A0A087XFH8_POEFO Loading...

Kinesin-like protein

AlphaFold DB , UniProt , Accession A0A087XFH8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 907 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
1M26.3Very low66.8Low242 Ų24281.4 Ų81.4100%1.19247%0.471SS*.  0113.10-63.5-57.7-168.200108.1
2A36.2Very low69.4Low91 Ų9174.6 Ų74.675%0.75243%0.431SS*.  trans-92.6123.9168.800000108.1D4A2-D4 PolarHBondContact O-N 2.74Å
3S41.3Very low71.6Confident98 Ų9868.8 Ų68.869%0.68540%0.398SS*.  trans-77.4116.4174.652.40000109.6V5S3-V5 PolarHBondContact O-N 3.17Å
4D50.3Low73.4Confident97 Ų9764.8 Ų64.852%0.51937%0.373SS..  trans-6998.5176.2-80.12.2000110.3A2 C6 K357A2-D4 PolarHBondContact O-N 2.74Å; D4-C6 PolarHBondContact O-N 2.93Å; D4-K357 IonicContact OD1-NZ 2.64Å; D4-K357 PolarHBondContact OD1-NZ 2.91Å; D4-K357 IonicContact OD2-NZ 3.22Å; D4-K357 PolarHBondContact OD2-NZ 3.45Å
5V64.6Low75Confident74 Ų7460.6 Ų60.645%0.44835%0.349SS..EExtended strand (participates in β ladder)trans-80.7111.4179.5-177.80000108.9S3 S7 L356S3-V5 PolarHBondContact O-N 3.17Å; V5-S7 PolarHBondContact O-N 2.58Å; V5-L356 HydrophobicContact CB-CB 4.4Å; V5-L356 PolarHBondContact N-O 2.86Å; V5-L356 WeakPolarHBondContact O-CB 3.47Å; V5-L356 PolarHBondContact O-N 3.49Å
6C64.2Low76.2Confident82 Ų8258.3 Ų58.355%0.55433%0.333SS*.EExtended strand (participates in β ladder)trans-73.9117.1169.9-171.40000109.2D4D4-C6 PolarHBondContact O-N 2.93Å
7S79.8Confident77.1Confident29 Ų2958.7 Ų58.720%0.20334%0.338CS..EExtended strand (participates in β ladder)trans-115.1143.6174.3-177.20000109.2V5 K353 S354V5-S7 PolarHBondContact O-N 2.58Å; S7-K353 CarbonylContact O-C 3.53Å; S7-K353 WeakPolarHBondContact O-CA 3.3Å; S7-S354 PolarHBondContact N-O 3.01Å; S7-S354 VanDerWaalsContact N-O 3.16Å; S7-S354 PolarHBondContact O-N 3.08Å
8H88.6Confident77.8Confident110 Ų11057.6 Ų57.651%0.50933%0.332SS..EExtended strand (participates in β ladder)trans-81.3164164.1-58.476.7000110.4I352 K353H8-I352 CarbonylContact C-O 3.57Å; H8-I352 VanDerWaalsContact CA-O 3.29Å; H8-I352 WeakPolarHBondContact CA-O 3.36Å; H8-K353 WeakPolarHBondContact NE2-CE 3.41Å; H8-K353 PolarHBondContact NE2-NZ 3.28Å
9V92.7Very high78.4Confident1 Ų158.3 Ų58.31%0.00634%0.335CS..PPolyproline II helixtrans-72.9121.7168.6174.40000108.4V11 T323 M325 I352V9-V11 HydrophobicContact CG1-CG2 4.34Å; V9-V11 PolarHBondContact O-N 3.45Å; V9-T323 HydrophobicContact CG1-CG2 4.13Å; V9-M325 HydrophobicContact CG1-CB 4.45Å; V9-I352 HydrophobicContact CG2-CB 3.79Å; V9-I352 HydrophobicContact CG2-CG2 3.81Å; V9-I352 PolarHBondContact N-O 2.83Å
10K94.6Very high78.9Confident71 Ų7160.6 Ų60.631%0.30935%0.346SS..EExtended strand (participates in β ladder)trans-71.8125.7175.2-170.7-178.5-177.9179.60108.7V12 D74 N89 T323 V324 M325K10-V12 HydrophobicContact CG-CG1 4.49Å; K10-D74 WeakPolarHBondContact CA-OD2 3.29Å; K10-D74 HydrophobicContact CD-CB 4.36Å; K10-D74 HydrophobicContact CG-CB 3.65Å; K10-N89 PolarHBondContact NZ-O 2.83Å; K10-T323 PolarHBondContact N-O 2.59Å; K10-V324 HydrophobicContact CB-CG1 4.43Å; K10-V324 HydrophobicContact CB-CG2 4.27Å; K10-V324 CarbonylContact O-C 3.56Å; K10-V324 VanDerWaalsContact O-CA 3.29Å; K10-V324 WeakPolarHBondContact O-CA 3.49Å; K10-M325 PolarHBondContact O-N 3.48Å
11V96.6Very high79.3Confident0 Ų062.2 Ų62.20%035%0.354CS..EExtended strand (participates in β ladder)trans-115.6122178.6-177.50000109.5V9 F73 D74 M325 A346 A349 K350V9-V11 HydrophobicContact CG1-CG2 4.34Å; V9-V11 PolarHBondContact O-N 3.45Å; V11-F73 HydrophobicContact CB-CD1 4.3Å; V11-F73 HydrophobicContact CG1-CD1 3.65Å; V11-F73 HydrophobicContact CG1-CE1 4.06Å; V11-D74 PolarHBondContact N-OD2 3.49Å; V11-D74 WeakPolarHBondContact O-CB 3.24Å; V11-D74 PolarHBondContact O-N 2.66Å; V11-M325 HydrophobicContact CG1-SD 4.48Å; V11-M325 HydrophobicContact CG2-CB 4.3Å; V11-A346 HydrophobicContact CG1-CB 3.75Å; V11-A349 HydrophobicContact CG2-CB 4.06Å; V11-K350 HydrophobicContact CB-CB 4.45Å; V11-K350 HydrophobicContact CG2-CB 3.89Å; V11-K350 HydrophobicContact CG2-CG 4.36Å
12V97.3Very high82.2Confident0 Ų051.8 Ų51.80%030%0.302CS..EExtended strand (participates in β ladder)trans-117.7146.7171.8-53.90000110.4K10 H75 F77 T90 M325 I326 A327K10-V12 HydrophobicContact CG-CG1 4.49Å; V12-H75 CarbonylContact C-O 3.58Å; V12-H75 WeakPolarHBondContact CA-O 3.33Å; V12-H75 HydrophobicContact CB-CB 4.08Å; V12-H75 HydrophobicContact CG1-CB 3.61Å; V12-F77 HydrophobicContact CB-CE2 3.95Å; V12-F77 HydrophobicContact CG1-CE2 4.43Å; V12-F77 HydrophobicContact CG2-CE2 3.97Å; V12-T90 HydrophobicContact CG1-CG2 4.22Å; V12-T90 HydrophobicContact CG2-CG2 3.71Å; V12-M325 PolarHBondContact N-O 3.38Å; V12-I326 HydrophobicContact CG2-CB 4.18Å; V12-I326 HydrophobicContact CG2-CG1 3.84Å; V12-I326 HydrophobicContact CG2-CG2 4.2Å; V12-A327 PolarHBondContact O-N 2.85Å
13V98Very high84.7Confident0 Ų053 Ų530%029%0.29CS..EExtended strand (participates in β ladder)trans-107.1139.2171.6176.10000109.8L39 F73 H75 V76 F77 A327 V329 L343V13-L39 HydrophobicContact CB-CD2 4.01Å; V13-L39 HydrophobicContact CG1-CD2 3.69Å; V13-L39 HydrophobicContact CG2-CD2 4.18Å; V13-F73 HydrophobicContact CB-CD2 4.26Å; V13-F73 HydrophobicContact CG2-CB 4.49Å; V13-F73 HydrophobicContact CG2-CD1 4.03Å; V13-F73 HydrophobicContact CG2-CD2 3.38Å; V13-F73 HydrophobicContact CG2-CE1 4.06Å; V13-F73 HydrophobicContact CG2-CE2 3.39Å; V13-F73 HydrophobicContact CG2-CG 3.69Å; V13-F73 HydrophobicContact CG2-CZ 3.75Å; V13-H75 PolarHBondContact N-O 3Å; V13-V76 CarbonylContact O-C 3.56Å; V13-V76 WeakPolarHBondContact O-CA 3.26Å; V13-F77 WeakPolarHBondContact O-CD2 3.44Å; V13-F77 PolarHBondContact O-N 3.19Å; V13-A327 CarbonylContact C-O 3.58Å; V13-A327 WeakPolarHBondContact CA-O 3.17Å; V13-A327 HydrophobicContact CG2-CB 4.03Å; V13-V329 HydrophobicContact CG1-CG1 4.36Å; V13-V329 HydrophobicContact CG1-CG2 3.68Å; V13-L343 HydrophobicContact CG1-CD2 4.15Å; V13-L343 HydrophobicContact CG2-CD2 3.99Å
14R97.3Very high86.9Confident12 Ų1257.6 Ų57.65%0.04529%0.293CS..EExtended strand (participates in β ladder)trans-119.1115.6166.2-172.9-160.4-170.8156.715.4110.2F77 S81 I86 H118 T119 A327 V329R14-F77 HydrophobicContact CB-CB 4.26Å; R14-F77 HydrophobicContact CB-CD2 4.43Å; R14-F77 HydrophobicContact CG-CB 4.05Å; R14-S81 PolarHBondContact NH2-O 3.15Å; R14-I86 HydrophobicContact CG-CD1 4.08Å; R14-I86 VanDerWaalsContact NE-CD1 3.29Å; R14-H118 PolarHBondContact NH1-ND1 3.5Å; R14-T119 PolarHBondContact NH1-OG1 2.85Å; R14-A327 PolarHBondContact N-O 3Å; R14-V329 PolarHBondContact O-N 3.24Å
15V96.8Very high88.6Confident2 Ų258.3 Ų58.31%0.01229%0.293CS..EExtended strand (participates in β ladder)trans-78.4128.2162.9-1670000107.5V31 V33 F77 E79 V329 P331V15-V31 HydrophobicContact CG1-CG1 4.41Å; V15-V31 HydrophobicContact CG2-CG1 3.74Å; V15-V33 HydrophobicContact CG2-CG2 3.72Å; V15-F77 PolarHBondContact N-O 3.26Å; V15-E79 HydrophobicContact CG1-CG 3.96Å; V15-V329 HydrophobicContact CB-CG2 4.29Å; V15-V329 HydrophobicContact CG2-CG2 3.87Å; V15-P331 HydrophobicContact CG1-CB 4.09Å; V15-P331 HydrophobicContact CG1-CG 4.3Å
16R94.6Very high89.5Confident23 Ų2361.9 Ų61.99%0.08731%0.309CS..PPolyproline II helixtrans-86.4152.5170.265.9138.1176.685.31.7110.9N19 E22 G113 V329 S330 P331R16-N19 VanDerWaalsContact CZ-ND2 3.31Å; R16-N19 PolarHBondContact NH1-OD1 3.18Å; R16-N19 PolarHBondContact NH2-ND2 3.5Å; R16-E22 IonicContact CZ-OE1 2.7Å; R16-E22 IonicContact CZ-OE2 3.89Å; R16-E22 IonicContact NH1-OE1 3.84Å; R16-E22 IonicContact NH1-OE2 3Å; R16-E22 PolarHBondContact NH1-OE2 3.29Å; R16-E22 VanDerWaalsContact NH2-CD 3.31Å; R16-E22 IonicContact NH2-OE1 3.33Å; R16-E22 PolarHBondContact NH2-OE1 2.95Å; R16-E22 IonicContact NH2-OE2 3.49Å; R16-E22 PolarHBondContact NH2-OE2 3.42Å; R16-G113 WeakPolarHBondContact CD-O 3.11Å; R16-G113 PolarHBondContact NE-O 3.31Å; R16-V329 PolarHBondContact N-O 3.35Å; R16-V329 VanDerWaalsContact N-O 3.15Å; R16-S330 PolarHBondContact NH2-OG 3.25Å; R16-P331 WeakPolarHBondContact O-CD 3.21Å; R16-P331 VanDerWaalsContact O-CG 3.32Å; R16-P331 WeakPolarHBondContact O-CG 3.45Å
17P92.3Very high90.6Very high66 Ų6659 Ų5943%0.42929%0.29SS..PPolyproline II helixtrans-58154.4172.223.5-34000112.9N19 E79P17-N19 PolarHBondContact O-N 2.78Å; P17-E79 VanDerWaalsContact CA-OE2 3.27Å; P17-E79 WeakPolarHBondContact CA-OE2 3.35Å; P17-E79 HydrophobicContact CB-CB 4.21Å
18T89.8Confident90.9Very high38 Ų3861.3 Ų61.323%0.23330%0.295CS..PPolyproline II helixtrans-60.4128.6172.746.10000112.9K23 E79 P331T18-K23 VanDerWaalsContact O-CE 3.23Å; T18-K23 WeakPolarHBondContact O-CE 3.33Å; T18-K23 PolarHBondContact O-NZ 3.49Å; T18-E79 PolarHBondContact N-OE2 2.98Å; T18-P331 HydrophobicContact CG2-CB 4.36Å; T18-P331 HydrophobicContact CG2-CG 3.72Å
19N88.9Confident91Very high72 Ų7259.1 Ų59.139%0.38529%0.286SS..PPolyproline II helixtrans-80.4155.7-179.9-68.5-15.4000111.2R16 P17 N21 E22 K23R16-N19 VanDerWaalsContact CZ-ND2 3.31Å; R16-N19 PolarHBondContact NH1-OD1 3.18Å; R16-N19 PolarHBondContact NH2-ND2 3.5Å; P17-N19 PolarHBondContact O-N 2.78Å; N19-N21 PolarHBondContact O-N 2.87Å; N19-E22 HydrophobicContact CB-CG 4.27Å; N19-E22 WeakPolarHBondContact CB-OE2 2.95Å; N19-E22 PolarHBondContact N-OE2 2.76Å; N19-E22 WeakPolarHBondContact O-CA 3.23Å; N19-E22 WeakPolarHBondContact O-CB 3.38Å; N19-E22 PolarHBondContact O-N 3.03Å; N19-K23 PolarHBondContact O-N 3.14Å
20D88.1Confident91Very high103 Ų10359.2 Ų59.255%0.55129%0.287SS*.Hα-helixtrans-68.1-21.3-174.6-53.7-41.1000114.2K23 R24D20-K23 IonicContact OD1-NZ 2.91Å; D20-K23 PolarHBondContact OD1-NZ 2.97Å; D20-R24 WeakPolarHBondContact O-CB 3.15Å; D20-R24 VanDerWaalsContact O-CG 3.25Å; D20-R24 WeakPolarHBondContact O-CG 3.29Å; D20-R24 PolarHBondContact O-N 3.28Å; D20-R24 PolarHBondContact O-NE 2.93Å
21N86.6Confident90.9Very high96 Ų9656.2 Ų56.251%0.51328%0.275SS..Hα-helixtrans-65.8-40.3166.5-70.5-0.6000111.6N19 R24 E25N19-N21 PolarHBondContact O-N 2.87Å; N21-R24 PolarHBondContact O-N 3.25Å; N21-R24 PolarHBondContact OD1-NH2 3.5Å; N21-E25 WeakPolarHBondContact O-CB 3.49Å; N21-E25 WeakPolarHBondContact O-CG 3.41Å; N21-E25 PolarHBondContact O-N 3.34Å
22E88.6Confident90.8Very high23 Ų2361 Ų6111%0.10730%0.297CS..Hα-helixtrans-74.3-33.3-178.2-58.4170.2143.100111.4R16 N19 N26 C27 S332R16-E22 IonicContact CZ-OE1 2.7Å; R16-E22 IonicContact CZ-OE2 3.89Å; R16-E22 IonicContact NH1-OE1 3.84Å; R16-E22 IonicContact NH1-OE2 3Å; R16-E22 PolarHBondContact NH1-OE2 3.29Å; R16-E22 VanDerWaalsContact NH2-CD 3.31Å; R16-E22 IonicContact NH2-OE1 3.33Å; R16-E22 PolarHBondContact NH2-OE1 2.95Å; R16-E22 IonicContact NH2-OE2 3.49Å; R16-E22 PolarHBondContact NH2-OE2 3.42Å; N19-E22 HydrophobicContact CB-CG 4.27Å; N19-E22 WeakPolarHBondContact CB-OE2 2.95Å; N19-E22 PolarHBondContact N-OE2 2.76Å; N19-E22 WeakPolarHBondContact O-CA 3.23Å; N19-E22 WeakPolarHBondContact O-CB 3.38Å; N19-E22 PolarHBondContact O-N 3.03Å; E22-N26 PolarHBondContact O-N 3.45Å; E22-N26 VanDerWaalsContact O-N 3.14Å; E22-C27 HydrophobicContact CB-CB 4.14Å; E22-C27 PolarHBondContact O-N 2.86Å; E22-S332 VanDerWaalsContact CD-CB 3.47Å; E22-S332 WeakPolarHBondContact OE1-CB 3.4Å; E22-S332 PolarHBondContact OE1-OG 3.12Å
23K86.9Confident90.6Very high116 Ų11663.1 Ų63.150%0.50431%0.31SS..Hα-helixtrans-64.5-49.1168.7-61.6177.1-173.7124.10111.2T18 N19 D20 E25 N26T18-K23 VanDerWaalsContact O-CE 3.23Å; T18-K23 WeakPolarHBondContact O-CE 3.33Å; T18-K23 PolarHBondContact O-NZ 3.49Å; N19-K23 PolarHBondContact O-N 3.14Å; D20-K23 IonicContact OD1-NZ 2.91Å; D20-K23 PolarHBondContact OD1-NZ 2.97Å; K23-E25 VanDerWaalsContact C-N 3.3Å; K23-E25 PolarHBondContact O-N 3.36Å; K23-N26 PolarHBondContact O-N 2.95Å; K23-N26 VanDerWaalsContact O-N 3.1Å
24R88.1Confident90.4Very high195 Ų19566.6 Ų66.674%0.73633%0.331SS*.Hα-helixtrans-62.1-34.3178.3-77.7-173.4-68.1-167.52.6113.4D20 N21 N26D20-R24 WeakPolarHBondContact O-CB 3.15Å; D20-R24 VanDerWaalsContact O-CG 3.25Å; D20-R24 WeakPolarHBondContact O-CG 3.29Å; D20-R24 PolarHBondContact O-N 3.28Å; D20-R24 PolarHBondContact O-NE 2.93Å; N21-R24 PolarHBondContact O-N 3.25Å; N21-R24 PolarHBondContact OD1-NH2 3.5Å; R24-N26 VanDerWaalsContact C-N 3.33Å
25E86Confident90.2Very high112 Ų11269.2 Ų69.252%0.52335%0.346SS..THydrogen-bonded Turntrans-90.77.3176.8-65.4-177.4-94.300113.7N21 K23 C27 K334N21-E25 WeakPolarHBondContact O-CB 3.49Å; N21-E25 WeakPolarHBondContact O-CG 3.41Å; N21-E25 PolarHBondContact O-N 3.34Å; K23-E25 VanDerWaalsContact C-N 3.3Å; K23-E25 PolarHBondContact O-N 3.36Å; E25-C27 VanDerWaalsContact C-N 3.28Å; E25-C27 PolarHBondContact O-N 3.26Å; E25-K334 IonicContact OE1-NZ 2.66Å; E25-K334 PolarHBondContact OE1-NZ 2.86Å; E25-K334 WeakPolarHBondContact OE2-CE 3.49Å; E25-K334 IonicContact OE2-NZ 2.63Å; E25-K334 PolarHBondContact OE2-NZ 3.44Å
26N84.6Confident90.1Very high148 Ų14873.8 Ų73.879%0.79137%0.37SS*.THydrogen-bonded Turntrans48.245.3179.1-162.113.5000113.8E22 K23 R24 R28E22-N26 PolarHBondContact O-N 3.45Å; E22-N26 VanDerWaalsContact O-N 3.14Å; K23-N26 PolarHBondContact O-N 2.95Å; K23-N26 VanDerWaalsContact O-N 3.1Å; R24-N26 VanDerWaalsContact C-N 3.33Å; N26-R28 PolarHBondContact O-N 3.27Å
27C85.7Confident90.1Very high23 Ų2377.2 Ų77.216%0.15539%0.387CS..  trans-68.6115.7-178.8-65.90000110.8E22 E25 N29 S332E22-C27 HydrophobicContact CB-CB 4.14Å; E22-C27 PolarHBondContact O-N 2.86Å; E25-C27 VanDerWaalsContact C-N 3.28Å; E25-C27 PolarHBondContact O-N 3.26Å; C27-N29 PolarHBondContact O-N 3.38Å; C27-S332 WeakPolarHBondContact CB-OG 3.17Å
28R87.7Confident90.2Very high77 Ų7776.4 Ų76.429%0.29138%0.378SS..  trans-50132.1172.4168.9170.5165.2-149.3-18.1110.8N26 V30 D42 P43 E45 N66 S333N26-R28 PolarHBondContact O-N 3.27Å; R28-V30 HydrophobicContact CG-CG1 4.35Å; R28-D42 IonicContact NH2-OD1 3.58Å; R28-D42 PolarHBondContact NH2-OD1 2.9Å; R28-P43 PolarHBondContact NH2-O 2.87Å; R28-E45 IonicContact CZ-OE1 2.7Å; R28-E45 IonicContact NE-OE1 2.79Å; R28-E45 VanDerWaalsContact NH1-CD 3.33Å; R28-E45 IonicContact NH1-OE1 3.9Å; R28-E45 PolarHBondContact NH1-OE1 2.83Å; R28-N66 PolarHBondContact NH1-OD1 3.46Å; R28-N66 PolarHBondContact NH2-OD1 2.67Å; R28-S333 VanDerWaalsContact O-CB 3.31Å; R28-S333 WeakPolarHBondContact O-CB 3.35Å; R28-S333 PolarHBondContact O-N 3.44Å
29N89.5Confident90.5Very high63 Ų6374.6 Ų74.634%0.33737%0.367SS..BIsolated β-bridgetrans-70.5131.3168.8-163.4-23.6000109.8C27 V31 E79 P331C27-N29 PolarHBondContact O-N 3.38Å; N29-V31 PolarHBondContact OD1-N 3.2Å; N29-V31 PolarHBondContact OD1-O 3.42Å; N29-E79 PolarHBondContact ND2-OE1 2.82Å; N29-P331 CarbonylContact C-O 3.52Å; N29-P331 WeakPolarHBondContact CA-O 3.26Å; N29-P331 WeakPolarHBondContact OD1-CB 3.45Å; N29-P331 PolarHBondContact OD1-O 3.39Å
30V92.3Very high90.8Very high4 Ų472 Ų722%0.02435%0.353CS..  trans-119.29.5-178.9-56.90000112.9R28 F41 D42 P331 Y336R28-V30 HydrophobicContact CG-CG1 4.35Å; V30-F41 HydrophobicContact CG2-CE2 4.09Å; V30-D42 PolarHBondContact O-N 2.99Å; V30-P331 WeakPolarHBondContact CG2-O 3.34Å; V30-P331 PolarHBondContact N-O 3.39Å; V30-Y336 HydrophobicContact CB-CD2 4.24Å; V30-Y336 HydrophobicContact CG1-CD2 4.15Å; V30-Y336 HydrophobicContact CG2-CD2 4.21Å
31V93.6Very high91.1Very high7 Ų767.1 Ų67.14%0.04233%0.327CS..EExtended strand (participates in β ladder)trans-129.3116.6174.7-175.30000109.6V15 N29 L39 F41 T339V15-V31 HydrophobicContact CG1-CG1 4.41Å; V15-V31 HydrophobicContact CG2-CG1 3.74Å; N29-V31 PolarHBondContact OD1-N 3.2Å; N29-V31 PolarHBondContact OD1-O 3.42Å; V31-L39 HydrophobicContact CG1-CD1 4.42Å; V31-F41 HydrophobicContact CG2-CD2 4.28Å; V31-T339 HydrophobicContact CG2-CG2 3.84Å
32Q93.4Very high91.2Very high100 Ų10062.8 Ų62.847%0.46730%0.304SS..EExtended strand (participates in β ladder)trans-110.4113.5173.3-178.3177.87.200108.9L39 I40 P43Q32-L39 CarbonylContact O-C 3.56Å; Q32-L39 WeakPolarHBondContact O-CA 3.31Å; Q32-I40 HydrophobicContact CB-CB 4.5Å; Q32-I40 PolarHBondContact N-O 3.07Å; Q32-I40 PolarHBondContact O-N 3.25Å; Q32-P43 HydrophobicContact CB-CG 4.22Å
33V94.6Very high91Very high46 Ų4662.6 Ų62.628%0.27931%0.305SS..EExtended strand (participates in β ladder)trans-73.8134.2166.6-178.60000107.8V15 D35 V76 D78V15-V33 HydrophobicContact CG2-CG2 3.72Å; V33-D35 WeakPolarHBondContact CG1-O 3.42Å; V33-V76 HydrophobicContact CB-CG1 4.33Å; V33-V76 HydrophobicContact CG1-CB 4.45Å; V33-V76 HydrophobicContact CG1-CG1 3.71Å; V33-V76 HydrophobicContact CG2-CG1 3.71Å; V33-D78 HydrophobicContact CB-CB 4.35Å; V33-D78 HydrophobicContact CG1-CB 4.42Å; V33-D78 HydrophobicContact CG2-CB 4.21Å
34V93.1Very high90.7Very high72 Ų7263.5 Ų63.544%0.43631%0.308SS..  trans-105.6-41.3179.4-177.70000110.5M38 I40V34-M38 HydrophobicContact CB-CE 3.97Å; V34-M38 HydrophobicContact CG1-CE 3.77Å; V34-M38 HydrophobicContact CG2-CE 4.37Å; V34-M38 PolarHBondContact N-O 2.82Å; V34-I40 HydrophobicContact CG2-CD1 3.81Å; V34-I40 HydrophobicContact CG2-CG1 3.76Å
35D93.4Very high89.8Confident67 Ų6758.3 Ų58.336%0.35829%0.293SS..SBendtrans-154.9178.9176.661.964.5000110V33 H37 M38V33-D35 WeakPolarHBondContact CG1-O 3.42Å; D35-H37 PolarHBondContact O-N 3.08Å; D35-H37 WeakPolarHBondContact OD1-CA 3.42Å; D35-H37 PolarHBondContact OD1-N 3.42Å; D35-M38 PolarHBondContact N-O 3.45Å; D35-M38 PolarHBondContact O-N 3.31Å; D35-M38 PolarHBondContact OD1-N 3.01Å
36N93.7Very high88.4Confident98 Ų9861 Ų6152%0.52431%0.305SS..SBendtrans-62.9-1.2-178.5-66.731.6000114.9H75 V76N36-H75 PolarHBondContact ND2-NE2 3.48Å; N36-H75 CarbonylContact O-C 3.49Å; N36-H75 VanDerWaalsContact O-CA 3.23Å; N36-H75 WeakPolarHBondContact O-CA 3.28Å; N36-V76 PolarHBondContact O-N 3.43Å
37H95.1Very high86.5Confident95 Ų9560.7 Ų60.744%0.4430%0.303SS..SBendtrans-129.1-26.8178.2-56.490000113D35 V72 F73 V76D35-H37 PolarHBondContact O-N 3.08Å; D35-H37 WeakPolarHBondContact OD1-CA 3.42Å; D35-H37 PolarHBondContact OD1-N 3.42Å; H37-V72 HydrophobicContact CB-CG1 4.48Å; H37-V72 CarbonylContact O-C 3.59Å; H37-V72 WeakPolarHBondContact O-CA 3.25Å; H37-F73 PolarHBondContact O-N 2.78Å; H37-V76 WeakPolarHBondContact O-CG2 3.4Å
38M95.6Very high84.5Confident49 Ų4967.8 Ų67.824%0.24134%0.337CS..EExtended strand (participates in β ladder)trans-115.1136.4-174.9-174172.555.300114V34 D35 K70 F71 V72V34-M38 HydrophobicContact CB-CE 3.97Å; V34-M38 HydrophobicContact CG1-CE 3.77Å; V34-M38 HydrophobicContact CG2-CE 4.37Å; V34-M38 PolarHBondContact N-O 2.82Å; D35-M38 PolarHBondContact N-O 3.45Å; D35-M38 PolarHBondContact O-N 3.31Å; D35-M38 PolarHBondContact OD1-N 3.01Å; M38-K70 HydrophobicContact SD-CD 4.43Å; M38-F71 WeakPolarHBondContact CA-O 3.46Å; M38-V72 HydrophobicContact CB-CG2 4.39Å; M38-V72 HydrophobicContact CG-CG2 4.22Å
39L95.9Very high82.4Confident0 Ų068.1 Ų68.10%035%0.35CS..EExtended strand (participates in β ladder)trans-129.9153.3167.165.588.8000111.7V13 V31 Q32 K70 F71 F73 V76 L343V13-L39 HydrophobicContact CB-CD2 4.01Å; V13-L39 HydrophobicContact CG1-CD2 3.69Å; V13-L39 HydrophobicContact CG2-CD2 4.18Å; V31-L39 HydrophobicContact CG1-CD1 4.42Å; Q32-L39 CarbonylContact O-C 3.56Å; Q32-L39 WeakPolarHBondContact O-CA 3.31Å; L39-K70 WeakPolarHBondContact O-CA 3.21Å; L39-F71 HydrophobicContact CD1-CB 4.18Å; L39-F71 HydrophobicContact CD1-CD2 4.04Å; L39-F71 HydrophobicContact CG-CB 4.38Å; L39-F71 PolarHBondContact N-O 3.48Å; L39-F71 VanDerWaalsContact N-O 3.1Å; L39-F71 PolarHBondContact O-N 3.1Å; L39-F73 HydrophobicContact CD2-CD2 4.17Å; L39-F73 HydrophobicContact CD2-CE2 3.98Å; L39-F73 HydrophobicContact CG-CE2 4.3Å; L39-V76 HydrophobicContact CB-CG1 4.33Å; L39-V76 HydrophobicContact CD2-CG1 3.94Å; L39-V76 HydrophobicContact CD2-CG2 4.16Å; L39-L343 HydrophobicContact CD1-CD1 3.81Å; L39-L343 HydrophobicContact CD1-CD2 3.96Å; L39-L343 HydrophobicContact CD2-CD2 3.93Å
40I94.3Very high80.3Confident18 Ų1870 Ų709%0.09237%0.368CS..EExtended strand (participates in β ladder)trans-109.4121.7172.2-53.5178.7000108.2Q32 V34 P43 D68 K70Q32-I40 HydrophobicContact CB-CB 4.5Å; Q32-I40 PolarHBondContact N-O 3.07Å; Q32-I40 PolarHBondContact O-N 3.25Å; V34-I40 HydrophobicContact CG2-CD1 3.81Å; V34-I40 HydrophobicContact CG2-CG1 3.76Å; I40-P43 HydrophobicContact CG2-CB 3.9Å; I40-D68 WeakPolarHBondContact CG2-OD1 3.25Å; I40-K70 HydrophobicContact CG1-CG 4.21Å
41F93.7Very high78.2Confident0 Ų079.1 Ų79.10%041%0.407CS..EExtended strand (participates in β ladder)trans-95133.6170.1175.2-88.7000110.1V30 V31 L69 F71 Y336 T339 Q340 L343V30-F41 HydrophobicContact CG2-CE2 4.09Å; V31-F41 HydrophobicContact CG2-CD2 4.28Å; F41-L69 HydrophobicContact CB-CB 4.38Å; F41-L69 HydrophobicContact CD1-CD1 4.34Å; F41-L69 PolarHBondContact N-O 3.03Å; F41-L69 PolarHBondContact O-N 2.9Å; F41-F71 HydrophobicContact CB-CD2 4.29Å; F41-F71 HydrophobicContact CB-CE2 3.94Å; F41-Y336 HydrophobicContact CE1-CD2 4.11Å; F41-Y336 HydrophobicContact CE1-CE1 4.19Å; F41-Y336 AromaticContact CE1-CE2 3.64Å; F41-Y336 HydrophobicContact CE1-CE2 3.64Å; F41-Y336 AromaticContact CE1-CZ 3.66Å; F41-Y336 HydrophobicContact CE2-CD2 4.33Å; F41-Y336 HydrophobicContact CZ-CD1 4.09Å; F41-Y336 AromaticContact CZ-CD2 3.5Å; F41-Y336 HydrophobicContact CZ-CD2 3.5Å; F41-Y336 HydrophobicContact CZ-CE1 4.09Å; F41-Y336 AromaticContact CZ-CE2 3.54Å; F41-Y336 HydrophobicContact CZ-CE2 3.54Å; F41-Y336 AromaticContact CZ-CG 3.79Å; F41-Y336 HydrophobicContact CZ-CG 3.79Å; F41-Y336 AromaticContact CZ-CZ 3.83Å; F41-Y336 WeakPolarHBondContact CZ-O 3.3Å; F41-T339 HydrophobicContact CD2-CG2 3.84Å; F41-T339 HydrophobicContact CE2-CG2 3.74Å; F41-Q340 HydrophobicContact CE1-CB 3.91Å; F41-Q340 HydrophobicContact CE1-CG 4.42Å; F41-Q340 HydrophobicContact CE2-CB 4.31Å; F41-Q340 HydrophobicContact CZ-CB 3.74Å; F41-L343 HydrophobicContact CB-CD1 3.81Å; F41-L343 HydrophobicContact CD2-CD1 3.8Å; F41-L343 HydrophobicContact CG-CD1 4.04Å
42D89.3Confident76.1Confident6 Ų682.9 Ų82.93%0.03245%0.448CS..SBendtrans55.156.6-176.4-166.614000112.5R28 V30 N66 K67 D68 Y336R28-D42 IonicContact NH2-OD1 3.58Å; R28-D42 PolarHBondContact NH2-OD1 2.9Å; V30-D42 PolarHBondContact O-N 2.99Å; D42-N66 WeakPolarHBondContact OD1-CA 3.14Å; D42-N66 PolarHBondContact OD1-OD1 3.28Å; D42-N66 WeakPolarHBondContact OD2-CA 3.37Å; D42-K67 HydrophobicContact CB-CB 4.32Å; D42-K67 VanDerWaalsContact CG-N 3.29Å; D42-K67 PolarHBondContact O-N 2.72Å; D42-K67 PolarHBondContact OD2-N 3.35Å; D42-D68 WeakPolarHBondContact O-CA 3.07Å; D42-D68 PolarHBondContact O-N 3.46Å; D42-Y336 HydrophobicContact CB-CE2 3.8Å; D42-Y336 WeakPolarHBondContact OD2-CE2 3.49Å; D42-Y336 PolarHBondContact OD2-OH 3.36Å
43P85.3Confident73.6Confident19 Ų1983.6 Ų83.612%0.12346%0.464CS..PPolyproline II helixtrans-60.7154.8179.628.1-36.2000111R28 Q32 I40 E45R28-P43 PolarHBondContact NH2-O 2.87Å; Q32-P43 HydrophobicContact CB-CG 4.22Å; I40-P43 HydrophobicContact CG2-CB 3.9Å; P43-E45 PolarHBondContact O-N 2.79Å
44K80.4Confident71.1Confident134 Ų13490.4 Ų90.458%0.58349%0.492SS*.PPolyproline II helixtrans-65.1131.9175-66.1174.3-179.7124.30109.4E46 D68K44-E46 PolarHBondContact O-N 2.79Å; K44-D68 WeakPolarHBondContact CE-OD2 3.13Å; K44-D68 HydrophobicContact CG-CB 4.21Å; K44-D68 IonicContact NZ-OD2 2.77Å; K44-D68 PolarHBondContact NZ-OD2 2.96Å
45E68.9Low69Low86 Ų8696.8 Ų96.840%0.40251%0.509SS..PPolyproline II helixtrans-60.9118.5164.6-66.7165.8163.100107.7R28 P43 D47 K63 N66R28-E45 IonicContact CZ-OE1 2.7Å; R28-E45 IonicContact NE-OE1 2.79Å; R28-E45 VanDerWaalsContact NH1-CD 3.33Å; R28-E45 IonicContact NH1-OE1 3.9Å; R28-E45 PolarHBondContact NH1-OE1 2.83Å; P43-E45 PolarHBondContact O-N 2.79Å; E45-D47 PolarHBondContact O-N 3.5Å; E45-K63 IonicContact OE1-NZ 3.6Å; E45-K63 PolarHBondContact OE1-NZ 3.31Å; E45-K63 IonicContact OE2-NZ 2.77Å; E45-K63 PolarHBondContact OE2-NZ 3.14Å; E45-N66 PolarHBondContact N-ND2 3.41Å
46E55.7Low66.6Low169 Ų16999.3 Ų99.379%0.7953%0.526SS*.PPolyproline II helixtrans-74.4117.4173.7-68.9-169.1163.500109.3K44 M48K44-E46 PolarHBondContact O-N 2.79Å; E46-M48 PolarHBondContact O-N 2.85Å
47D45.7Very low64.4Low141 Ų141103.7 Ų103.775%0.75454%0.535SS*.  trans-68.381.4172.2-80.3-29.5000109.6E45 S49E45-D47 PolarHBondContact O-N 3.5Å; D47-S49 PolarHBondContact O-N 2.79Å; D47-S49 PolarHBondContact O-OG 3.43Å; D47-S49 VanDerWaalsContact O-OG 3.05Å
48M43.6Very low61.9Low173 Ų173105.6 Ų105.685%0.85255%0.549SS*.  trans-63.571.5168.9-87.9-157.9174.200111E46 C50E46-M48 PolarHBondContact O-N 2.85Å; M48-C50 VanDerWaalsContact C-N 3.33Å; M48-C50 PolarHBondContact O-N 3.43Å
49S43.8Very low59.8Low83 Ų83112.2 Ų112.258%0.5857%0.571SS**  trans-98.852.9179.545.50000110.5D47 F51D47-S49 PolarHBondContact O-N 2.79Å; D47-S49 PolarHBondContact O-OG 3.43Å; D47-S49 VanDerWaalsContact O-OG 3.05Å; S49-F51 PolarHBondContact O-N 2.81Å
50C46Very low57.6Low104 Ų104118.1 Ų118.170%0.70360%0.603SS**  trans-65.1123.8164.8-67.40000108.6M48M48-C50 VanDerWaalsContact C-N 3.33Å; M48-C50 PolarHBondContact O-N 3.43Å
51F46.3Very low55.9Low194 Ų194125 Ų12585%0.85164%0.638SS**SBendtrans67.693.8177.9-56.7-80.4000117.9S49 S53S49-F51 PolarHBondContact O-N 2.81Å; F51-S53 VanDerWaalsContact C-N 3.35Å; F51-S53 PolarHBondContact O-N 2.86Å
52G50.2Low54.2Low87 Ų87132.7 Ų132.790%0.89768%0.679SS**  79.3-26122.800000120.4
53S40.7Very low52.8Low114 Ų114138 Ų13880%0.79770%0.702SS**  trans-74.4139.8-172.5-73.40000114F51F51-S53 VanDerWaalsContact C-N 3.35Å; F51-S53 PolarHBondContact O-N 2.86Å
54Q43.5Very low51.7Low189 Ų189144.6 Ų144.688%0.88373%0.725SS**  trans-63.1134.7-175.5-72.9175.7-40.300112.8V56Q54-V56 PolarHBondContact O-N 2.83Å
55R48Very low51.1Low206 Ų206142.4 Ų142.478%0.77773%0.731SS**  trans-74.289.1-178.4-70.9176169158.3-4112.1R57R55-R57 PolarHBondContact O-N 2.86Å
56V43.6Very low51.5Low120 Ų120140.3 Ų140.373%0.72772%0.723SS**  trans-63.299161.61790000108.1Q54 N58Q54-V56 PolarHBondContact O-N 2.83Å; V56-N58 PolarHBondContact O-N 2.75Å
57R46.8Very low52.6Low190 Ų190136.1 Ų136.172%0.71770%0.702SS**  trans-82.849.9-165.6-152.1-176.8-162.5-173.77.7113R55 R59R55-R57 PolarHBondContact O-N 2.86Å; R57-R59 PolarHBondContact O-N 2.74Å
58N43Very low54.5Low135 Ų135131.5 Ų131.572%0.72268%0.677SS**  trans-6970.5175.5-77.12.1000111.3V56 N60V56-N58 PolarHBondContact O-N 2.75Å; N58-N60 PolarHBondContact O-N 2.91Å
59R51.6Low56.8Low188 Ų188126 Ų12671%0.70965%0.651SS**  trans-66.396.1166.4-80.6-178.8164.5-179.4-6.6108.3R57 I61R57-R59 PolarHBondContact O-N 2.74Å; R59-I61 PolarHBondContact O-N 3.42Å
60N49.9Very low59.2Low125 Ų125128.1 Ų128.167%0.66865%0.65SS**  trans-57.7101165.2-81-36.4000108.9N58 N62 K63N58-N60 PolarHBondContact O-N 2.91Å; N60-N62 PolarHBondContact O-N 3.42Å; N60-K63 HydrophobicContact CB-CB 4.3Å; N60-K63 WeakPolarHBondContact O-CB 3.34Å; N60-K63 PolarHBondContact O-N 2.92Å
61I57.7Low61.6Low162 Ų162124 Ų12483%0.83162%0.62SS**THydrogen-bonded Turntrans-57.4-25.4-176-61.5175.1000111.4R59R59-I61 PolarHBondContact O-N 3.42Å
62N57.4Low64Low162 Ų162118.5 Ų118.587%0.86660%0.602SS**THydrogen-bonded Turntrans-82.2-6177.9-60.8-18.2000114.7N60 R64N60-N62 PolarHBondContact O-N 3.42Å; N62-R64 PolarHBondContact O-N 2.82Å
63K60.1Low66.2Low118 Ų118114.5 Ų114.551%0.51356%0.56SS.*SBendtrans-79.4114.6178.3-162180-175.6-173.10109.3E45 N60 A65E45-K63 IonicContact OE1-NZ 3.6Å; E45-K63 PolarHBondContact OE1-NZ 3.31Å; E45-K63 IonicContact OE2-NZ 2.77Å; E45-K63 PolarHBondContact OE2-NZ 3.14Å; N60-K63 HydrophobicContact CB-CB 4.3Å; N60-K63 WeakPolarHBondContact O-CB 3.34Å; N60-K63 PolarHBondContact O-N 2.92Å; K63-A65 PolarHBondContact O-N 2.95Å
