%0.86688%0.878SS**PPolyproline II helixtrans-98.5138.8151.2-93.6-32.1000107.8
426S47.3Very low44.6Very low196 Ų196133.5 Ų133.5100%1.37187%0.866SS**  trans970178.6-45.90000116.9

Retrieved 426 of 426 residues in 93.4 ms (Link to these results)

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