64R63.1Low68.8Low157 Ų157111.4 Ų111.459%0.59253%0.534SS*.PPolyproline II helixtrans-51.3132.4173.4-73.3-177.1177.5-177.5-0.4109.2N62 D337N62-R64 PolarHBondContact O-N 2.82Å; R64-D337 IonicContact CZ-OD2 3.69Å; R64-D337 IonicContact NH1-OD1 3.75Å; R64-D337 PolarHBondContact NH1-OD1 2.7Å; R64-D337 IonicContact NH1-OD2 2.64Å; R64-D337 PolarHBondContact NH1-OD2 2.76Å; R64-D337 IonicContact NH2-OD2 2.76Å; R64-D337 PolarHBondContact NH2-OD2 2.82Å
65A68.4Low71.3Confident87 Ų87103.3 Ų103.372%0.71950%0.497SS*.PPolyproline II helixtrans-69.1133.117500000110.7K63 K67K63-A65 PolarHBondContact O-N 2.95Å; A65-K67 PolarHBondContact O-N 3Å
66N75.7Confident73.7Confident43 Ų4393.7 Ų93.723%0.2346%0.461CS..PPolyproline II helixtrans-59.2124.9178.7-55.7-47.4000109.8R28 D42 E45R28-N66 PolarHBondContact NH1-OD1 3.46Å; R28-N66 PolarHBondContact NH2-OD1 2.67Å; D42-N66 WeakPolarHBondContact OD1-CA 3.14Å; D42-N66 PolarHBondContact OD1-OD1 3.28Å; D42-N66 WeakPolarHBondContact OD2-CA 3.37Å; E45-N66 PolarHBondContact N-ND2 3.41Å
67K78.4Confident76.2Confident81 Ų8188 Ų8835%0.35243%0.426SS..  trans-82.2-17.6-171.7-62.6176.6-175.7150.80115.4D42 A65 L69 Y336D42-K67 HydrophobicContact CB-CB 4.32Å; D42-K67 VanDerWaalsContact CG-N 3.29Å; D42-K67 PolarHBondContact O-N 2.72Å; D42-K67 PolarHBondContact OD2-N 3.35Å; A65-K67 PolarHBondContact O-N 3Å; K67-L69 VanDerWaalsContact C-N 3.32Å; K67-L69 HydrophobicContact CB-CD1 4.11Å; K67-L69 HydrophobicContact CB-CD2 4.36Å; K67-L69 HydrophobicContact CB-CG 3.77Å; K67-L69 HydrophobicContact CD-CD1 4.22Å; K67-L69 PolarHBondContact O-N 2.95Å; K67-Y336 VanDerWaalsContact CD-OH 3.23Å; K67-Y336 WeakPolarHBondContact CD-OH 3.1Å; K67-Y336 WeakPolarHBondContact CE-OH 3.38Å; K67-Y336 PolarHBondContact NZ-OH 2.91Å
68D87.4Confident78.5Confident43 Ų4381.3 Ų81.323%0.2341%0.405CS..  trans49.646.2176.5-165.926.4000113.8I40 D42 K44 K70I40-D68 WeakPolarHBondContact CG2-OD1 3.25Å; D42-D68 WeakPolarHBondContact O-CA 3.07Å; D42-D68 PolarHBondContact O-N 3.46Å; K44-D68 WeakPolarHBondContact CE-OD2 3.13Å; K44-D68 HydrophobicContact CG-CB 4.21Å; K44-D68 IonicContact NZ-OD2 2.77Å; K44-D68 PolarHBondContact NZ-OD2 2.96Å; D68-K70 PolarHBondContact O-N 3.32Å
69L91.3Very high80.8Confident58 Ų5877.5 Ų77.530%0.30438%0.383SS..EExtended strand (participates in β ladder)trans-87.3107.7-172.3-63.7179.7000111.1F41 K67 F71 Q340F41-L69 HydrophobicContact CB-CB 4.38Å; F41-L69 HydrophobicContact CD1-CD1 4.34Å; F41-L69 PolarHBondContact N-O 3.03Å; F41-L69 PolarHBondContact O-N 2.9Å; K67-L69 VanDerWaalsContact C-N 3.32Å; K67-L69 HydrophobicContact CB-CD1 4.11Å; K67-L69 HydrophobicContact CB-CD2 4.36Å; K67-L69 HydrophobicContact CB-CG 3.77Å; K67-L69 HydrophobicContact CD-CD1 4.22Å; K67-L69 PolarHBondContact O-N 2.95Å; L69-F71 HydrophobicContact CB-CD2 4.42Å; L69-F71 HydrophobicContact CB-CE2 3.77Å; L69-F71 HydrophobicContact CB-CZ 4.4Å; L69-F71 WeakPolarHBondContact O-CD2 3.43Å; L69-Q340 VanDerWaalsContact CD1-NE2 3.33Å
70K94.6Very high82.7Confident128 Ų12875.1 Ų75.156%0.55738%0.384SS*.EExtended strand (participates in β ladder)trans-82.3133.5175.9-45.6-162.9177.9-1720110.4M38 L39 I40 D68M38-K70 HydrophobicContact SD-CD 4.43Å; L39-K70 WeakPolarHBondContact O-CA 3.21Å; I40-K70 HydrophobicContact CG1-CG 4.21Å; D68-K70 PolarHBondContact O-N 3.32Å
71F95.8Very high84.8Confident18 Ų1870.2 Ų70.28%0.07936%0.36CS..EExtended strand (participates in β ladder)trans-128.8143.5176.1-66.5-92000110.2M38 L39 F41 L69 F73 L343 K344 N347M38-F71 WeakPolarHBondContact CA-O 3.46Å; L39-F71 HydrophobicContact CD1-CB 4.18Å; L39-F71 HydrophobicContact CD1-CD2 4.04Å; L39-F71 HydrophobicContact CG-CB 4.38Å; L39-F71 PolarHBondContact N-O 3.48Å; L39-F71 VanDerWaalsContact N-O 3.1Å; L39-F71 PolarHBondContact O-N 3.1Å; F41-F71 HydrophobicContact CB-CD2 4.29Å; F41-F71 HydrophobicContact CB-CE2 3.94Å; L69-F71 HydrophobicContact CB-CD2 4.42Å; L69-F71 HydrophobicContact CB-CE2 3.77Å; L69-F71 HydrophobicContact CB-CZ 4.4Å; L69-F71 WeakPolarHBondContact O-CD2 3.43Å; F71-F73 HydrophobicContact CB-CD2 4.23Å; F71-F73 HydrophobicContact CB-CE2 3.35Å; F71-F73 HydrophobicContact CB-CZ 3.75Å; F71-F73 HydrophobicContact CD1-CZ 4.18Å; F71-F73 HydrophobicContact CG-CE2 4.22Å; F71-F73 HydrophobicContact CG-CZ 4.25Å; F71-L343 HydrophobicContact CD1-CB 4.25Å; F71-L343 HydrophobicContact CD2-CB 4.21Å; F71-L343 HydrophobicContact CD2-CD1 4.1Å; F71-L343 HydrophobicContact CE1-CB 3.97Å; F71-L343 HydrophobicContact CE2-CB 3.92Å; F71-L343 HydrophobicContact CE2-CD1 3.98Å; F71-L343 HydrophobicContact CG-CB 4.37Å; F71-L343 HydrophobicContact CZ-CB 3.79Å; F71-K344 HydrophobicContact CE1-CG 4.33Å; F71-K344 HydrophobicContact CZ-CG 4.26Å; F71-N347 HydrophobicContact CD1-CB 4.21Å; F71-N347 HydrophobicContact CE1-CB 4.48Å
72V96.1Very high86.6Confident78 Ų7865.5 Ų65.547%0.47334%0.338SS..EExtended strand (participates in β ladder)trans-128.7114.3-175.4-175.40000111.8H37 M38 K350H37-V72 HydrophobicContact CB-CG1 4.48Å; H37-V72 CarbonylContact O-C 3.59Å; H37-V72 WeakPolarHBondContact O-CA 3.25Å; M38-V72 HydrophobicContact CB-CG2 4.39Å; M38-V72 HydrophobicContact CG-CG2 4.22Å; V72-K350 PolarHBondContact O-NZ 2.72Å
73F96.8Very high88.3Confident2 Ų257.8 Ų57.81%0.00930%0.297CS..  trans-114.1178.4-173.2-62-73000111.9V11 V13 H37 L39 F71 V76 L343 A346 N347V11-F73 HydrophobicContact CB-CD1 4.3Å; V11-F73 HydrophobicContact CG1-CD1 3.65Å; V11-F73 HydrophobicContact CG1-CE1 4.06Å; V13-F73 HydrophobicContact CB-CD2 4.26Å; V13-F73 HydrophobicContact CG2-CB 4.49Å; V13-F73 HydrophobicContact CG2-CD1 4.03Å; V13-F73 HydrophobicContact CG2-CD2 3.38Å; V13-F73 HydrophobicContact CG2-CE1 4.06Å; V13-F73 HydrophobicContact CG2-CE2 3.39Å; V13-F73 HydrophobicContact CG2-CG 3.69Å; V13-F73 HydrophobicContact CG2-CZ 3.75Å; H37-F73 PolarHBondContact O-N 2.78Å; L39-F73 HydrophobicContact CD2-CD2 4.17Å; L39-F73 HydrophobicContact CD2-CE2 3.98Å; L39-F73 HydrophobicContact CG-CE2 4.3Å; F71-F73 HydrophobicContact CB-CD2 4.23Å; F71-F73 HydrophobicContact CB-CE2 3.35Å; F71-F73 HydrophobicContact CB-CZ 3.75Å; F71-F73 HydrophobicContact CD1-CZ 4.18Å; F71-F73 HydrophobicContact CG-CE2 4.22Å; F71-F73 HydrophobicContact CG-CZ 4.25Å; F73-V76 HydrophobicContact CB-CG2 4.16Å; F73-V76 HydrophobicContact CD2-CG2 4.06Å; F73-L343 HydrophobicContact CE2-CD2 3.98Å; F73-L343 HydrophobicContact CZ-CD2 4.08Å; F73-A346 HydrophobicContact CE1-CB 3.68Å; F73-A346 HydrophobicContact CZ-CB 4.18Å; F73-N347 HydrophobicContact CE1-CB 4.32Å
74D95.4Very high90Very high49 Ų4955.8 Ų55.826%0.26229%0.291SS..SBendtrans-88.1-11.3179.1-50-49.5000112.6K10 V11 K350K10-D74 WeakPolarHBondContact CA-OD2 3.29Å; K10-D74 HydrophobicContact CD-CB 4.36Å; K10-D74 HydrophobicContact CG-CB 3.65Å; V11-D74 PolarHBondContact N-OD2 3.49Å; V11-D74 WeakPolarHBondContact O-CB 3.24Å; V11-D74 PolarHBondContact O-N 2.66Å; D74-K350 WeakPolarHBondContact OD1-CE 3.45Å; D74-K350 IonicContact OD1-NZ 2.74Å; D74-K350 PolarHBondContact OD1-NZ 2.98Å
75H96.4Very high91.5Very high20 Ų2051.3 Ų51.39%0.09328%0.279CS..EExtended strand (participates in β ladder)trans-160.9151.7154.2-154-90.8000109.5V12 V13 N36 F77V12-H75 CarbonylContact C-O 3.58Å; V12-H75 WeakPolarHBondContact CA-O 3.33Å; V12-H75 HydrophobicContact CB-CB 4.08Å; V12-H75 HydrophobicContact CG1-CB 3.61Å; V13-H75 PolarHBondContact N-O 3Å; N36-H75 PolarHBondContact ND2-NE2 3.48Å; N36-H75 CarbonylContact O-C 3.49Å; N36-H75 VanDerWaalsContact O-CA 3.23Å; N36-H75 WeakPolarHBondContact O-CA 3.28Å; H75-F77 HydrophobicContact CB-CE2 4.25Å; H75-F77 HydrophobicContact CB-CZ 4.25Å; H75-F77 AromaticContact CE1-CD1 3.77Å; H75-F77 AromaticContact CE1-CE1 3.54Å; H75-F77 AromaticContact CG-CZ 3.93Å; H75-F77 AromaticContact ND1-CD1 3.5Å; H75-F77 WeakPolarHBondContact ND1-CD1 3.39Å; H75-F77 AromaticContact ND1-CE1 3.25Å; H75-F77 WeakPolarHBondContact ND1-CE1 3.14Å; H75-F77 AromaticContact ND1-CE2 3.79Å; H75-F77 AromaticContact ND1-CG 3.87Å; H75-F77 AromaticContact ND1-CZ 3.4Å; H75-F77 WeakPolarHBondContact ND1-CZ 3.25Å
76V97.4Very high92.8Very high4 Ų447.1 Ų47.12%0.02425%0.245CC..EExtended strand (participates in β ladder)trans-125.4125.6168.9-179.60000107.8V13 V33 N36 H37 L39 F73V13-V76 CarbonylContact O-C 3.56Å; V13-V76 WeakPolarHBondContact O-CA 3.26Å; V33-V76 HydrophobicContact CB-CG1 4.33Å; V33-V76 HydrophobicContact CG1-CB 4.45Å; V33-V76 HydrophobicContact CG1-CG1 3.71Å; V33-V76 HydrophobicContact CG2-CG1 3.71Å; N36-V76 PolarHBondContact O-N 3.43Å; H37-V76 WeakPolarHBondContact O-CG2 3.4Å; L39-V76 HydrophobicContact CB-CG1 4.33Å; L39-V76 HydrophobicContact CD2-CG1 3.94Å; L39-V76 HydrophobicContact CD2-CG2 4.16Å; F73-V76 HydrophobicContact CB-CG2 4.16Å; F73-V76 HydrophobicContact CD2-CG2 4.06Å
77F96.7Very high93.7Very high1 Ų145.5 Ų45.50%0.00424%0.236CC..EExtended strand (participates in β ladder)trans-103.2130.3173.7-58.1-77.2000108.8V12 V13 R14 V15 H75 I86 N89 T90V12-F77 HydrophobicContact CB-CE2 3.95Å; V12-F77 HydrophobicContact CG1-CE2 4.43Å; V12-F77 HydrophobicContact CG2-CE2 3.97Å; V13-F77 WeakPolarHBondContact O-CD2 3.44Å; V13-F77 PolarHBondContact O-N 3.19Å; R14-F77 HydrophobicContact CB-CB 4.26Å; R14-F77 HydrophobicContact CB-CD2 4.43Å; R14-F77 HydrophobicContact CG-CB 4.05Å; V15-F77 PolarHBondContact N-O 3.26Å; H75-F77 HydrophobicContact CB-CE2 4.25Å; H75-F77 HydrophobicContact CB-CZ 4.25Å; H75-F77 AromaticContact CE1-CD1 3.77Å; H75-F77 AromaticContact CE1-CE1 3.54Å; H75-F77 AromaticContact CG-CZ 3.93Å; H75-F77 AromaticContact ND1-CD1 3.5Å; H75-F77 WeakPolarHBondContact ND1-CD1 3.39Å; H75-F77 AromaticContact ND1-CE1 3.25Å; H75-F77 WeakPolarHBondContact ND1-CE1 3.14Å; H75-F77 AromaticContact ND1-CE2 3.79Å; H75-F77 AromaticContact ND1-CG 3.87Å; H75-F77 AromaticContact ND1-CZ 3.4Å; H75-F77 WeakPolarHBondContact ND1-CZ 3.25Å; F77-I86 HydrophobicContact CB-CG1 4.46Å; F77-I86 HydrophobicContact CD1-CG1 3.76Å; F77-I86 HydrophobicContact CD2-CG1 3.99Å; F77-I86 HydrophobicContact CE1-CB 4.41Å; F77-I86 HydrophobicContact CE1-CG1 3.9Å; F77-I86 HydrophobicContact CE2-CG1 4.12Å; F77-I86 HydrophobicContact CE2-CG2 4.36Å; F77-I86 HydrophobicContact CG-CG1 3.81Å; F77-I86 HydrophobicContact CZ-CB 4.3Å; F77-I86 HydrophobicContact CZ-CG1 4.09Å; F77-N89 HydrophobicContact CE1-CB 4.07Å; F77-N89 HydrophobicContact CZ-CB 3.78Å; F77-T90 HydrophobicContact CE2-CG2 4.18Å; F77-T90 HydrophobicContact CZ-CG2 4.31Å
78D94.4Very high94.5Very high49 Ų4945.3 Ų45.326%0.26224%0.236SC..  trans-85.6-175.8-179.878.6-37000112.5V33 N80 S81V33-D78 HydrophobicContact CB-CB 4.35Å; V33-D78 HydrophobicContact CG1-CB 4.42Å; V33-D78 HydrophobicContact CG2-CB 4.21Å; D78-N80 PolarHBondContact O-N 2.81Å; D78-N80 PolarHBondContact OD1-N 3.08Å; D78-N80 WeakPolarHBondContact OD2-CB 3.21Å; D78-N80 PolarHBondContact OD2-N 2.93Å; D78-N80 PolarHBondContact OD2-ND2 3.5Å; D78-S81 PolarHBondContact N-OG 3.24Å; D78-S81 PolarHBondContact O-N 3.28Å; D78-S81 WeakPolarHBondContact OD1-CB 3.23Å; D78-S81 PolarHBondContact OD1-N 3.21Å; D78-S81 PolarHBondContact OD1-OG 3.4Å
79E91.4Very high94.7Very high55 Ų5546.7 Ų46.726%0.25724%0.244SC..THydrogen-bonded Turntrans-64.4-19.9179.2-65-168.7-141.800113.4V15 P17 T18 N29V15-E79 HydrophobicContact CG1-CG 3.96Å; P17-E79 VanDerWaalsContact CA-OE2 3.27Å; P17-E79 WeakPolarHBondContact CA-OE2 3.35Å; P17-E79 HydrophobicContact CB-CB 4.21Å; T18-E79 PolarHBondContact N-OE2 2.98Å; N29-E79 PolarHBondContact ND2-OE1 2.82Å
80N92.8Very high94.8Very high137 Ų13744.1 Ų44.173%0.73323%0.23SC*.THydrogen-bonded Turntrans-92.9-17.8-179.5-54.9-71.7000114D78 T82D78-N80 PolarHBondContact O-N 2.81Å; D78-N80 PolarHBondContact OD1-N 3.08Å; D78-N80 WeakPolarHBondContact OD2-CB 3.21Å; D78-N80 PolarHBondContact OD2-N 2.93Å; D78-N80 PolarHBondContact OD2-ND2 3.5Å; N80-T82 PolarHBondContact O-N 2.82Å
81S94.1Very high94.6Very high23 Ų2338 Ų3816%0.16120%0.204CC..  trans-61.8123.4-173-700000114R14 D78R14-S81 PolarHBondContact NH2-O 3.15Å; D78-S81 PolarHBondContact N-OG 3.24Å; D78-S81 PolarHBondContact O-N 3.28Å; D78-S81 WeakPolarHBondContact OD1-CB 3.23Å; D78-S81 PolarHBondContact OD1-N 3.21Å; D78-S81 PolarHBondContact OD1-OG 3.4Å
82T94.4Very high94.4Very high62 Ų6240.3 Ų40.338%0.3821%0.214SC..  trans-79.5167.1-174.677.10000112.9N80 L84 D85 I86N80-T82 PolarHBondContact O-N 2.82Å; T82-L84 PolarHBondContact O-N 2.96Å; T82-L84 PolarHBondContact OG1-N 3.29Å; T82-D85 WeakPolarHBondContact CA-OD2 3.4Å; T82-D85 VanDerWaalsContact CB-OD2 3.24Å; T82-D85 WeakPolarHBondContact CB-OD2 3.38Å; T82-D85 WeakPolarHBondContact CG2-OD2 3.31Å; T82-D85 PolarHBondContact N-OD2 2.86Å; T82-D85 PolarHBondContact O-N 3.29Å; T82-D85 PolarHBondContact OG1-N 2.88Å; T82-D85 PolarHBondContact OG1-OD2 3.11Å; T82-I86 WeakPolarHBondContact O-CD1 3.23Å; T82-I86 WeakPolarHBondContact O-CG1 3.4Å; T82-I86 PolarHBondContact O-N 3.31Å
83Q94.6Very high94.1Very high1 Ų138 Ų381%0.00521%0.206CC..Hα-helixtrans-64.5-23.7173.3-55.1-84.386.800112.6F87 H118 G122 D126 P127 G128Q83-F87 WeakPolarHBondContact O-CB 3.19Å; Q83-F87 PolarHBondContact O-N 3.34Å; Q83-F87 VanDerWaalsContact O-N 3.14Å; Q83-H118 PolarHBondContact NE2-O 3.45Å; Q83-H118 PolarHBondContact OE1-CE1 3.42Å; Q83-H118 PolarHBondContact OE1-ND1 3.14Å; Q83-G122 VanDerWaalsContact NE2-CA 3.33Å; Q83-D126 VanDerWaalsContact CB-OD1 3.31Å; Q83-D126 WeakPolarHBondContact CB-OD1 3.33Å; Q83-D126 HydrophobicContact CG-CB 4.31Å; Q83-D126 VanDerWaalsContact CG-OD1 3.28Å; Q83-D126 WeakPolarHBondContact CG-OD1 3.14Å; Q83-D126 WeakPolarHBondContact CG-OD2 3.47Å; Q83-P127 WeakPolarHBondContact CB-O 3.42Å; Q83-G128 VanDerWaalsContact NE2-CA 3.33Å
84L94.8Very high93.8Very high75 Ų7538 Ų3839%0.39321%0.206SC..Hα-helixtrans-71.1-51.1174.8-179.760.9000110.4T82 I86 F87 E88T82-L84 PolarHBondContact O-N 2.96Å; T82-L84 PolarHBondContact OG1-N 3.29Å; L84-I86 PolarHBondContact O-N 3.13Å; L84-F87 HydrophobicContact CD1-CD1 4.46Å; L84-F87 WeakPolarHBondContact O-CA 3.19Å; L84-F87 WeakPolarHBondContact O-CB 3.49Å; L84-F87 PolarHBondContact O-N 3.41Å; L84-E88 HydrophobicContact CD1-CG 4Å; L84-E88 HydrophobicContact CG-CG 4.12Å; L84-E88 WeakPolarHBondContact O-CG 3.44Å; L84-E88 PolarHBondContact O-N 3.41Å
85D94.8Very high93.6Very high63 Ų6335.7 Ų35.734%0.33719%0.194SC..Hα-helixtrans-58.1-39-178.5-49.8-50000111.6T82 N89T82-D85 WeakPolarHBondContact CA-OD2 3.4Å; T82-D85 VanDerWaalsContact CB-OD2 3.24Å; T82-D85 WeakPolarHBondContact CB-OD2 3.38Å; T82-D85 WeakPolarHBondContact CG2-OD2 3.31Å; T82-D85 PolarHBondContact N-OD2 2.86Å; T82-D85 PolarHBondContact O-N 3.29Å; T82-D85 PolarHBondContact OG1-N 2.88Å; T82-D85 PolarHBondContact OG1-OD2 3.11Å; D85-N89 WeakPolarHBondContact O-CB 3.32Å; D85-N89 PolarHBondContact O-N 3.33Å; D85-N89 PolarHBondContact O-ND2 2.67Å
86I95.2Very high93.4Very high0 Ų038 Ų380%021%0.206CC..Hα-helixtrans-66.6-46.5175.1-63.4161.3000110.6R14 F77 T82 L84 T90 T119 V129R14-I86 HydrophobicContact CG-CD1 4.08Å; R14-I86 VanDerWaalsContact NE-CD1 3.29Å; F77-I86 HydrophobicContact CB-CG1 4.46Å; F77-I86 HydrophobicContact CD1-CG1 3.76Å; F77-I86 HydrophobicContact CD2-CG1 3.99Å; F77-I86 HydrophobicContact CE1-CB 4.41Å; F77-I86 HydrophobicContact CE1-CG1 3.9Å; F77-I86 HydrophobicContact CE2-CG1 4.12Å; F77-I86 HydrophobicContact CE2-CG2 4.36Å; F77-I86 HydrophobicContact CG-CG1 3.81Å; F77-I86 HydrophobicContact CZ-CB 4.3Å; F77-I86 HydrophobicContact CZ-CG1 4.09Å; T82-I86 WeakPolarHBondContact O-CD1 3.23Å; T82-I86 WeakPolarHBondContact O-CG1 3.4Å; T82-I86 PolarHBondContact O-N 3.31Å; L84-I86 PolarHBondContact O-N 3.13Å; I86-T90 HydrophobicContact CG2-CG2 4.19Å; I86-T90 VanDerWaalsContact O-CB 3.26Å; I86-T90 WeakPolarHBondContact O-CB 2.79Å; I86-T90 VanDerWaalsContact O-CG2 3.29Å; I86-T90 WeakPolarHBondContact O-CG2 3.16Å; I86-T90 PolarHBondContact O-N 3.42Å; I86-T90 PolarHBondContact O-OG1 2.67Å; I86-T119 HydrophobicContact CD1-CG2 4.5Å; I86-T119 HydrophobicContact CG2-CG2 3.85Å; I86-V129 HydrophobicContact CG2-CG2 3.98Å
87F95.9Very high93Very high9 Ų938 Ų384%0.03921%0.207CC..Hα-helixtrans-60.2-46.2177.4167.3-105.7000112.2Q83 L84 T91 K92 L95 R132 T133 E136Q83-F87 WeakPolarHBondContact O-CB 3.19Å; Q83-F87 PolarHBondContact O-N 3.34Å; Q83-F87 VanDerWaalsContact O-N 3.14Å; L84-F87 HydrophobicContact CD1-CD1 4.46Å; L84-F87 WeakPolarHBondContact O-CA 3.19Å; L84-F87 WeakPolarHBondContact O-CB 3.49Å; L84-F87 PolarHBondContact O-N 3.41Å; F87-T91 PolarHBondContact O-N 2.94Å; F87-K92 HydrophobicContact CE1-CB 4.18Å; F87-K92 HydrophobicContact CE1-CG 4.48Å; F87-K92 HydrophobicContact CZ-CB 4.15Å; F87-K92 PolarHBondContact O-N 3.36Å; F87-L95 HydrophobicContact CZ-CD1 4.44Å; F87-R132 HydrophobicContact CB-CB 4.2Å; F87-R132 HydrophobicContact CD1-CB 4.03Å; F87-R132 HydrophobicContact CD2-CB 3.69Å; F87-R132 HydrophobicContact CE1-CB 4.37Å; F87-R132 HydrophobicContact CE2-CB 4.08Å; F87-R132 HydrophobicContact CG-CB 3.67Å; F87-R132 HydrophobicContact CZ-CB 4.38Å; F87-T133 WeakPolarHBondContact CE2-OG1 3.45Å; F87-E136 HydrophobicContact CE1-CB 4.48Å; F87-E136 HydrophobicContact CZ-CB 3.78Å; F87-E136 HydrophobicContact CZ-CG 3.92Å
88E94.7Very high92.8Very high77 Ų7738 Ų3836%0.3621%0.207SC..Iπ-helixtrans-58.5-50.9178.7-64.5-96.2123.600111.3L84 K92L84-E88 HydrophobicContact CD1-CG 4Å; L84-E88 HydrophobicContact CG-CG 4.12Å; L84-E88 WeakPolarHBondContact O-CG 3.44Å; L84-E88 PolarHBondContact O-N 3.41Å; E88-K92 HydrophobicContact CB-CD 4.37Å; E88-K92 HydrophobicContact CG-CD 4.44Å; E88-K92 WeakPolarHBondContact O-CB 3.1Å; E88-K92 WeakPolarHBondContact OE1-CD 3.34Å; E88-K92 IonicContact OE1-NZ 2.78Å; E88-K92 PolarHBondContact OE1-NZ 2.89Å; E88-K92 IonicContact OE2-NZ 2.76Å; E88-K92 PolarHBondContact OE2-NZ 2.64Å
89N92.1Very high92.6Very high72 Ų7236.7 Ų36.739%0.38520%0.2SC..Iπ-helixtrans-85.3-10.2-173.9-71.4-74.9000114.3K10 F77 D85K10-N89 PolarHBondContact NZ-O 2.83Å; F77-N89 HydrophobicContact CE1-CB 4.07Å; F77-N89 HydrophobicContact CZ-CB 3.78Å; D85-N89 WeakPolarHBondContact O-CB 3.32Å; D85-N89 PolarHBondContact O-N 3.33Å; D85-N89 PolarHBondContact O-ND2 2.67Å
90T92Very high92.5Very high4 Ų438.8 Ų38.83%0.02521%0.213CC..Iπ-helixtrans-106.7-65.3174.662.70000113.2V12 F77 I86 V94 I326V12-T90 HydrophobicContact CG1-CG2 4.22Å; V12-T90 HydrophobicContact CG2-CG2 3.71Å; F77-T90 HydrophobicContact CE2-CG2 4.18Å; F77-T90 HydrophobicContact CZ-CG2 4.31Å; I86-T90 HydrophobicContact CG2-CG2 4.19Å; I86-T90 VanDerWaalsContact O-CB 3.26Å; I86-T90 WeakPolarHBondContact O-CB 2.79Å; I86-T90 VanDerWaalsContact O-CG2 3.29Å; I86-T90 WeakPolarHBondContact O-CG2 3.16Å; I86-T90 PolarHBondContact O-N 3.42Å; I86-T90 PolarHBondContact O-OG1 2.67Å; T90-V94 VanDerWaalsContact O-CG2 3.27Å; T90-V94 WeakPolarHBondContact O-CG2 3.21Å; T90-I326 HydrophobicContact CG2-CD1 4.19Å; T90-I326 HydrophobicContact CG2-CG1 4.33Å
91T91.3Very high92.3Very high0 Ų032.3 Ų32.30%018%0.178CC..Iπ-helixtrans-110-22.7-154.3-50.30000112.8F87 G93 V94 L95 V106 V129 T133 M251F87-T91 PolarHBondContact O-N 2.94Å; T91-G93 PolarHBondContact O-N 3.3Å; T91-V94 HydrophobicContact CG2-CB 4.43Å; T91-V94 WeakPolarHBondContact O-CA 3.42Å; T91-V94 WeakPolarHBondContact O-CB 3.42Å; T91-V94 PolarHBondContact O-N 2.95Å; T91-L95 PolarHBondContact O-N 3.12Å; T91-V106 HydrophobicContact CG2-CG2 4.03Å; T91-V129 HydrophobicContact CG2-CG1 4.12Å; T91-V129 VanDerWaalsContact OG1-CG1 3.23Å; T91-V129 WeakPolarHBondContact OG1-CG1 3.25Å; T91-T133 HydrophobicContact CG2-CG2 3.86Å; T91-T133 WeakPolarHBondContact CG2-OG1 3.11Å; T91-M251 HydrophobicContact CG2-CE 3.64Å
92K92.1Very high92.2Very high66 Ų6633.5 Ų33.529%0.28718%0.181SC..Iπ-helixtrans-52.3-52.5168.7-173176.1178.21770111.1F87 E88 V94 L95F87-K92 HydrophobicContact CE1-CB 4.18Å; F87-K92 HydrophobicContact CE1-CG 4.48Å; F87-K92 HydrophobicContact CZ-CB 4.15Å; F87-K92 PolarHBondContact O-N 3.36Å; E88-K92 HydrophobicContact CB-CD 4.37Å; E88-K92 HydrophobicContact CG-CD 4.44Å; E88-K92 WeakPolarHBondContact O-CB 3.1Å; E88-K92 WeakPolarHBondContact OE1-CD 3.34Å; E88-K92 IonicContact OE1-NZ 2.78Å; E88-K92 PolarHBondContact OE1-NZ 2.89Å; E88-K92 IonicContact OE2-NZ 2.76Å; E88-K92 PolarHBondContact OE2-NZ 2.64Å; K92-V94 PolarHBondContact O-N 3.22Å; K92-L95 WeakPolarHBondContact O-CB 3.47Å; K92-L95 PolarHBondContact O-N 2.87Å
93G88.4Confident92.1Very high30 Ų3031.5 Ų31.531%0.30917%0.168SC..Hα-helixtrans-71.7-4.8174.900000115.9T91 R322T91-G93 PolarHBondContact O-N 3.3Å; G93-R322 PolarHBondContact O-NH1 3.28Å
94V90.1Very high92.1Very high2 Ų231.5 Ų31.51%0.01217%0.167CC..Hα-helixtrans-90.7-33172175.70000110.5T90 T91 K92 D96 G97 V98 C104 V106 M251 V324T90-V94 VanDerWaalsContact O-CG2 3.27Å; T90-V94 WeakPolarHBondContact O-CG2 3.21Å; T91-V94 HydrophobicContact CG2-CB 4.43Å; T91-V94 WeakPolarHBondContact O-CA 3.42Å; T91-V94 WeakPolarHBondContact O-CB 3.42Å; T91-V94 PolarHBondContact O-N 2.95Å; K92-V94 PolarHBondContact O-N 3.22Å; V94-D96 PolarHBondContact O-N 3.43Å; V94-G97 WeakPolarHBondContact O-CA 3.47Å; V94-G97 PolarHBondContact O-N 2.95Å; V94-V98 PolarHBondContact O-N 2.98Å; V94-V98 VanDerWaalsContact O-N 3.1Å; V94-C104 HydrophobicContact CG1-CB 3.43Å; V94-C104 VanDerWaalsContact CG1-CB 3.43Å; V94-V106 HydrophobicContact CG1-CG2 4.47Å; V94-M251 HydrophobicContact CG1-CE 3.92Å; V94-V324 HydrophobicContact CG2-CG2 3.57Å
95L93.1Very high92.2Very high0 Ų028 Ų280%015%0.149CC..Hα-helixtrans-59-34.5173.6-73.3171.4000112.1F87 T91 K92 G97 V98 M99 T133 E136 L137 M251F87-L95 HydrophobicContact CZ-CD1 4.44Å; T91-L95 PolarHBondContact O-N 3.12Å; K92-L95 WeakPolarHBondContact O-CB 3.47Å; K92-L95 PolarHBondContact O-N 2.87Å; L95-G97 PolarHBondContact O-N 2.88Å; L95-V98 PolarHBondContact O-N 3.31Å; L95-V98 VanDerWaalsContact O-N 3.14Å; L95-M99 WeakPolarHBondContact O-CB 3.5Å; L95-M99 WeakPolarHBondContact O-CG 3.46Å; L95-M99 PolarHBondContact O-N 3.31Å; L95-T133 HydrophobicContact CD1-CG2 4.17Å; L95-T133 HydrophobicContact CD2-CG2 3.76Å; L95-T133 HydrophobicContact CG-CG2 4.12Å; L95-E136 HydrophobicContact CD1-CB 3.88Å; L95-E136 HydrophobicContact CD1-CG 3.54Å; L95-L137 HydrophobicContact CD2-CB 3.89Å; L95-L137 HydrophobicContact CD2-CD1 4.06Å; L95-L137 HydrophobicContact CD2-CG 4.38Å; L95-M251 HydrophobicContact CD2-CE 4.01Å; L95-M251 HydrophobicContact CD2-SD 4.1Å; L95-M251 HydrophobicContact CG-CE 4.44Å
96D91Very high92.3Very high67 Ų6725 Ų2536%0.35813%0.133SC..Hα-helixtrans-63.7-28.2173.1-50.7-45.2000112V94 N100 R140V94-D96 PolarHBondContact O-N 3.43Å; D96-N100 WeakPolarHBondContact O-CB 3.28Å; D96-N100 PolarHBondContact O-N 3.19Å; D96-N100 PolarHBondContact O-ND2 3.19Å; D96-R140 IonicContact OD1-CZ 3.87Å; D96-R140 VanDerWaalsContact OD1-CZ 3.24Å; D96-R140 IonicContact OD1-NE 3.8Å; D96-R140 PolarHBondContact OD1-NE 3.24Å; D96-R140 IonicContact OD1-NH2 2.67Å; D96-R140 PolarHBondContact OD1-NH2 2.87Å; D96-R140 IonicContact OD2-NH2 3.86Å
97G90.2Very high92.3Very high4 Ų425 Ų254%0.04113%0.133CC..Hα-helixtrans-70.7-45.7170.400000112.4V94 L95 M99 N100 G101 F102V94-G97 WeakPolarHBondContact O-CA 3.47Å; V94-G97 PolarHBondContact O-N 2.95Å; L95-G97 PolarHBondContact O-N 2.88Å; G97-M99 VanDerWaalsContact C-N 3.3Å; G97-M99 PolarHBondContact O-N 3.1Å; G97-N100 CarbonylContact O-C 3.55Å; G97-N100 PolarHBondContact O-N 2.78Å; G97-N100 VanDerWaalsContact O-N 3.12Å; G97-G101 PolarHBondContact O-N 2.7Å; G97-F102 WeakPolarHBondContact O-CB 3.2Å; G97-F102 PolarHBondContact O-N 2.96Å
98V92.3Very high92.4Very high1 Ų124.6 Ų24.61%0.00613%0.132CC..Hα-helixtrans-59.7-42.1175.2-179.70000110.8V94 L95 N100 G101 C104 L233 A249 M251V94-V98 PolarHBondContact O-N 2.98Å; V94-V98 VanDerWaalsContact O-N 3.1Å; L95-V98 PolarHBondContact O-N 3.31Å; L95-V98 VanDerWaalsContact O-N 3.14Å; V98-N100 PolarHBondContact O-N 3.14Å; V98-G101 PolarHBondContact O-N 2.87Å; V98-C104 HydrophobicContact CG2-CB 3.73Å; V98-L233 HydrophobicContact CG1-CB 4.3Å; V98-L233 HydrophobicContact CG1-CD2 3.97Å; V98-A249 HydrophobicContact CB-CB 4.45Å; V98-A249 HydrophobicContact CG1-CB 3.85Å; V98-A249 WeakPolarHBondContact O-CB 3.41Å; V98-M251 HydrophobicContact CG2-CB 3.99Å; V98-M251 HydrophobicContact CG2-CE 4.25Å; V98-M251 HydrophobicContact CG2-CG 3.98Å; V98-M251 HydrophobicContact CG2-SD 4.02Å
99M90.6Very high92.4Very high23 Ų2321.6 Ų21.611%0.11312%0.117CC..Hα-helixtrans-69.9-17178.5-69-62.3-70.400113.8L95 G97 L137 R140 A144 F150 L233 Q235L95-M99 WeakPolarHBondContact O-CB 3.5Å; L95-M99 WeakPolarHBondContact O-CG 3.46Å; L95-M99 PolarHBondContact O-N 3.31Å; G97-M99 VanDerWaalsContact C-N 3.3Å; G97-M99 PolarHBondContact O-N 3.1Å; M99-L137 HydrophobicContact SD-CD1 4.29Å; M99-R140 HydrophobicContact CE-CB 4.12Å; M99-R140 HydrophobicContact CG-CB 4.4Å; M99-R140 HydrophobicContact SD-CB 4.27Å; M99-A144 HydrophobicContact CE-CB 4.49Å; M99-F150 HydrophobicContact CE-CE1 3.81Å; M99-F150 HydrophobicContact CE-CZ 3.8Å; M99-L233 HydrophobicContact SD-CD2 3.81Å; M99-Q235 VanDerWaalsContact CA-NE2 3.35Å; M99-Q235 PolarHBondContact O-NE2 2.81Å; M99-Q235 PolarHBondContact O-OE1 3.22Å
100N88.4Confident92.5Very high99 Ų9918.2 Ų18.253%0.52910%0.099SC..THydrogen-bonded Turntrans-105.817.2174.2-75.1-66.2000113.1D96 G97 V98 F102 S358D96-N100 WeakPolarHBondContact O-CB 3.28Å; D96-N100 PolarHBondContact O-N 3.19Å; D96-N100 PolarHBondContact O-ND2 3.19Å; G97-N100 CarbonylContact O-C 3.55Å; G97-N100 PolarHBondContact O-N 2.78Å; G97-N100 VanDerWaalsContact O-N 3.12Å; V98-N100 PolarHBondContact O-N 3.14Å; N100-F102 HydrophobicContact CB-CD2 3.99Å; N100-F102 HydrophobicContact CB-CE2 3.99Å; N100-F102 PolarHBondContact O-N 3.1Å; N100-S358 PolarHBondContact O-OG 3Å
101G89Confident92.4Very high0 Ų018.5 Ų18.50%010%0.101CC..THydrogen-bonded Turntrans83.27.2172.100000116.8G97 V98 C247 N359G97-G101 PolarHBondContact O-N 2.7Å; V98-G101 PolarHBondContact O-N 2.87Å; G101-C247 WeakPolarHBondContact CA-SG 3.29Å; G101-N359 WeakPolarHBondContact O-CB 3.41Å; G101-N359 PolarHBondContact O-N 2.59Å
102F91.1Very high92.3Very high49 Ų4921.5 Ų21.522%0.21512%0.12CC..  trans-84.4134.3177-62.9-83.5000110.8G97 N100 C104 L356G97-F102 WeakPolarHBondContact O-CB 3.2Å; G97-F102 PolarHBondContact O-N 2.96Å; N100-F102 HydrophobicContact CB-CD2 3.99Å; N100-F102 HydrophobicContact CB-CE2 3.99Å; N100-F102 PolarHBondContact O-N 3.1Å; F102-C104 PolarHBondContact O-SG 3.39Å; F102-C104 VanDerWaalsContact O-SG 3.35Å; F102-L356 HydrophobicContact CD1-CB 4.03Å; F102-L356 HydrophobicContact CE1-CB 3.99Å
103N93Very high92.1Very high20 Ų2020.8 Ų20.811%0.10713%0.131CC..  trans-59.8140.8164.6-65.3-36.7000109.6K250 N320 C321 R322 N359N103-K250 CarbonylContact C-O 3.5Å; N103-K250 VanDerWaalsContact CA-O 3.29Å; N103-K250 WeakPolarHBondContact CA-O 3.06Å; N103-K250 WeakPolarHBondContact OD1-CB 3.44Å; N103-K250 PolarHBondContact OD1-N 2.88Å; N103-K250 VanDerWaalsContact OD1-N 3.09Å; N103-N320 VanDerWaalsContact CB-O 3.31Å; N103-N320 WeakPolarHBondContact CB-O 3.29Å; N103-N320 PolarHBondContact ND2-O 3.17Å; N103-C321 HydrophobicContact CB-CB 4.21Å; N103-C321 WeakPolarHBondContact O-CA 3.41Å; N103-R322 PolarHBondContact O-N 2.75Å; N103-N359 PolarHBondContact ND2-ND2 2.84Å; N103-N359 PolarHBondContact OD1-ND2 3.23Å
104C94.9Very high92.2Very high0 Ų019.4 Ų19.40%012%0.117CC..EExtended strand (participates in β ladder)trans-136143.5-175.8-69.80000110.8V94 V98 F102 K250 M251 S252 C321 R322V94-C104 HydrophobicContact CG1-CB 3.43Å; V94-C104 VanDerWaalsContact CG1-CB 3.43Å; V98-C104 HydrophobicContact CG2-CB 3.73Å; F102-C104 PolarHBondContact O-SG 3.39Å; F102-C104 VanDerWaalsContact O-SG 3.35Å; C104-K250 PolarHBondContact N-O 2.96Å; C104-M251 HydrophobicContact CB-CG 4.22Å; C104-M251 CarbonylContact O-C 3.43Å; C104-M251 WeakPolarHBondContact O-CA 3.19Å; C104-S252 PolarHBondContact O-N 3.32Å; C104-C321 VanDerWaalsContact CA-SG 3.59Å; C104-R322 VanDerWaalsContact CA-O 3.32Å; C104-R322 WeakPolarHBondContact CA-O 3.34Å
105T95.6Very high92.2Very high1 Ų120.1 Ų20.11%0.00612%0.124CC..EExtended strand (participates in β ladder)trans-139.6130.1176.2-63.60000111F107 S252 I254 S316 C321 R322 T323 V324T105-F107 HydrophobicContact CG2-CD1 4.44Å; T105-S252 CarbonylContact C-O 3.58Å; T105-S252 VanDerWaalsContact CA-O 3.31Å; T105-S252 WeakPolarHBondContact CA-O 3.33Å; T105-I254 HydrophobicContact CG2-CD1 3.56Å; T105-S316 WeakPolarHBondContact OG1-CB 3.41Å; T105-S316 PolarHBondContact OG1-OG 2.86Å; T105-C321 PolarHBondContact N-SG 3.49Å; T105-C321 PolarHBondContact OG1-SG 3.19Å; T105-R322 PolarHBondContact N-O 3.36Å; T105-T323 HydrophobicContact CG2-CG2 4.42Å; T105-T323 CarbonylContact O-C 3.53Å; T105-T323 VanDerWaalsContact O-CA 3.29Å; T105-T323 WeakPolarHBondContact O-CA 3.46Å; T105-V324 PolarHBondContact O-N 2.93Å
106V97Very high92.2Very high0 Ų020.5 Ų20.50%013%0.126CC..EExtended strand (participates in β ladder)trans-121.2124.5170.9-171.90000108.1T91 V94 S252 L253 I254 V324 I326T91-V106 HydrophobicContact CG2-CG2 4.03Å; V94-V106 HydrophobicContact CG1-CG2 4.47Å; V106-S252 PolarHBondContact N-O 3.16Å; V106-L253 HydrophobicContact CB-CD2 3.79Å; V106-L253 HydrophobicContact CG2-CD2 3.94Å; V106-L253 WeakPolarHBondContact O-CA 3.4Å; V106-I254 PolarHBondContact O-N 3.26Å; V106-V324 WeakPolarHBondContact CA-O 3.29Å; V106-V324 HydrophobicContact CG1-CB 4.33Å; V106-V324 HydrophobicContact CG2-CB 4.28Å; V106-I326 HydrophobicContact CG1-CD1 3.73Å; V106-I326 HydrophobicContact CG1-CG1 4.13Å
107F96.3Very high92.2Very high2 Ų219.1 Ų19.11%0.00912%0.12CC..EExtended strand (participates in β ladder)trans-130.6134.6178.369.7-90.9000112.7T105 I254 L256 L317 T323 V324 M325 I326T105-F107 HydrophobicContact CG2-CD1 4.44Å; F107-I254 WeakPolarHBondContact CA-O 3.37Å; F107-I254 HydrophobicContact CB-CB 3.77Å; F107-I254 HydrophobicContact CB-CD1 4.07Å; F107-I254 HydrophobicContact CB-CG2 4.23Å; F107-L256 HydrophobicContact CD2-CD1 3.74Å; F107-L256 HydrophobicContact CE2-CD1 4.36Å; F107-L317 HydrophobicContact CE1-CD2 4.21Å; F107-L317 HydrophobicContact CZ-CD2 4.46Å; F107-T323 HydrophobicContact CD1-CG2 4.02Å; F107-T323 HydrophobicContact CE1-CG2 3.69Å; F107-V324 PolarHBondContact N-O 3.27Å; F107-M325 HydrophobicContact CD2-CG 4.27Å; F107-M325 HydrophobicContact CE1-CB 4Å; F107-M325 HydrophobicContact CE1-CG 4.47Å; F107-M325 HydrophobicContact CE2-CB 4Å; F107-M325 HydrophobicContact CE2-CE 4.46Å; F107-M325 HydrophobicContact CE2-CG 3.56Å; F107-M325 HydrophobicContact CE2-SD 4.05Å; F107-M325 HydrophobicContact CZ-CB 3.63Å; F107-M325 HydrophobicContact CZ-CG 3.68Å; F107-M325 HydrophobicContact CZ-SD 4.07Å; F107-I326 PolarHBondContact O-N 3.36Å
108A96.5Very high92.3Very high0 Ų022.9 Ų22.90%014%0.136CC..EExtended strand (participates in β ladder)trans-89.1133.317100000110.8K116 M120 I254 L256 I326A108-K116 HydrophobicContact CB-CB 3.98Å; A108-K116 HydrophobicContact CB-CG 4.27Å; A108-M120 HydrophobicContact CB-CG 3.56Å; A108-M120 HydrophobicContact CB-SD 3.87Å; A108-I254 PolarHBondContact N-O 2.77Å; A108-L256 WeakPolarHBondContact O-CB 3.43Å; A108-L256 WeakPolarHBondContact O-CG 3.41Å; A108-L256 PolarHBondContact O-N 3.1Å; A108-I326 CarbonylContact C-O 3.58Å; A108-I326 WeakPolarHBondContact CA-O 3.26Å
109Y95.6Very high92.4Very high14 Ų1422.8 Ų22.86%0.05514%0.136CC..EExtended strand (participates in β ladder)trans-137.2148.4-178.1178.3-90.4000110.9L256 L282 M325 I326 N328 T342 Y345Y109-L256 HydrophobicContact CD2-CD1 3.88Å; Y109-L282 HydrophobicContact CE2-CD2 4.25Å; Y109-M325 HydrophobicContact CD1-CE 3.43Å; Y109-M325 VanDerWaalsContact CD1-CE 3.43Å; Y109-M325 HydrophobicContact CE1-CE 4.28Å; Y109-M325 HydrophobicContact CG-CE 3.74Å; Y109-I326 PolarHBondContact N-O 3.23Å; Y109-N328 PolarHBondContact O-N 3.14Å; Y109-T342 HydrophobicContact CD1-CG2 4.1Å; Y109-T342 HydrophobicContact CE1-CG2 4.23Å; Y109-Y345 HydrophobicContact CD1-CD1 4.02Å; Y109-Y345 HydrophobicContact CD1-CE1 4.33Å; Y109-Y345 HydrophobicContact CD2-CE1 4.08Å; Y109-Y345 AromaticContact CE1-CD1 3.58Å; Y109-Y345 HydrophobicContact CE1-CD1 3.58Å; Y109-Y345 HydrophobicContact CE1-CD2 4.39Å; Y109-Y345 AromaticContact CE1-CE1 3.98Å; Y109-Y345 HydrophobicContact CE1-CE1 3.98Å; Y109-Y345 AromaticContact CE1-CG 3.78Å; Y109-Y345 HydrophobicContact CE1-CG 3.78Å; Y109-Y345 HydrophobicContact CE2-CD1 4.18Å; Y109-Y345 AromaticContact CE2-CE1 3.7Å; Y109-Y345 HydrophobicContact CE2-CE1 3.7Å; Y109-Y345 HydrophobicContact CE2-CE2 4.34Å; Y109-Y345 AromaticContact CE2-CZ 3.77Å; Y109-Y345 HydrophobicContact CG-CD1 4.5Å; Y109-Y345 HydrophobicContact CG-CE1 4.38Å; Y109-Y345 AromaticContact CZ-CD1 3.66Å; Y109-Y345 AromaticContact CZ-CD2 3.98Å; Y109-Y345 AromaticContact CZ-CE1 3.64Å; Y109-Y345 AromaticContact CZ-CE2 3.96Å; Y109-Y345 AromaticContact CZ-CG 3.8Å; Y109-Y345 AromaticContact CZ-CZ 3.78Å; Y109-Y345 WeakPolarHBondContact OH-CD2 3.36Å; Y109-Y345 WeakPolarHBondContact OH-CE2 3.44Å
110G94.3Very high92.5Very high0 Ų021.7 Ų21.70%013%0.131CC..SBendtrans139.1-176.818000000112.5K116 S259G110-K116 WeakPolarHBondContact O-CD 3.49Å; G110-K116 PolarHBondContact O-NZ 3.33Å; G110-S259 WeakPolarHBondContact CA-OG 3.37Å; G110-S259 PolarHBondContact O-N 2.89Å; G110-S259 VanDerWaalsContact O-N 3.15Å; G110-S259 PolarHBondContact O-OG 3.25Å
111A90.6Very high92.6Very high10 Ų1018.8 Ų18.88%0.08312%0.115CC..  trans-67161.2-176.700000113.2A114 K116 S259 E260 D338A111-A114 HydrophobicContact CB-CB 4.33Å; A111-A114 VanDerWaalsContact O-CB 3.27Å; A111-A114 WeakPolarHBondContact O-CB 3.36Å; A111-A114 PolarHBondContact O-N 2.71Å; A111-K116 VanDerWaalsContact C-NZ 3.28Å; A111-K116 PolarHBondContact O-NZ 2.97Å; A111-S259 PolarHBondContact N-OG 3.38Å; A111-E260 WeakPolarHBondContact CA-OE2 3.21Å; A111-D338 HydrophobicContact CB-CB 4.16Å
112T88.9Confident92.6Very high64 Ų6419.9 Ų19.939%0.39313%0.126SC..THydrogen-bonded Turntrans-60.3140.6164.1-67.60000110.1A114 S223 E260T112-A114 PolarHBondContact O-N 2.81Å; T112-S223 WeakPolarHBondContact OG1-CB 3.13Å; T112-E260 WeakPolarHBondContact CB-OE1 3.33Å; T112-E260 PolarHBondContact N-OE2 3.39Å; T112-E260 PolarHBondContact OG1-OE1 3.2Å; T112-E260 PolarHBondContact OG1-OE2 3.12Å
113G86.8Confident92.3Very high50 Ų5020.3 Ų20.352%0.51514%0.135SC..THydrogen-bonded Turntrans73.7-4.3-172.700000115.6R16 G115R16-G113 WeakPolarHBondContact CD-O 3.11Å; R16-G113 PolarHBondContact NE-O 3.31Å; G113-G115 VanDerWaalsContact C-N 3.3Å; G113-G115 PolarHBondContact O-N 3.1Å
114A90.8Very high91.7Very high2 Ų228.1 Ų28.12%0.01717%0.171CC..SBendtrans-79.2-7.2176.800000114.4A111 T112 N328A111-A114 HydrophobicContact CB-CB 4.33Å; A111-A114 VanDerWaalsContact O-CB 3.27Å; A111-A114 WeakPolarHBondContact O-CB 3.36Å; A111-A114 PolarHBondContact O-N 2.71Å; T112-A114 PolarHBondContact O-N 2.81Å; A114-N328 HydrophobicContact CB-CB 4.19Å; A114-N328 WeakPolarHBondContact CB-O 3.38Å; A114-N328 WeakPolarHBondContact O-CB 3.3Å
115G91.3Very high91.3Very high16 Ų1635.6 Ų35.617%0.16521%0.211CC..SBendtrans102.817.5173.900000116.9G113 H118 T119 N328G113-G115 VanDerWaalsContact C-N 3.3Å; G113-G115 PolarHBondContact O-N 3.1Å; G115-H118 PolarHBondContact O-N 3.22Å; G115-T119 WeakPolarHBondContact O-CB 3.49Å; G115-T119 PolarHBondContact O-N 3.01Å; G115-T119 PolarHBondContact O-OG1 2.89Å; G115-N328 PolarHBondContact O-ND2 2.59Å
116K93.3Very high91Very high9 Ų938.1 Ų38.14%0.03922%0.224CC..Hα-helixtrans-51.7-65.6175.4-63.7-170.8-63.2-74.10112.9A108 G110 A111 H118 T119 M120 D255 L256 A257 N328A108-K116 HydrophobicContact CB-CB 3.98Å; A108-K116 HydrophobicContact CB-CG 4.27Å; G110-K116 WeakPolarHBondContact O-CD 3.49Å; G110-K116 PolarHBondContact O-NZ 3.33Å; A111-K116 VanDerWaalsContact C-NZ 3.28Å; A111-K116 PolarHBondContact O-NZ 2.97Å; K116-H118 VanDerWaalsContact C-N 3.26Å; K116-H118 PolarHBondContact O-N 3.1Å; K116-T119 WeakPolarHBondContact O-CA 3.36Å; K116-T119 PolarHBondContact O-N 3.44Å; K116-M120 PolarHBondContact O-N 3.09Å; K116-D255 WeakPolarHBondContact CB-OD1 3.39Å; K116-L256 WeakPolarHBondContact CE-O 3.4Å; K116-A257 VanDerWaalsContact CE-O 3.27Å; K116-A257 WeakPolarHBondContact CE-O 3.49Å; K116-N328 WeakPolarHBondContact CA-OD1 3.5Å; K116-N328 HydrophobicContact CG-CB 4.12Å
117T90.2Very high90.7Very high37 Ų3739.2 Ų39.223%0.22723%0.232CC..Hα-helixtrans-62.5-33-179.4-42.40000112T119 M120 L121 G122 D255T117-T119 VanDerWaalsContact C-N 3.34Å; T117-T119 PolarHBondContact O-N 2.93Å; T117-M120 PolarHBondContact O-N 3.04Å; T117-L121 HydrophobicContact CG2-CD1 3.83Å; T117-L121 WeakPolarHBondContact O-CB 3.37Å; T117-L121 PolarHBondContact O-N 2.94Å; T117-G122 PolarHBondContact O-N 3.49Å; T117-D255 VanDerWaalsContact CA-OD1 3.31Å; T117-D255 WeakPolarHBondContact CA-OD1 3.3Å; T117-D255 PolarHBondContact N-OD1 3.25Å; T117-D255 VanDerWaalsContact N-OD1 3.09Å; T117-D255 PolarHBondContact OG1-OD1 3.28Å; T117-D255 PolarHBondContact OG1-OD2 3.48Å
118H91.3Very high90.5Very high83 Ų8339.1 Ų39.138%0.38423%0.231SC..Hα-helixtrans-62.8-39.2171-176.4-96.4000111.8R14 Q83 G115 K116 G122R14-H118 PolarHBondContact NH1-ND1 3.5Å; Q83-H118 PolarHBondContact NE2-O 3.45Å; Q83-H118 PolarHBondContact OE1-CE1 3.42Å; Q83-H118 PolarHBondContact OE1-ND1 3.14Å; G115-H118 PolarHBondContact O-N 3.22Å; K116-H118 VanDerWaalsContact C-N 3.26Å; K116-H118 PolarHBondContact O-N 3.1Å; H118-G122 WeakPolarHBondContact O-CA 3.45Å; H118-G122 PolarHBondContact O-N 3.47Å
119T94.9Very high90.4Very high0 Ų039.2 Ų39.20%023%0.231CC..Hα-helixtrans-73.8-38.5178.5-48.40000111.6R14 I86 G115 K116 T117 V129 I326 N328R14-T119 PolarHBondContact NH1-OG1 2.85Å; I86-T119 HydrophobicContact CD1-CG2 4.5Å; I86-T119 HydrophobicContact CG2-CG2 3.85Å; G115-T119 WeakPolarHBondContact O-CB 3.49Å; G115-T119 PolarHBondContact O-N 3.01Å; G115-T119 PolarHBondContact O-OG1 2.89Å; K116-T119 WeakPolarHBondContact O-CA 3.36Å; K116-T119 PolarHBondContact O-N 3.44Å; T117-T119 VanDerWaalsContact C-N 3.34Å; T117-T119 PolarHBondContact O-N 2.93Å; T119-V129 HydrophobicContact CG2-CG2 4.24Å; T119-V129 WeakPolarHBondContact O-CB 3.37Å; T119-V129 WeakPolarHBondContact O-CG2 3.44Å; T119-V129 PolarHBondContact O-N 3.44Å; T119-I326 HydrophobicContact CG2-CD1 4.26Å; T119-I326 HydrophobicContact CG2-CG2 4.07Å; T119-N328 PolarHBondContact OG1-ND2 2.64Å
120M93.6Very high90.3Very high0 Ų038.6 Ų38.60%023%0.229CC..Hα-helixtrans-77.1-51.4-178.1-63.2-58.2-65.500113.3A108 K116 T117 G128 V129 M130 L253 D255A108-M120 HydrophobicContact CB-CG 3.56Å; A108-M120 HydrophobicContact CB-SD 3.87Å; K116-M120 PolarHBondContact O-N 3.09Å; T117-M120 PolarHBondContact O-N 3.04Å; M120-G128 CarbonylContact O-C 3.59Å; M120-V129 PolarHBondContact O-N 2.98Å; M120-M130 HydrophobicContact CB-CE 4.05Å; M120-M130 HydrophobicContact CB-CG 4.44Å; M120-M130 HydrophobicContact CE-CG 3.89Å; M120-M130 HydrophobicContact CE-SD 4.25Å; M120-M130 VanDerWaalsContact O-CB 3.31Å; M120-M130 WeakPolarHBondContact O-CB 3.34Å; M120-M130 WeakPolarHBondContact O-CG 3.48Å; M120-M130 PolarHBondContact O-N 3.3Å; M120-L253 HydrophobicContact CE-CB 3.95Å; M120-D255 HydrophobicContact CB-CB 4.36Å; M120-D255 HydrophobicContact CG-CB 4.21Å
121L89.6Confident90.1Very high38 Ų3843 Ų4320%0.19925%0.246CC..THydrogen-bonded Turntrans-98.3-39.6-178.4-71.1169.4000113.2T117 G128 M130 N208T117-L121 HydrophobicContact CG2-CD1 3.83Å; T117-L121 WeakPolarHBondContact O-CB 3.37Å; T117-L121 PolarHBondContact O-N 2.94Å; L121-G128 WeakPolarHBondContact O-CA 3.36Å; L121-G128 PolarHBondContact O-N 3.2Å; L121-M130 HydrophobicContact CD2-CE 3.52Å; L121-M130 HydrophobicContact CG-CE 3.77Å; L121-N208 VanDerWaalsContact CD1-ND2 3.33Å; L121-N208 WeakPolarHBondContact CD1-ND2 3.34Å; L121-N208 VanDerWaalsContact CD2-ND2 3.3Å; L121-N208 WeakPolarHBondContact CD2-ND2 3.47Å
122G89Confident90.2Very high22 Ų2245 Ų4523%0.22725%0.252CS..BIsolated β-bridgetrans75.6-151.7-174.300000113.6Q83 T117 H118Q83-G122 VanDerWaalsContact NE2-CA 3.33Å; T117-G122 PolarHBondContact O-N 3.49Å; H118-G122 WeakPolarHBondContact O-CA 3.45Å; H118-G122 PolarHBondContact O-N 3.47Å
123S85.6Confident90.5Very high59 Ų5942 Ų4241%0.41323%0.233SC..  trans-117.117217068.40000109.9N125 D126 P127S123-N125 PolarHBondContact O-N 2.98Å; S123-D126 PolarHBondContact N-O 3.07Å; S123-D126 CarbonylContact O-C 3.54Å; S123-D126 VanDerWaalsContact O-C 3.24Å; S123-D126 PolarHBondContact OG-N 3.36Å; S123-P127 WeakPolarHBondContact O-CA 3.44Å
124Q80.6Confident90.8Very high184 Ų18439.6 Ų39.686%0.8621%0.209SC*.SBendtrans-62.3-33.1175.1-69.7-179.4-15.400112.6
125N86.1Confident90.8Very high157 Ų15745.9 Ų45.984%0.8424%0.236SC*.SBendtrans-85.7-34.7-179.4-65.3-8.3000112.5S123S123-N125 PolarHBondContact O-N 2.98Å
126D88.5Confident91Very high54 Ų5447 Ų4729%0.28924%0.237SC..SBendtrans-12485.7173.5-166.27.9000111.1Q83 S123 R132Q83-D126 VanDerWaalsContact CB-OD1 3.31Å; Q83-D126 WeakPolarHBondContact CB-OD1 3.33Å; Q83-D126 HydrophobicContact CG-CB 4.31Å; Q83-D126 VanDerWaalsContact CG-OD1 3.28Å; Q83-D126 WeakPolarHBondContact CG-OD1 3.14Å; Q83-D126 WeakPolarHBondContact CG-OD2 3.47Å; S123-D126 PolarHBondContact N-O 3.07Å; S123-D126 CarbonylContact O-C 3.54Å; S123-D126 VanDerWaalsContact O-C 3.24Å; S123-D126 PolarHBondContact OG-N 3.36Å; D126-R132 IonicContact OD1-CZ 3.74Å; D126-R132 IonicContact OD1-NH2 2.73Å; D126-R132 PolarHBondContact OD1-NH2 3.02Å
127P90.9Very high91Very high23 Ų2346.6 Ų46.615%0.14924%0.235CC..BIsolated β-bridgetrans-67.3144.3-173.623.8-32.8000112.4Q83 S123 Y131 R132Q83-P127 WeakPolarHBondContact CB-O 3.42Å; S123-P127 WeakPolarHBondContact O-CA 3.44Å; P127-Y131 HydrophobicContact CB-CD1 3.62Å; P127-Y131 HydrophobicContact CB-CD2 3.94Å; P127-Y131 HydrophobicContact CB-CE1 4.26Å; P127-Y131 HydrophobicContact CB-CG 3.5Å; P127-Y131 VanDerWaalsContact CB-CG 3.5Å; P127-Y131 HydrophobicContact CG-CD1 3.93Å; P127-Y131 HydrophobicContact CG-CE1 4.21Å; P127-Y131 HydrophobicContact CG-CG 4.31Å; P127-R132 PolarHBondContact O-NE 3.39Å
128G93.1Very high91.2Very high0 Ų046.1 Ų46.10%023%0.23CC..  trans-83.3-175.9-177.100000114.9Q83 M120 L121 M130 Y131 R132Q83-G128 VanDerWaalsContact NE2-CA 3.33Å; M120-G128 CarbonylContact O-C 3.59Å; L121-G128 WeakPolarHBondContact O-CA 3.36Å; L121-G128 PolarHBondContact O-N 3.2Å; G128-M130 VanDerWaalsContact C-N 3.28Å; G128-M130 PolarHBondContact O-N 2.91Å; G128-Y131 PolarHBondContact O-N 3.09Å; G128-R132 WeakPolarHBondContact O-CG 3.41Å; G128-R132 PolarHBondContact O-N 3.47Å; G128-R132 VanDerWaalsContact O-N 3.08Å
129V94.1Very high91.2Very high1 Ų147.5 Ų47.51%0.00624%0.235CC..Hα-helixtrans-54.6-41.2-175.7171.40000112I86 T91 T119 M120 T133I86-V129 HydrophobicContact CG2-CG2 3.98Å; T91-V129 HydrophobicContact CG2-CG1 4.12Å; T91-V129 VanDerWaalsContact OG1-CG1 3.23Å; T91-V129 WeakPolarHBondContact OG1-CG1 3.25Å; T119-V129 HydrophobicContact CG2-CG2 4.24Å; T119-V129 WeakPolarHBondContact O-CB 3.37Å; T119-V129 WeakPolarHBondContact O-CG2 3.44Å; T119-V129 PolarHBondContact O-N 3.44Å; M120-V129 PolarHBondContact O-N 2.98Å; V129-T133 WeakPolarHBondContact O-CB 3.45Å; V129-T133 PolarHBondContact O-N 2.72Å; V129-T133 PolarHBondContact O-OG1 3.37Å
130M92.6Very high91.2Very high2 Ų249.7 Ų49.71%0.0124%0.243CC..Hα-helixtrans-62.5-49-179.6-65.2-153-90.800112.2M120 L121 G128 T133 M134 L204 F229 L253M120-M130 HydrophobicContact CB-CE 4.05Å; M120-M130 HydrophobicContact CB-CG 4.44Å; M120-M130 HydrophobicContact CE-CG 3.89Å; M120-M130 HydrophobicContact CE-SD 4.25Å; M120-M130 VanDerWaalsContact O-CB 3.31Å; M120-M130 WeakPolarHBondContact O-CB 3.34Å; M120-M130 WeakPolarHBondContact O-CG 3.48Å; M120-M130 PolarHBondContact O-N 3.3Å; L121-M130 HydrophobicContact CD2-CE 3.52Å; L121-M130 HydrophobicContact CG-CE 3.77Å; G128-M130 VanDerWaalsContact C-N 3.28Å; G128-M130 PolarHBondContact O-N 2.91Å; M130-T133 PolarHBondContact O-N 2.96Å; M130-M134 WeakPolarHBondContact O-CG 3.44Å; M130-M134 PolarHBondContact O-N 3.37Å; M130-L204 HydrophobicContact SD-CD2 4.37Å; M130-F229 HydrophobicContact SD-CB 4.04Å; M130-L253 HydrophobicContact CB-CD1 4.23Å; M130-L253 HydrophobicContact CG-CB 3.89Å; M130-L253 HydrophobicContact CG-CD1 3.86Å; M130-L253 HydrophobicContact CG-CG 4.46Å; M130-L253 HydrophobicContact SD-CB 3.64Å; M130-L253 HydrophobicContact SD-CD1 4.33Å
131Y90.3Very high91.1Very high92 Ų9250.8 Ų50.836%0.36125%0.248SC..Hα-helixtrans-59.9-51.8177.7179.6-66.6000111.1P127 G128 T133 M134 K135 L201P127-Y131 HydrophobicContact CB-CD1 3.62Å; P127-Y131 HydrophobicContact CB-CD2 3.94Å; P127-Y131 HydrophobicContact CB-CE1 4.26Å; P127-Y131 HydrophobicContact CB-CG 3.5Å; P127-Y131 VanDerWaalsContact CB-CG 3.5Å; P127-Y131 HydrophobicContact CG-CD1 3.93Å; P127-Y131 HydrophobicContact CG-CE1 4.21Å; P127-Y131 HydrophobicContact CG-CG 4.31Å; G128-Y131 PolarHBondContact O-N 3.09Å; Y131-T133 VanDerWaalsContact C-N 3.26Å; Y131-T133 PolarHBondContact O-N 3.07Å; Y131-M134 PolarHBondContact O-N 3Å; Y131-M134 VanDerWaalsContact O-N 3.08Å; Y131-K135 HydrophobicContact CE1-CD 4.33Å; Y131-K135 PolarHBondContact O-N 2.95Å; Y131-K135 VanDerWaalsContact O-N 3.13Å; Y131-L201 HydrophobicContact CD2-CD1 3.74Å; Y131-L201 HydrophobicContact CD2-CD2 3.48Å; Y131-L201 VanDerWaalsContact CD2-CD2 3.48Å; Y131-L201 HydrophobicContact CD2-CG 4.16Å; Y131-L201 HydrophobicContact CE2-CD1 3.38Å; Y131-L201 HydrophobicContact CE2-CD2 4.07Å; Y131-L201 HydrophobicContact CE2-CG 4.26Å; Y131-L201 HydrophobicContact CG-CD1 4.43Å; Y131-L201 HydrophobicContact CG-CD2 3.85Å
132R93.3Very high91.2Very high53 Ų5353 Ų5320%0.226%0.26CS..Hα-helixtrans-61.3-38.4-177.3-66.3179.3-176.1-983111F87 D126 P127 G128 E136F87-R132 HydrophobicContact CB-CB 4.2Å; F87-R132 HydrophobicContact CD1-CB 4.03Å; F87-R132 HydrophobicContact CD2-CB 3.69Å; F87-R132 HydrophobicContact CE1-CB 4.37Å; F87-R132 HydrophobicContact CE2-CB 4.08Å; F87-R132 HydrophobicContact CG-CB 3.67Å; F87-R132 HydrophobicContact CZ-CB 4.38Å; D126-R132 IonicContact OD1-CZ 3.74Å; D126-R132 IonicContact OD1-NH2 2.73Å; D126-R132 PolarHBondContact OD1-NH2 3.02Å; P127-R132 PolarHBondContact O-NE 3.39Å; G128-R132 WeakPolarHBondContact O-CG 3.41Å; G128-R132 PolarHBondContact O-N 3.47Å; G128-R132 VanDerWaalsContact O-N 3.08Å; R132-E136 WeakPolarHBondContact O-CB 3.29Å; R132-E136 PolarHBondContact O-N 2.74Å; R132-E136 VanDerWaalsContact O-N 3.11Å
133T94.6Very high91.4Very high0 Ų057.2 Ų57.20%028%0.277CS..Hα-helixtrans-63.9-40.1174.1-57.80000112.7F87 T91 L95 V129 M130 Y131 L137 M251 L253F87-T133 WeakPolarHBondContact CE2-OG1 3.45Å; T91-T133 HydrophobicContact CG2-CG2 3.86Å; T91-T133 WeakPolarHBondContact CG2-OG1 3.11Å; L95-T133 HydrophobicContact CD1-CG2 4.17Å; L95-T133 HydrophobicContact CD2-CG2 3.76Å; L95-T133 HydrophobicContact CG-CG2 4.12Å; V129-T133 WeakPolarHBondContact O-CB 3.45Å; V129-T133 PolarHBondContact O-N 2.72Å; V129-T133 PolarHBondContact O-OG1 3.37Å; M130-T133 PolarHBondContact O-N 2.96Å; Y131-T133 VanDerWaalsContact C-N 3.26Å; Y131-T133 PolarHBondContact O-N 3.07Å; T133-L137 WeakPolarHBondContact O-CB 3.43Å; T133-L137 PolarHBondContact O-N 3.03Å; T133-M251 HydrophobicContact CG2-CE 3.62Å; T133-M251 HydrophobicContact CG2-SD 3.82Å; T133-L253 HydrophobicContact CG2-CD1 4.29Å
134M92.8Very high91.6Very high0 Ų055.5 Ų55.50%027%0.267CS..Hα-helixtrans-68.5-44.9-179.6-67.5-43.4100.400111.2M130 Y131 E136 L137 F138 I200 L201 F229 I231 L253M130-M134 WeakPolarHBondContact O-CG 3.44Å; M130-M134 PolarHBondContact O-N 3.37Å; Y131-M134 PolarHBondContact O-N 3Å; Y131-M134 VanDerWaalsContact O-N 3.08Å; M134-E136 PolarHBondContact O-N 3.16Å; M134-L137 PolarHBondContact O-N 3.33Å; M134-F138 WeakPolarHBondContact O-CD2 3.39Å; M134-F138 PolarHBondContact O-N 2.98Å; M134-I200 HydrophobicContact CG-CB 4.48Å; M134-I200 HydrophobicContact CG-CG2 3.83Å; M134-I200 HydrophobicContact SD-CD1 4.2Å; M134-I200 HydrophobicContact SD-CG2 4.1Å; M134-L201 HydrophobicContact CB-CD2 4.47Å; M134-F229 HydrophobicContact CE-CE1 4.48Å; M134-F229 HydrophobicContact SD-CE1 4.12Å; M134-I231 HydrophobicContact CE-CD1 3.36Å; M134-I231 HydrophobicContact CE-CG1 4.46Å; M134-I231 HydrophobicContact SD-CD1 3.76Å; M134-I231 HydrophobicContact SD-CG1 4.27Å; M134-L253 HydrophobicContact CE-CD1 3.55Å
135K92.2Very high92Very high134 Ų13452.2 Ų52.258%0.58325%0.25SC*.Hα-helixtrans-60.8-44.9178.8-173.3170.1-177.2171.20111.9Y131 K139Y131-K135 HydrophobicContact CE1-CD 4.33Å; Y131-K135 PolarHBondContact O-N 2.95Å; Y131-K135 VanDerWaalsContact O-N 3.13Å; K135-K139 PolarHBondContact O-N 3.22Å; K135-K139 VanDerWaalsContact O-N 3.09Å
136E94.1Very high92.2Very high39 Ų3953.4 Ų53.418%0.18225%0.25CS..Hα-helixtrans-71.4-32.9178.117976.816200112.9F87 L95 R132 M134 K139 R140F87-E136 HydrophobicContact CE1-CB 4.48Å; F87-E136 HydrophobicContact CZ-CB 3.78Å; F87-E136 HydrophobicContact CZ-CG 3.92Å; L95-E136 HydrophobicContact CD1-CB 3.88Å; L95-E136 HydrophobicContact CD1-CG 3.54Å; R132-E136 WeakPolarHBondContact O-CB 3.29Å; R132-E136 PolarHBondContact O-N 2.74Å; R132-E136 VanDerWaalsContact O-N 3.11Å; M134-E136 PolarHBondContact O-N 3.16Å; E136-K139 PolarHBondContact O-N 3.36Å; E136-R140 PolarHBondContact O-N 3.35Å; E136-R140 IonicContact OE1-CZ 3.78Å; E136-R140 IonicContact OE1-NH1 2.67Å; E136-R140 PolarHBondContact OE1-NH1 3.03Å; E136-R140 IonicContact OE1-NH2 2.64Å
137L94Very high92.1Very high0 Ų056.9 Ų56.90%027%0.265CS..Hα-helixtrans-65.7-47174.9175.257.9000111.5L95 M99 T133 M134 K139 R140 M141 L152 I231 L233L95-L137 HydrophobicContact CD2-CB 3.89Å; L95-L137 HydrophobicContact CD2-CD1 4.06Å; L95-L137 HydrophobicContact CD2-CG 4.38Å; M99-L137 HydrophobicContact SD-CD1 4.29Å; T133-L137 WeakPolarHBondContact O-CB 3.43Å; T133-L137 PolarHBondContact O-N 3.03Å; M134-L137 PolarHBondContact O-N 3.33Å; L137-K139 VanDerWaalsContact C-N 3.31Å; L137-K139 PolarHBondContact O-N 3.22Å; L137-R140 PolarHBondContact O-N 3.03Å; L137-M141 HydrophobicContact CD1-CG 4.42Å; L137-M141 HydrophobicContact CD1-SD 4.16Å; L137-M141 HydrophobicContact CG-SD 4.09Å; L137-M141 WeakPolarHBondContact O-CG 3.34Å; L137-M141 PolarHBondContact O-N 3.09Å; L137-L152 HydrophobicContact CD2-CD1 3.75Å; L137-L152 HydrophobicContact CG-CD1 4.29Å; L137-I231 HydrophobicContact CD2-CG2 4.21Å; L137-L233 HydrophobicContact CD1-CD2 4.27Å
138F93Very high92Very high28 Ų2858 Ų5812%0.12327%0.267CS..Hα-helixtrans-61.1-42.1174.4-90.5-101000111.3M134 R140 M141 D142 L152 P194 S196 A197 I200M134-F138 WeakPolarHBondContact O-CD2 3.39Å; M134-F138 PolarHBondContact O-N 2.98Å; F138-R140 PolarHBondContact O-N 2.66Å; F138-M141 WeakPolarHBondContact O-CB 3.27Å; F138-M141 PolarHBondContact O-N 2.93Å; F138-M141 VanDerWaalsContact O-N 3.1Å; F138-D142 PolarHBondContact O-N 3.14Å; F138-L152 HydrophobicContact CE2-CD1 4.27Å; F138-P194 HydrophobicContact CZ-CB 4.49Å; F138-P194 HydrophobicContact CZ-CG 4.24Å; F138-S196 VanDerWaalsContact CE1-C 3.49Å; F138-S196 VanDerWaalsContact CZ-C 3.48Å; F138-A197 HydrophobicContact CB-CB 4.21Å; F138-A197 HydrophobicContact CD1-CB 4.41Å; F138-A197 HydrophobicContact CD2-CB 3.85Å; F138-A197 HydrophobicContact CE2-CB 4.35Å; F138-A197 HydrophobicContact CG-CB 3.88Å; F138-I200 HydrophobicContact CE2-CD1 3.66Å; F138-I200 HydrophobicContact CZ-CD1 4.24Å
139K93.4Very high91.9Very high112 Ų11262.5 Ų62.549%0.48729%0.288SS..Hα-helixtrans-55.7-52.9173.9-168.5-160.8163.6-163.50112K135 E136 L137 M141 D142 D143K135-K139 PolarHBondContact O-N 3.22Å; K135-K139 VanDerWaalsContact O-N 3.09Å; E136-K139 PolarHBondContact O-N 3.36Å; L137-K139 VanDerWaalsContact C-N 3.31Å; L137-K139 PolarHBondContact O-N 3.22Å; K139-M141 PolarHBondContact O-N 2.73Å; K139-D142 PolarHBondContact O-N 3.45Å; K139-D142 VanDerWaalsContact O-N 3.1Å; K139-D143 WeakPolarHBondContact CE-OD2 3.33Å; K139-D143 WeakPolarHBondContact O-CB 3.45Å; K139-D143 PolarHBondContact O-N 2.85Å
140R93.3Very high91.8Very high46 Ų4664.1 Ų64.117%0.17430%0.295CS..Hα-helixtrans-59.9-29.7176.1-82.5-168-177.1590113.6D96 M99 E136 L137 F138 A144D96-R140 IonicContact OD1-CZ 3.87Å; D96-R140 VanDerWaalsContact OD1-CZ 3.24Å; D96-R140 IonicContact OD1-NE 3.8Å; D96-R140 PolarHBondContact OD1-NE 3.24Å; D96-R140 IonicContact OD1-NH2 2.67Å; D96-R140 PolarHBondContact OD1-NH2 2.87Å; D96-R140 IonicContact OD2-NH2 3.86Å; M99-R140 HydrophobicContact CE-CB 4.12Å; M99-R140 HydrophobicContact CG-CB 4.4Å; M99-R140 HydrophobicContact SD-CB 4.27Å; E136-R140 PolarHBondContact O-N 3.35Å; E136-R140 IonicContact OE1-CZ 3.78Å; E136-R140 IonicContact OE1-NH1 2.67Å; E136-R140 PolarHBondContact OE1-NH1 3.03Å; E136-R140 IonicContact OE1-NH2 2.64Å; L137-R140 PolarHBondContact O-N 3.03Å; F138-R140 PolarHBondContact O-N 2.66Å; R140-A144 WeakPolarHBondContact O-CB 3.42Å; R140-A144 PolarHBondContact O-N 2.83Å
141M92.4Very high91.8Very high22 Ų2266.3 Ų66.311%0.10831%0.309CS..Hα-helixtrans-74.6-34.9175.3-74.4168.242.600112.8L137 F138 K139 K145 F150 L152 L233L137-M141 HydrophobicContact CD1-CG 4.42Å; L137-M141 HydrophobicContact CD1-SD 4.16Å; L137-M141 HydrophobicContact CG-SD 4.09Å; L137-M141 WeakPolarHBondContact O-CG 3.34Å; L137-M141 PolarHBondContact O-N 3.09Å; F138-M141 WeakPolarHBondContact O-CB 3.27Å; F138-M141 PolarHBondContact O-N 2.93Å; F138-M141 VanDerWaalsContact O-N 3.1Å; K139-M141 PolarHBondContact O-N 2.73Å; M141-K145 WeakPolarHBondContact O-CB 3.37Å; M141-K145 PolarHBondContact O-N 3.31Å; M141-F150 HydrophobicContact CB-CD2 4Å; M141-F150 HydrophobicContact CB-CE2 4.33Å; M141-F150 HydrophobicContact CB-CG 4.23Å; M141-F150 HydrophobicContact CE-CB 3.95Å; M141-F150 HydrophobicContact CG-CB 4.35Å; M141-F150 HydrophobicContact CG-CD1 4.1Å; M141-F150 HydrophobicContact CG-CD2 4.21Å; M141-F150 HydrophobicContact CG-CE1 4.48Å; M141-F150 HydrophobicContact CG-CG 3.96Å; M141-F150 WeakPolarHBondContact O-CD2 3.36Å; M141-F150 WeakPolarHBondContact O-CE2 3.44Å; M141-L152 HydrophobicContact CE-CB 4.25Å; M141-L152 HydrophobicContact CE-CD1 4.22Å; M141-L152 HydrophobicContact SD-CD1 3.69Å; M141-L233 HydrophobicContact CE-CD1 4.5Å; M141-L233 HydrophobicContact CG-CD1 4.32Å; M141-L233 HydrophobicContact SD-CD1 3.72Å
142D92.3Very high92Very high85 Ų8562.6 Ų62.646%0.45530%0.295SS..Hα-helixtrans-76.8-38.9174.3-78.6-49.2000111.8F138 K139 A144 K145F138-D142 PolarHBondContact O-N 3.14Å; K139-D142 PolarHBondContact O-N 3.45Å; K139-D142 VanDerWaalsContact O-N 3.1Å; D142-A144 VanDerWaalsContact C-N 3.32Å; D142-A144 PolarHBondContact O-N 2.66Å; D142-K145 WeakPolarHBondContact O-CB 3.47Å; D142-K145 PolarHBondContact O-N 3.1Å; D142-K145 WeakPolarHBondContact OD1-CD 3.43Å; D142-K145 WeakPolarHBondContact OD1-CE 3.31Å; D142-K145 IonicContact OD1-NZ 3.44Å; D142-K145 PolarHBondContact OD1-NZ 3.38Å
143D92.8Very high92.1Very high110 Ų11060.9 Ų60.959%0.58829%0.292SS*.Hα-helixtrans-59.8-39.3174.6-66.6-23.8000111.6K139K139-D143 WeakPolarHBondContact CE-OD2 3.33Å; K139-D143 WeakPolarHBondContact O-CB 3.45Å; K139-D143 PolarHBondContact O-N 2.85Å
144A90.1Very high92.1Very high23 Ų2360.9 Ų60.919%0.1929%0.293CS..THydrogen-bonded Turntrans-96.212.5-179.200000114.3M99 R140 D142 E146 E147 K148 F150M99-A144 HydrophobicContact CE-CB 4.49Å; R140-A144 WeakPolarHBondContact O-CB 3.42Å; R140-A144 PolarHBondContact O-N 2.83Å; D142-A144 VanDerWaalsContact C-N 3.32Å; D142-A144 PolarHBondContact O-N 2.66Å; A144-E146 VanDerWaalsContact C-N 3.3Å; A144-E146 PolarHBondContact O-N 3.07Å; A144-E147 PolarHBondContact O-N 3.19Å; A144-K148 PolarHBondContact O-N 3.29Å; A144-K148 VanDerWaalsContact O-N 3.14Å; A144-F150 HydrophobicContact CB-CE2 4.03Å; A144-F150 HydrophobicContact CB-CZ 3.83Å
145K89Confident92.2Very high115 Ų11560.9 Ų60.950%0.529%0.293SS..THydrogen-bonded Turntrans-70-20.3-169.2-165.9178.9-161.5160.40114.5M141 D142 K238M141-K145 WeakPolarHBondContact O-CB 3.37Å; M141-K145 PolarHBondContact O-N 3.31Å; D142-K145 WeakPolarHBondContact O-CB 3.47Å; D142-K145 PolarHBondContact O-N 3.1Å; D142-K145 WeakPolarHBondContact OD1-CD 3.43Å; D142-K145 WeakPolarHBondContact OD1-CE 3.31Å; D142-K145 IonicContact OD1-NZ 3.44Å; D142-K145 PolarHBondContact OD1-NZ 3.38Å; K145-K238 PolarHBondContact O-NZ 3.22Å
146E88.6Confident92.3Very high182 Ų18254.6 Ų54.685%0.8527%0.265SS*.THydrogen-bonded Turntrans-78.3-41.2178.2-59.5-164.5158.200111.2A144 K238A144-E146 VanDerWaalsContact C-N 3.3Å; A144-E146 PolarHBondContact O-N 3.07Å; E146-K238 VanDerWaalsContact O-CD 3.26Å; E146-K238 WeakPolarHBondContact O-CD 3.43Å
147E87.7Confident92.3Very high127 Ų12752.7 Ų52.759%0.59326%0.256SS*.THydrogen-bonded Turntrans-76.2-37.1179.4-57.8-177.4164.700113.4A144 K238A144-E147 PolarHBondContact O-N 3.19Å; E147-K238 WeakPolarHBondContact O-CB 3.47Å; E147-K238 PolarHBondContact O-N 3.06Å
148K88.8Confident92.3Very high47 Ų4752.8 Ų52.820%0.20426%0.257CS..EExtended strand (participates in β ladder)trans-128149.3-166.9-65-175.2179.8-169.30113.1A144 F150 Q236 D237 K238A144-K148 PolarHBondContact O-N 3.29Å; A144-K148 VanDerWaalsContact O-N 3.14Å; K148-F150 HydrophobicContact CB-CE1 4.15Å; K148-F150 HydrophobicContact CB-CE2 3.83Å; K148-F150 HydrophobicContact CB-CZ 3.59Å; K148-F150 HydrophobicContact CD-CE1 4.38Å; K148-F150 HydrophobicContact CD-CZ 4.12Å; K148-F150 HydrophobicContact CG-CZ 4.43Å; K148-Q236 WeakPolarHBondContact CA-O 3.29Å; K148-D237 WeakPolarHBondContact CE-OD1 3.39Å; K148-D237 IonicContact NZ-OD1 3.49Å; K148-K238 WeakPolarHBondContact O-CE 3.42Å
149E90Very high92.2Very high95 Ų9551.6 Ų51.644%0.44425%0.252SS..EExtended strand (participates in β ladder)trans-97.7129.5165.8-172.8-177.7-169.800109.6Q235 Q236 K238E149-Q235 CarbonylContact O-C 3.59Å; E149-Q235 WeakPolarHBondContact O-CA 3.34Å; E149-Q236 PolarHBondContact N-O 3.42Å; E149-Q236 PolarHBondContact O-N 3.36Å; E149-K238 HydrophobicContact CB-CG 4.4Å
150F92.1Very high92Very high34 Ų3447.4 Ų47.415%0.14923%0.233CC..EExtended strand (participates in β ladder)trans-113.7134.1-180-60.4-74.7000111.1M99 M141 A144 K148 L233 R234 Q235M99-F150 HydrophobicContact CE-CE1 3.81Å; M99-F150 HydrophobicContact CE-CZ 3.8Å; M141-F150 HydrophobicContact CB-CD2 4Å; M141-F150 HydrophobicContact CB-CE2 4.33Å; M141-F150 HydrophobicContact CB-CG 4.23Å; M141-F150 HydrophobicContact CE-CB 3.95Å; M141-F150 HydrophobicContact CG-CB 4.35Å; M141-F150 HydrophobicContact CG-CD1 4.1Å; M141-F150 HydrophobicContact CG-CD2 4.21Å; M141-F150 HydrophobicContact CG-CE1 4.48Å; M141-F150 HydrophobicContact CG-CG 3.96Å; M141-F150 WeakPolarHBondContact O-CD2 3.36Å; M141-F150 WeakPolarHBondContact O-CE2 3.44Å; A144-F150 HydrophobicContact CB-CE2 4.03Å; A144-F150 HydrophobicContact CB-CZ 3.83Å; K148-F150 HydrophobicContact CB-CE1 4.15Å; K148-F150 HydrophobicContact CB-CE2 3.83Å; K148-F150 HydrophobicContact CB-CZ 3.59Å; K148-F150 HydrophobicContact CD-CE1 4.38Å; K148-F150 HydrophobicContact CD-CZ 4.12Å; K148-F150 HydrophobicContact CG-CZ 4.43Å; F150-L233 HydrophobicContact CB-CD1 4.37Å; F150-L233 HydrophobicContact CD1-CD1 4.06Å; F150-R234 WeakPolarHBondContact CA-O 3.16Å; F150-Q235 HydrophobicContact CD1-CB 4.18Å; F150-Q235 HydrophobicContact CD1-CG 3.86Å; F150-Q235 HydrophobicContact CE1-CB 4.18Å; F150-Q235 HydrophobicContact CE1-CG 3.81Å
151T92.4Very high91.7Very high49 Ų4947.8 Ų47.830%0.30124%0.239SC..EExtended strand (participates in β ladder)trans-124.7113.2166.3-63.40000108.4R234T151-R234 PolarHBondContact N-O 2.71Å; T151-R234 PolarHBondContact O-N 2.78Å
152L94.5Very high91.5Very high13 Ų1347.6 Ų47.67%0.06824%0.237CC..EExtended strand (participates in β ladder)trans-103.3139.4178-166151000110.3L137 F138 M141 P194 I200 I231 Y232 L233L137-L152 HydrophobicContact CD2-CD1 3.75Å; L137-L152 HydrophobicContact CG-CD1 4.29Å; F138-L152 HydrophobicContact CE2-CD1 4.27Å; M141-L152 HydrophobicContact CE-CB 4.25Å; M141-L152 HydrophobicContact CE-CD1 4.22Å; M141-L152 HydrophobicContact SD-CD1 3.69Å; L152-P194 HydrophobicContact CD2-CG 3.39Å; L152-P194 VanDerWaalsContact O-CD 3.29Å; L152-P194 WeakPolarHBondContact O-CD 3.19Å; L152-I200 HydrophobicContact CD2-CD1 3.9Å; L152-I231 HydrophobicContact CD1-CG2 3.93Å; L152-I231 HydrophobicContact CD2-CG2 3.96Å; L152-I231 HydrophobicContact CG-CG2 3.88Å; L152-Y232 WeakPolarHBondContact CA-O 3.42Å; L152-L233 HydrophobicContact CB-CD1 4.37Å; L152-L233 HydrophobicContact CD1-CD1 4.33Å
153A95.1Very high91.4Very high17 Ų1746.7 Ų46.714%0.1423%0.23CC..EExtended strand (participates in β ladder)trans-135.2157.2167.500000110H192 I231 Y232A153-H192 CarbonylContact C-O 3.34Å; A153-H192 VanDerWaalsContact CA-O 3.26Å; A153-H192 WeakPolarHBondContact CA-O 3.34Å; A153-I231 WeakPolarHBondContact O-CA 3.31Å; A153-Y232 PolarHBondContact N-O 2.87Å; A153-Y232 PolarHBondContact O-N 2.89Å
154F95.5Very high91.4Very high1 Ų141.4 Ų41.40%0.00420%0.202CC..EExtended strand (participates in β ladder)trans-141.8159.8178.670.9-83.2000112.4L168 H192 P194 I200 A203 F229 Q230F154-L168 HydrophobicContact CD2-CD1 3.87Å; F154-L168 HydrophobicContact CE2-CD1 3.52Å; F154-H192 HydrophobicContact CD1-CB 4.07Å; F154-H192 WeakPolarHBondContact CD1-O 3.3Å; F154-H192 HydrophobicContact CD2-CB 4.45Å; F154-H192 HydrophobicContact CE1-CB 3.57Å; F154-H192 HydrophobicContact CE2-CB 4.03Å; F154-H192 HydrophobicContact CG-CB 4.49Å; F154-H192 HydrophobicContact CZ-CB 3.57Å; F154-H192 PolarHBondContact N-O 2.91Å; F154-H192 PolarHBondContact O-N 3.41Å; F154-P194 HydrophobicContact CD1-CB 4.11Å; F154-P194 HydrophobicContact CD1-CG 3.83Å; F154-P194 HydrophobicContact CE1-CB 3.76Å; F154-P194 HydrophobicContact CE1-CG 4Å; F154-I200 HydrophobicContact CD1-CD1 4.47Å; F154-I200 HydrophobicContact CD1-CG1 4.18Å; F154-I200 HydrophobicContact CE1-CG1 4.2Å; F154-A203 HydrophobicContact CE2-CB 3.58Å; F154-A203 HydrophobicContact CZ-CB 3.66Å; F154-F229 HydrophobicContact CB-CE2 4.32Å; F154-F229 HydrophobicContact CB-CZ 3.88Å; F154-F229 AromaticContact CD2-CE2 3.64Å; F154-F229 HydrophobicContact CD2-CE2 3.64Å; F154-F229 AromaticContact CD2-CZ 3.8Å; F154-F229 HydrophobicContact CD2-CZ 3.8Å; F154-F229 HydrophobicContact CE2-CE2 4.4Å; F154-F229 HydrophobicContact CG-CE2 4.34Å; F154-F229 HydrophobicContact CG-CZ 4.08Å; F154-Q230 CarbonylContact C-O 3.55Å; F154-Q230 WeakPolarHBondContact CA-O 3.18Å; F154-Q230 WeakPolarHBondContact CB-O 3.48Å
155S95.3Very high91.4Very high0 Ų043.2 Ų43.20%020%0.204CC..EExtended strand (participates in β ladder)trans-146.8146.4175.358.70000109.5T190 Q230S155-T190 WeakPolarHBondContact CB-O 3.43Å; S155-Q230 PolarHBondContact N-O 2.82Å; S155-Q230 PolarHBondContact O-N 2.87Å
156Y94.9Very high91.7Very high1 Ų138.2 Ų38.20%0.00418%0.183CC..EExtended strand (participates in β ladder)trans-130.4125.8178.6-163-166000110L167 L168 L204 N208 A227 F229Y156-L167 HydrophobicContact CD1-CB 3.95Å; Y156-L167 HydrophobicContact CD1-CD1 3.83Å; Y156-L167 HydrophobicContact CD2-CD1 3.9Å; Y156-L167 HydrophobicContact CE1-CD1 3.81Å; Y156-L167 HydrophobicContact CE2-CD1 3.91Å; Y156-L167 HydrophobicContact CG-CB 4.07Å; Y156-L167 HydrophobicContact CG-CD1 3.86Å; Y156-L167 PolarHBondContact O-N 3.36Å; Y156-L168 HydrophobicContact CD1-CD2 4.49Å; Y156-L204 HydrophobicContact CD1-CD2 4.33Å; Y156-L204 HydrophobicContact CE1-CD2 4.02Å; Y156-N208 PolarHBondContact OH-OD1 2.84Å; Y156-A227 HydrophobicContact CE2-CB 3.81Å; Y156-F229 HydrophobicContact CD1-CD2 4.29Å; Y156-F229 HydrophobicContact CD2-CB 3.79Å; Y156-F229 AromaticContact CD2-CD2 3.78Å; Y156-F229 HydrophobicContact CD2-CD2 3.78Å; Y156-F229 HydrophobicContact CD2-CG 4.3Å; Y156-F229 HydrophobicContact CE2-CB 3.92Å; Y156-F229 HydrophobicContact CE2-CD2 4.38Å; Y156-F229 AromaticContact CG-CD2 3.72Å; Y156-F229 HydrophobicContact CG-CD2 3.72Å; Y156-F229 HydrophobicContact CG-CE2 4.5Å
157L94.1Very high91.8Very high0 Ų029.8 Ų29.80%014%0.143CC..EExtended strand (participates in β ladder)trans-131.6152.5-178.768.987.8000112.8V159 I164 R165 V186 L189 V228 I312L157-V159 HydrophobicContact CD1-CG2 3.75Å; L157-I164 HydrophobicContact CB-CG2 4.24Å; L157-I164 HydrophobicContact CD1-CG2 4.13Å; L157-R165 CarbonylContact C-O 3.57Å; L157-R165 VanDerWaalsContact CA-O 3.29Å; L157-R165 WeakPolarHBondContact CA-O 3.47Å; L157-R165 WeakPolarHBondContact CB-O 3.29Å; L157-V186 HydrophobicContact CD2-CG2 4.15Å; L157-L189 HydrophobicContact CB-CD1 3.88Å; L157-L189 HydrophobicContact CD2-CD1 4.07Å; L157-L189 HydrophobicContact CD2-CD2 3.79Å; L157-V228 HydrophobicContact CD1-CB 3.78Å; L157-V228 HydrophobicContact CD1-CG2 4.08Å; L157-V228 HydrophobicContact CG-CB 3.98Å; L157-V228 PolarHBondContact N-O 3.41Å; L157-V228 VanDerWaalsContact N-O 3.1Å; L157-V228 PolarHBondContact O-N 3.33Å; L157-I312 HydrophobicContact CD1-CD1 4.15Å
158E92.6Very high92Very high1 Ų125.3 Ų25.31%0.00512%0.124CC..EExtended strand (participates in β ladder)trans-109.7133.1172.4172168.5-11000110I164 R165 L167 R211 T212 S225 H226E158-I164 CarbonylContact O-C 3.53Å; E158-I164 VanDerWaalsContact O-CA 3.29Å; E158-I164 WeakPolarHBondContact O-CA 3.48Å; E158-R165 PolarHBondContact N-O 3.32Å; E158-R165 PolarHBondContact O-N 3.38Å; E158-L167 HydrophobicContact CB-CD1 4.09Å; E158-L167 HydrophobicContact CB-CD2 3.76Å; E158-L167 HydrophobicContact CB-CG 3.95Å; E158-R211 WeakPolarHBondContact OE1-CG 3.38Å; E158-T212 VanDerWaalsContact CD-OG1 3.25Å; E158-T212 PolarHBondContact OE1-N 3.11Å; E158-T212 PolarHBondContact OE1-OG1 3.47Å; E158-T212 WeakPolarHBondContact OE2-CB 3.39Å; E158-T212 WeakPolarHBondContact OE2-CG2 3.29Å; E158-T212 PolarHBondContact OE2-N 2.78Å; E158-T212 PolarHBondContact OE2-OG1 2.62Å; E158-S225 WeakPolarHBondContact OE1-CB 3.37Å; E158-S225 PolarHBondContact OE1-OG 3.08Å; E158-H226 CarbonylContact C-O 3.52Å; E158-H226 WeakPolarHBondContact CA-O 3.23Å
159V92.1Very high91.9Very high3 Ų324.2 Ų24.22%0.01812%0.123CC..EExtended strand (participates in β ladder)trans-105.3105.5164.6-165.60000108.2L157 Q163 I164 H226 K308 I312L157-V159 HydrophobicContact CD1-CG2 3.75Å; V159-Q163 WeakPolarHBondContact CA-O 3.47Å; V159-I164 HydrophobicContact CG2-CG1 4.35Å; V159-H226 HydrophobicContact CB-CB 4.21Å; V159-H226 PolarHBondContact N-O 2.61Å; V159-H226 PolarHBondContact O-N 3.03Å; V159-K308 HydrophobicContact CG1-CB 4.42Å; V159-I312 HydrophobicContact CG2-CD1 4Å
160Y88.6Confident91.3Very high24 Ų2427.8 Ų27.89%0.09415%0.145CC..EExtended strand (participates in β ladder)trans-131.4133.5-179.9172.9-114000110.1E162 Q163 H214 R224 E274 I278Y160-E162 PolarHBondContact O-N 3.13Å; Y160-E162 VanDerWaalsContact O-N 3.1Å; Y160-Q163 PolarHBondContact N-O 3.33Å; Y160-Q163 WeakPolarHBondContact O-CA 3.45Å; Y160-Q163 WeakPolarHBondContact O-CB 3.49Å; Y160-Q163 PolarHBondContact O-N 2.83Å; Y160-H214 AromaticContact CD1-NE2 3.63Å; Y160-H214 AromaticContact CE1-CD2 3.49Å; Y160-H214 VanDerWaalsContact CE1-CD2 3.49Å; Y160-H214 WeakPolarHBondContact CE1-CD2 3.2Å; Y160-H214 AromaticContact CE1-NE2 3.36Å; Y160-H214 WeakPolarHBondContact CE1-NE2 3.26Å; Y160-R224 WeakPolarHBondContact CD2-O 3.45Å; Y160-R224 HydrophobicContact CE2-CB 4.35Å; Y160-E274 HydrophobicContact CE2-CG 4.26Å; Y160-E274 PolarHBondContact OH-OE1 3.1Å; Y160-I278 HydrophobicContact CE2-CD1 4.45Å
161N85.9Confident90.6Very high55 Ų5529.6 Ų29.629%0.29416%0.159SC..THydrogen-bonded Turntrans49.337-179.6-167.427.7000113.3Q163 N277N161-Q163 PolarHBondContact O-N 3.08Å; N161-Q163 VanDerWaalsContact O-N 3.1Å; N161-N277 WeakPolarHBondContact OD1-CB 3.44Å; N161-N277 PolarHBondContact OD1-ND2 3.17Å
162E89.1Confident90.1Very high18 Ų1829.5 Ų29.58%0.08417%0.167CC..THydrogen-bonded Turntrans5424.8-173.7-74.8-83.910300114.8Y160 R280 S307 K308Y160-E162 PolarHBondContact O-N 3.13Å; Y160-E162 VanDerWaalsContact O-N 3.1Å; E162-R280 IonicContact OE2-CZ 3.49Å; E162-R280 IonicContact OE2-NE 3.85Å; E162-R280 IonicContact OE2-NH2 2.75Å; E162-R280 PolarHBondContact OE2-NH2 3.18Å; E162-S307 VanDerWaalsContact OE2-CA 3.28Å; E162-S307 WeakPolarHBondContact OE2-CA 3.46Å; E162-K308 VanDerWaalsContact O-CD 3.25Å; E162-K308 WeakPolarHBondContact O-CD 3.4Å; E162-K308 WeakPolarHBondContact O-CE 3.44Å; E162-K308 PolarHBondContact O-NZ 3.35Å; E162-K308 PolarHBondContact OE1-N 3.17Å; E162-K308 PolarHBondContact OE2-N 3.48Å
163Q89.9Confident89.8Confident65 Ų6533 Ų3330%0.30419%0.191SC..EExtended strand (participates in β ladder)trans-100.4155.5159.1-61.2-176.8-12.500109.5V159 Y160 N161 P173V159-Q163 WeakPolarHBondContact CA-O 3.47Å; Y160-Q163 PolarHBondContact N-O 3.33Å; Y160-Q163 WeakPolarHBondContact O-CA 3.45Å; Y160-Q163 WeakPolarHBondContact O-CB 3.49Å; Y160-Q163 PolarHBondContact O-N 2.83Å; N161-Q163 PolarHBondContact O-N 3.08Å; N161-Q163 VanDerWaalsContact O-N 3.1Å; Q163-P173 HydrophobicContact CB-CB 4.5Å
164I92.4Very high89.7Confident0 Ų032.7 Ų32.70%019%0.187CC..EExtended strand (participates in β ladder)trans-112.6136.8169.3-62.4170000107.8L157 E158 V159 P173 L174 V176 V186 K308 I312L157-I164 HydrophobicContact CB-CG2 4.24Å; L157-I164 HydrophobicContact CD1-CG2 4.13Å; E158-I164 CarbonylContact O-C 3.53Å; E158-I164 VanDerWaalsContact O-CA 3.29Å; E158-I164 WeakPolarHBondContact O-CA 3.48Å; V159-I164 HydrophobicContact CG2-CG1 4.35Å; I164-P173 CarbonylContact O-C 3.55Å; I164-P173 VanDerWaalsContact O-CA 3.3Å; I164-P173 WeakPolarHBondContact O-CA 3.28Å; I164-L174 HydrophobicContact CB-CB 4.17Å; I164-L174 HydrophobicContact CG2-CB 4.04Å; I164-L174 HydrophobicContact CG2-CD1 4.39Å; I164-L174 PolarHBondContact O-N 2.87Å; I164-V176 HydrophobicContact CD1-CG2 3.17Å; I164-V186 HydrophobicContact CD1-CG1 4.42Å; I164-V186 HydrophobicContact CD1-CG2 4.32Å; I164-V186 HydrophobicContact CG2-CG1 4.09Å; I164-K308 HydrophobicContact CD1-CB 4.31Å; I164-K308 HydrophobicContact CD1-CD 4.07Å; I164-K308 HydrophobicContact CG1-CD 4.04Å; I164-I312 HydrophobicContact CD1-CD1 3.83Å
165R91.8Very high89.5Confident61 Ų6134.9 Ų34.923%0.2321%0.205CC..EExtended strand (participates in β ladder)trans-127.8144.2173.7-59.6178.9-172.9-163.7-2.2108.8L157 E158 T212 H214L157-R165 CarbonylContact C-O 3.57Å; L157-R165 VanDerWaalsContact CA-O 3.29Å; L157-R165 WeakPolarHBondContact CA-O 3.47Å; L157-R165 WeakPolarHBondContact CB-O 3.29Å; E158-R165 PolarHBondContact N-O 3.32Å; E158-R165 PolarHBondContact O-N 3.38Å; R165-T212 VanDerWaalsContact NH1-CG2 3.29Å; R165-H214 PolarHBondContact NH1-NE2 3.13Å; R165-H214 PolarHBondContact NH2-NE2 2.79Å
166D93.8Very high89.3Confident10 Ų1035.5 Ų35.55%0.05321%0.209CC..EExtended strand (participates in β ladder)trans-76.3137.6166.6-166.1-48.9000108L168 A169 L174 L189 T190D166-L168 WeakPolarHBondContact OD1-CA 3.28Å; D166-L168 PolarHBondContact OD1-N 2.85Å; D166-A169 PolarHBondContact OD1-N 2.84Å; D166-L174 HydrophobicContact CB-CD1 4.18Å; D166-L189 HydrophobicContact CB-CD1 4.5Å; D166-T190 PolarHBondContact OD1-OG1 2.59Å; D166-T190 WeakPolarHBondContact OD2-CB 3.38Å; D166-T190 WeakPolarHBondContact OD2-CG2 3.42Å; D166-T190 PolarHBondContact OD2-N 3.28Å; D166-T190 PolarHBondContact OD2-OG1 3.04Å
167L91.5Very high89Confident4 Ų442.4 Ų42.42%0.02124%0.235CC..SBendtrans-96-11.5179.3-69.6179.3000113Y156 E158 G207 N210 R211Y156-L167 HydrophobicContact CD1-CB 3.95Å; Y156-L167 HydrophobicContact CD1-CD1 3.83Å; Y156-L167 HydrophobicContact CD2-CD1 3.9Å; Y156-L167 HydrophobicContact CE1-CD1 3.81Å; Y156-L167 HydrophobicContact CE2-CD1 3.91Å; Y156-L167 HydrophobicContact CG-CB 4.07Å; Y156-L167 HydrophobicContact CG-CD1 3.86Å; Y156-L167 PolarHBondContact O-N 3.36Å; E158-L167 HydrophobicContact CB-CD1 4.09Å; E158-L167 HydrophobicContact CB-CD2 3.76Å; E158-L167 HydrophobicContact CB-CG 3.95Å; L167-G207 WeakPolarHBondContact O-CA 3.26Å; L167-N210 HydrophobicContact CD2-CB 4.47Å; L167-N210 PolarHBondContact O-ND2 3.29Å; L167-R211 HydrophobicContact CD2-CB 4.17Å
168L91.5Very high88.5Confident34 Ų3445.5 Ų45.518%0.17825%0.249CC..SBendtrans-101.6-21.9179.5-52.8178.7000111.9F154 Y156 D166 A203F154-L168 HydrophobicContact CD2-CD1 3.87Å; F154-L168 HydrophobicContact CE2-CD1 3.52Å; Y156-L168 HydrophobicContact CD1-CD2 4.49Å; D166-L168 WeakPolarHBondContact OD1-CA 3.28Å; D166-L168 PolarHBondContact OD1-N 2.85Å; L168-A203 HydrophobicContact CD2-CB 4.15Å; L168-A203 WeakPolarHBondContact CD2-O 3.49Å
169A87.7Confident87.7Confident24 Ų2448.2 Ų48.220%0.19826%0.264CS..SBendtrans-132.7134.9178.300000112.9D166 V171 T190D166-A169 PolarHBondContact OD1-N 2.84Å; A169-V171 HydrophobicContact CB-CG2 3.93Å; A169-V171 PolarHBondContact O-N 3.44Å; A169-T190 HydrophobicContact CB-CG2 3.62Å
170N76.1Confident86.6Confident169 Ų16954.7 Ų54.790%0.90431%0.309SS*.  trans-74.471.3175.2-78.4-23.6000111.7
171V77.1Confident85.3Confident73 Ų7358 Ų5844%0.44234%0.336SS..  trans-106.6149.6175.5-173.50000109.4A169 L174A169-V171 HydrophobicContact CB-CG2 3.93Å; A169-V171 PolarHBondContact O-N 3.44Å; V171-L174 HydrophobicContact CG1-CD2 3.89Å
172G83.3Confident84.3Confident46 Ų4662.7 Ų62.747%0.47435%0.354SS..  trans-64.2174.5174.800000113.8L174G172-L174 WeakPolarHBondContact O-CD2 3.2Å; G172-L174 PolarHBondContact O-N 3.02Å
173P88.3Confident83.8Confident86 Ų8663.2 Ų63.256%0.55836%0.364SS*.  trans-55.8124.4-172.7-27.936.1000114.5Q163 I164Q163-P173 HydrophobicContact CB-CB 4.5Å; I164-P173 CarbonylContact O-C 3.55Å; I164-P173 VanDerWaalsContact O-CA 3.3Å; I164-P173 WeakPolarHBondContact O-CA 3.28Å
174L92.5Very high83.5Confident11 Ų1161 Ų616%0.05836%0.355CS..BIsolated β-bridgetrans-85156.1-174.7-55.1-177.4000113.2I164 D166 V171 G172 V186 L189I164-L174 HydrophobicContact CB-CB 4.17Å; I164-L174 HydrophobicContact CG2-CB 4.04Å; I164-L174 HydrophobicContact CG2-CD1 4.39Å; I164-L174 PolarHBondContact O-N 2.87Å; D166-L174 HydrophobicContact CB-CD1 4.18Å; V171-L174 HydrophobicContact CG1-CD2 3.89Å; G172-L174 WeakPolarHBondContact O-CD2 3.2Å; G172-L174 PolarHBondContact O-N 3.02Å; L174-V186 HydrophobicContact CB-CG1 3.62Å; L174-V186 HydrophobicContact CD1-CG1 3.79Å; L174-V186 HydrophobicContact CG-CG1 4.38Å; L174-L189 HydrophobicContact CD1-CB 4.07Å; L174-L189 HydrophobicContact CD1-CD1 4.2Å
175A91.1Very high83.3Confident47 Ų4763.9 Ų63.939%0.38837%0.372SS..EExtended strand (participates in β ladder)trans-111.9131.5-175.400000112.6Q187A175-Q187 PolarHBondContact O-N 3.09Å
176V91.4Very high83.3Confident13 Ų1361.8 Ų61.88%0.07937%0.366CS..EExtended strand (participates in β ladder)trans-85.5120.3173.8-171.60000110.4I164 V184 K308 R311 I312I164-V176 HydrophobicContact CD1-CG2 3.17Å; V176-V184 HydrophobicContact CG1-CG1 3.34Å; V176-K308 HydrophobicContact CG2-CB 4.35Å; V176-K308 HydrophobicContact CG2-CD 4.45Å; V176-K308 HydrophobicContact CG2-CG 4.37Å; V176-R311 HydrophobicContact CG1-CB 4.05Å; V176-R311 PolarHBondContact O-NH1 3.27Å; V176-R311 PolarHBondContact O-NH2 2.89Å; V176-I312 HydrophobicContact CG2-CG1 4.38Å
177R88.6Confident83Confident147 Ų14766.1 Ų66.156%0.55539%0.386SS*.EExtended strand (participates in β ladder)trans-112.1160.7171.3-61.7-168.7-173-116.53.1110.6V185R177-V185 PolarHBondContact N-O 2.76Å; R177-V185 PolarHBondContact O-N 2.84Å
178E83.6Confident82.8Confident64 Ų6468.3 Ų68.330%0.29941%0.409SS..EExtended strand (participates in β ladder)trans-113.6121.5170.2-81.5150.3-113.300107V184 R305 R311 K314E178-V184 HydrophobicContact CG-CG2 3.97Å; E178-R305 IonicContact OE1-NE 3.93Å; E178-R305 IonicContact OE1-NH2 2.9Å; E178-R305 IonicContact OE2-CZ 3.28Å; E178-R305 IonicContact OE2-NE 2.69Å; E178-R305 PolarHBondContact OE2-NE 2.97Å; E178-R305 IonicContact OE2-NH2 2.78Å; E178-R305 PolarHBondContact OE2-NH2 3.24Å; E178-R311 IonicContact OE1-CZ 2.78Å; E178-R311 VanDerWaalsContact OE1-CZ 3.22Å; E178-R311 IonicContact OE1-NE 3.16Å; E178-R311 PolarHBondContact OE1-NE 2.95Å; E178-R311 IonicContact OE1-NH2 2.71Å; E178-R311 PolarHBondContact OE1-NH2 3.28Å; E178-K314 IonicContact OE2-NZ 3.65Å
179D76.5Confident82.9Confident59 Ų5968.1 Ų68.132%0.31641%0.409SS..EExtended strand (participates in β ladder)trans-105.2131.5177.7179.6-35.4000107.6S181 K182 G183 V185D179-S181 PolarHBondContact O-N 2.96Å; D179-S181 WeakPolarHBondContact OD1-CA 3.42Å; D179-S181 WeakPolarHBondContact OD1-CB 3.45Å; D179-S181 PolarHBondContact OD1-N 3.18Å; D179-S181 PolarHBondContact OD1-OG 3.15Å; D179-K182 HydrophobicContact CB-CB 4.05Å; D179-K182 PolarHBondContact OD1-N 3.43Å; D179-K182 VanDerWaalsContact OD1-N 3.14Å; D179-G183 PolarHBondContact N-O 3.46Å; D179-G183 WeakPolarHBondContact O-CA 3.06Å; D179-G183 PolarHBondContact O-N 3.4Å; D179-V185 HydrophobicContact CB-CG2 4.43Å
180S67.9Low83.1Confident138 Ų13868.7 Ų68.797%0.96541%0.41SS*.THydrogen-bonded Turntrans-65.3-21.9-178.750.20000113.6
181S62.2Low83.9Confident93 Ų9365.9 Ų65.965%0.6539%0.394SS*.THydrogen-bonded Turntrans-100.8-30.8179.169.50000113.7D179D179-S181 PolarHBondContact O-N 2.96Å; D179-S181 WeakPolarHBondContact OD1-CA 3.42Å; D179-S181 WeakPolarHBondContact OD1-CB 3.45Å; D179-S181 PolarHBondContact OD1-N 3.18Å; D179-S181 PolarHBondContact OD1-OG 3.15Å
182K64.8Low84.7Confident155 Ų15565.5 Ų65.567%0.67439%0.387SS*.THydrogen-bonded Turntrans-115.3-0.2-172.1-65.7168.3-166.1159.60115.1D179 V185D179-K182 HydrophobicContact CB-CB 4.05Å; D179-K182 PolarHBondContact OD1-N 3.43Å; D179-K182 VanDerWaalsContact OD1-N 3.14Å; K182-V185 HydrophobicContact CB-CG2 4.02Å
183G77.7Confident85.2Confident29 Ų2970.7 Ų70.730%0.29940%0.397SS..EExtended strand (participates in β ladder)trans73.2-139.3-179.400000112.3D179D179-G183 PolarHBondContact N-O 3.46Å; D179-G183 WeakPolarHBondContact O-CA 3.06Å; D179-G183 PolarHBondContact O-N 3.4Å
184V84.6Confident85.4Confident19 Ų1967.7 Ų67.712%0.11538%0.377CS..EExtended strand (participates in β ladder)trans-87.6120.7-176.1-172.90000111V176 E178 R311 K314V176-V184 HydrophobicContact CG1-CG1 3.34Å; E178-V184 HydrophobicContact CG-CG2 3.97Å; V184-R311 HydrophobicContact CG1-CB 4.44Å; V184-R311 WeakPolarHBondContact CG1-O 3.47Å; V184-R311 WeakPolarHBondContact CG2-O 3.23Å; V184-K314 HydrophobicContact CG2-CB 4.16Å; V184-K314 HydrophobicContact CG2-CD 3.96Å
185V86.9Confident85.1Confident60 Ų6076.3 Ų76.336%0.36441%0.414SS..EExtended strand (participates in β ladder)trans-126.9134.7-175-175.50000110.5R177 D179 K182R177-V185 PolarHBondContact N-O 2.76Å; R177-V185 PolarHBondContact O-N 2.84Å; D179-V185 HydrophobicContact CB-CG2 4.43Å; K182-V185 HydrophobicContact CB-CG2 4.02Å
186V91.4Very high85Confident16 Ų1675.8 Ų75.810%0.09741%0.408CS..EExtended strand (participates in β ladder)trans-88.9110171.5-177.50000108.6L157 I164 L174 G188 L189 I312L157-V186 HydrophobicContact CD2-CG2 4.15Å; I164-V186 HydrophobicContact CD1-CG1 4.42Å; I164-V186 HydrophobicContact CD1-CG2 4.32Å; I164-V186 HydrophobicContact CG2-CG1 4.09Å; L174-V186 HydrophobicContact CB-CG1 3.62Å; L174-V186 HydrophobicContact CD1-CG1 3.79Å; L174-V186 HydrophobicContact CG-CG1 4.38Å; V186-G188 PolarHBondContact O-N 2.87Å; V186-L189 HydrophobicContact CB-CB 4.04Å; V186-L189 HydrophobicContact CB-CD2 4.23Å; V186-L189 HydrophobicContact CG1-CB 4.02Å; V186-L189 PolarHBondContact O-N 3.11Å; V186-I312 HydrophobicContact CG2-CD1 4.41Å; V186-I312 HydrophobicContact CG2-CG1 4.33Å
187Q89Confident84.8Confident102 Ų10275.6 Ų75.648%0.47741%0.408SS..EExtended strand (participates in β ladder)trans-70.2125.9-179.5-173.1-177.51900110.3A175A175-Q187 PolarHBondContact O-N 3.09Å
188G87.5Confident84.7Confident49 Ų4973.9 Ų73.951%0.50541%0.406SS..THydrogen-bonded Turntrans89.12.1178.700000115V186V186-G188 PolarHBondContact O-N 2.87Å
189L92.3Very high85.1Confident31 Ų3173.6 Ų73.616%0.16240%0.404CS..  trans-66.3132.1171-177.466.8000110.1L157 D166 L174 V186L157-L189 HydrophobicContact CB-CD1 3.88Å; L157-L189 HydrophobicContact CD2-CD1 4.07Å; L157-L189 HydrophobicContact CD2-CD2 3.79Å; D166-L189 HydrophobicContact CB-CD1 4.5Å; L174-L189 HydrophobicContact CD1-CB 4.07Å; L174-L189 HydrophobicContact CD1-CD1 4.2Å; V186-L189 HydrophobicContact CB-CB 4.04Å; V186-L189 HydrophobicContact CB-CD2 4.23Å; V186-L189 HydrophobicContact CG1-CB 4.02Å; V186-L189 PolarHBondContact O-N 3.11Å
190T92.4Very high85.7Confident36 Ų3670.8 Ų70.822%0.22139%0.389CS..  trans-77.6147.7178.960.70000112.1S155 D166 A169 H192S155-T190 WeakPolarHBondContact CB-O 3.43Å; D166-T190 PolarHBondContact OD1-OG1 2.59Å; D166-T190 WeakPolarHBondContact OD2-CB 3.38Å; D166-T190 WeakPolarHBondContact OD2-CG2 3.42Å; D166-T190 PolarHBondContact OD2-N 3.28Å; D166-T190 PolarHBondContact OD2-OG1 3.04Å; A169-T190 HydrophobicContact CB-CG2 3.62Å; T190-H192 PolarHBondContact OG1-CD2 3.38Å; T190-H192 PolarHBondContact OG1-NE2 2.96Å
191L93.1Very high86.6Confident109 Ų10965.3 Ų65.357%0.57135%0.349SS*.  trans-123.9109.8176.7-78166.6000109.1Y232L191-Y232 HydrophobicContact CD2-CD2 3.7Å; L191-Y232 HydrophobicContact CD2-CE2 3.65Å
192H93.6Very high87.8Confident65 Ų6566.9 Ų66.930%0.30135%0.346SS..BIsolated β-bridgetrans-97.3133.9-177.5-70-105.2000110.3A153 F154 T190A153-H192 CarbonylContact C-O 3.34Å; A153-H192 VanDerWaalsContact CA-O 3.26Å; A153-H192 WeakPolarHBondContact CA-O 3.34Å; F154-H192 HydrophobicContact CD1-CB 4.07Å; F154-H192 WeakPolarHBondContact CD1-O 3.3Å; F154-H192 HydrophobicContact CD2-CB 4.45Å; F154-H192 HydrophobicContact CE1-CB 3.57Å; F154-H192 HydrophobicContact CE2-CB 4.03Å; F154-H192 HydrophobicContact CG-CB 4.49Å; F154-H192 HydrophobicContact CZ-CB 3.57Å; F154-H192 PolarHBondContact N-O 2.91Å; F154-H192 PolarHBondContact O-N 3.41Å; T190-H192 PolarHBondContact OG1-CD2 3.38Å; T190-H192 PolarHBondContact OG1-NE2 2.96Å
193K93.8Very high89.1Confident156 Ų15660.2 Ų60.268%0.67832%0.32SS*.PPolyproline II helixtrans-90.5120168.2-68.2-173.3177.5-174.20108.7
194P92.3Very high89.6Confident23 Ų2359 Ų5915%0.14931%0.307CS..PPolyproline II helixtrans-80.6156.2177.526.7-19.8000111.5F138 L152 F154 I200F138-P194 HydrophobicContact CZ-CB 4.49Å; F138-P194 HydrophobicContact CZ-CG 4.24Å; L152-P194 HydrophobicContact CD2-CG 3.39Å; L152-P194 VanDerWaalsContact O-CD 3.29Å; L152-P194 WeakPolarHBondContact O-CD 3.19Å; F154-P194 HydrophobicContact CD1-CB 4.11Å; F154-P194 HydrophobicContact CD1-CG 3.83Å; F154-P194 HydrophobicContact CE1-CB 3.76Å; F154-P194 HydrophobicContact CE1-CG 4Å; P194-I200 HydrophobicContact CB-CD1 4.07Å; P194-I200 HydrophobicContact CB-CG1 3.56Å; P194-I200 HydrophobicContact CG-CD1 3.8Å; P194-I200 HydrophobicContact CG-CG1 3.86Å
195K86.9Confident89.6Confident191 Ų19162 Ų6283%0.8332%0.322SS*.SBendtrans-93.5-28.8174.6-61.3178.5-176.1174.40112.8
196S88Confident89.7Confident37 Ų3761.3 Ų61.326%0.25932%0.32SS..SBendtrans-158.5178.9-17973.40000109.9F138 E198F138-S196 VanDerWaalsContact CE1-C 3.49Å; F138-S196 VanDerWaalsContact CZ-C 3.48Å; S196-E198 WeakPolarHBondContact CB-OE2 3.4Å; S196-E198 PolarHBondContact OG-N 3.26Å; S196-E198 PolarHBondContact OG-OE2 2.82Å
197A87.3Confident89.5Confident9 Ų960.5 Ų60.57%0.07432%0.315CS..Hα-helixtrans-63.9-41.6174.500000111.5F138 H199 I200 L201F138-A197 HydrophobicContact CB-CB 4.21Å; F138-A197 HydrophobicContact CD1-CB 4.41Å; F138-A197 HydrophobicContact CD2-CB 3.85Å; F138-A197 HydrophobicContact CE2-CB 4.35Å; F138-A197 HydrophobicContact CG-CB 3.88Å; A197-H199 VanDerWaalsContact C-N 3.3Å; A197-H199 PolarHBondContact O-N 2.87Å; A197-I200 WeakPolarHBondContact O-CA 3.3Å; A197-I200 WeakPolarHBondContact O-CB 3.26Å; A197-I200 PolarHBondContact O-N 3.35Å; A197-L201 WeakPolarHBondContact O-CG 3.33Å; A197-L201 PolarHBondContact O-N 2.99Å; A197-L201 VanDerWaalsContact O-N 3.16Å
198E87.9Confident89.1Confident111 Ų11157.5 Ų57.552%0.51930%0.302SS..Hα-helixtrans-58.1-41.8-178.6-58.567.6-142.300111.3S196 I200 L201 E202S196-E198 WeakPolarHBondContact CB-OE2 3.4Å; S196-E198 PolarHBondContact OG-N 3.26Å; S196-E198 PolarHBondContact OG-OE2 2.82Å; E198-I200 VanDerWaalsContact C-N 3.25Å; E198-I200 PolarHBondContact O-N 3.33Å; E198-L201 CarbonylContact O-C 3.29Å; E198-L201 WeakPolarHBondContact O-CA 3.44Å; E198-L201 WeakPolarHBondContact O-CB 3.49Å; E198-L201 PolarHBondContact O-N 3.41Å; E198-E202 WeakPolarHBondContact O-CG 3.36Å; E198-E202 PolarHBondContact O-N 2.96Å
199H90.1Very high88.9Confident58 Ų5862.5 Ų62.527%0.26931%0.306SS..Hα-helixtrans-63.9-26.5176.1-179.6-87.6000113.3A197 A203A197-H199 VanDerWaalsContact C-N 3.3Å; A197-H199 PolarHBondContact O-N 2.87Å; H199-A203 VanDerWaalsContact O-CB 3.29Å; H199-A203 WeakPolarHBondContact O-CB 3.29Å; H199-A203 PolarHBondContact O-N 3.5Å
200I89.5Confident88.4Confident0 Ų064.3 Ų64.30%032%0.316CS..Hα-helixtrans-73.4-39.2169.9-61.6-174.3000110.5M134 F138 L152 F154 P194 A197 E198 A203 L204 F229M134-I200 HydrophobicContact CG-CB 4.48Å; M134-I200 HydrophobicContact CG-CG2 3.83Å; M134-I200 HydrophobicContact SD-CD1 4.2Å; M134-I200 HydrophobicContact SD-CG2 4.1Å; F138-I200 HydrophobicContact CE2-CD1 3.66Å; F138-I200 HydrophobicContact CZ-CD1 4.24Å; L152-I200 HydrophobicContact CD2-CD1 3.9Å; F154-I200 HydrophobicContact CD1-CD1 4.47Å; F154-I200 HydrophobicContact CD1-CG1 4.18Å; F154-I200 HydrophobicContact CE1-CG1 4.2Å; P194-I200 HydrophobicContact CB-CD1 4.07Å; P194-I200 HydrophobicContact CB-CG1 3.56Å; P194-I200 HydrophobicContact CG-CD1 3.8Å; P194-I200 HydrophobicContact CG-CG1 3.86Å; A197-I200 WeakPolarHBondContact O-CA 3.3Å; A197-I200 WeakPolarHBondContact O-CB 3.26Å; A197-I200 PolarHBondContact O-N 3.35Å; E198-I200 VanDerWaalsContact C-N 3.25Å; E198-I200 PolarHBondContact O-N 3.33Å; I200-A203 CarbonylContact O-C 3.52Å; I200-A203 PolarHBondContact O-N 3.01Å; I200-L204 HydrophobicContact CG2-CD1 4.07Å; I200-L204 HydrophobicContact CG2-CG 4.37Å; I200-L204 WeakPolarHBondContact O-CB 3.39Å; I200-L204 WeakPolarHBondContact O-CG 3.46Å; I200-L204 PolarHBondContact O-N 3.09Å; I200-F229 HydrophobicContact CG2-CE1 4.06Å; I200-F229 HydrophobicContact CG2-CE2 4.43Å; I200-F229 HydrophobicContact CG2-CZ 3.51Å
201L86.6Confident87.9Confident23 Ų2363.2 Ų63.212%0.1231%0.308CS..Hα-helixtrans-67.2-44-179.6-58.5170.6000111.1Y131 M134 A197 E198 A203 L204 D205Y131-L201 HydrophobicContact CD2-CD1 3.74Å; Y131-L201 HydrophobicContact CD2-CD2 3.48Å; Y131-L201 VanDerWaalsContact CD2-CD2 3.48Å; Y131-L201 HydrophobicContact CD2-CG 4.16Å; Y131-L201 HydrophobicContact CE2-CD1 3.38Å; Y131-L201 HydrophobicContact CE2-CD2 4.07Å; Y131-L201 HydrophobicContact CE2-CG 4.26Å; Y131-L201 HydrophobicContact CG-CD1 4.43Å; Y131-L201 HydrophobicContact CG-CD2 3.85Å; M134-L201 HydrophobicContact CB-CD2 4.47Å; A197-L201 WeakPolarHBondContact O-CG 3.33Å; A197-L201 PolarHBondContact O-N 2.99Å; A197-L201 VanDerWaalsContact O-N 3.16Å; E198-L201 CarbonylContact O-C 3.29Å; E198-L201 WeakPolarHBondContact O-CA 3.44Å; E198-L201 WeakPolarHBondContact O-CB 3.49Å; E198-L201 PolarHBondContact O-N 3.41Å; L201-A203 VanDerWaalsContact C-N 3.29Å; L201-A203 PolarHBondContact O-N 3.4Å; L201-L204 HydrophobicContact CD2-CD1 4.33Å; L201-L204 WeakPolarHBondContact O-CB 3.46Å; L201-L204 PolarHBondContact O-N 2.86Å; L201-D205 PolarHBondContact O-N 3.36Å
202E89.2Confident86.2Confident125 Ų12558.8 Ų58.858%0.58429%0.285SS*.Hα-helixtrans-57-40.9169.9-70.8175.6171.900112.3E198 D205 S206E198-E202 WeakPolarHBondContact O-CG 3.36Å; E198-E202 PolarHBondContact O-N 2.96Å; E202-D205 PolarHBondContact O-N 3.43Å; E202-S206 VanDerWaalsContact O-CB 3.3Å; E202-S206 WeakPolarHBondContact O-CB 2.87Å; E202-S206 PolarHBondContact O-N 2.74Å
203A90.4Very high84.1Confident15 Ų1563.2 Ų63.212%0.12431%0.306CS..Hα-helixtrans-73.2-34178.600000112.9F154 L168 H199 I200 L201 G207F154-A203 HydrophobicContact CE2-CB 3.58Å; F154-A203 HydrophobicContact CZ-CB 3.66Å; L168-A203 HydrophobicContact CD2-CB 4.15Å; L168-A203 WeakPolarHBondContact CD2-O 3.49Å; H199-A203 VanDerWaalsContact O-CB 3.29Å; H199-A203 WeakPolarHBondContact O-CB 3.29Å; H199-A203 PolarHBondContact O-N 3.5Å; I200-A203 CarbonylContact O-C 3.52Å; I200-A203 PolarHBondContact O-N 3.01Å; L201-A203 VanDerWaalsContact C-N 3.29Å; L201-A203 PolarHBondContact O-N 3.4Å; A203-G207 PolarHBondContact O-N 2.9Å
204L88.1Confident81.9Confident5 Ų560.5 Ų60.53%0.02630%0.295CS..Hα-helixtrans-62.7-49.2169.3-80.5165.9000110.2M130 Y156 I200 L201 S206 G207 N208 F229M130-L204 HydrophobicContact SD-CD2 4.37Å; Y156-L204 HydrophobicContact CD1-CD2 4.33Å; Y156-L204 HydrophobicContact CE1-CD2 4.02Å; I200-L204 HydrophobicContact CG2-CD1 4.07Å; I200-L204 HydrophobicContact CG2-CG 4.37Å; I200-L204 WeakPolarHBondContact O-CB 3.39Å; I200-L204 WeakPolarHBondContact O-CG 3.46Å; I200-L204 PolarHBondContact O-N 3.09Å; L201-L204 HydrophobicContact CD2-CD1 4.33Å; L201-L204 WeakPolarHBondContact O-CB 3.46Å; L201-L204 PolarHBondContact O-N 2.86Å; L204-S206 VanDerWaalsContact C-N 3.34Å; L204-S206 PolarHBondContact O-N 2.91Å; L204-G207 CarbonylContact O-C 3.58Å; L204-G207 PolarHBondContact O-N 3.39Å; L204-N208 VanDerWaalsContact O-CB 3.32Å; L204-N208 WeakPolarHBondContact O-CB 3.18Å; L204-N208 PolarHBondContact O-N 3Å; L204-N208 PolarHBondContact O-ND2 3.06Å; L204-F229 HydrophobicContact CD2-CB 4.37Å; L204-F229 HydrophobicContact CD2-CD1 4.23Å; L204-F229 HydrophobicContact CD2-CD2 3.49Å; L204-F229 VanDerWaalsContact CD2-CD2 3.49Å; L204-F229 HydrophobicContact CD2-CE1 4.43Å; L204-F229 HydrophobicContact CD2-CE2 3.75Å; L204-F229 HydrophobicContact CD2-CG 3.77Å; L204-F229 HydrophobicContact CD2-CZ 4.24Å; L204-F229 HydrophobicContact CG-CD2 4.32Å; L204-F229 HydrophobicContact CG-CE2 4.07Å; L204-F229 HydrophobicContact CG-CZ 4.3Å
205D86.1Confident79.6Confident80 Ų8065.4 Ų65.443%0.42833%0.327SS..Hα-helixtrans-67.6-32.1178.6-76.7-12.6000113L201 E202 R209L201-D205 PolarHBondContact O-N 3.36Å; E202-D205 PolarHBondContact O-N 3.43Å; D205-R209 WeakPolarHBondContact O-CG 3.49Å; D205-R209 PolarHBondContact O-N 2.77Å; D205-R209 PolarHBondContact O-NE 2.8Å
206S87.9Confident77.5Confident46 Ų4659.5 Ų59.532%0.32231%0.307SS..Hα-helixtrans-65.7-50.5168.8-1720000111E202 L204 N208 R209 N210E202-S206 VanDerWaalsContact O-CB 3.3Å; E202-S206 WeakPolarHBondContact O-CB 2.87Å; E202-S206 PolarHBondContact O-N 2.74Å; L204-S206 VanDerWaalsContact C-N 3.34Å; L204-S206 PolarHBondContact O-N 2.91Å; S206-N208 VanDerWaalsContact C-N 3.3Å; S206-N208 PolarHBondContact O-N 3.12Å; S206-R209 PolarHBondContact O-N 3.49Å; S206-R209 VanDerWaalsContact O-N 3.09Å; S206-N210 VanDerWaalsContact O-CG 3.23Å; S206-N210 PolarHBondContact O-N 3Å; S206-N210 PolarHBondContact O-ND2 2.94Å
207G87.6Confident75.1Confident0 Ų061 Ų610%031%0.312CS..Hα-helixtrans-63-33.317800000113.9L167 A203 L204 N210 R211L167-G207 WeakPolarHBondContact O-CA 3.26Å; A203-G207 PolarHBondContact O-N 2.9Å; L204-G207 CarbonylContact O-C 3.58Å; L204-G207 PolarHBondContact O-N 3.39Å; G207-N210 CarbonylContact O-C 3.56Å; G207-N210 PolarHBondContact O-N 2.76Å; G207-R211 PolarHBondContact O-N 3.05Å
208N81.6Confident72.8Confident38 Ų3869.4 Ų69.420%0.20335%0.352CS..Hα-helixtrans-68.6-33.2173.6-72.1-32.8000112.6L121 Y156 L204 S206 R211L121-N208 VanDerWaalsContact CD1-ND2 3.33Å; L121-N208 WeakPolarHBondContact CD1-ND2 3.34Å; L121-N208 VanDerWaalsContact CD2-ND2 3.3Å; L121-N208 WeakPolarHBondContact CD2-ND2 3.47Å; Y156-N208 PolarHBondContact OH-OD1 2.84Å; L204-N208 VanDerWaalsContact O-CB 3.32Å; L204-N208 WeakPolarHBondContact O-CB 3.18Å; L204-N208 PolarHBondContact O-N 3Å; L204-N208 PolarHBondContact O-ND2 3.06Å; S206-N208 VanDerWaalsContact C-N 3.3Å; S206-N208 PolarHBondContact O-N 3.12Å; N208-R211 WeakPolarHBondContact O-CB 3.27Å
209R82.1Confident70.9Confident155 Ų15568.5 Ų68.559%0.58535%0.351SS*.Hα-helixtrans-74.2-28.9171.6-74.4173.7-71.8175-1.7112.3D205 S206 Q213D205-R209 WeakPolarHBondContact O-CG 3.49Å; D205-R209 PolarHBondContact O-N 2.77Å; D205-R209 PolarHBondContact O-NE 2.8Å; S206-R209 PolarHBondContact O-N 3.49Å; S206-R209 VanDerWaalsContact O-N 3.09Å; R209-Q213 PolarHBondContact O-NE2 2.98Å
210N82.3Confident69.3Low69 Ų6969 Ų6937%0.36937%0.365SS..Hα-helixtrans-81.1-24.6175.6-62-19.3000112.9L167 S206 G207 T212L167-N210 HydrophobicContact CD2-CB 4.47Å; L167-N210 PolarHBondContact O-ND2 3.29Å; S206-N210 VanDerWaalsContact O-CG 3.23Å; S206-N210 PolarHBondContact O-N 3Å; S206-N210 PolarHBondContact O-ND2 2.94Å; G207-N210 CarbonylContact O-C 3.56Å; G207-N210 PolarHBondContact O-N 2.76Å; N210-T212 PolarHBondContact O-N 3.05Å
211R81.7Confident67.8Low13 Ų1371.9 Ų71.95%0.04938%0.383CS..SBendtrans-53.7125.9174.8-166.7-179.4176.7179.1-1.8109.1E158 L167 G207 N208 Q213 S222 S225 D255E158-R211 WeakPolarHBondContact OE1-CG 3.38Å; L167-R211 HydrophobicContact CD2-CB 4.17Å; G207-R211 PolarHBondContact O-N 3.05Å; N208-R211 WeakPolarHBondContact O-CB 3.27Å; R211-Q213 PolarHBondContact O-N 3.47Å; R211-S222 PolarHBondContact NH2-O 2.86Å; R211-S225 PolarHBondContact NE-OG 3.49Å; R211-S225 VanDerWaalsContact NE-OG 3.07Å; R211-S225 PolarHBondContact NH2-O 2.9Å; R211-D255 IonicContact CZ-OD2 3.92Å; R211-D255 IonicContact NH1-OD2 3.25Å; R211-D255 PolarHBondContact NH1-OD2 3.33Å; R211-D255 IonicContact NH2-OD2 3.57Å; R211-D255 PolarHBondContact NH2-OD2 3.21Å; R211-D255 VanDerWaalsContact NH2-OD2 3.14Å
212T57.2Low66.8Low16 Ų1672.3 Ų72.310%0.09839%0.388CS..  trans-53.7112.8-135.815.10000116.4E158 R165 N210 H214 T221E158-T212 VanDerWaalsContact CD-OG1 3.25Å; E158-T212 PolarHBondContact OE1-N 3.11Å; E158-T212 PolarHBondContact OE1-OG1 3.47Å; E158-T212 WeakPolarHBondContact OE2-CB 3.39Å; E158-T212 WeakPolarHBondContact OE2-CG2 3.29Å; E158-T212 PolarHBondContact OE2-N 2.78Å; E158-T212 PolarHBondContact OE2-OG1 2.62Å; R165-T212 VanDerWaalsContact NH1-CG2 3.29Å; N210-T212 PolarHBondContact O-N 3.05Å; T212-H214 PolarHBondContact O-N 2.95Å; T212-T221 WeakPolarHBondContact O-CG2 3.32Å
213Q50.3Low66Low157 Ų15767 Ų6773%0.73436%0.364SS*.  trans-72.666.3163.9-61.4-17424.100110.6R209 R211R209-Q213 PolarHBondContact O-NE2 2.98Å; R211-Q213 PolarHBondContact O-N 3.47Å
214H47.3Very low65.4Low99 Ų9968.9 Ų68.946%0.45837%0.368SS..  trans-77.4132.1175.1-98.1-60.6000110.6Y160 R165 T212 T216Y160-H214 AromaticContact CD1-NE2 3.63Å; Y160-H214 AromaticContact CE1-CD2 3.49Å; Y160-H214 VanDerWaalsContact CE1-CD2 3.49Å; Y160-H214 WeakPolarHBondContact CE1-CD2 3.2Å; Y160-H214 AromaticContact CE1-NE2 3.36Å; Y160-H214 WeakPolarHBondContact CE1-NE2 3.26Å; R165-H214 PolarHBondContact NH1-NE2 3.13Å; R165-H214 PolarHBondContact NH2-NE2 2.79Å; T212-H214 PolarHBondContact O-N 2.95Å; H214-T216 PolarHBondContact O-N 2.8Å
215P43.7Very low65.4Low126 Ų12668.7 Ų68.782%0.81837%0.367SS*.SBendtrans-66.721.3-173.3-25.135.7000117.9
216T42.4Very low65.7Low67 Ų6765 Ų6541%0.41135%0.348SS..SBendtrans-126.5100.8-167.254.20000113.4H214H214-T216 PolarHBondContact O-N 2.8Å
217D37.2Very low65.9Low68 Ų6862.9 Ų62.936%0.36433%0.333SS..  trans63.7103164.9-79.639.6000119.4N219 R271D217-N219 PolarHBondContact O-N 3.15Å; D217-N219 PolarHBondContact O-ND2 3.47Å; D217-R271 VanDerWaalsContact CG-NH1 3.27Å; D217-R271 IonicContact OD1-CZ 3.21Å; D217-R271 VanDerWaalsContact OD1-CZ 3.24Å; D217-R271 IonicContact OD1-NH1 2.59Å; D217-R271 PolarHBondContact OD1-NH1 2.84Å; D217-R271 IonicContact OD1-NH2 2.72Å; D217-R271 PolarHBondContact OD1-NH2 3.47Å; D217-R271 IonicContact OD2-CZ 2.68Å; D217-R271 IonicContact OD2-NE 2.61Å; D217-R271 IonicContact OD2-NH1 3.83Å; D217-R271 PolarHBondContact OD2-NH1 3.25Å; D217-R271 IonicContact OD2-NH2 2.81Å; D217-R271 PolarHBondContact OD2-NH2 3.33Å
218M40.6Very low66.2Low187 Ų18763 Ų6392%0.92133%0.333SS*.SBend56.18.3109.6-152.3169.270.700119
219N46.8Very low66.9Low92 Ų9261.1 Ų61.149%0.49232%0.324SS..SBendtrans-132144.7179-60.3-98.9000107.6D217 T221 R224D217-N219 PolarHBondContact O-N 3.15Å; D217-N219 PolarHBondContact O-ND2 3.47Å; N219-T221 PolarHBondContact O-N 3.03Å; N219-T221 VanDerWaalsContact O-N 3.14Å; N219-R224 PolarHBondContact ND2-NH2 2.69Å; N219-R224 VanDerWaalsContact ND2-NH2 3.14Å
220A56.8Low67.5Low67 Ų6754.3 Ų54.355%0.55430%0.298SS*.  trans-61119-179.200000111.2S222 S223A220-S222 PolarHBondContact O-N 3.35Å; A220-S223 VanDerWaalsContact O-CB 3.31Å; A220-S223 WeakPolarHBondContact O-CB 3.18Å; A220-S223 PolarHBondContact O-N 3Å; A220-S223 PolarHBondContact O-OG 2.86Å
221T58.5Low68.1Low61 Ų6151 Ų5137%0.37428%0.281SS..G310 helixtrans-48.6-37.6-176-56.90000113.8T212 N219 S223 R224T212-T221 WeakPolarHBondContact O-CG2 3.32Å; N219-T221 PolarHBondContact O-N 3.03Å; N219-T221 VanDerWaalsContact O-N 3.14Å; T221-S223 PolarHBondContact O-N 2.92Å; T221-R224 PolarHBondContact O-N 2.88Å
222S65.1Low68.7Low32 Ų3253.7 Ų53.722%0.22429%0.291CS..G310 helixtrans-59.7-16.9178.454.90000114.7R211 A220 R224R211-S222 PolarHBondContact NH2-O 2.86Å; A220-S222 PolarHBondContact O-N 3.35Å; S222-R224 VanDerWaalsContact C-N 3.34Å
223S72.1Confident70.5Confident14 Ų1453 Ų5310%0.09829%0.287CS..G310 helixtrans-69.6-25.917260.90000114T112 A220 T221 A257 G258T112-S223 WeakPolarHBondContact OG1-CB 3.13Å; A220-S223 VanDerWaalsContact O-CB 3.31Å; A220-S223 WeakPolarHBondContact O-CB 3.18Å; A220-S223 PolarHBondContact O-N 3Å; A220-S223 PolarHBondContact O-OG 2.86Å; T221-S223 PolarHBondContact O-N 2.92Å; S223-A257 WeakPolarHBondContact O-CA 3.4Å; S223-A257 WeakPolarHBondContact O-CB 3.49Å; S223-G258 PolarHBondContact O-N 2.82Å
224R78.7Confident72.4Confident54 Ų5449.2 Ų49.220%0.20427%0.266CS..THydrogen-bonded Turntrans-109.9-7.8-164.7-61.2-152.4-168.9158.710115.6Y160 N219 T221 S222 E274 I278Y160-R224 WeakPolarHBondContact CD2-O 3.45Å; Y160-R224 HydrophobicContact CE2-CB 4.35Å; N219-R224 PolarHBondContact ND2-NH2 2.69Å; N219-R224 VanDerWaalsContact ND2-NH2 3.14Å; T221-R224 PolarHBondContact O-N 2.88Å; S222-R224 VanDerWaalsContact C-N 3.34Å; R224-E274 WeakPolarHBondContact CD-OE1 3.35Å; R224-E274 IonicContact CZ-OE1 3.12Å; R224-E274 IonicContact NE-OE1 3.41Å; R224-E274 IonicContact NH1-OE1 3.24Å; R224-E274 PolarHBondContact NH1-OE1 3.22Å; R224-E274 IonicContact NH1-OE2 3.85Å; R224-E274 PolarHBondContact NH1-OE2 2.78Å; R224-I278 HydrophobicContact CB-CD1 3.71Å; R224-I278 HydrophobicContact CG-CD1 4.14Å; R224-I278 WeakPolarHBondContact O-CD1 3.49Å; R224-I278 WeakPolarHBondContact O-CG1 3.44Å
225S87.3Confident74.5Confident1 Ų144.7 Ų44.71%0.00725%0.245CC..SBendtrans-132153.9179.673.20000112.2E158 R211E158-S225 WeakPolarHBondContact OE1-CB 3.37Å; E158-S225 PolarHBondContact OE1-OG 3.08Å; R211-S225 PolarHBondContact NE-OG 3.49Å; R211-S225 VanDerWaalsContact NE-OG 3.07Å; R211-S225 PolarHBondContact NH2-O 2.9Å
226H91.4Very high76.6Confident3 Ų341 Ų411%0.01422%0.217CC..EExtended strand (participates in β ladder)trans-95.2121.8172.4-47.7-82.8000109.2E158 V159 D255 L256 A257 S281 L309E158-H226 CarbonylContact C-O 3.52Å; E158-H226 WeakPolarHBondContact CA-O 3.23Å; V159-H226 HydrophobicContact CB-CB 4.21Å; V159-H226 PolarHBondContact N-O 2.61Å; V159-H226 PolarHBondContact O-N 3.03Å; H226-D255 WeakPolarHBondContact CA-O 3.19Å; H226-L256 HydrophobicContact CB-CD2 4.27Å; H226-L256 WeakPolarHBondContact ND1-CA 3.42Å; H226-L256 WeakPolarHBondContact ND1-CD2 3.46Å; H226-A257 VanDerWaalsContact CE1-CB 3.4Å; H226-A257 WeakPolarHBondContact CE1-CB 3.21Å; H226-A257 PolarHBondContact CE1-N 2.91Å; H226-A257 PolarHBondContact ND1-N 2.64Å; H226-S281 PolarHBondContact NE2-OG 2.85Å; H226-L309 HydrophobicContact CB-CD1 4.11Å
227A92.8Very high78.6Confident2 Ų240.4 Ų40.42%0.01721%0.211CC..EExtended strand (participates in β ladder)trans-97.8125.6172.700000109.5Y156 I254 D255Y156-A227 HydrophobicContact CE2-CB 3.81Å; A227-I254 WeakPolarHBondContact O-CA 3.39Å; A227-D255 HydrophobicContact CB-CB 4.47Å; A227-D255 PolarHBondContact N-O 2.81Å; A227-D255 PolarHBondContact O-N 2.98Å
228V94.9Very high80.7Confident1 Ų142.7 Ų42.71%0.00622%0.218CC..EExtended strand (participates in β ladder)trans-121101.3-177.6178.50000108L157 Q230 I254 I312L157-V228 HydrophobicContact CD1-CB 3.78Å; L157-V228 HydrophobicContact CD1-CG2 4.08Å; L157-V228 HydrophobicContact CG-CB 3.98Å; L157-V228 PolarHBondContact N-O 3.41Å; L157-V228 VanDerWaalsContact N-O 3.1Å; L157-V228 PolarHBondContact O-N 3.33Å; V228-Q230 HydrophobicContact CG1-CG 3.85Å; V228-I254 HydrophobicContact CB-CG1 4.46Å; V228-I254 HydrophobicContact CG1-CG1 4.13Å; V228-I254 HydrophobicContact CG2-CG1 4.24Å; V228-I254 HydrophobicContact CG2-CG2 4.13Å; V228-I312 HydrophobicContact CG1-CG2 4.45Å
229F95.3Very high81.8Confident0 Ų039.6 Ų39.60%021%0.21CC..EExtended strand (participates in β ladder)trans-88.7129.6172.5-171-109.5000109.4M130 M134 F154 Y156 I200 L204 I231 S252 L253M130-F229 HydrophobicContact SD-CB 4.04Å; M134-F229 HydrophobicContact CE-CE1 4.48Å; M134-F229 HydrophobicContact SD-CE1 4.12Å; F154-F229 HydrophobicContact CB-CE2 4.32Å; F154-F229 HydrophobicContact CB-CZ 3.88Å; F154-F229 AromaticContact CD2-CE2 3.64Å; F154-F229 HydrophobicContact CD2-CE2 3.64Å; F154-F229 AromaticContact CD2-CZ 3.8Å; F154-F229 HydrophobicContact CD2-CZ 3.8Å; F154-F229 HydrophobicContact CE2-CE2 4.4Å; F154-F229 HydrophobicContact CG-CE2 4.34Å; F154-F229 HydrophobicContact CG-CZ 4.08Å; Y156-F229 HydrophobicContact CD1-CD2 4.29Å; Y156-F229 HydrophobicContact CD2-CB 3.79Å; Y156-F229 AromaticContact CD2-CD2 3.78Å; Y156-F229 HydrophobicContact CD2-CD2 3.78Å; Y156-F229 HydrophobicContact CD2-CG 4.3Å; Y156-F229 HydrophobicContact CE2-CB 3.92Å; Y156-F229 HydrophobicContact CE2-CD2 4.38Å; Y156-F229 AromaticContact CG-CD2 3.72Å; Y156-F229 HydrophobicContact CG-CD2 3.72Å; Y156-F229 HydrophobicContact CG-CE2 4.5Å; I200-F229 HydrophobicContact CG2-CE1 4.06Å; I200-F229 HydrophobicContact CG2-CE2 4.43Å; I200-F229 HydrophobicContact CG2-CZ 3.51Å; L204-F229 HydrophobicContact CD2-CB 4.37Å; L204-F229 HydrophobicContact CD2-CD1 4.23Å; L204-F229 HydrophobicContact CD2-CD2 3.49Å; L204-F229 VanDerWaalsContact CD2-CD2 3.49Å; L204-F229 HydrophobicContact CD2-CE1 4.43Å; L204-F229 HydrophobicContact CD2-CE2 3.75Å; L204-F229 HydrophobicContact CD2-CG 3.77Å; L204-F229 HydrophobicContact CD2-CZ 4.24Å; L204-F229 HydrophobicContact CG-CD2 4.32Å; L204-F229 HydrophobicContact CG-CE2 4.07Å; L204-F229 HydrophobicContact CG-CZ 4.3Å; F229-I231 HydrophobicContact CD1-CD1 3.97Å; F229-I231 HydrophobicContact CD1-CG1 3.99Å; F229-I231 HydrophobicContact CE1-CD1 3.73Å; F229-I231 HydrophobicContact CE1-CG1 3.47Å; F229-I231 VanDerWaalsContact CE1-CG1 3.47Å; F229-I231 HydrophobicContact CZ-CG1 4.27Å; F229-S252 CarbonylContact O-C 3.56Å; F229-S252 WeakPolarHBondContact O-CA 3.36Å; F229-L253 HydrophobicContact CB-CB 4.45Å; F229-L253 PolarHBondContact N-O 2.95Å; F229-L253 PolarHBondContact O-N 3.08Å
230Q95.2Very high82.3Confident11 Ų1136.8 Ų36.85%0.05120%0.199CC..EExtended strand (participates in β ladder)trans-126.3138.4-178-53-172.7-44.600110.8F154 S155 V228 Y232 M251F154-Q230 CarbonylContact C-O 3.55Å; F154-Q230 WeakPolarHBondContact CA-O 3.18Å; F154-Q230 WeakPolarHBondContact CB-O 3.48Å; S155-Q230 PolarHBondContact N-O 2.82Å; S155-Q230 PolarHBondContact O-N 2.87Å; V228-Q230 HydrophobicContact CG1-CG 3.85Å; Q230-Y232 HydrophobicContact CB-CE2 3.86Å; Q230-Y232 PolarHBondContact OE1-OH 2.95Å; Q230-M251 WeakPolarHBondContact CA-O 3.48Å
231I94.8Very high82.2Confident1 Ų139.1 Ų39.11%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-126135.2-179.9-55.1136.6000107.6M134 L137 L152 A153 F229 K250 M251 L253M134-I231 HydrophobicContact CE-CD1 3.36Å; M134-I231 HydrophobicContact CE-CG1 4.46Å; M134-I231 HydrophobicContact SD-CD1 3.76Å; M134-I231 HydrophobicContact SD-CG1 4.27Å; L137-I231 HydrophobicContact CD2-CG2 4.21Å; L152-I231 HydrophobicContact CD1-CG2 3.93Å; L152-I231 HydrophobicContact CD2-CG2 3.96Å; L152-I231 HydrophobicContact CG-CG2 3.88Å; A153-I231 WeakPolarHBondContact O-CA 3.31Å; F229-I231 HydrophobicContact CD1-CD1 3.97Å; F229-I231 HydrophobicContact CD1-CG1 3.99Å; F229-I231 HydrophobicContact CE1-CD1 3.73Å; F229-I231 HydrophobicContact CE1-CG1 3.47Å; F229-I231 VanDerWaalsContact CE1-CG1 3.47Å; F229-I231 HydrophobicContact CZ-CG1 4.27Å; I231-K250 CarbonylContact O-C 3.54Å; I231-K250 WeakPolarHBondContact O-CA 3.33Å; I231-M251 HydrophobicContact CB-CB 4.25Å; I231-M251 HydrophobicContact CD1-CB 4.23Å; I231-M251 HydrophobicContact CD1-CG 4.44Å; I231-M251 HydrophobicContact CD1-SD 4.15Å; I231-M251 PolarHBondContact N-O 3.25Å; I231-M251 PolarHBondContact O-N 2.91Å; I231-L253 HydrophobicContact CD1-CD1 4.14Å
232Y94.3Very high82.2Confident69 Ų6943.8 Ų43.827%0.27123%0.233SC..EExtended strand (participates in β ladder)trans-118.8108.1179.5-61.1-92.3000107.4L152 A153 L191 Q230 K250L152-Y232 WeakPolarHBondContact CA-O 3.42Å; A153-Y232 PolarHBondContact N-O 2.87Å; A153-Y232 PolarHBondContact O-N 2.89Å; L191-Y232 HydrophobicContact CD2-CD2 3.7Å; L191-Y232 HydrophobicContact CD2-CE2 3.65Å; Q230-Y232 HydrophobicContact CB-CE2 3.86Å; Q230-Y232 PolarHBondContact OE1-OH 2.95Å; Y232-K250 HydrophobicContact CD1-CB 4.38Å; Y232-K250 HydrophobicContact CD1-CG 4.33Å; Y232-K250 HydrophobicContact CE1-CB 4.31Å; Y232-K250 HydrophobicContact CE1-CD 3.86Å; Y232-K250 HydrophobicContact CE1-CG 3.88Å
233L93.9Very high81.7Confident1 Ų144.9 Ų44.91%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-101.3110.2175.7-177.667.3000108.9V98 M99 L137 M141 F150 L152 Q235 I248 A249V98-L233 HydrophobicContact CG1-CB 4.3Å; V98-L233 HydrophobicContact CG1-CD2 3.97Å; M99-L233 HydrophobicContact SD-CD2 3.81Å; L137-L233 HydrophobicContact CD1-CD2 4.27Å; M141-L233 HydrophobicContact CE-CD1 4.5Å; M141-L233 HydrophobicContact CG-CD1 4.32Å; M141-L233 HydrophobicContact SD-CD1 3.72Å; F150-L233 HydrophobicContact CB-CD1 4.37Å; F150-L233 HydrophobicContact CD1-CD1 4.06Å; L152-L233 HydrophobicContact CB-CD1 4.37Å; L152-L233 HydrophobicContact CD1-CD1 4.33Å; L233-Q235 HydrophobicContact CD2-CG 4.16Å; L233-Q235 HydrophobicContact CG-CG 4.1Å; L233-I248 WeakPolarHBondContact O-CA 3.46Å; L233-A249 PolarHBondContact N-O 3.31Å; L233-A249 PolarHBondContact O-N 3.1Å
234R92.3Very high81.4Confident77 Ų7746 Ų4629%0.29124%0.244SC..EExtended strand (participates in β ladder)trans-90.5130.5163.5179.1-173.1-174.9-84.4-3.3108.6F150 T151 Q236 V246 C247 I248F150-R234 WeakPolarHBondContact CA-O 3.16Å; T151-R234 PolarHBondContact N-O 2.71Å; T151-R234 PolarHBondContact O-N 2.78Å; R234-Q236 VanDerWaalsContact CZ-OE1 3.28Å; R234-V246 HydrophobicContact CG-CG1 3.92Å; R234-C247 CarbonylContact C-O 3.59Å; R234-C247 VanDerWaalsContact CA-O 3.3Å; R234-C247 WeakPolarHBondContact CA-O 3.5Å; R234-I248 HydrophobicContact CG-CG1 4.41Å
235Q90.3Very high81.1Confident5 Ų546.3 Ų46.32%0.02325%0.249CC..EExtended strand (participates in β ladder)trans-118154.1170-37.1-175.9-17.400110.2M99 E149 F150 L233 C247M99-Q235 VanDerWaalsContact CA-NE2 3.35Å; M99-Q235 PolarHBondContact O-NE2 2.81Å; M99-Q235 PolarHBondContact O-OE1 3.22Å; E149-Q235 CarbonylContact O-C 3.59Å; E149-Q235 WeakPolarHBondContact O-CA 3.34Å; F150-Q235 HydrophobicContact CD1-CB 4.18Å; F150-Q235 HydrophobicContact CD1-CG 3.86Å; F150-Q235 HydrophobicContact CE1-CB 4.18Å; F150-Q235 HydrophobicContact CE1-CG 3.81Å; L233-Q235 HydrophobicContact CD2-CG 4.16Å; L233-Q235 HydrophobicContact CG-CG 4.1Å; Q235-C247 HydrophobicContact CB-CB 4.09Å; Q235-C247 HydrophobicContact CG-CB 4.38Å; Q235-C247 PolarHBondContact N-O 3.44Å; Q235-C247 PolarHBondContact O-N 3.03Å
236Q87.6Confident81Confident47 Ų4746.9 Ų46.922%0.2225%0.253CS..EExtended strand (participates in β ladder)trans-149131.7171.9-179.9177.2-30.700109.2K148 E149 R234 P244K148-Q236 WeakPolarHBondContact CA-O 3.29Å; E149-Q236 PolarHBondContact N-O 3.42Å; E149-Q236 PolarHBondContact O-N 3.36Å; R234-Q236 VanDerWaalsContact CZ-OE1 3.28Å; Q236-P244 HydrophobicContact CG-CB 4.2Å
237D85.3Confident80.7Confident55 Ų5547.5 Ų47.529%0.29426%0.257SS..EExtended strand (participates in β ladder)trans-74.1132.4179.9-53.7-44.3000110.5K148 A240K148-D237 WeakPolarHBondContact CE-OD1 3.39Å; K148-D237 IonicContact NZ-OD1 3.49Å; D237-A240 HydrophobicContact CB-CB 4.36Å
238K79.7Confident80.6Confident116 Ų11651 Ų5150%0.50428%0.275SS..SBendtrans-79.2-30.7-175.6-71.3171.2164.3179.80113.5K145 E146 E147 K148 E149 A240K145-K238 PolarHBondContact O-NZ 3.22Å; E146-K238 VanDerWaalsContact O-CD 3.26Å; E146-K238 WeakPolarHBondContact O-CD 3.43Å; E147-K238 WeakPolarHBondContact O-CB 3.47Å; E147-K238 PolarHBondContact O-N 3.06Å; K148-K238 WeakPolarHBondContact O-CE 3.42Å; E149-K238 HydrophobicContact CB-CG 4.4Å; K238-A240 VanDerWaalsContact C-N 3.31Å; K238-A240 PolarHBondContact O-N 2.93Å
239T65.3Low80.5Confident123 Ų12351 Ų5176%0.75528%0.275SS*.SBendtrans-81.6-8.1-173.3-36.50000113.3S241T239-S241 VanDerWaalsContact C-N 3.31Å; T239-S241 PolarHBondContact O-N 2.86Å
240A57.6Low80.4Confident32 Ų3252.3 Ų52.326%0.26428%0.281SS..  trans-82.465.9-171.200000113.3D237 K238 L242 N243D237-A240 HydrophobicContact CB-CB 4.36Å; K238-A240 VanDerWaalsContact C-N 3.31Å; K238-A240 PolarHBondContact O-N 2.93Å; A240-L242 PolarHBondContact O-N 2.87Å; A240-N243 WeakPolarHBondContact CB-O 3.16Å; A240-N243 PolarHBondContact O-N 3.39Å
241S54.7Low80.4Confident117 Ų11751.9 Ų51.982%0.81828%0.279SS*.THydrogen-bonded Turntrans-59.8-6.7-174.163.30000116.7T239T239-S241 VanDerWaalsContact C-N 3.31Å; T239-S241 PolarHBondContact O-N 2.86Å
242L56.9Low80.4Confident158 Ų15851.9 Ų51.983%0.82728%0.279SS*.THydrogen-bonded Turntrans-125.1-14.3179.1-78.5162.4000114A240A240-L242 PolarHBondContact O-N 2.87Å
243N56.2Low80.5Confident55 Ų5548.7 Ų48.729%0.29427%0.266SS..  trans-16289.5-176.2-113.2-51000112.5A240 N245 D364A240-N243 WeakPolarHBondContact CB-O 3.16Å; A240-N243 PolarHBondContact O-N 3.39Å; N243-N245 PolarHBondContact O-N 3Å; N243-D364 PolarHBondContact ND2-OD2 3.45Å; N243-D364 WeakPolarHBondContact OD1-CB 3.49Å; N243-D364 PolarHBondContact OD1-N 3.37Å
244P65.4Low80.5Confident39 Ų3948.6 Ų48.625%0.25327%0.266SS..  trans-69.5102.6176.6-15.428.7000111Q236 V246 L363Q236-P244 HydrophobicContact CG-CB 4.2Å; P244-V246 PolarHBondContact O-N 3.27Å; P244-L363 HydrophobicContact CB-CD1 4Å; P244-L363 HydrophobicContact CG-CD1 4.09Å
245N72.8Confident80.6Confident59 Ų5945 Ų4532%0.31625%0.253SS..EExtended strand (participates in β ladder)trans-70.8122.1166.5-74.1-37.1000108.8N243 V360 S362N243-N245 PolarHBondContact O-N 3Å; N245-V360 HydrophobicContact CB-CG1 4Å; N245-S362 WeakPolarHBondContact OD1-CA 3.32Å; N245-S362 WeakPolarHBondContact OD1-CB 3.36Å
246V83.9Confident80.8Confident14 Ų1444.8 Ų44.89%0.08525%0.251CS..EExtended strand (participates in β ladder)trans-104.8117.6178.5-179.50000108.7R234 P244 I248 V361R234-V246 HydrophobicContact CG-CG1 3.92Å; P244-V246 PolarHBondContact O-N 3.27Å; V246-I248 HydrophobicContact CG1-CD1 4.41Å; V246-I248 HydrophobicContact CG1-CG1 4.22Å; V246-V361 PolarHBondContact N-O 3.08Å; V246-V361 PolarHBondContact O-N 3.38Å
247C86.6Confident80.9Confident15 Ų1542.5 Ų42.510%0.10124%0.241CC..EExtended strand (participates in β ladder)trans-104.6133.4-176.5-164.70000110.2G101 R234 Q235G101-C247 WeakPolarHBondContact CA-SG 3.29Å; R234-C247 CarbonylContact C-O 3.59Å; R234-C247 VanDerWaalsContact CA-O 3.3Å; R234-C247 WeakPolarHBondContact CA-O 3.5Å; Q235-C247 HydrophobicContact CB-CB 4.09Å; Q235-C247 HydrophobicContact CG-CB 4.38Å; Q235-C247 PolarHBondContact N-O 3.44Å; Q235-C247 PolarHBondContact O-N 3.03Å
248I89.3Confident81.1Confident75 Ų7540 Ų4039%0.38523%0.228SC..EExtended strand (participates in β ladder)trans-133.1103.2-176-53.6179.7000111.9L233 R234 V246 N359L233-I248 WeakPolarHBondContact O-CA 3.46Å; R234-I248 HydrophobicContact CG-CG1 4.41Å; V246-I248 HydrophobicContact CG1-CD1 4.41Å; V246-I248 HydrophobicContact CG1-CG1 4.22Å; I248-N359 PolarHBondContact N-O 3.41Å; I248-N359 VanDerWaalsContact N-O 3.08Å; I248-N359 WeakPolarHBondContact O-CB 3.38Å; I248-N359 PolarHBondContact O-ND2 3.15Å
249A92.4Very high81.5Confident1 Ų135.3 Ų35.31%0.00821%0.21CC..EExtended strand (participates in β ladder)trans-100.2130.4176.300000112.2V98 L233V98-A249 HydrophobicContact CB-CB 4.45Å; V98-A249 HydrophobicContact CG1-CB 3.85Å; V98-A249 WeakPolarHBondContact O-CB 3.41Å; L233-A249 PolarHBondContact N-O 3.31Å; L233-A249 PolarHBondContact O-N 3.1Å
250K93.3Very high82.3Confident29 Ų2931.7 Ų31.713%0.12618%0.184CC..EExtended strand (participates in β ladder)trans-95.5114165.1-178.4177.666.8-176.60109.5N103 C104 I231 Y232 D315N103-K250 CarbonylContact C-O 3.5Å; N103-K250 VanDerWaalsContact CA-O 3.29Å; N103-K250 WeakPolarHBondContact CA-O 3.06Å; N103-K250 WeakPolarHBondContact OD1-CB 3.44Å; N103-K250 PolarHBondContact OD1-N 2.88Å; N103-K250 VanDerWaalsContact OD1-N 3.09Å; C104-K250 PolarHBondContact N-O 2.96Å; I231-K250 CarbonylContact O-C 3.54Å; I231-K250 WeakPolarHBondContact O-CA 3.33Å; Y232-K250 HydrophobicContact CD1-CB 4.38Å; Y232-K250 HydrophobicContact CD1-CG 4.33Å; Y232-K250 HydrophobicContact CE1-CB 4.31Å; Y232-K250 HydrophobicContact CE1-CD 3.86Å; Y232-K250 HydrophobicContact CE1-CG 3.88Å; K250-D315 IonicContact NZ-OD2 2.71Å; K250-D315 PolarHBondContact NZ-OD2 3.44Å
251M95Very high83.2Confident1 Ų137 Ų371%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-95.8140.2165.5-164.3-177.8-154.300109.3T91 V94 L95 V98 C104 T133 Q230 I231 L253T91-M251 HydrophobicContact CG2-CE 3.64Å; V94-M251 HydrophobicContact CG1-CE 3.92Å; L95-M251 HydrophobicContact CD2-CE 4.01Å; L95-M251 HydrophobicContact CD2-SD 4.1Å; L95-M251 HydrophobicContact CG-CE 4.44Å; V98-M251 HydrophobicContact CG2-CB 3.99Å; V98-M251 HydrophobicContact CG2-CE 4.25Å; V98-M251 HydrophobicContact CG2-CG 3.98Å; V98-M251 HydrophobicContact CG2-SD 4.02Å; C104-M251 HydrophobicContact CB-CG 4.22Å; C104-M251 CarbonylContact O-C 3.43Å; C104-M251 WeakPolarHBondContact O-CA 3.19Å; T133-M251 HydrophobicContact CG2-CE 3.62Å; T133-M251 HydrophobicContact CG2-SD 3.82Å; Q230-M251 WeakPolarHBondContact CA-O 3.48Å; I231-M251 HydrophobicContact CB-CB 4.25Å; I231-M251 HydrophobicContact CD1-CB 4.23Å; I231-M251 HydrophobicContact CD1-CG 4.44Å; I231-M251 HydrophobicContact CD1-SD 4.15Å; I231-M251 PolarHBondContact N-O 3.25Å; I231-M251 PolarHBondContact O-N 2.91Å; M251-L253 HydrophobicContact CE-CD2 4.14Å; M251-L253 HydrophobicContact SD-CD2 4.46Å
252S95.6Very high83.7Confident2 Ų232.2 Ų32.21%0.01417%0.165CC..EExtended strand (participates in β ladder)trans-132.2129175.1-64.90000110.8C104 T105 V106 F229C104-S252 PolarHBondContact O-N 3.32Å; T105-S252 CarbonylContact C-O 3.58Å; T105-S252 VanDerWaalsContact CA-O 3.31Å; T105-S252 WeakPolarHBondContact CA-O 3.33Å; V106-S252 PolarHBondContact N-O 3.16Å; F229-S252 CarbonylContact O-C 3.56Å; F229-S252 WeakPolarHBondContact O-CA 3.36Å
253L95.8Very high84Confident1 Ų129.6 Ų29.61%0.00516%0.16CC..EExtended strand (participates in β ladder)trans-121.2120.2-178.5-58.6177.2000108.1V106 M120 M130 T133 M134 F229 I231 M251V106-L253 HydrophobicContact CB-CD2 3.79Å; V106-L253 HydrophobicContact CG2-CD2 3.94Å; V106-L253 WeakPolarHBondContact O-CA 3.4Å; M120-L253 HydrophobicContact CE-CB 3.95Å; M130-L253 HydrophobicContact CB-CD1 4.23Å; M130-L253 HydrophobicContact CG-CB 3.89Å; M130-L253 HydrophobicContact CG-CD1 3.86Å; M130-L253 HydrophobicContact CG-CG 4.46Å; M130-L253 HydrophobicContact SD-CB 3.64Å; M130-L253 HydrophobicContact SD-CD1 4.33Å; T133-L253 HydrophobicContact CG2-CD1 4.29Å; M134-L253 HydrophobicContact CE-CD1 3.55Å; F229-L253 HydrophobicContact CB-CB 4.45Å; F229-L253 PolarHBondContact N-O 2.95Å; F229-L253 PolarHBondContact O-N 3.08Å; I231-L253 HydrophobicContact CD1-CD1 4.14Å; M251-L253 HydrophobicContact CE-CD2 4.14Å; M251-L253 HydrophobicContact SD-CD2 4.46Å
254I95.7Very high84.1Confident0 Ų030.6 Ų30.60%018%0.176CC..EExtended strand (participates in β ladder)trans-129.1125.7-162.6-56.5157000111.8T105 V106 F107 A108 A227 V228 L256 L313T105-I254 HydrophobicContact CG2-CD1 3.56Å; V106-I254 PolarHBondContact O-N 3.26Å; F107-I254 WeakPolarHBondContact CA-O 3.37Å; F107-I254 HydrophobicContact CB-CB 3.77Å; F107-I254 HydrophobicContact CB-CD1 4.07Å; F107-I254 HydrophobicContact CB-CG2 4.23Å; A108-I254 PolarHBondContact N-O 2.77Å; A227-I254 WeakPolarHBondContact O-CA 3.39Å; V228-I254 HydrophobicContact CB-CG1 4.46Å; V228-I254 HydrophobicContact CG1-CG1 4.13Å; V228-I254 HydrophobicContact CG2-CG1 4.24Å; V228-I254 HydrophobicContact CG2-CG2 4.13Å; I254-L256 HydrophobicContact CG2-CD2 3.48Å; I254-L256 VanDerWaalsContact CG2-CD2 3.48Å; I254-L256 HydrophobicContact CG2-CG 3.92Å; I254-L313 HydrophobicContact CD1-CD1 4.43Å; I254-L313 HydrophobicContact CD1-CD2 3.4Å
255D94.1Very high83.9Confident1 Ų132.1 Ų32.11%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-105.4100.1168.5-177.551.1000108.2K116 T117 M120 R211 H226 A227K116-D255 WeakPolarHBondContact CB-OD1 3.39Å; T117-D255 VanDerWaalsContact CA-OD1 3.31Å; T117-D255 WeakPolarHBondContact CA-OD1 3.3Å; T117-D255 PolarHBondContact N-OD1 3.25Å; T117-D255 VanDerWaalsContact N-OD1 3.09Å; T117-D255 PolarHBondContact OG1-OD1 3.28Å; T117-D255 PolarHBondContact OG1-OD2 3.48Å; M120-D255 HydrophobicContact CB-CB 4.36Å; M120-D255 HydrophobicContact CG-CB 4.21Å; R211-D255 IonicContact CZ-OD2 3.92Å; R211-D255 IonicContact NH1-OD2 3.25Å; R211-D255 PolarHBondContact NH1-OD2 3.33Å; R211-D255 IonicContact NH2-OD2 3.57Å; R211-D255 PolarHBondContact NH2-OD2 3.21Å; R211-D255 VanDerWaalsContact NH2-OD2 3.14Å; H226-D255 WeakPolarHBondContact CA-O 3.19Å; A227-D255 HydrophobicContact CB-CB 4.47Å; A227-D255 PolarHBondContact N-O 2.81Å; A227-D255 PolarHBondContact O-N 2.98Å
256L93Very high83.5Confident0 Ų037.3 Ų37.30%021%0.212CC..PPolyproline II helixtrans-73.9161.6-179.5-61.7176.1000111.6F107 A108 Y109 K116 H226 I254 L282 L285 L309F107-L256 HydrophobicContact CD2-CD1 3.74Å; F107-L256 HydrophobicContact CE2-CD1 4.36Å; A108-L256 WeakPolarHBondContact O-CB 3.43Å; A108-L256 WeakPolarHBondContact O-CG 3.41Å; A108-L256 PolarHBondContact O-N 3.1Å; Y109-L256 HydrophobicContact CD2-CD1 3.88Å; K116-L256 WeakPolarHBondContact CE-O 3.4Å; H226-L256 HydrophobicContact CB-CD2 4.27Å; H226-L256 WeakPolarHBondContact ND1-CA 3.42Å; H226-L256 WeakPolarHBondContact ND1-CD2 3.46Å; I254-L256 HydrophobicContact CG2-CD2 3.48Å; I254-L256 VanDerWaalsContact CG2-CD2 3.48Å; I254-L256 HydrophobicContact CG2-CG 3.92Å; L256-L282 HydrophobicContact CD1-CD2 4.42Å; L256-L285 HydrophobicContact CD1-CD2 3.87Å; L256-L309 HydrophobicContact CD2-CD1 4.1Å; L256-L309 HydrophobicContact CD2-CD2 3.99Å
257A90.3Very high82.6Confident0 Ų037.9 Ų37.90%022%0.219CC..PPolyproline II helixtrans-64.7171.7169.600000112.6K116 S223 H226 I278 L282K116-A257 VanDerWaalsContact CE-O 3.27Å; K116-A257 WeakPolarHBondContact CE-O 3.49Å; S223-A257 WeakPolarHBondContact O-CA 3.4Å; S223-A257 WeakPolarHBondContact O-CB 3.49Å; H226-A257 VanDerWaalsContact CE1-CB 3.4Å; H226-A257 WeakPolarHBondContact CE1-CB 3.21Å; H226-A257 PolarHBondContact CE1-N 2.91Å; H226-A257 PolarHBondContact ND1-N 2.64Å; A257-I278 HydrophobicContact CB-CG2 3.89Å; A257-L282 HydrophobicContact CB-CD1 4.47Å
258G88.9Confident82.1Confident2 Ų245.9 Ų45.92%0.02125%0.252CS..PPolyproline II helixtrans-58.5130.2172.900000113.6S223 E260 L282S223-G258 PolarHBondContact O-N 2.82Å; G258-E260 VanDerWaalsContact C-N 3.3Å; G258-E260 WeakPolarHBondContact CA-OE2 3.35Å; G258-L282 WeakPolarHBondContact O-CD1 3.29Å
259S88.3Confident81.6Confident17 Ų1744.9 Ų44.912%0.11926%0.26CS..  trans-84.30.1175.969.30000114.4G110 A111G110-S259 WeakPolarHBondContact CA-OG 3.37Å; G110-S259 PolarHBondContact O-N 2.89Å; G110-S259 VanDerWaalsContact O-N 3.15Å; G110-S259 PolarHBondContact O-OG 3.25Å; A111-S259 PolarHBondContact N-OG 3.38Å
260E83.6Confident80.6Confident48 Ų4848.7 Ų48.722%0.22429%0.291CS..SBendtrans-66146.817463.6-80.2-17500112.3A111 T112 G258A111-E260 WeakPolarHBondContact CA-OE2 3.21Å; T112-E260 WeakPolarHBondContact CB-OE1 3.33Å; T112-E260 PolarHBondContact N-OE2 3.39Å; T112-E260 PolarHBondContact OG1-OE1 3.2Å; T112-E260 PolarHBondContact OG1-OE2 3.12Å; G258-E260 VanDerWaalsContact C-N 3.3Å; G258-E260 WeakPolarHBondContact CA-OE2 3.35Å
261R75.3Confident79.6Confident142 Ų14252 Ų5254%0.53630%0.303SS..  trans-76.2134.4-174.4-58-178.2-174.4-169.61.5110.8S263 A264R261-S263 PolarHBondContact O-N 3.18Å; R261-A264 WeakPolarHBondContact O-CB 3.46Å; R261-A264 PolarHBondContact O-N 3.06Å
262A66Low78.8Confident18 Ų1856.1 Ų56.115%0.14933%0.325CS..G310 helixtrans-53.4-28.8174.400000113.7A264 T265 N279A262-A264 PolarHBondContact O-N 2.81Å; A262-T265 PolarHBondContact O-N 3.49Å; A262-T265 PolarHBondContact O-OG1 3.31Å; A262-N279 PolarHBondContact N-ND2 3.06Å
263S62.9Low78Confident102 Ų10265.3 Ų65.371%0.71336%0.359SS*.G310 helixtrans-66.7-14.8175.561.60000114.9R261 T265R261-S263 PolarHBondContact O-N 3.18Å; S263-T265 VanDerWaalsContact C-N 3.27Å
264A58.4Low77.1Confident76 Ų7666.1 Ų66.163%0.62836%0.363SS*.G310 helixtrans-80.2-10.8170.200000112.3R261 A262R261-A264 WeakPolarHBondContact O-CB 3.46Å; R261-A264 PolarHBondContact O-N 3.06Å; A262-A264 PolarHBondContact O-N 2.81Å
265T62Low76.2Confident72 Ų7266.8 Ų66.844%0.44237%0.37SS..SBendtrans-98.6129.5175.174.60000109.9A262 S263 A267A262-T265 PolarHBondContact O-N 3.49Å; A262-T265 PolarHBondContact O-OG1 3.31Å; S263-T265 VanDerWaalsContact C-N 3.27Å; T265-A267 PolarHBondContact O-N 3.18Å
266N63.5Low75.5Confident167 Ų16769.1 Ų69.189%0.89339%0.389SS*.  trans-75.532.3175.4-74-34.8000112.8
267A65.4Low75Confident27 Ų2771.4 Ų71.422%0.22340%0.401CS..  trans-77.8136.8-174.400000111.9T265 R271T265-A267 PolarHBondContact O-N 3.18Å; A267-R271 HydrophobicContact CB-CB 3.92Å
268K74.4Confident74.4Confident183 Ų18372 Ų7280%0.79641%0.405SS*.  trans-119.3160.8178.5-65.1-178.9-178.9177.50111.1A270K268-A270 PolarHBondContact O-N 3.22Å
269G80.2Confident74.2Confident54 Ų5474 Ų7456%0.55742%0.415SS*.THydrogen-bonded Turntrans62.9-129.8173.400000113.8R271 L272 R273G269-R271 VanDerWaalsContact C-N 3.32Å; G269-R271 PolarHBondContact O-N 3.27Å; G269-L272 PolarHBondContact O-N 3.07Å; G269-R273 PolarHBondContact O-N 3.48Å
270A71.4Confident74.2Confident80 Ų8078.6 Ų78.666%0.66143%0.429SS*.Hα-helixtrans-58.1-40.2-175.800000113.3K268 L272 R273 E274K268-A270 PolarHBondContact O-N 3.22Å; A270-L272 VanDerWaalsContact C-N 3.27Å; A270-L272 PolarHBondContact O-N 3.02Å; A270-R273 WeakPolarHBondContact O-CB 3.44Å; A270-R273 PolarHBondContact O-N 2.9Å; A270-E274 PolarHBondContact O-N 3.47Å
271R72.6Confident74.6Confident99 Ų9976.4 Ų76.437%0.37442%0.419SS..Hα-helixtrans-64.5-28.7179.8-64.6179.4-171.1159.76.4113D217 A267 G269 G275D217-R271 VanDerWaalsContact CG-NH1 3.27Å; D217-R271 IonicContact OD1-CZ 3.21Å; D217-R271 VanDerWaalsContact OD1-CZ 3.24Å; D217-R271 IonicContact OD1-NH1 2.59Å; D217-R271 PolarHBondContact OD1-NH1 2.84Å; D217-R271 IonicContact OD1-NH2 2.72Å; D217-R271 PolarHBondContact OD1-NH2 3.47Å; D217-R271 IonicContact OD2-CZ 2.68Å; D217-R271 IonicContact OD2-NE 2.61Å; D217-R271 IonicContact OD2-NH1 3.83Å; D217-R271 PolarHBondContact OD2-NH1 3.25Å; D217-R271 IonicContact OD2-NH2 2.81Å; D217-R271 PolarHBondContact OD2-NH2 3.33Å; A267-R271 HydrophobicContact CB-CB 3.92Å; G269-R271 VanDerWaalsContact C-N 3.32Å; G269-R271 PolarHBondContact O-N 3.27Å; R271-G275 PolarHBondContact O-N 3.44Å
272L77.2Confident75.3Confident88 Ų8870.1 Ų70.146%0.46140%0.396SS..Hα-helixtrans-71.5-37.3173.5-175.161.8000111.4G269 A270 A276G269-L272 PolarHBondContact O-N 3.07Å; A270-L272 VanDerWaalsContact C-N 3.27Å; A270-L272 PolarHBondContact O-N 3.02Å; L272-A276 VanDerWaalsContact O-CB 3.23Å; L272-A276 WeakPolarHBondContact O-CB 3.47Å; L272-A276 PolarHBondContact O-N 2.73Å
273R78.8Confident76.5Confident195 Ų19574.6 Ų74.674%0.73642%0.417SS*.Hα-helixtrans-68.4-41.1174.3-62.8179.8177.9168.3-1.1111.6G269 A270 A276 N277G269-R273 PolarHBondContact O-N 3.48Å; A270-R273 WeakPolarHBondContact O-CB 3.44Å; A270-R273 PolarHBondContact O-N 2.9Å; R273-A276 PolarHBondContact O-N 3.01Å; R273-N277 PolarHBondContact O-N 3.44Å
274E76.4Confident77.9Confident18 Ų1869.9 Ų69.98%0.08438%0.384CS..Hα-helixtrans-57.9-57.2172.3-175.5-157.8147.700110.9Y160 R224 A270 A276 N277 I278Y160-E274 HydrophobicContact CE2-CG 4.26Å; Y160-E274 PolarHBondContact OH-OE1 3.1Å; R224-E274 WeakPolarHBondContact CD-OE1 3.35Å; R224-E274 IonicContact CZ-OE1 3.12Å; R224-E274 IonicContact NE-OE1 3.41Å; R224-E274 IonicContact NH1-OE1 3.24Å; R224-E274 PolarHBondContact NH1-OE1 3.22Å; R224-E274 IonicContact NH1-OE2 3.85Å; R224-E274 PolarHBondContact NH1-OE2 2.78Å; A270-E274 PolarHBondContact O-N 3.47Å; E274-A276 VanDerWaalsContact C-N 3.27Å; E274-A276 PolarHBondContact O-N 3.11Å; E274-N277 PolarHBondContact O-N 2.91Å; E274-I278 HydrophobicContact CG-CD1 4.03Å; E274-I278 WeakPolarHBondContact O-CG1 3.32Å; E274-I278 PolarHBondContact O-N 2.87Å
275G76.9Confident79.6Confident14 Ų1466.2 Ų66.214%0.14435%0.354CS..Hα-helixtrans-58.1-35.4177.700000113.7R271 N279R271-G275 PolarHBondContact O-N 3.44Å; G275-N279 WeakPolarHBondContact O-CB 3.32Å; G275-N279 PolarHBondContact O-N 3.23Å; G275-N279 PolarHBondContact O-ND2 3.04Å
276A80.3Confident81Confident50 Ų5063.1 Ų63.141%0.41334%0.337SS..Hα-helixtrans-67.7-40.8173.200000112.9L272 R273 E274 N279 R280L272-A276 VanDerWaalsContact O-CB 3.23Å; L272-A276 WeakPolarHBondContact O-CB 3.47Å; L272-A276 PolarHBondContact O-N 2.73Å; R273-A276 PolarHBondContact O-N 3.01Å; E274-A276 VanDerWaalsContact C-N 3.27Å; E274-A276 PolarHBondContact O-N 3.11Å; A276-N279 CarbonylContact O-C 3.55Å; A276-N279 PolarHBondContact O-N 3.19Å; A276-R280 PolarHBondContact O-N 2.79Å
277N81.8Confident82.5Confident48 Ų4858.3 Ų58.326%0.25731%0.311SS..Hα-helixtrans-71.8-34.6176.8-76.7-24.6000112.6N161 R273 E274 R280 S281N161-N277 WeakPolarHBondContact OD1-CB 3.44Å; N161-N277 PolarHBondContact OD1-ND2 3.17Å; R273-N277 PolarHBondContact O-N 3.44Å; E274-N277 PolarHBondContact O-N 2.91Å; N277-R280 WeakPolarHBondContact O-CB 3.45Å; N277-R280 PolarHBondContact O-N 3.47Å; N277-S281 PolarHBondContact O-N 3.09Å
278I79Confident83.8Confident13 Ų1357 Ų577%0.06730%0.3CS..Hα-helixtrans-60.8-51.8169.3-63.1164.2000109Y160 R224 A257 E274 R280 S281Y160-I278 HydrophobicContact CE2-CD1 4.45Å; R224-I278 HydrophobicContact CB-CD1 3.71Å; R224-I278 HydrophobicContact CG-CD1 4.14Å; R224-I278 WeakPolarHBondContact O-CD1 3.49Å; R224-I278 WeakPolarHBondContact O-CG1 3.44Å; A257-I278 HydrophobicContact CB-CG2 3.89Å; E274-I278 HydrophobicContact CG-CD1 4.03Å; E274-I278 WeakPolarHBondContact O-CG1 3.32Å; E274-I278 PolarHBondContact O-N 2.87Å; I278-R280 VanDerWaalsContact C-N 3.29Å; I278-R280 PolarHBondContact O-N 3.08Å; I278-S281 PolarHBondContact O-N 3.4Å; I278-S281 PolarHBondContact O-OG 3.43Å
279N83.6Confident84.7Confident43 Ų4348.4 Ų48.423%0.2326%0.263CS..Hα-helixtrans-62.1-31.9177.1-87.8-100.4000112.9A262 G275 A276 S281 L282 L283A262-N279 PolarHBondContact N-ND2 3.06Å; G275-N279 WeakPolarHBondContact O-CB 3.32Å; G275-N279 PolarHBondContact O-N 3.23Å; G275-N279 PolarHBondContact O-ND2 3.04Å; A276-N279 CarbonylContact O-C 3.55Å; A276-N279 PolarHBondContact O-N 3.19Å; N279-S281 VanDerWaalsContact C-N 3.29Å; N279-S281 PolarHBondContact O-N 3.38Å; N279-L282 PolarHBondContact O-N 3.17Å; N279-L283 WeakPolarHBondContact O-CB 3.5Å; N279-L283 PolarHBondContact O-N 3.44Å
280R88.9Confident85.2Confident113 Ų11348.5 Ų48.543%0.42625%0.251SS..Hα-helixtrans-55.8-43.7175.8-168.917791.7-161.58.8111.8E162 A276 N277 I278 A284E162-R280 IonicContact OE2-CZ 3.49Å; E162-R280 IonicContact OE2-NE 3.85Å; E162-R280 IonicContact OE2-NH2 2.75Å; E162-R280 PolarHBondContact OE2-NH2 3.18Å; A276-R280 PolarHBondContact O-N 2.79Å; N277-R280 WeakPolarHBondContact O-CB 3.45Å; N277-R280 PolarHBondContact O-N 3.47Å; I278-R280 VanDerWaalsContact C-N 3.29Å; I278-R280 PolarHBondContact O-N 3.08Å; R280-A284 VanDerWaalsContact O-CB 3.28Å; R280-A284 WeakPolarHBondContact O-CB 3.41Å; R280-A284 PolarHBondContact O-N 3.39Å
281S91.2Very high86.2Confident2 Ų245.6 Ų45.61%0.01423%0.227CC..Hα-helixtrans-66.5-38.218065.70000113.5H226 N277 I278 N279 L285H226-S281 PolarHBondContact NE2-OG 2.85Å; N277-S281 PolarHBondContact O-N 3.09Å; I278-S281 PolarHBondContact O-N 3.4Å; I278-S281 PolarHBondContact O-OG 3.43Å; N279-S281 VanDerWaalsContact C-N 3.29Å; N279-S281 PolarHBondContact O-N 3.38Å; S281-L285 WeakPolarHBondContact O-CB 3.29Å; S281-L285 PolarHBondContact O-N 2.89Å; S281-L285 VanDerWaalsContact O-N 3.09Å
282L90.2Very high87Confident11 Ų1142.6 Ų42.66%0.05822%0.218CC..Hα-helixtrans-80.7-29.9177.3-68.6179.7000113.4Y109 L256 A257 G258 N279 L285 G286 L309Y109-L282 HydrophobicContact CE2-CD2 4.25Å; L256-L282 HydrophobicContact CD1-CD2 4.42Å; A257-L282 HydrophobicContact CB-CD1 4.47Å; G258-L282 WeakPolarHBondContact O-CD1 3.29Å; N279-L282 PolarHBondContact O-N 3.17Å; L282-L285 HydrophobicContact CD2-CD2 4.03Å; L282-L285 WeakPolarHBondContact O-CB 3.1Å; L282-L285 PolarHBondContact O-N 2.96Å; L282-G286 PolarHBondContact O-N 2.99Å; L282-L309 HydrophobicContact CD2-CD2 4.46Å
283L91.1Very high87.6Confident112 Ų11239.3 Ų39.359%0.58620%0.203SC*.Hα-helixtrans-66.8-46171.4179.961.1000110.6N279 L285 G286 N287N279-L283 WeakPolarHBondContact O-CB 3.5Å; N279-L283 PolarHBondContact O-N 3.44Å; L283-L285 VanDerWaalsContact C-N 3.32Å; L283-L285 PolarHBondContact O-N 2.91Å; L283-G286 CarbonylContact O-C 3.59Å; L283-G286 WeakPolarHBondContact O-CA 3.22Å; L283-G286 PolarHBondContact O-N 3.24Å; L283-G286 VanDerWaalsContact O-N 3.13Å; L283-N287 VanDerWaalsContact O-CG 3.29Å; L283-N287 PolarHBondContact O-N 3.05Å; L283-N287 PolarHBondContact O-OD1 3.46Å
284A93.4Very high87.9Confident2 Ų233.3 Ų33.32%0.01719%0.186CC..Hα-helixtrans-58-44.9171.800000111.3R280 G286 N287 V288 D306 T310R280-A284 VanDerWaalsContact O-CB 3.28Å; R280-A284 WeakPolarHBondContact O-CB 3.41Å; R280-A284 PolarHBondContact O-N 3.39Å; A284-G286 VanDerWaalsContact C-N 3.28Å; A284-G286 PolarHBondContact O-N 3.24Å; A284-N287 PolarHBondContact O-N 3.5Å; A284-V288 WeakPolarHBondContact O-CG2 3.39Å; A284-V288 PolarHBondContact O-N 2.99Å; A284-D306 HydrophobicContact CB-CB 3.79Å; A284-T310 HydrophobicContact CB-CG2 3.9Å
285L93.7Very high87.7Confident0 Ų037 Ų370%021%0.211CC..Hα-helixtrans-58.3-41.5174.8-165.871.4000111.5L256 S281 L282 L283 V288 I289 L309 T310 L313 L317 Y345L256-L285 HydrophobicContact CD1-CD2 3.87Å; S281-L285 WeakPolarHBondContact O-CB 3.29Å; S281-L285 PolarHBondContact O-N 2.89Å; S281-L285 VanDerWaalsContact O-N 3.09Å; L282-L285 HydrophobicContact CD2-CD2 4.03Å; L282-L285 WeakPolarHBondContact O-CB 3.1Å; L282-L285 PolarHBondContact O-N 2.96Å; L283-L285 VanDerWaalsContact C-N 3.32Å; L283-L285 PolarHBondContact O-N 2.91Å; L285-V288 PolarHBondContact O-N 2.97Å; L285-I289 HydrophobicContact CG-CD1 4.33Å; L285-I289 WeakPolarHBondContact O-CB 3.44Å; L285-I289 WeakPolarHBondContact O-CG1 3.48Å; L285-I289 PolarHBondContact O-N 3.42Å; L285-L309 HydrophobicContact CD2-CD2 4.42Å; L285-T310 HydrophobicContact CB-CG2 4.12Å; L285-T310 HydrophobicContact CD1-CG2 4.05Å; L285-L313 HydrophobicContact CD1-CD1 3.95Å; L285-L317 HydrophobicContact CD1-CD1 3.59Å; L285-Y345 VanDerWaalsContact C-OH 3.26Å; L285-Y345 WeakPolarHBondContact CB-OH 3.42Å; L285-Y345 WeakPolarHBondContact CG-OH 3.22Å
286G92Very high87.6Confident7 Ų745.1 Ų45.17%0.07224%0.243CC..Hα-helixtrans-65.2-41.4174.700000113.4L282 L283 A284 I289 N290 Y345L282-G286 PolarHBondContact O-N 2.99Å; L283-G286 CarbonylContact O-C 3.59Å; L283-G286 WeakPolarHBondContact O-CA 3.22Å; L283-G286 PolarHBondContact O-N 3.24Å; L283-G286 VanDerWaalsContact O-N 3.13Å; A284-G286 VanDerWaalsContact C-N 3.28Å; A284-G286 PolarHBondContact O-N 3.24Å; G286-I289 PolarHBondContact O-N 3.3Å; G286-N290 WeakPolarHBondContact O-CB 3.43Å; G286-N290 PolarHBondContact O-N 3.48Å; G286-N290 PolarHBondContact O-ND2 3.5Å; G286-Y345 VanDerWaalsContact CA-CE2 3.46Å; G286-Y345 WeakPolarHBondContact CA-OH 3.34Å; G286-Y345 PolarHBondContact N-OH 2.7Å; G286-Y345 VanDerWaalsContact N-OH 3.07Å
287N93.3Very high86.9Confident65 Ų6543.9 Ų43.935%0.34823%0.231SC..Hα-helixtrans-64.3-42.8176.4-68.2-11000111.4L283 A284 N290 A291 P303L283-N287 VanDerWaalsContact O-CG 3.29Å; L283-N287 PolarHBondContact O-N 3.05Å; L283-N287 PolarHBondContact O-OD1 3.46Å; A284-N287 PolarHBondContact O-N 3.5Å; N287-N290 PolarHBondContact O-N 2.85Å; N287-A291 VanDerWaalsContact O-CB 3.28Å; N287-A291 WeakPolarHBondContact O-CB 3.4Å; N287-A291 PolarHBondContact O-N 2.95Å; N287-P303 HydrophobicContact CB-CG 3.97Å
288V93.8Very high85.9Confident1 Ų149.8 Ų49.81%0.00625%0.254CS..Hα-helixtrans-60.6-47.6172.9167.90000111.2A284 L285 A291 L292 I302 P303 Y304 T310 L317A284-V288 WeakPolarHBondContact O-CG2 3.39Å; A284-V288 PolarHBondContact O-N 2.99Å; L285-V288 PolarHBondContact O-N 2.97Å; V288-A291 PolarHBondContact O-N 3.41Å; V288-L292 HydrophobicContact CG1-CD1 3.72Å; V288-L292 HydrophobicContact CG1-CG 4.49Å; V288-L292 WeakPolarHBondContact O-CB 3.34Å; V288-L292 WeakPolarHBondContact O-CG 3.45Å; V288-L292 PolarHBondContact O-N 3.49Å; V288-I302 HydrophobicContact CB-CG2 4.37Å; V288-I302 HydrophobicContact CG1-CG2 4.01Å; V288-I302 HydrophobicContact CG2-CG2 4.17Å; V288-P303 HydrophobicContact CG2-CG 4.22Å; V288-Y304 HydrophobicContact CG1-CD1 3.92Å; V288-Y304 HydrophobicContact CG1-CE1 3.59Å; V288-Y304 HydrophobicContact CG2-CD1 4.11Å; V288-Y304 HydrophobicContact CG2-CG 4.46Å; V288-T310 HydrophobicContact CG2-CG2 3.95Å; V288-L317 HydrophobicContact CG1-CB 4.41Å; V288-L317 HydrophobicContact CG1-CD1 4.2Å
289I92.6Very high85Confident1 Ų159.3 Ų59.31%0.00530%0.295CS..Hα-helixtrans-63.7-42.4178.9-77.6172.7000111.7L285 G286 L292 A293 L317 Y345 R348 A349 I352L285-I289 HydrophobicContact CG-CD1 4.33Å; L285-I289 WeakPolarHBondContact O-CB 3.44Å; L285-I289 WeakPolarHBondContact O-CG1 3.48Å; L285-I289 PolarHBondContact O-N 3.42Å; G286-I289 PolarHBondContact O-N 3.3Å; I289-L292 PolarHBondContact O-N 3.35Å; I289-A293 WeakPolarHBondContact O-CB 3.26Å; I289-A293 PolarHBondContact O-N 3.19Å; I289-L317 HydrophobicContact CG1-CD1 4.32Å; I289-Y345 HydrophobicContact CD1-CD1 4.3Å; I289-Y345 HydrophobicContact CD1-CE1 3.43Å; I289-Y345 VanDerWaalsContact CD1-CE1 3.43Å; I289-R348 HydrophobicContact CG2-CB 4.18Å; I289-A349 HydrophobicContact CG2-CB 4.39Å; I289-I352 HydrophobicContact CB-CD1 4.08Å; I289-I352 HydrophobicContact CG1-CD1 3.73Å; I289-I352 HydrophobicContact CG2-CD1 4.07Å
290N91.6Very high84.7Confident57 Ų5760 Ų6031%0.30531%0.306SS..Hα-helixtrans-63.1-42.9175.4-66-32.4000111.8G286 N287 L292 A293 D294 R348G286-N290 WeakPolarHBondContact O-CB 3.43Å; G286-N290 PolarHBondContact O-N 3.48Å; G286-N290 PolarHBondContact O-ND2 3.5Å; N287-N290 PolarHBondContact O-N 2.85Å; N290-L292 VanDerWaalsContact C-N 3.34Å; N290-A293 PolarHBondContact O-N 2.93Å; N290-D294 PolarHBondContact O-N 3.34Å; N290-R348 WeakPolarHBondContact OD1-CD 3.42Å; N290-R348 PolarHBondContact OD1-NH1 2.81Å
291A91.9Very high84.6Confident19 Ų1962 Ų6216%0.15732%0.32CS..Hα-helixtrans-71.1-25.9179.500000113.6N287 V288 S297 I302N287-A291 VanDerWaalsContact O-CB 3.28Å; N287-A291 WeakPolarHBondContact O-CB 3.4Å; N287-A291 PolarHBondContact O-N 2.95Å; V288-A291 PolarHBondContact O-N 3.41Å; A291-S297 VanDerWaalsContact O-CB 3.27Å; A291-S297 WeakPolarHBondContact O-CB 2.99Å; A291-S297 PolarHBondContact O-OG 2.9Å; A291-I302 HydrophobicContact CB-CG2 4.5Å
292L90.5Very high84.6Confident35 Ų3564.1 Ų64.118%0.18333%0.331CS..Hα-helixtrans-82.8-31.4173.3-75.7167.7000113.1V288 I289 N290 I302 L317 I352V288-L292 HydrophobicContact CG1-CD1 3.72Å; V288-L292 HydrophobicContact CG1-CG 4.49Å; V288-L292 WeakPolarHBondContact O-CB 3.34Å; V288-L292 WeakPolarHBondContact O-CG 3.45Å; V288-L292 PolarHBondContact O-N 3.49Å; I289-L292 PolarHBondContact O-N 3.35Å; N290-L292 VanDerWaalsContact C-N 3.34Å; L292-I302 HydrophobicContact CD2-CD1 3.67Å; L292-I302 HydrophobicContact CG-CD1 4.38Å; L292-I302 HydrophobicContact CG-CG2 4.38Å; L292-L317 HydrophobicContact CD1-CB 3.82Å; L292-L317 WeakPolarHBondContact CD1-O 3.4Å; L292-I352 HydrophobicContact CB-CB 4.45Å; L292-I352 HydrophobicContact CB-CD1 3.9Å; L292-I352 HydrophobicContact CB-CG1 3.75Å; L292-I352 HydrophobicContact CB-CG2 4.08Å; L292-I352 HydrophobicContact CD1-CD1 4.15Å; L292-I352 HydrophobicContact CD1-CG2 4.1Å
293A88.6Confident84.7Confident19 Ų1964.6 Ų64.616%0.15734%0.335CS..Hα-helixtrans-79.5-29.7-177.900000113.6I289 N290 P295 R348 E351 I352I289-A293 WeakPolarHBondContact O-CB 3.26Å; I289-A293 PolarHBondContact O-N 3.19Å; N290-A293 PolarHBondContact O-N 2.93Å; A293-P295 VanDerWaalsContact O-CD 3.29Å; A293-P295 WeakPolarHBondContact O-CD 3.41Å; A293-R348 HydrophobicContact CB-CB 4.32Å; A293-R348 WeakPolarHBondContact CB-O 3.49Å; A293-E351 HydrophobicContact CB-CB 4.14Å; A293-I352 HydrophobicContact CB-CG1 4.48Å
294D85.3Confident84.8Confident70 Ų7060.7 Ų60.737%0.37431%0.313SS..  trans-76114.4176.6-178.8-2.2000111.1N290 K296 S297N290-D294 PolarHBondContact O-N 3.34Å; D294-K296 PolarHBondContact O-N 2.93Å; D294-K296 VanDerWaalsContact O-N 3.13Å; D294-K296 VanDerWaalsContact OD1-CB 3.26Å; D294-K296 WeakPolarHBondContact OD1-CB 3.44Å; D294-K296 WeakPolarHBondContact OD1-CG 3.36Å; D294-K296 PolarHBondContact OD1-N 2.68Å; D294-S297 VanDerWaalsContact O-CB 3.31Å; D294-S297 WeakPolarHBondContact O-CB 3.34Å; D294-S297 PolarHBondContact O-N 3.19Å
295P72.8Confident84.7Confident94 Ų9468.7 Ų68.761%0.6134%0.342SS*.G310 helixtrans-63.9-18.9179.527.9-36.2000113.8A293 S297 K298A293-P295 VanDerWaalsContact O-CD 3.29Å; A293-P295 WeakPolarHBondContact O-CD 3.41Å; P295-S297 VanDerWaalsContact C-N 3.35Å; P295-K298 WeakPolarHBondContact O-CG 3.3Å
296K73.3Confident84.7Confident186 Ų18672.4 Ų72.481%0.80936%0.362SS*.G310 helixtrans-75.1-27.1173.5-56.8174.1-178.8177.70111.8D294 K298D294-K296 PolarHBondContact O-N 2.93Å; D294-K296 VanDerWaalsContact O-N 3.13Å; D294-K296 VanDerWaalsContact OD1-CB 3.26Å; D294-K296 WeakPolarHBondContact OD1-CB 3.44Å; D294-K296 WeakPolarHBondContact OD1-CG 3.36Å; D294-K296 PolarHBondContact OD1-N 2.68Å; K296-K298 PolarHBondContact O-N 2.99Å
297S66.4Low84.8Confident24 Ų2472.2 Ų72.217%0.16836%0.359CS..G310 helixtrans-78.80.2-174.7-1580000113.7A291 D294 P295 K299 A300A291-S297 VanDerWaalsContact O-CB 3.27Å; A291-S297 WeakPolarHBondContact O-CB 2.99Å; A291-S297 PolarHBondContact O-OG 2.9Å; D294-S297 VanDerWaalsContact O-CB 3.31Å; D294-S297 WeakPolarHBondContact O-CB 3.34Å; D294-S297 PolarHBondContact O-N 3.19Å; P295-S297 VanDerWaalsContact C-N 3.35Å; S297-K299 PolarHBondContact O-N 3.48Å; S297-A300 WeakPolarHBondContact O-CB 3.3Å; S297-A300 PolarHBondContact O-N 2.67Å
298K61.3Low84.8Confident171 Ų17171.9 Ų71.974%0.74336%0.355SS*.G310 helixtrans-57.7-13.3177.7-70.3-179.4-179.4-179.30116.1P295 K296P295-K298 WeakPolarHBondContact O-CG 3.3Å; K296-K298 PolarHBondContact O-N 2.99Å
299K59.3Low84.8Confident214 Ų21471.9 Ų71.993%0.9336%0.355SS*.G310 helixtrans-107.9-3.3172.4-69.8-172.2176.7-176.60113.7S297S297-K299 PolarHBondContact O-N 3.48Å
300A78.1Confident84.9Confident56 Ų5671.9 Ų71.946%0.46336%0.355SS..SBendtrans-88.1157.3-178.400000111.8S297 I302S297-A300 WeakPolarHBondContact O-CB 3.3Å; S297-A300 PolarHBondContact O-N 2.67Å; A300-I302 PolarHBondContact O-N 3.1Å
301H87Confident85Confident156 Ų15671.5 Ų71.572%0.72235%0.349SS*.  trans-74.1115.8176.1169.7-85.7000110.9
302I90.8Very high85.1Confident46 Ų4671 Ų7124%0.23634%0.344CS..  trans-78.4122.3177.3-55.9157.4000109.5V288 A291 L292 A300 Y304V288-I302 HydrophobicContact CB-CG2 4.37Å; V288-I302 HydrophobicContact CG1-CG2 4.01Å; V288-I302 HydrophobicContact CG2-CG2 4.17Å; A291-I302 HydrophobicContact CB-CG2 4.5Å; L292-I302 HydrophobicContact CD2-CD1 3.67Å; L292-I302 HydrophobicContact CG-CD1 4.38Å; L292-I302 HydrophobicContact CG-CG2 4.38Å; A300-I302 PolarHBondContact O-N 3.1Å; I302-Y304 HydrophobicContact CB-CD2 3.92Å; I302-Y304 HydrophobicContact CB-CE2 3.55Å; I302-Y304 HydrophobicContact CD1-CE2 4.05Å; I302-Y304 HydrophobicContact CG1-CE2 4.43Å; I302-Y304 HydrophobicContact CG2-CD1 4.49Å; I302-Y304 HydrophobicContact CG2-CD2 3.71Å; I302-Y304 HydrophobicContact CG2-CE1 4.17Å; I302-Y304 HydrophobicContact CG2-CE2 3.32Å; I302-Y304 HydrophobicContact CG2-CG 4.29Å; I302-Y304 WeakPolarHBondContact O-CD2 3.5Å; I302-Y304 PolarHBondContact O-N 3Å
303P92.7Very high85.2Confident21 Ų2169.7 Ų69.714%0.13634%0.337CS..  trans-8152.4-167.233.7-37.8000114.2N287 V288 R305 D306N287-P303 HydrophobicContact CB-CG 3.97Å; V288-P303 HydrophobicContact CG2-CG 4.22Å; P303-R305 PolarHBondContact O-N 3.17Å; P303-R305 VanDerWaalsContact O-N 3.1Å; P303-D306 PolarHBondContact O-N 3.45Å
304Y92.4Very high85.3Confident31 Ų3172.6 Ų72.612%0.12235%0.346CS..G310 helixtrans-59.9-23.5179.2-65.3-78.5000113.6V288 I302 T310 R311 K314 L317V288-Y304 HydrophobicContact CG1-CD1 3.92Å; V288-Y304 HydrophobicContact CG1-CE1 3.59Å; V288-Y304 HydrophobicContact CG2-CD1 4.11Å; V288-Y304 HydrophobicContact CG2-CG 4.46Å; I302-Y304 HydrophobicContact CB-CD2 3.92Å; I302-Y304 HydrophobicContact CB-CE2 3.55Å; I302-Y304 HydrophobicContact CD1-CE2 4.05Å; I302-Y304 HydrophobicContact CG1-CE2 4.43Å; I302-Y304 HydrophobicContact CG2-CD1 4.49Å; I302-Y304 HydrophobicContact CG2-CD2 3.71Å; I302-Y304 HydrophobicContact CG2-CE1 4.17Å; I302-Y304 HydrophobicContact CG2-CE2 3.32Å; I302-Y304 HydrophobicContact CG2-CG 4.29Å; I302-Y304 WeakPolarHBondContact O-CD2 3.5Å; I302-Y304 PolarHBondContact O-N 3Å; Y304-T310 CarbonylContact O-C 3.39Å; Y304-T310 VanDerWaalsContact O-C 3.29Å; Y304-T310 VanDerWaalsContact O-CB 3.28Å; Y304-T310 WeakPolarHBondContact O-CB 2.86Å; Y304-T310 PolarHBondContact O-OG1 2.85Å; Y304-R311 WeakPolarHBondContact O-CG 3.47Å; Y304-R311 PolarHBondContact O-N 3.44Å; Y304-R311 VanDerWaalsContact O-N 3.15Å; Y304-K314 HydrophobicContact CD1-CB 3.94Å; Y304-K314 HydrophobicContact CD1-CG 3.93Å; Y304-K314 HydrophobicContact CD2-CG 4.11Å; Y304-K314 HydrophobicContact CE1-CB 4.29Å; Y304-K314 HydrophobicContact CE1-CG 4.11Å; Y304-K314 HydrophobicContact CE2-CG 4.27Å; Y304-K314 HydrophobicContact CG-CB 4.28Å; Y304-K314 HydrophobicContact CG-CG 3.92Å; Y304-L317 PolarHBondContact OH-O 2.85Å
305R92.6Very high85.5Confident169 Ų16970.9 Ų70.964%0.63834%0.337SS*.G310 helixtrans-83.2-10.2-174.1-72.6-175.5171.6172.11.4114.9E178 P303 S307 R311E178-R305 IonicContact OE1-NE 3.93Å; E178-R305 IonicContact OE1-NH2 2.9Å; E178-R305 IonicContact OE2-CZ 3.28Å; E178-R305 IonicContact OE2-NE 2.69Å; E178-R305 PolarHBondContact OE2-NE 2.97Å; E178-R305 IonicContact OE2-NH2 2.78Å; E178-R305 PolarHBondContact OE2-NH2 3.24Å; P303-R305 PolarHBondContact O-N 3.17Å; P303-R305 VanDerWaalsContact O-N 3.1Å; R305-S307 PolarHBondContact O-N 3.3Å; R305-R311 HydrophobicContact CG-CG 4.34Å
306D92.7Very high86.3Confident79 Ų7966.6 Ų66.642%0.42231%0.309SS..G310 helixtrans-66.5-20.4-176-67.421.4000113.9A284 P303A284-D306 HydrophobicContact CB-CB 3.79Å; P303-D306 PolarHBondContact O-N 3.45Å
307S94.6Very high87Confident2 Ų257.9 Ų57.91%0.01427%0.272CS..SBendtrans-142.3157.9171.677.40000112.8E162 R305 L309 T310 R311E162-S307 VanDerWaalsContact OE2-CA 3.28Å; E162-S307 WeakPolarHBondContact OE2-CA 3.46Å; R305-S307 PolarHBondContact O-N 3.3Å; S307-L309 VanDerWaalsContact C-N 3.28Å; S307-L309 PolarHBondContact O-N 3.12Å; S307-T310 PolarHBondContact N-OG1 3.24Å; S307-T310 PolarHBondContact O-OG1 3.29Å; S307-T310 VanDerWaalsContact O-OG1 3.05Å; S307-T310 PolarHBondContact OG-N 2.71Å; S307-T310 PolarHBondContact OG-OG1 3.02Å; S307-R311 WeakPolarHBondContact O-CG 3.44Å; S307-R311 PolarHBondContact O-N 3.17Å
308K93.6Very high87.8Confident59 Ų5957.8 Ų57.826%0.25727%0.274SS..Hα-helixtrans-66.2-34.1173.5-70.5-171.9-174.3166.10112V159 E162 I164 V176 R311 I312V159-K308 HydrophobicContact CG1-CB 4.42Å; E162-K308 VanDerWaalsContact O-CD 3.25Å; E162-K308 WeakPolarHBondContact O-CD 3.4Å; E162-K308 WeakPolarHBondContact O-CE 3.44Å; E162-K308 PolarHBondContact O-NZ 3.35Å; E162-K308 PolarHBondContact OE1-N 3.17Å; E162-K308 PolarHBondContact OE2-N 3.48Å; I164-K308 HydrophobicContact CD1-CB 4.31Å; I164-K308 HydrophobicContact CD1-CD 4.07Å; I164-K308 HydrophobicContact CG1-CD 4.04Å; V176-K308 HydrophobicContact CG2-CB 4.35Å; V176-K308 HydrophobicContact CG2-CD 4.45Å; V176-K308 HydrophobicContact CG2-CG 4.37Å; K308-R311 PolarHBondContact O-N 3.23Å; K308-I312 WeakPolarHBondContact O-CG1 3.43Å; K308-I312 PolarHBondContact O-N 2.93Å; K308-I312 VanDerWaalsContact O-N 3.12Å
309L93.9Very high89Confident0 Ų050.5 Ų50.50%025%0.247CC..Hα-helixtrans-59.3-53.1175.1-178.968.2000111.4H226 L256 L282 L285 S307 R311 I312 L313H226-L309 HydrophobicContact CB-CD1 4.11Å; L256-L309 HydrophobicContact CD2-CD1 4.1Å; L256-L309 HydrophobicContact CD2-CD2 3.99Å; L282-L309 HydrophobicContact CD2-CD2 4.46Å; L285-L309 HydrophobicContact CD2-CD2 4.42Å; S307-L309 VanDerWaalsContact C-N 3.28Å; S307-L309 PolarHBondContact O-N 3.12Å; L309-R311 PolarHBondContact O-N 2.84Å; L309-I312 PolarHBondContact O-N 2.8Å; L309-I312 VanDerWaalsContact O-N 3.09Å; L309-L313 HydrophobicContact CD1-CD1 3.88Å; L309-L313 HydrophobicContact CD1-CG 4.24Å; L309-L313 HydrophobicContact CG-CD1 4.02Å; L309-L313 HydrophobicContact CG-CG 4.49Å; L309-L313 WeakPolarHBondContact O-CG 3.38Å; L309-L313 PolarHBondContact O-N 3.03Å
310T94.6Very high90.4Very high1 Ų142 Ų421%0.00621%0.212CC..Hα-helixtrans-64.8-26.3-179.746.50000113.5A284 L285 V288 Y304 S307 K314A284-T310 HydrophobicContact CB-CG2 3.9Å; L285-T310 HydrophobicContact CB-CG2 4.12Å; L285-T310 HydrophobicContact CD1-CG2 4.05Å; V288-T310 HydrophobicContact CG2-CG2 3.95Å; Y304-T310 CarbonylContact O-C 3.39Å; Y304-T310 VanDerWaalsContact O-C 3.29Å; Y304-T310 VanDerWaalsContact O-CB 3.28Å; Y304-T310 WeakPolarHBondContact O-CB 2.86Å; Y304-T310 PolarHBondContact O-OG1 2.85Å; S307-T310 PolarHBondContact N-OG1 3.24Å; S307-T310 PolarHBondContact O-OG1 3.29Å; S307-T310 VanDerWaalsContact O-OG1 3.05Å; S307-T310 PolarHBondContact OG-N 2.71Å; S307-T310 PolarHBondContact OG-OG1 3.02Å; T310-K314 PolarHBondContact O-N 3.21Å
311R93.4Very high91Very high50 Ų5039.3 Ų39.319%0.18919%0.19CC..Hα-helixtrans-67.2-49.7169.4-66.417970.8-145.6-8.3110.9V176 E178 V184 Y304 R305 S307 K308 L309 L313 K314V176-R311 HydrophobicContact CG1-CB 4.05Å; V176-R311 PolarHBondContact O-NH1 3.27Å; V176-R311 PolarHBondContact O-NH2 2.89Å; E178-R311 IonicContact OE1-CZ 2.78Å; E178-R311 VanDerWaalsContact OE1-CZ 3.22Å; E178-R311 IonicContact OE1-NE 3.16Å; E178-R311 PolarHBondContact OE1-NE 2.95Å; E178-R311 IonicContact OE1-NH2 2.71Å; E178-R311 PolarHBondContact OE1-NH2 3.28Å; V184-R311 HydrophobicContact CG1-CB 4.44Å; V184-R311 WeakPolarHBondContact CG1-O 3.47Å; V184-R311 WeakPolarHBondContact CG2-O 3.23Å; Y304-R311 WeakPolarHBondContact O-CG 3.47Å; Y304-R311 PolarHBondContact O-N 3.44Å; Y304-R311 VanDerWaalsContact O-N 3.15Å; R305-R311 HydrophobicContact CG-CG 4.34Å; S307-R311 WeakPolarHBondContact O-CG 3.44Å; S307-R311 PolarHBondContact O-N 3.17Å; K308-R311 PolarHBondContact O-N 3.23Å; L309-R311 PolarHBondContact O-N 2.84Å; R311-L313 VanDerWaalsContact C-N 3.26Å; R311-L313 PolarHBondContact O-N 3.27Å; R311-K314 WeakPolarHBondContact O-CB 3.31Å; R311-K314 PolarHBondContact O-N 3.43Å
312I93.2Very high91.3Very high9 Ų936.4 Ų36.45%0.04617%0.173CC..Hα-helixtrans-59.4-38.3177.8-64164.8000111.5L157 V159 I164 V176 V186 V228 K308 L309 K314L157-I312 HydrophobicContact CD1-CD1 4.15Å; V159-I312 HydrophobicContact CG2-CD1 4Å; I164-I312 HydrophobicContact CD1-CD1 3.83Å; V176-I312 HydrophobicContact CG2-CG1 4.38Å; V186-I312 HydrophobicContact CG2-CD1 4.41Å; V186-I312 HydrophobicContact CG2-CG1 4.33Å; V228-I312 HydrophobicContact CG1-CG2 4.45Å; K308-I312 WeakPolarHBondContact O-CG1 3.43Å; K308-I312 PolarHBondContact O-N 2.93Å; K308-I312 VanDerWaalsContact O-N 3.12Å; L309-I312 PolarHBondContact O-N 2.8Å; L309-I312 VanDerWaalsContact O-N 3.09Å; I312-K314 VanDerWaalsContact C-N 3.33Å; I312-K314 PolarHBondContact O-N 3.15Å
313L92.4Very high91.4Very high6 Ų634.3 Ų34.33%0.03116%0.162CC..THydrogen-bonded Turntrans-88.38.9-178.7-55.6-174.3000114.5I254 L285 L309 R311 D315 S316 L317I254-L313 HydrophobicContact CD1-CD1 4.43Å; I254-L313 HydrophobicContact CD1-CD2 3.4Å; L285-L313 HydrophobicContact CD1-CD1 3.95Å; L309-L313 HydrophobicContact CD1-CD1 3.88Å; L309-L313 HydrophobicContact CD1-CG 4.24Å; L309-L313 HydrophobicContact CG-CD1 4.02Å; L309-L313 HydrophobicContact CG-CG 4.49Å; L309-L313 WeakPolarHBondContact O-CG 3.38Å; L309-L313 PolarHBondContact O-N 3.03Å; R311-L313 VanDerWaalsContact C-N 3.26Å; R311-L313 PolarHBondContact O-N 3.27Å; L313-D315 VanDerWaalsContact C-N 3.3Å; L313-D315 PolarHBondContact O-N 3.35Å; L313-S316 WeakPolarHBondContact O-CB 3.5Å; L313-S316 PolarHBondContact O-N 3.41Å; L313-L317 HydrophobicContact CB-CD1 4.47Å; L313-L317 PolarHBondContact O-N 2.68Å
314K91.5Very high91.6Very high80 Ų8033.4 Ų33.435%0.34816%0.156SC..THydrogen-bonded Turntrans-56.8-42.1178.9-177-176.2178.7-171.70112.5E178 V184 Y304 T310 R311 I312 S316E178-K314 IonicContact OE2-NZ 3.65Å; V184-K314 HydrophobicContact CG2-CB 4.16Å; V184-K314 HydrophobicContact CG2-CD 3.96Å; Y304-K314 HydrophobicContact CD1-CB 3.94Å; Y304-K314 HydrophobicContact CD1-CG 3.93Å; Y304-K314 HydrophobicContact CD2-CG 4.11Å; Y304-K314 HydrophobicContact CE1-CB 4.29Å; Y304-K314 HydrophobicContact CE1-CG 4.11Å; Y304-K314 HydrophobicContact CE2-CG 4.27Å; Y304-K314 HydrophobicContact CG-CB 4.28Å; Y304-K314 HydrophobicContact CG-CG 3.92Å; T310-K314 PolarHBondContact O-N 3.21Å; R311-K314 WeakPolarHBondContact O-CB 3.31Å; R311-K314 PolarHBondContact O-N 3.43Å; I312-K314 VanDerWaalsContact C-N 3.33Å; I312-K314 PolarHBondContact O-N 3.15Å; K314-S316 VanDerWaalsContact C-N 3.31Å
315D88.1Confident91.8Very high35 Ų3532 Ų3219%0.18715%0.151CC..THydrogen-bonded Turntrans-69.8-32.7177-48-24.8000111.5K250 L313 G319 C321K250-D315 IonicContact NZ-OD2 2.71Å; K250-D315 PolarHBondContact NZ-OD2 3.44Å; L313-D315 VanDerWaalsContact C-N 3.3Å; L313-D315 PolarHBondContact O-N 3.35Å; D315-G319 CarbonylContact O-C 3.6Å; D315-G319 VanDerWaalsContact O-CA 3.26Å; D315-G319 WeakPolarHBondContact O-CA 3.25Å; D315-G319 PolarHBondContact O-N 2.89Å; D315-C321 WeakPolarHBondContact O-CB 3.39Å
316S90.6Very high92Very high4 Ų423.9 Ų23.93%0.02812%0.12CC..THydrogen-bonded Turntrans-76.9-27.2-175.1-56.10000113.9T105 L313 K314 T323T105-S316 WeakPolarHBondContact OG1-CB 3.41Å; T105-S316 PolarHBondContact OG1-OG 2.86Å; L313-S316 WeakPolarHBondContact O-CB 3.5Å; L313-S316 PolarHBondContact O-N 3.41Å; K314-S316 VanDerWaalsContact C-N 3.31Å; S316-T323 WeakPolarHBondContact O-CB 3.37Å; S316-T323 PolarHBondContact O-OG1 2.84Å
317L88.6Confident92.3Very high3 Ų320.1 Ų20.12%0.01610%0.1CC..SBendtrans-116.197.4-176.3-64.4176.1000110F107 L285 V288 I289 L292 Y304 L313 G319F107-L317 HydrophobicContact CE1-CD2 4.21Å; F107-L317 HydrophobicContact CZ-CD2 4.46Å; L285-L317 HydrophobicContact CD1-CD1 3.59Å; V288-L317 HydrophobicContact CG1-CB 4.41Å; V288-L317 HydrophobicContact CG1-CD1 4.2Å; I289-L317 HydrophobicContact CG1-CD1 4.32Å; L292-L317 HydrophobicContact CD1-CB 3.82Å; L292-L317 WeakPolarHBondContact CD1-O 3.4Å; Y304-L317 PolarHBondContact OH-O 2.85Å; L313-L317 HydrophobicContact CB-CD1 4.47Å; L313-L317 PolarHBondContact O-N 2.68Å; L317-G319 VanDerWaalsContact C-N 3.3Å; L317-G319 PolarHBondContact O-N 3.04Å
318G81.9Confident92.4Very high22 Ų2220 Ų2023%0.22710%0.099CC..SBendtrans81.4-0.8-178.700000115.4
319G86.5Confident92.6Very high17 Ų1717.3 Ų17.318%0.1759%0.088CC..SBendtrans-92.8-162.517500000113.9D315 L317 C321 S354 S355D315-G319 CarbonylContact O-C 3.6Å; D315-G319 VanDerWaalsContact O-CA 3.26Å; D315-G319 WeakPolarHBondContact O-CA 3.25Å; D315-G319 PolarHBondContact O-N 2.89Å; L317-G319 VanDerWaalsContact C-N 3.3Å; L317-G319 PolarHBondContact O-N 3.04Å; G319-C321 VanDerWaalsContact C-N 3.32Å; G319-C321 PolarHBondContact O-N 3.05Å; G319-S354 WeakPolarHBondContact O-CB 3.31Å; G319-S355 PolarHBondContact O-N 2.78Å
320N88.8Confident92.6Very high35 Ų3517.6 Ų17.619%0.1879%0.09CC..SBendtrans-79.580.7170.8-179.423.3000110.6N103 S355 K357 N359N103-N320 VanDerWaalsContact CB-O 3.31Å; N103-N320 WeakPolarHBondContact CB-O 3.29Å; N103-N320 PolarHBondContact ND2-O 3.17Å; N320-S355 WeakPolarHBondContact CA-O 3.19Å; N320-S355 PolarHBondContact OD1-O 3.36Å; N320-K357 PolarHBondContact ND2-O 3.5Å; N320-K357 PolarHBondContact OD1-N 3.2Å; N320-K357 PolarHBondContact OD1-O 2.93Å; N320-K357 VanDerWaalsContact OD1-O 3.1Å; N320-N359 PolarHBondContact ND2-OD1 3.24Å
321C91.1Very high92.5Very high1 Ų117.5 Ų17.51%0.0079%0.089CC..  trans-158.9137.1174.3-167.80000111.8N103 C104 T105 D315 G319 S354 L356N103-C321 HydrophobicContact CB-CB 4.21Å; N103-C321 WeakPolarHBondContact O-CA 3.41Å; C104-C321 VanDerWaalsContact CA-SG 3.59Å; T105-C321 PolarHBondContact N-SG 3.49Å; T105-C321 PolarHBondContact OG1-SG 3.19Å; D315-C321 WeakPolarHBondContact O-CB 3.39Å; G319-C321 VanDerWaalsContact C-N 3.32Å; G319-C321 PolarHBondContact O-N 3.05Å; C321-S354 WeakPolarHBondContact O-CB 3.47Å; C321-S354 PolarHBondContact O-OG 2.76Å; C321-L356 WeakPolarHBondContact O-CD2 3.46Å
322R92.5Very high92.5Very high94 Ų9415.2 Ų15.236%0.3558%0.081SC..EExtended strand (participates in β ladder)trans-85.4108.4169.7-169.7177.1-176-154.4-3108.9G93 N103 C104 T105 L356G93-R322 PolarHBondContact O-NH1 3.28Å; N103-R322 PolarHBondContact O-N 2.75Å; C104-R322 VanDerWaalsContact CA-O 3.32Å; C104-R322 WeakPolarHBondContact CA-O 3.34Å; T105-R322 PolarHBondContact N-O 3.36Å; R322-L356 HydrophobicContact CB-CD1 4.23Å; R322-L356 HydrophobicContact CB-CD2 3.97Å; R322-L356 HydrophobicContact CG-CD1 4.35Å
323T94.5Very high92.3Very high2 Ų217 Ų171%0.0129%0.094CC..EExtended strand (participates in β ladder)trans-113.9137.1-167.3-61.40000112.2V9 K10 T105 F107 S316V9-T323 HydrophobicContact CG1-CG2 4.13Å; K10-T323 PolarHBondContact N-O 2.59Å; T105-T323 HydrophobicContact CG2-CG2 4.42Å; T105-T323 CarbonylContact O-C 3.53Å; T105-T323 VanDerWaalsContact O-CA 3.29Å; T105-T323 WeakPolarHBondContact O-CA 3.46Å; F107-T323 HydrophobicContact CD1-CG2 4.02Å; F107-T323 HydrophobicContact CE1-CG2 3.69Å; S316-T323 WeakPolarHBondContact O-CB 3.37Å; S316-T323 PolarHBondContact O-OG1 2.84Å
324V95.9Very high92.1Very high3 Ų322.8 Ų22.82%0.01812%0.119CC..EExtended strand (participates in β ladder)trans-121124.8175.4-173.30000109.3K10 V94 T105 V106 F107K10-V324 HydrophobicContact CB-CG1 4.43Å; K10-V324 HydrophobicContact CB-CG2 4.27Å; K10-V324 CarbonylContact O-C 3.56Å; K10-V324 VanDerWaalsContact O-CA 3.29Å; K10-V324 WeakPolarHBondContact O-CA 3.49Å; V94-V324 HydrophobicContact CG2-CG2 3.57Å; T105-V324 PolarHBondContact O-N 2.93Å; V106-V324 WeakPolarHBondContact CA-O 3.29Å; V106-V324 HydrophobicContact CG1-CB 4.33Å; V106-V324 HydrophobicContact CG2-CB 4.28Å; F107-V324 PolarHBondContact N-O 3.27Å
325M96.8Very high92Very high0 Ų019.8 Ų19.80%011%0.108CC..EExtended strand (participates in β ladder)trans-98.6126.3170178.6179.4177.400109.4V9 K10 V11 V12 F107 Y109 A327 Y345 A346 A349V9-M325 HydrophobicContact CG1-CB 4.45Å; K10-M325 PolarHBondContact O-N 3.48Å; V11-M325 HydrophobicContact CG1-SD 4.48Å; V11-M325 HydrophobicContact CG2-CB 4.3Å; V12-M325 PolarHBondContact N-O 3.38Å; F107-M325 HydrophobicContact CD2-CG 4.27Å; F107-M325 HydrophobicContact CE1-CB 4Å; F107-M325 HydrophobicContact CE1-CG 4.47Å; F107-M325 HydrophobicContact CE2-CB 4Å; F107-M325 HydrophobicContact CE2-CE 4.46Å; F107-M325 HydrophobicContact CE2-CG 3.56Å; F107-M325 HydrophobicContact CE2-SD 4.05Å; F107-M325 HydrophobicContact CZ-CB 3.63Å; F107-M325 HydrophobicContact CZ-CG 3.68Å; F107-M325 HydrophobicContact CZ-SD 4.07Å; Y109-M325 HydrophobicContact CD1-CE 3.43Å; Y109-M325 VanDerWaalsContact CD1-CE 3.43Å; Y109-M325 HydrophobicContact CE1-CE 4.28Å; Y109-M325 HydrophobicContact CG-CE 3.74Å; M325-A327 HydrophobicContact CE-CB 4.13Å; M325-Y345 HydrophobicContact CE-CD1 3.81Å; M325-Y345 HydrophobicContact CE-CE1 4.37Å; M325-A346 HydrophobicContact CE-CB 4Å; M325-A346 HydrophobicContact SD-CB 4.32Å; M325-A349 HydrophobicContact SD-CB 3.56Å; M325-A349 VanDerWaalsContact SD-CB 3.56Å
326I97.8Very high92.1Very high0 Ų019.1 Ų19.10%010%0.103CC..EExtended strand (participates in β ladder)trans-103.4105.8169.6-55.5-179.9000107.8V12 T90 V106 F107 A108 Y109 T119 N328V12-I326 HydrophobicContact CG2-CB 4.18Å; V12-I326 HydrophobicContact CG2-CG1 3.84Å; V12-I326 HydrophobicContact CG2-CG2 4.2Å; T90-I326 HydrophobicContact CG2-CD1 4.19Å; T90-I326 HydrophobicContact CG2-CG1 4.33Å; V106-I326 HydrophobicContact CG1-CD1 3.73Å; V106-I326 HydrophobicContact CG1-CG1 4.13Å; F107-I326 PolarHBondContact O-N 3.36Å; A108-I326 CarbonylContact C-O 3.58Å; A108-I326 WeakPolarHBondContact CA-O 3.26Å; Y109-I326 PolarHBondContact N-O 3.23Å; T119-I326 HydrophobicContact CG2-CD1 4.26Å; T119-I326 HydrophobicContact CG2-CG2 4.07Å; I326-N328 PolarHBondContact O-N 3.29Å
327A97.6Very high92.2Very high0 Ų022.5 Ų22.50%012%0.121CC..EExtended strand (participates in β ladder)trans-89.2101.9178.700000110.2V12 V13 R14 M325 T342 A346V12-A327 PolarHBondContact O-N 2.85Å; V13-A327 CarbonylContact C-O 3.58Å; V13-A327 WeakPolarHBondContact CA-O 3.17Å; V13-A327 HydrophobicContact CG2-CB 4.03Å; R14-A327 PolarHBondContact N-O 3Å; M325-A327 HydrophobicContact CE-CB 4.13Å; A327-T342 HydrophobicContact CB-CG2 4.3Å; A327-A346 HydrophobicContact CB-CB 3.74Å
328N97.4Very high92.3Very high0 Ų024.1 Ų24.10%013%0.129CC..EExtended strand (participates in β ladder)trans-84.3123.1178.5-76108.3000111Y109 A114 G115 K116 T119 I326Y109-N328 PolarHBondContact O-N 3.14Å; A114-N328 HydrophobicContact CB-CB 4.19Å; A114-N328 WeakPolarHBondContact CB-O 3.38Å; A114-N328 WeakPolarHBondContact O-CB 3.3Å; G115-N328 PolarHBondContact O-ND2 2.59Å; K116-N328 WeakPolarHBondContact CA-OD1 3.5Å; K116-N328 HydrophobicContact CG-CB 4.12Å; T119-N328 PolarHBondContact OG1-ND2 2.64Å; I326-N328 PolarHBondContact O-N 3.29Å
329V96.8Very high92.9Very high1 Ų123.2 Ų23.21%0.00612%0.119CC..EExtended strand (participates in β ladder)trans-126.8156.8-179.7-62.30000112.3V13 R14 V15 R16 T339 T342 L343V13-V329 HydrophobicContact CG1-CG1 4.36Å; V13-V329 HydrophobicContact CG1-CG2 3.68Å; R14-V329 PolarHBondContact O-N 3.24Å; V15-V329 HydrophobicContact CB-CG2 4.29Å; V15-V329 HydrophobicContact CG2-CG2 3.87Å; R16-V329 PolarHBondContact N-O 3.35Å; R16-V329 VanDerWaalsContact N-O 3.15Å; V329-T339 HydrophobicContact CB-CG2 3.88Å; V329-T339 HydrophobicContact CG1-CG2 4.02Å; V329-T342 HydrophobicContact CG1-CG2 3.74Å; V329-L343 HydrophobicContact CG1-CD2 4.08Å; V329-L343 HydrophobicContact CG1-CG 4.22Å
330S94.7Very high93.2Very high6 Ų623.1 Ų23.14%0.04211%0.114CC..  trans-110.1132.2178.6165.50000109.5R16 S332 S335 T339R16-S330 PolarHBondContact NH2-OG 3.25Å; S330-S332 PolarHBondContact O-N 2.91Å; S330-S332 PolarHBondContact OG-N 3.33Å; S330-S335 WeakPolarHBondContact CB-OG 3.24Å; S330-S335 PolarHBondContact OG-OG 3.38Å; S330-T339 PolarHBondContact O-OG1 3.23Å
331P93Very high93.4Very high0 Ų023.9 Ų23.90%012%0.118CC..  trans-68.5-18.7179.626.3-33.9000113.1V15 R16 T18 N29 V30V15-P331 HydrophobicContact CG1-CB 4.09Å; V15-P331 HydrophobicContact CG1-CG 4.3Å; R16-P331 WeakPolarHBondContact O-CD 3.21Å; R16-P331 VanDerWaalsContact O-CG 3.32Å; R16-P331 WeakPolarHBondContact O-CG 3.45Å; T18-P331 HydrophobicContact CG2-CB 4.36Å; T18-P331 HydrophobicContact CG2-CG 3.72Å; N29-P331 CarbonylContact C-O 3.52Å; N29-P331 WeakPolarHBondContact CA-O 3.26Å; N29-P331 WeakPolarHBondContact OD1-CB 3.45Å; N29-P331 PolarHBondContact OD1-O 3.39Å; V30-P331 WeakPolarHBondContact CG2-O 3.34Å; V30-P331 PolarHBondContact N-O 3.39Å
332S92.3Very high93.6Very high1 Ų123.9 Ų23.91%0.00712%0.119CC..BIsolated β-bridgetrans-70.7136.6-171.9174.50000114.2E22 C27 S330 K334 S335E22-S332 VanDerWaalsContact CD-CB 3.47Å; E22-S332 WeakPolarHBondContact OE1-CB 3.4Å; E22-S332 PolarHBondContact OE1-OG 3.12Å; C27-S332 WeakPolarHBondContact CB-OG 3.17Å; S330-S332 PolarHBondContact O-N 2.91Å; S330-S332 PolarHBondContact OG-N 3.33Å; S332-K334 PolarHBondContact O-N 2.94Å; S332-K334 VanDerWaalsContact O-N 3.17Å; S332-K334 PolarHBondContact OG-N 3.26Å; S332-S335 PolarHBondContact O-N 3.09Å; S332-S335 PolarHBondContact O-OG 2.73Å
333S90.1Very high93.8Very high47 Ų4719.4 Ų19.433%0.32910%0.102SC..G310 helixtrans-55.9-24.7170.960.60000114.5R28 S335 Y336R28-S333 VanDerWaalsContact O-CB 3.31Å; R28-S333 WeakPolarHBondContact O-CB 3.35Å; R28-S333 PolarHBondContact O-N 3.44Å; S333-S335 PolarHBondContact O-N 3.27Å; S333-Y336 WeakPolarHBondContact O-CB 3.45Å; S333-Y336 PolarHBondContact O-N 3Å
334K88.3Confident93.8Very high127 Ų12723.5 Ų23.555%0.55212%0.119SC*.G310 helixtrans-60.1-36.9172.3-70.1-172.3168.1-163.40112.3E25 S332 Y336E25-K334 IonicContact OE1-NZ 2.66Å; E25-K334 PolarHBondContact OE1-NZ 2.86Å; E25-K334 WeakPolarHBondContact OE2-CE 3.49Å; E25-K334 IonicContact OE2-NZ 2.63Å; E25-K334 PolarHBondContact OE2-NZ 3.44Å; S332-K334 PolarHBondContact O-N 2.94Å; S332-K334 VanDerWaalsContact O-N 3.17Å; S332-K334 PolarHBondContact OG-N 3.26Å; K334-Y336 VanDerWaalsContact C-N 3.34Å
335S88.8Confident93.6Very high17 Ų1724.6 Ų24.612%0.11912%0.123CC..G310 helixtrans-9520.2-179.141.70000113.2S330 S332 S333 T339S330-S335 WeakPolarHBondContact CB-OG 3.24Å; S330-S335 PolarHBondContact OG-OG 3.38Å; S332-S335 PolarHBondContact O-N 3.09Å; S332-S335 PolarHBondContact O-OG 2.73Å; S333-S335 PolarHBondContact O-N 3.27Å; S335-T339 WeakPolarHBondContact O-CB 3.42Å; S335-T339 PolarHBondContact O-N 3.24Å; S335-T339 PolarHBondContact O-OG1 2.88Å
336Y91.3Very high93.6Very high22 Ų2224.6 Ų24.69%0.08612%0.123CC..Hα-helixtrans-56.7-54.3-174.2176.1-82000113.2V30 F41 D42 K67 S333 K334 T339 Q340V30-Y336 HydrophobicContact CB-CD2 4.24Å; V30-Y336 HydrophobicContact CG1-CD2 4.15Å; V30-Y336 HydrophobicContact CG2-CD2 4.21Å; F41-Y336 HydrophobicContact CE1-CD2 4.11Å; F41-Y336 HydrophobicContact CE1-CE1 4.19Å; F41-Y336 AromaticContact CE1-CE2 3.64Å; F41-Y336 HydrophobicContact CE1-CE2 3.64Å; F41-Y336 AromaticContact CE1-CZ 3.66Å; F41-Y336 HydrophobicContact CE2-CD2 4.33Å; F41-Y336 HydrophobicContact CZ-CD1 4.09Å; F41-Y336 AromaticContact CZ-CD2 3.5Å; F41-Y336 HydrophobicContact CZ-CD2 3.5Å; F41-Y336 HydrophobicContact CZ-CE1 4.09Å; F41-Y336 AromaticContact CZ-CE2 3.54Å; F41-Y336 HydrophobicContact CZ-CE2 3.54Å; F41-Y336 AromaticContact CZ-CG 3.79Å; F41-Y336 HydrophobicContact CZ-CG 3.79Å; F41-Y336 AromaticContact CZ-CZ 3.83Å; F41-Y336 WeakPolarHBondContact CZ-O 3.3Å; D42-Y336 HydrophobicContact CB-CE2 3.8Å; D42-Y336 WeakPolarHBondContact OD2-CE2 3.49Å; D42-Y336 PolarHBondContact OD2-OH 3.36Å; K67-Y336 VanDerWaalsContact CD-OH 3.23Å; K67-Y336 WeakPolarHBondContact CD-OH 3.1Å; K67-Y336 WeakPolarHBondContact CE-OH 3.38Å; K67-Y336 PolarHBondContact NZ-OH 2.91Å; S333-Y336 WeakPolarHBondContact O-CB 3.45Å; S333-Y336 PolarHBondContact O-N 3Å; K334-Y336 VanDerWaalsContact C-N 3.34Å; Y336-T339 PolarHBondContact O-N 2.86Å; Y336-Q340 WeakPolarHBondContact O-CB 3.43Å; Y336-Q340 PolarHBondContact O-N 2.99Å
337D90.8Very high93.4Very high74 Ų7427.4 Ų27.440%0.39614%0.138SC..Hα-helixtrans-71.9-33.8-173.6-76.3-44.1000111.5R64 N341R64-D337 IonicContact CZ-OD2 3.69Å; R64-D337 IonicContact NH1-OD1 3.75Å; R64-D337 PolarHBondContact NH1-OD1 2.7Å; R64-D337 IonicContact NH1-OD2 2.64Å; R64-D337 PolarHBondContact NH1-OD2 2.76Å; R64-D337 IonicContact NH2-OD2 2.76Å; R64-D337 PolarHBondContact NH2-OD2 2.82Å; D337-N341 PolarHBondContact O-N 3.1Å; D337-N341 PolarHBondContact O-ND2 2.91Å
338D91.3Very high93.3Very high37 Ų3733.7 Ų33.720%0.19816%0.162CC..Hα-helixtrans-73.3-35.6174.5-67.4-48.2000113.3A111 N341 T342A111-D338 HydrophobicContact CB-CB 4.16Å; D338-N341 PolarHBondContact O-N 2.88Å; D338-T342 WeakPolarHBondContact O-CB 3.41Å; D338-T342 PolarHBondContact O-N 3.49Å; D338-T342 PolarHBondContact O-OG1 2.77Å
339T94Very high93.1Very high3 Ų333.7 Ų33.72%0.01816%0.162CC..Hα-helixtrans-66.4-43172.4-64.10000110.6V31 F41 V329 S330 S335 Y336 N341 T342 L343V31-T339 HydrophobicContact CG2-CG2 3.84Å; F41-T339 HydrophobicContact CD2-CG2 3.84Å; F41-T339 HydrophobicContact CE2-CG2 3.74Å; V329-T339 HydrophobicContact CB-CG2 3.88Å; V329-T339 HydrophobicContact CG1-CG2 4.02Å; S330-T339 PolarHBondContact O-OG1 3.23Å; S335-T339 WeakPolarHBondContact O-CB 3.42Å; S335-T339 PolarHBondContact O-N 3.24Å; S335-T339 PolarHBondContact O-OG1 2.88Å; Y336-T339 PolarHBondContact O-N 2.86Å; T339-N341 VanDerWaalsContact C-N 3.32Å; T339-N341 PolarHBondContact O-N 3.3Å; T339-T342 PolarHBondContact O-N 2.92Å; T339-L343 HydrophobicContact CG2-CD1 3.97Å; T339-L343 HydrophobicContact CG2-CG 4.38Å; T339-L343 WeakPolarHBondContact O-CG 3.43Å; T339-L343 PolarHBondContact O-N 3.24Å
340Q93.9Very high92.9Very high15 Ų1535.8 Ų35.87%0.0717%0.171CC..Hα-helixtrans-59.8-40.9172.1175.4150.3120.400112.3F41 L69 Y336 K344F41-Q340 HydrophobicContact CE1-CB 3.91Å; F41-Q340 HydrophobicContact CE1-CG 4.42Å; F41-Q340 HydrophobicContact CE2-CB 4.31Å; F41-Q340 HydrophobicContact CZ-CB 3.74Å; L69-Q340 VanDerWaalsContact CD1-NE2 3.33Å; Y336-Q340 WeakPolarHBondContact O-CB 3.43Å; Y336-Q340 PolarHBondContact O-N 2.99Å; Q340-K344 HydrophobicContact CG-CD 4.03Å; Q340-K344 WeakPolarHBondContact O-CB 3.49Å; Q340-K344 WeakPolarHBondContact O-CD 3.31Å; Q340-K344 VanDerWaalsContact O-CG 3.25Å; Q340-K344 WeakPolarHBondContact O-CG 3.34Å; Q340-K344 PolarHBondContact O-N 2.78Å
341N93.1Very high92.7Very high51 Ų5140.1 Ų40.127%0.27319%0.191SC..Hα-helixtrans-64-45.6174.7-68.3-36.1000110.9D337 D338 T339 K344 Y345D337-N341 PolarHBondContact O-N 3.1Å; D337-N341 PolarHBondContact O-ND2 2.91Å; D338-N341 PolarHBondContact O-N 2.88Å; T339-N341 VanDerWaalsContact C-N 3.32Å; T339-N341 PolarHBondContact O-N 3.3Å; N341-K344 PolarHBondContact O-N 2.91Å; N341-Y345 VanDerWaalsContact O-CB 3.32Å; N341-Y345 WeakPolarHBondContact O-CB 3.35Å; N341-Y345 PolarHBondContact O-N 3.02Å
342T95.5Very high92.6Very high2 Ų240.1 Ų40.11%0.01219%0.191CC..Hα-helixtrans-61.2-47-179-57.50000112.2Y109 A327 V329 D338 T339 Y345 A346Y109-T342 HydrophobicContact CD1-CG2 4.1Å; Y109-T342 HydrophobicContact CE1-CG2 4.23Å; A327-T342 HydrophobicContact CB-CG2 4.3Å; V329-T342 HydrophobicContact CG1-CG2 3.74Å; D338-T342 WeakPolarHBondContact O-CB 3.41Å; D338-T342 PolarHBondContact O-N 3.49Å; D338-T342 PolarHBondContact O-OG1 2.77Å; T339-T342 PolarHBondContact O-N 2.92Å; T342-Y345 WeakPolarHBondContact O-CB 3.44Å; T342-Y345 PolarHBondContact O-N 3.03Å; T342-A346 WeakPolarHBondContact O-CB 3.29Å; T342-A346 PolarHBondContact O-N 3.45Å
343L95.9Very high92.4Very high0 Ų044.8 Ų44.80%021%0.211CC..Hα-helixtrans-65.1-42.2178.5-67.5171000112.2V13 L39 F41 F71 F73 V329 T339 Y345 A346 N347V13-L343 HydrophobicContact CG1-CD2 4.15Å; V13-L343 HydrophobicContact CG2-CD2 3.99Å; L39-L343 HydrophobicContact CD1-CD1 3.81Å; L39-L343 HydrophobicContact CD1-CD2 3.96Å; L39-L343 HydrophobicContact CD2-CD2 3.93Å; F41-L343 HydrophobicContact CB-CD1 3.81Å; F41-L343 HydrophobicContact CD2-CD1 3.8Å; F41-L343 HydrophobicContact CG-CD1 4.04Å; F71-L343 HydrophobicContact CD1-CB 4.25Å; F71-L343 HydrophobicContact CD2-CB 4.21Å; F71-L343 HydrophobicContact CD2-CD1 4.1Å; F71-L343 HydrophobicContact CE1-CB 3.97Å; F71-L343 HydrophobicContact CE2-CB 3.92Å; F71-L343 HydrophobicContact CE2-CD1 3.98Å; F71-L343 HydrophobicContact CG-CB 4.37Å; F71-L343 HydrophobicContact CZ-CB 3.79Å; F73-L343 HydrophobicContact CE2-CD2 3.98Å; F73-L343 HydrophobicContact CZ-CD2 4.08Å; V329-L343 HydrophobicContact CG1-CD2 4.08Å; V329-L343 HydrophobicContact CG1-CG 4.22Å; T339-L343 HydrophobicContact CG2-CD1 3.97Å; T339-L343 HydrophobicContact CG2-CG 4.38Å; T339-L343 WeakPolarHBondContact O-CG 3.43Å; T339-L343 PolarHBondContact O-N 3.24Å; L343-Y345 VanDerWaalsContact C-N 3.31Å; L343-Y345 PolarHBondContact O-N 3.25Å; L343-A346 PolarHBondContact O-N 3.38Å; L343-N347 WeakPolarHBondContact O-CB 3.32Å; L343-N347 PolarHBondContact O-N 2.85Å
344K94.1Very high92.2Very high88 Ų8842.7 Ų42.738%0.38320%0.196SC..Hα-helixtrans-62.6-37.4174.2-74172.3-179.7173.30112.4F71 Q340 N341 R348F71-K344 HydrophobicContact CE1-CG 4.33Å; F71-K344 HydrophobicContact CZ-CG 4.26Å; Q340-K344 HydrophobicContact CG-CD 4.03Å; Q340-K344 WeakPolarHBondContact O-CB 3.49Å; Q340-K344 WeakPolarHBondContact O-CD 3.31Å; Q340-K344 VanDerWaalsContact O-CG 3.25Å; Q340-K344 WeakPolarHBondContact O-CG 3.34Å; Q340-K344 PolarHBondContact O-N 2.78Å; N341-K344 PolarHBondContact O-N 2.91Å; K344-R348 WeakPolarHBondContact O-CG 3.43Å; K344-R348 PolarHBondContact O-N 3.17Å
345Y93.2Very high92Very high26 Ų2639.2 Ų39.210%0.10219%0.188CC..Hα-helixtrans-69-47.5178.5-163.5-84.9000111.2Y109 L285 G286 I289 M325 N341 T342 L343 N347 R348 A349Y109-Y345 HydrophobicContact CD1-CD1 4.02Å; Y109-Y345 HydrophobicContact CD1-CE1 4.33Å; Y109-Y345 HydrophobicContact CD2-CE1 4.08Å; Y109-Y345 AromaticContact CE1-CD1 3.58Å; Y109-Y345 HydrophobicContact CE1-CD1 3.58Å; Y109-Y345 HydrophobicContact CE1-CD2 4.39Å; Y109-Y345 AromaticContact CE1-CE1 3.98Å; Y109-Y345 HydrophobicContact CE1-CE1 3.98Å; Y109-Y345 AromaticContact CE1-CG 3.78Å; Y109-Y345 HydrophobicContact CE1-CG 3.78Å; Y109-Y345 HydrophobicContact CE2-CD1 4.18Å; Y109-Y345 AromaticContact CE2-CE1 3.7Å; Y109-Y345 HydrophobicContact CE2-CE1 3.7Å; Y109-Y345 HydrophobicContact CE2-CE2 4.34Å; Y109-Y345 AromaticContact CE2-CZ 3.77Å; Y109-Y345 HydrophobicContact CG-CD1 4.5Å; Y109-Y345 HydrophobicContact CG-CE1 4.38Å; Y109-Y345 AromaticContact CZ-CD1 3.66Å; Y109-Y345 AromaticContact CZ-CD2 3.98Å; Y109-Y345 AromaticContact CZ-CE1 3.64Å; Y109-Y345 AromaticContact CZ-CE2 3.96Å; Y109-Y345 AromaticContact CZ-CG 3.8Å; Y109-Y345 AromaticContact CZ-CZ 3.78Å; Y109-Y345 WeakPolarHBondContact OH-CD2 3.36Å; Y109-Y345 WeakPolarHBondContact OH-CE2 3.44Å; L285-Y345 VanDerWaalsContact C-OH 3.26Å; L285-Y345 WeakPolarHBondContact CB-OH 3.42Å; L285-Y345 WeakPolarHBondContact CG-OH 3.22Å; G286-Y345 VanDerWaalsContact CA-CE2 3.46Å; G286-Y345 WeakPolarHBondContact CA-OH 3.34Å; G286-Y345 PolarHBondContact N-OH 2.7Å; G286-Y345 VanDerWaalsContact N-OH 3.07Å; I289-Y345 HydrophobicContact CD1-CD1 4.3Å; I289-Y345 HydrophobicContact CD1-CE1 3.43Å; I289-Y345 VanDerWaalsContact CD1-CE1 3.43Å; M325-Y345 HydrophobicContact CE-CD1 3.81Å; M325-Y345 HydrophobicContact CE-CE1 4.37Å; N341-Y345 VanDerWaalsContact O-CB 3.32Å; N341-Y345 WeakPolarHBondContact O-CB 3.35Å; N341-Y345 PolarHBondContact O-N 3.02Å; T342-Y345 WeakPolarHBondContact O-CB 3.44Å; T342-Y345 PolarHBondContact O-N 3.03Å; L343-Y345 VanDerWaalsContact C-N 3.31Å; L343-Y345 PolarHBondContact O-N 3.25Å; Y345-N347 VanDerWaalsContact C-N 3.34Å; Y345-N347 PolarHBondContact O-N 2.79Å; Y345-R348 PolarHBondContact O-N 2.83Å; Y345-R348 VanDerWaalsContact O-N 3.14Å; Y345-A349 PolarHBondContact O-N 2.68Å
346A95.8Very high91.8Very high0 Ų039 Ų390%019%0.186CC..Hα-helixtrans-57.2-44.7174.100000112V11 F73 M325 A327 T342 L343 R348 A349 K350V11-A346 HydrophobicContact CG1-CB 3.75Å; F73-A346 HydrophobicContact CE1-CB 3.68Å; F73-A346 HydrophobicContact CZ-CB 4.18Å; M325-A346 HydrophobicContact CE-CB 4Å; M325-A346 HydrophobicContact SD-CB 4.32Å; A327-A346 HydrophobicContact CB-CB 3.74Å; T342-A346 WeakPolarHBondContact O-CB 3.29Å; T342-A346 PolarHBondContact O-N 3.45Å; L343-A346 PolarHBondContact O-N 3.38Å; A346-R348 PolarHBondContact O-N 2.83Å; A346-A349 PolarHBondContact O-N 3.39Å; A346-K350 PolarHBondContact O-N 2.93Å
347N94.7Very high91.5Very high59 Ų5942.5 Ų42.532%0.31620%0.201SC..Hα-helixtrans-64.4-27.3178.7-161115.7000112.8F71 F73 L343 Y345F71-N347 HydrophobicContact CD1-CB 4.21Å; F71-N347 HydrophobicContact CE1-CB 4.48Å; F73-N347 HydrophobicContact CE1-CB 4.32Å; L343-N347 WeakPolarHBondContact O-CB 3.32Å; L343-N347 PolarHBondContact O-N 2.85Å; Y345-N347 VanDerWaalsContact C-N 3.34Å; Y345-N347 PolarHBondContact O-N 2.79Å
348R93.5Very high91.2Very high131 Ų13141.1 Ų41.149%0.49420%0.198SC..Hα-helixtrans-79.2-37.9173.2-70178.7-175.8176.50.2112.2I289 N290 A293 K344 Y345 A346 K350 E351I289-R348 HydrophobicContact CG2-CB 4.18Å; N290-R348 WeakPolarHBondContact OD1-CD 3.42Å; N290-R348 PolarHBondContact OD1-NH1 2.81Å; A293-R348 HydrophobicContact CB-CB 4.32Å; A293-R348 WeakPolarHBondContact CB-O 3.49Å; K344-R348 WeakPolarHBondContact O-CG 3.43Å; K344-R348 PolarHBondContact O-N 3.17Å; Y345-R348 PolarHBondContact O-N 2.83Å; Y345-R348 VanDerWaalsContact O-N 3.14Å; A346-R348 PolarHBondContact O-N 2.83Å; R348-K350 PolarHBondContact O-N 2.82Å; R348-E351 PolarHBondContact O-N 3.04Å
349A93.9Very high90.8Very high1 Ų141.5 Ų41.51%0.00820%0.199CC..Hα-helixtrans-58.8-32.5178.400000112.4V11 I289 M325 Y345 A346 E351 I352V11-A349 HydrophobicContact CG2-CB 4.06Å; I289-A349 HydrophobicContact CG2-CB 4.39Å; M325-A349 HydrophobicContact SD-CB 3.56Å; M325-A349 VanDerWaalsContact SD-CB 3.56Å; Y345-A349 PolarHBondContact O-N 2.68Å; A346-A349 PolarHBondContact O-N 3.39Å; A349-E351 VanDerWaalsContact C-N 3.26Å; A349-E351 PolarHBondContact O-N 3.29Å; A349-I352 VanDerWaalsContact O-CB 3.31Å; A349-I352 WeakPolarHBondContact O-CB 3.44Å; A349-I352 WeakPolarHBondContact O-CG1 3.43Å; A349-I352 PolarHBondContact O-N 3.34Å; A349-I352 VanDerWaalsContact O-N 3.15Å
350K92.7Very high90.1Very high44 Ų4445 Ų4519%0.19122%0.22CC..THydrogen-bonded Turntrans-58-32.4178.2-159.6-177.1-166.1179.60114.1V11 V72 D74 A346 R348 I352V11-K350 HydrophobicContact CB-CB 4.45Å; V11-K350 HydrophobicContact CG2-CB 3.89Å; V11-K350 HydrophobicContact CG2-CG 4.36Å; V72-K350 PolarHBondContact O-NZ 2.72Å; D74-K350 WeakPolarHBondContact OD1-CE 3.45Å; D74-K350 IonicContact OD1-NZ 2.74Å; D74-K350 PolarHBondContact OD1-NZ 2.98Å; A346-K350 PolarHBondContact O-N 2.93Å; R348-K350 PolarHBondContact O-N 2.82Å; K350-I352 VanDerWaalsContact C-N 3.28Å; K350-I352 PolarHBondContact O-N 2.81Å
351E91.4Very high89Confident97 Ų9747.2 Ų47.245%0.45324%0.235SC..THydrogen-bonded Turntrans-77.4-13.5-178.7-61.3-55.4141.500113.5A293 R348 A349 K353A293-E351 HydrophobicContact CB-CB 4.14Å; R348-E351 PolarHBondContact O-N 3.04Å; A349-E351 VanDerWaalsContact C-N 3.26Å; A349-E351 PolarHBondContact O-N 3.29Å; E351-K353 WeakPolarHBondContact O-CG 3.3Å; E351-K353 PolarHBondContact O-N 2.88Å
352I91.1Very high87.5Confident0 Ų046.6 Ų46.60%024%0.235CC..  trans-68.9131.8-178.1-60.2179.6000110.1H8 V9 I289 L292 A293 A349 K350H8-I352 CarbonylContact C-O 3.57Å; H8-I352 VanDerWaalsContact CA-O 3.29Å; H8-I352 WeakPolarHBondContact CA-O 3.36Å; V9-I352 HydrophobicContact CG2-CB 3.79Å; V9-I352 HydrophobicContact CG2-CG2 3.81Å; V9-I352 PolarHBondContact N-O 2.83Å; I289-I352 HydrophobicContact CB-CD1 4.08Å; I289-I352 HydrophobicContact CG1-CD1 3.73Å; I289-I352 HydrophobicContact CG2-CD1 4.07Å; L292-I352 HydrophobicContact CB-CB 4.45Å; L292-I352 HydrophobicContact CB-CD1 3.9Å; L292-I352 HydrophobicContact CB-CG1 3.75Å; L292-I352 HydrophobicContact CB-CG2 4.08Å; L292-I352 HydrophobicContact CD1-CD1 4.15Å; L292-I352 HydrophobicContact CD1-CG2 4.1Å; A293-I352 HydrophobicContact CB-CG1 4.48Å; A349-I352 VanDerWaalsContact O-CB 3.31Å; A349-I352 WeakPolarHBondContact O-CB 3.44Å; A349-I352 WeakPolarHBondContact O-CG1 3.43Å; A349-I352 PolarHBondContact O-N 3.34Å; A349-I352 VanDerWaalsContact O-N 3.15Å; K350-I352 VanDerWaalsContact C-N 3.28Å; K350-I352 PolarHBondContact O-N 2.81Å
353K88.3Confident85.6Confident100 Ų10050.6 Ų50.644%0.43526%0.256SS..EExtended strand (participates in β ladder)trans-109.7122.5-179.2-47.4-161.3-177.4-146.50110.5S7 H8 E351S7-K353 CarbonylContact O-C 3.53Å; S7-K353 WeakPolarHBondContact O-CA 3.3Å; H8-K353 WeakPolarHBondContact NE2-CE 3.41Å; H8-K353 PolarHBondContact NE2-NZ 3.28Å; E351-K353 WeakPolarHBondContact O-CG 3.3Å; E351-K353 PolarHBondContact O-N 2.88Å
354S85.5Confident83.5Confident2 Ų254.4 Ų54.41%0.01428%0.276CS..EExtended strand (participates in β ladder)trans-94.2151.1171-68.80000111.2S7 G319 C321S7-S354 PolarHBondContact N-O 3.01Å; S7-S354 VanDerWaalsContact N-O 3.16Å; S7-S354 PolarHBondContact O-N 3.08Å; G319-S354 WeakPolarHBondContact O-CB 3.31Å; C321-S354 WeakPolarHBondContact O-CB 3.47Å; C321-S354 PolarHBondContact O-OG 2.76Å
355S83.3Confident81.3Confident55 Ų5552.1 Ų52.139%0.38527%0.271SS..EExtended strand (participates in β ladder)trans-105.790.9177.346.50000110.3G319 N320 K357G319-S355 PolarHBondContact O-N 2.78Å; N320-S355 WeakPolarHBondContact CA-O 3.19Å; N320-S355 PolarHBondContact OD1-O 3.36Å; S355-K357 PolarHBondContact O-N 3.04Å
356L83.7Confident79.3Confident12 Ų1254.5 Ų54.56%0.06328%0.283CS..EExtended strand (participates in β ladder)trans-77.2123.3-173.4-56.1-173.4000111.8V5 F102 C321 R322V5-L356 HydrophobicContact CB-CB 4.4Å; V5-L356 PolarHBondContact N-O 2.86Å; V5-L356 WeakPolarHBondContact O-CB 3.47Å; V5-L356 PolarHBondContact O-N 3.49Å; F102-L356 HydrophobicContact CD1-CB 4.03Å; F102-L356 HydrophobicContact CE1-CB 3.99Å; C321-L356 WeakPolarHBondContact O-CD2 3.46Å; R322-L356 HydrophobicContact CB-CD1 4.23Å; R322-L356 HydrophobicContact CB-CD2 3.97Å; R322-L356 HydrophobicContact CG-CD1 4.35Å
357K85.8Confident77.3Confident95 Ų9560.2 Ų60.241%0.41331%0.312SS..  trans-130.3128.6171-62.4172.6-176.6-740108D4 N320 S355D4-K357 IonicContact OD1-NZ 2.64Å; D4-K357 PolarHBondContact OD1-NZ 2.91Å; D4-K357 IonicContact OD2-NZ 3.22Å; D4-K357 PolarHBondContact OD2-NZ 3.45Å; N320-K357 PolarHBondContact ND2-O 3.5Å; N320-K357 PolarHBondContact OD1-N 3.2Å; N320-K357 PolarHBondContact OD1-O 2.93Å; N320-K357 VanDerWaalsContact OD1-O 3.1Å; S355-K357 PolarHBondContact O-N 3.04Å
358S84.4Confident75.3Confident46 Ų4660.7 Ų60.732%0.32232%0.32SS..  trans-73.5134.5174.3-179.50000110.1N100 V360N100-S358 PolarHBondContact O-OG 3Å; S358-V360 PolarHBondContact O-N 3.14Å
359N83Confident73.4Confident44 Ų4459.1 Ų59.124%0.23532%0.319CS..  trans-83.960.8-176.7-58.3-29.7000111.2G101 N103 I248 N320G101-N359 WeakPolarHBondContact O-CB 3.41Å; G101-N359 PolarHBondContact O-N 2.59Å; N103-N359 PolarHBondContact ND2-ND2 2.84Å; N103-N359 PolarHBondContact OD1-ND2 3.23Å; I248-N359 PolarHBondContact N-O 3.41Å; I248-N359 VanDerWaalsContact N-O 3.08Å; I248-N359 WeakPolarHBondContact O-CB 3.38Å; I248-N359 PolarHBondContact O-ND2 3.15Å; N320-N359 PolarHBondContact ND2-OD1 3.24Å
360V80.5Confident71.7Confident76 Ų7665.4 Ų65.446%0.46134%0.343SS..EExtended strand (participates in β ladder)trans-89.7116.8173.2-176.40000109.4N245 S358N245-V360 HydrophobicContact CB-CG1 4Å; S358-V360 PolarHBondContact O-N 3.14Å
361V69.6Low70.5Confident62 Ų6266.4 Ų66.438%0.37636%0.359SS..EExtended strand (participates in β ladder)trans-101.1102.1172.4-175.60000108V246V246-V361 PolarHBondContact N-O 3.08Å; V246-V361 PolarHBondContact O-N 3.38Å
362S61.1Low69.5Low39 Ų3966.6 Ų66.627%0.27337%0.367SS..EExtended strand (participates in β ladder)trans-81.1130.7170.454.30000110.1N245 D364 S365 H366N245-S362 WeakPolarHBondContact OD1-CA 3.32Å; N245-S362 WeakPolarHBondContact OD1-CB 3.36Å; S362-D364 PolarHBondContact O-N 3.37Å; S362-S365 WeakPolarHBondContact O-CB 3.47Å; S362-S365 PolarHBondContact O-N 3.44Å; S362-S365 VanDerWaalsContact O-N 3.14Å; S362-S365 WeakPolarHBondContact OG-CB 3.48Å; S362-H366 PolarHBondContact O-N 3.45Å
363L56.1Low68.5Low85 Ų8570.2 Ų70.245%0.44539%0.385SS..Hα-helixtrans-66.5-35-176.1-73.6167.7000112.6P244 S365 H366 I367P244-L363 HydrophobicContact CB-CD1 4Å; P244-L363 HydrophobicContact CG-CD1 4.09Å; L363-S365 VanDerWaalsContact C-N 3.25Å; L363-S365 PolarHBondContact O-N 2.91Å; L363-H366 WeakPolarHBondContact O-CA 3.47Å; L363-H366 VanDerWaalsContact O-CB 3.29Å; L363-H366 WeakPolarHBondContact O-CB 3.39Å; L363-H366 PolarHBondContact O-N 3.07Å; L363-I367 PolarHBondContact O-N 3.04Å
364D52Low67.6Low80 Ų8068.7 Ų68.743%0.42839%0.387SS..Hα-helixtrans-61.2-32.7172.4-117.2-12.3000113.4N243 S362 H366 I367 S368N243-D364 PolarHBondContact ND2-OD2 3.45Å; N243-D364 WeakPolarHBondContact OD1-CB 3.49Å; N243-D364 PolarHBondContact OD1-N 3.37Å; S362-D364 PolarHBondContact O-N 3.37Å; D364-H366 PolarHBondContact O-N 3.4Å; D364-I367 PolarHBondContact O-N 2.86Å; D364-S368 WeakPolarHBondContact O-CB 3.5Å; D364-S368 PolarHBondContact O-N 2.86Å; D364-S368 PolarHBondContact O-OG 3.22Å
365S48.2Very low67.1Low40 Ų4072.9 Ų72.928%0.2841%0.406SS..Hα-helixtrans-66.7-26173.9-175.40000111.2S362 L363 Q369S362-S365 WeakPolarHBondContact O-CB 3.47Å; S362-S365 PolarHBondContact O-N 3.44Å; S362-S365 VanDerWaalsContact O-N 3.14Å; S362-S365 WeakPolarHBondContact OG-CB 3.48Å; L363-S365 VanDerWaalsContact C-N 3.25Å; L363-S365 PolarHBondContact O-N 2.91Å; S365-Q369 WeakPolarHBondContact O-CB 3.44Å; S365-Q369 WeakPolarHBondContact O-CG 3.47Å; S365-Q369 PolarHBondContact O-N 2.68Å; S365-Q369 PolarHBondContact OG-NE2 2.9Å
366H49.9Very low66.9Low77 Ų7777.2 Ų77.236%0.35642%0.418SS..Hα-helixtrans-69.3-45.5173.1-114.4-67.6000111.2S362 L363 D364 Q369 Y370S362-H366 PolarHBondContact O-N 3.45Å; L363-H366 WeakPolarHBondContact O-CA 3.47Å; L363-H366 VanDerWaalsContact O-CB 3.29Å; L363-H366 WeakPolarHBondContact O-CB 3.39Å; L363-H366 PolarHBondContact O-N 3.07Å; D364-H366 PolarHBondContact O-N 3.4Å; H366-Q369 PolarHBondContact O-N 3.36Å; H366-Y370 HydrophobicContact CB-CD2 4.4Å; H366-Y370 HydrophobicContact CB-CE2 4.2Å; H366-Y370 AromaticContact CE1-CZ 3.96Å; H366-Y370 AromaticContact ND1-CD2 3.92Å; H366-Y370 AromaticContact ND1-CE2 3.19Å; H366-Y370 WeakPolarHBondContact ND1-CE2 3.33Å; H366-Y370 AromaticContact ND1-CZ 3.44Å; H366-Y370 WeakPolarHBondContact O-CB 3.45Å; H366-Y370 WeakPolarHBondContact O-CD2 3.28Å; H366-Y370 VanDerWaalsContact O-CG 3.29Å; H366-Y370 PolarHBondContact O-N 3.3Å
367I54.3Low66.3Low119 Ų11981.4 Ų81.461%0.6144%0.437SS*.Hα-helixtrans-63.6-45.7177.5-58.9176000110.5L363 D364 Y370 A371L363-I367 PolarHBondContact O-N 3.04Å; D364-I367 PolarHBondContact O-N 2.86Å; I367-Y370 PolarHBondContact O-N 3.49Å; I367-A371 PolarHBondContact O-N 3.47Å
368S53.3Low66.1Low69 Ų6984.8 Ų84.848%0.48345%0.448SS..Hα-helixtrans-65.9-40.6178.5-57.40000112.6D364 A371 V372D364-S368 WeakPolarHBondContact O-CB 3.5Å; D364-S368 PolarHBondContact O-N 2.86Å; D364-S368 PolarHBondContact O-OG 3.22Å; S368-A371 WeakPolarHBondContact O-CB 3.48Å; S368-A371 PolarHBondContact O-N 2.94Å; S368-V372 WeakPolarHBondContact O-CG2 3.48Å; S368-V372 PolarHBondContact O-N 3.16Å; S368-V372 VanDerWaalsContact O-N 3.08Å
369Q53.6Low66.2Low99 Ų9987 Ų8746%0.46345%0.453SS..Hα-helixtrans-72.7-30.7173.9-71.7175.48.600112.2S365 H366 A371 V372 I373S365-Q369 WeakPolarHBondContact O-CB 3.44Å; S365-Q369 WeakPolarHBondContact O-CG 3.47Å; S365-Q369 PolarHBondContact O-N 2.68Å; S365-Q369 PolarHBondContact OG-NE2 2.9Å; H366-Q369 PolarHBondContact O-N 3.36Å; Q369-A371 VanDerWaalsContact C-N 3.33Å; Q369-V372 CarbonylContact O-C 3.6Å; Q369-V372 PolarHBondContact O-N 3.1Å; Q369-I373 HydrophobicContact CB-CD1 4.35Å; Q369-I373 WeakPolarHBondContact O-CB 3.28Å; Q369-I373 WeakPolarHBondContact O-CD1 3.41Å; Q369-I373 WeakPolarHBondContact O-CG1 3.37Å; Q369-I373 PolarHBondContact O-N 3.2Å
370Y58.2Low66.2Low133 Ų13390.2 Ų90.252%0.52247%0.466SS..Hα-helixtrans-63.7-40.5170.2-78.5-53.5000110.7H366 I367 V372 I373 C374H366-Y370 HydrophobicContact CB-CD2 4.4Å; H366-Y370 HydrophobicContact CB-CE2 4.2Å; H366-Y370 AromaticContact CE1-CZ 3.96Å; H366-Y370 AromaticContact ND1-CD2 3.92Å; H366-Y370 AromaticContact ND1-CE2 3.19Å; H366-Y370 WeakPolarHBondContact ND1-CE2 3.33Å; H366-Y370 AromaticContact ND1-CZ 3.44Å; H366-Y370 WeakPolarHBondContact O-CB 3.45Å; H366-Y370 WeakPolarHBondContact O-CD2 3.28Å; H366-Y370 VanDerWaalsContact O-CG 3.29Å; H366-Y370 PolarHBondContact O-N 3.3Å; I367-Y370 PolarHBondContact O-N 3.49Å; Y370-V372 PolarHBondContact O-N 3.31Å; Y370-I373 PolarHBondContact O-N 3.21Å; Y370-C374 WeakPolarHBondContact O-CB 3.46Å; Y370-C374 PolarHBondContact O-N 3.27Å; Y370-C374 PolarHBondContact O-SG 3.33Å
371A67.2Low66.4Low64 Ų6490.8 Ų90.853%0.52947%0.466SS..Hα-helixtrans-58.6-47.2171.300000111.8I367 S368 Q369 E375I367-A371 PolarHBondContact O-N 3.47Å; S368-A371 WeakPolarHBondContact O-CB 3.48Å; S368-A371 PolarHBondContact O-N 2.94Å; Q369-A371 VanDerWaalsContact C-N 3.33Å; A371-E375 WeakPolarHBondContact O-CB 3.16Å; A371-E375 PolarHBondContact O-N 3.04Å
372V70.6Confident67.4Low102 Ų10292.9 Ų92.962%0.61847%0.474SS*.Hα-helixtrans-68.3-36.4178.4173.90000113.1S368 Q369 Y370 K376S368-V372 WeakPolarHBondContact O-CG2 3.48Å; S368-V372 PolarHBondContact O-N 3.16Å; S368-V372 VanDerWaalsContact O-N 3.08Å; Q369-V372 CarbonylContact O-C 3.6Å; Q369-V372 PolarHBondContact O-N 3.1Å; Y370-V372 PolarHBondContact O-N 3.31Å; V372-K376 VanDerWaalsContact O-CB 3.25Å; V372-K376 WeakPolarHBondContact O-CB 3.12Å; V372-K376 PolarHBondContact O-N 3.42Å
373I70.3Confident68.7Low75 Ų7596.4 Ų96.439%0.38549%0.487SS..Hα-helixtrans-71.6-45.9177.7-71.8164.2000109.8Q369 Y370 E375 K376 Q377Q369-I373 HydrophobicContact CB-CD1 4.35Å; Q369-I373 WeakPolarHBondContact O-CB 3.28Å; Q369-I373 WeakPolarHBondContact O-CD1 3.41Å; Q369-I373 WeakPolarHBondContact O-CG1 3.37Å; Q369-I373 PolarHBondContact O-N 3.2Å; Y370-I373 PolarHBondContact O-N 3.21Å; I373-E375 VanDerWaalsContact C-N 3.33Å; I373-E375 PolarHBondContact O-N 3.34Å; I373-K376 PolarHBondContact O-N 2.95Å; I373-Q377 HydrophobicContact CG2-CG 4.39Å; I373-Q377 VanDerWaalsContact O-CB 3.29Å; I373-Q377 WeakPolarHBondContact O-CB 3.43Å; I373-Q377 VanDerWaalsContact O-CG 3.24Å; I373-Q377 WeakPolarHBondContact O-CG 3.48Å; I373-Q377 PolarHBondContact O-N 3.45Å
374C67.9Low70.1Confident69 Ų6996.9 Ų96.947%0.46649%0.489SS..Hα-helixtrans-64.3-37.8174.8-70.60000111.4Y370 R378Y370-C374 WeakPolarHBondContact O-CB 3.46Å; Y370-C374 PolarHBondContact O-N 3.27Å; Y370-C374 PolarHBondContact O-SG 3.33Å; C374-R378 WeakPolarHBondContact O-CB 3.13Å; C374-R378 PolarHBondContact O-N 3.21Å
375E76.6Confident71.6Confident89 Ų8999.3 Ų99.342%0.41650%0.496SS..Hα-helixtrans-67.5-43.6174.8-176.452.7-148.300111.4A371 I373 Q377 R378 Q379A371-E375 WeakPolarHBondContact O-CB 3.16Å; A371-E375 PolarHBondContact O-N 3.04Å; I373-E375 VanDerWaalsContact C-N 3.33Å; I373-E375 PolarHBondContact O-N 3.34Å; E375-Q377 PolarHBondContact O-N 3.21Å; E375-R378 WeakPolarHBondContact O-CB 3.49Å; E375-R378 PolarHBondContact O-N 3.09Å; E375-Q379 VanDerWaalsContact O-CG 3.3Å; E375-Q379 WeakPolarHBondContact O-CG 3.44Å; E375-Q379 PolarHBondContact O-N 3.22Å; E375-Q379 PolarHBondContact OE1-NE2 3.04Å
376K78.2Confident73.6Confident146 Ų146103.1 Ų103.164%0.63551%0.509SS*.Hα-helixtrans-62.4-43.9173.8-173.5178.9179-175.60112.2V372 I373 R378 Q379 E380V372-K376 VanDerWaalsContact O-CB 3.25Å; V372-K376 WeakPolarHBondContact O-CB 3.12Å; V372-K376 PolarHBondContact O-N 3.42Å; I373-K376 PolarHBondContact O-N 2.95Å; K376-R378 VanDerWaalsContact C-N 3.32Å; K376-R378 PolarHBondContact O-N 2.89Å; K376-Q379 PolarHBondContact O-N 3.42Å; K376-E380 WeakPolarHBondContact O-CB 3.25Å; K376-E380 PolarHBondContact O-N 3.05Å
377Q71.6Confident75.3Confident100 Ų100105.8 Ų105.847%0.46752%0.52SS..Hα-helixtrans-64.4-35.7173.8-75.6173.9-21.200111.6I373 E375 E380 I381I373-Q377 HydrophobicContact CG2-CG 4.39Å; I373-Q377 VanDerWaalsContact O-CB 3.29Å; I373-Q377 WeakPolarHBondContact O-CB 3.43Å; I373-Q377 VanDerWaalsContact O-CG 3.24Å; I373-Q377 WeakPolarHBondContact O-CG 3.48Å; I373-Q377 PolarHBondContact O-N 3.45Å; E375-Q377 PolarHBondContact O-N 3.21Å; Q377-E380 PolarHBondContact O-N 3.49Å; Q377-I381 VanDerWaalsContact O-CB 3.25Å; Q377-I381 WeakPolarHBondContact O-CB 3.36Å; Q377-I381 WeakPolarHBondContact O-CD1 3.19Å; Q377-I381 WeakPolarHBondContact O-CG1 3.48Å; Q377-I381 PolarHBondContact O-N 3.35Å
378R81.2Confident76.6Confident167 Ų167104.7 Ų104.763%0.6352%0.515SS*.Hα-helixtrans-67.8-40.4175.8-171.4-178.2-166100.7-1.3111.1C374 E375 K376 L382C374-R378 WeakPolarHBondContact O-CB 3.13Å; C374-R378 PolarHBondContact O-N 3.21Å; E375-R378 WeakPolarHBondContact O-CB 3.49Å; E375-R378 PolarHBondContact O-N 3.09Å; K376-R378 VanDerWaalsContact C-N 3.32Å; K376-R378 PolarHBondContact O-N 2.89Å; R378-L382 HydrophobicContact CG-CD1 4.49Å; R378-L382 WeakPolarHBondContact O-CB 3.31Å; R378-L382 VanDerWaalsContact O-CG 3.23Å; R378-L382 WeakPolarHBondContact O-CG 3.19Å; R378-L382 PolarHBondContact O-N 2.88Å
379Q86.4Confident78Confident93 Ų93106.8 Ų106.844%0.43552%0.515SS..Hα-helixtrans-66.2-41.9172.5-70.3171.41600111.8E375 K376 L382 Q383E375-Q379 VanDerWaalsContact O-CG 3.3Å; E375-Q379 WeakPolarHBondContact O-CG 3.44Å; E375-Q379 PolarHBondContact O-N 3.22Å; E375-Q379 PolarHBondContact OE1-NE2 3.04Å; K376-Q379 PolarHBondContact O-N 3.42Å; Q379-L382 PolarHBondContact O-N 3.37Å; Q379-Q383 WeakPolarHBondContact O-CG 3.42Å; Q379-Q383 PolarHBondContact O-N 3.16Å
380E83.6Confident79.4Confident111 Ų111105.5 Ų105.552%0.51951%0.509SS..Hα-helixtrans-63.8-45.3174.7-175.1162.3-140.200111.5K376 Q377 L382 Q383 L384K376-E380 WeakPolarHBondContact O-CB 3.25Å; K376-E380 PolarHBondContact O-N 3.05Å; Q377-E380 PolarHBondContact O-N 3.49Å; E380-L382 VanDerWaalsContact C-N 3.33Å; E380-L382 PolarHBondContact O-N 2.97Å; E380-Q383 PolarHBondContact O-N 2.82Å; E380-L384 HydrophobicContact CG-CD1 4.08Å; E380-L384 WeakPolarHBondContact O-CB 3.38Å; E380-L384 VanDerWaalsContact O-CG 3.26Å; E380-L384 WeakPolarHBondContact O-CG 3.42Å; E380-L384 PolarHBondContact O-N 3.31Å
381I84.5Confident80.1Confident87 Ų87106.6 Ų106.645%0.44651%0.513SS..Hα-helixtrans-61.7-38172.4-72.5164.2000111.4Q377 K385Q377-I381 VanDerWaalsContact O-CB 3.25Å; Q377-I381 WeakPolarHBondContact O-CB 3.36Å; Q377-I381 WeakPolarHBondContact O-CD1 3.19Å; Q377-I381 WeakPolarHBondContact O-CG1 3.48Å; Q377-I381 PolarHBondContact O-N 3.35Å; I381-K385 HydrophobicContact CG2-CD 3.99Å; I381-K385 HydrophobicContact CG2-CG 4.42Å; I381-K385 VanDerWaalsContact O-CB 3.23Å; I381-K385 WeakPolarHBondContact O-CB 3.24Å; I381-K385 WeakPolarHBondContact O-CG 3.27Å; I381-K385 PolarHBondContact O-N 2.91Å
382L90.8Very high80.3Confident106 Ų106109.3 Ų109.356%0.55552%0.515SS*.Hα-helixtrans-66.5-44.4174.6-79.3165.5000111.6R378 Q379 E380 K385 Q386R378-L382 HydrophobicContact CG-CD1 4.49Å; R378-L382 WeakPolarHBondContact O-CB 3.31Å; R378-L382 VanDerWaalsContact O-CG 3.23Å; R378-L382 WeakPolarHBondContact O-CG 3.19Å; R378-L382 PolarHBondContact O-N 2.88Å; Q379-L382 PolarHBondContact O-N 3.37Å; E380-L382 VanDerWaalsContact C-N 3.33Å; E380-L382 PolarHBondContact O-N 2.97Å; L382-K385 PolarHBondContact O-N 2.61Å; L382-Q386 WeakPolarHBondContact O-CB 3.4Å; L382-Q386 PolarHBondContact O-N 3.46Å
383Q87.4Confident80.3Confident114 Ų114108.9 Ų108.953%0.53351%0.506SS..Hα-helixtrans-65.6-39.7176.1-71.7177.521.700112.3Q379 E380 Q386 K387Q379-Q383 WeakPolarHBondContact O-CG 3.42Å; Q379-Q383 PolarHBondContact O-N 3.16Å; E380-Q383 PolarHBondContact O-N 2.82Å; Q383-Q386 PolarHBondContact O-N 3.26Å; Q383-K387 WeakPolarHBondContact O-CB 3.26Å; Q383-K387 VanDerWaalsContact O-CG 3.28Å; Q383-K387 WeakPolarHBondContact O-CG 3.48Å; Q383-K387 PolarHBondContact O-N 3.35Å
384L85.5Confident80Confident94 Ų94111.9 Ų111.949%0.49252%0.516SS..Hα-helixtrans-67.5-41.1175-71.5169.4000111.3E380 K387 L388E380-L384 HydrophobicContact CG-CD1 4.08Å; E380-L384 WeakPolarHBondContact O-CB 3.38Å; E380-L384 VanDerWaalsContact O-CG 3.26Å; E380-L384 WeakPolarHBondContact O-CG 3.42Å; E380-L384 PolarHBondContact O-N 3.31Å; L384-K387 PolarHBondContact O-N 3.19Å; L384-L388 WeakPolarHBondContact O-CB 3.39Å; L384-L388 WeakPolarHBondContact O-CG 3.48Å; L384-L388 PolarHBondContact O-N 3.03Å
385K84.8Confident79.3Confident132 Ų132111.4 Ų111.457%0.57451%0.509SS*.Hα-helixtrans-65.3-37.1172.9-78.1178.5177.2-173.50112.8I381 L382 K389I381-K385 HydrophobicContact CG2-CD 3.99Å; I381-K385 HydrophobicContact CG2-CG 4.42Å; I381-K385 VanDerWaalsContact O-CB 3.23Å; I381-K385 WeakPolarHBondContact O-CB 3.24Å; I381-K385 WeakPolarHBondContact O-CG 3.27Å; I381-K385 PolarHBondContact O-N 2.91Å; L382-K385 PolarHBondContact O-N 2.61Å; K385-K389 VanDerWaalsContact O-CB 3.31Å; K385-K389 WeakPolarHBondContact O-CB 3.35Å; K385-K389 PolarHBondContact O-N 2.91Å
386Q89.4Confident78.2Confident120 Ų120109.4 Ų109.456%0.56151%0.508SS*.Hα-helixtrans-67.1-45.8173.8-175.3-179.3-28.100110.9L382 Q383 L388 K389 E390L382-Q386 WeakPolarHBondContact O-CB 3.4Å; L382-Q386 PolarHBondContact O-N 3.46Å; Q383-Q386 PolarHBondContact O-N 3.26Å; Q386-L388 VanDerWaalsContact C-N 3.32Å; Q386-L388 PolarHBondContact O-N 3.49Å; Q386-K389 PolarHBondContact O-N 3.02Å; Q386-E390 HydrophobicContact CG-CG 4.46Å; Q386-E390 WeakPolarHBondContact CG-OE1 3.36Å; Q386-E390 PolarHBondContact NE2-OE1 3.4Å; Q386-E390 WeakPolarHBondContact O-CB 3.41Å; Q386-E390 WeakPolarHBondContact O-CG 3.46Å; Q386-E390 PolarHBondContact O-N 3.43Å
387K85.5Confident77Confident132 Ų132108.5 Ų108.557%0.57451%0.514SS*.Hα-helixtrans-60.3-40.4174.8-74.2170.5-177.9175.60112.2Q383 L384 Y391Q383-K387 WeakPolarHBondContact O-CB 3.26Å; Q383-K387 VanDerWaalsContact O-CG 3.28Å; Q383-K387 WeakPolarHBondContact O-CG 3.48Å; Q383-K387 PolarHBondContact O-N 3.35Å; L384-K387 PolarHBondContact O-N 3.19Å; K387-Y391 VanDerWaalsContact O-CB 3.25Å; K387-Y391 WeakPolarHBondContact O-CB 3.31Å; K387-Y391 PolarHBondContact O-N 3.22Å
388L81Confident75.9Confident97 Ų97107.9 Ų107.951%0.50853%0.526SS..Hα-helixtrans-61.9-49.9172.1-81.7166.6000111.2L384 Q386 E390 Y391 E392L384-L388 WeakPolarHBondContact O-CB 3.39Å; L384-L388 WeakPolarHBondContact O-CG 3.48Å; L384-L388 PolarHBondContact O-N 3.03Å; Q386-L388 VanDerWaalsContact C-N 3.32Å; Q386-L388 PolarHBondContact O-N 3.49Å; L388-E390 VanDerWaalsContact C-N 3.34Å; L388-E390 PolarHBondContact O-N 3.28Å; L388-Y391 CarbonylContact O-C 3.59Å; L388-Y391 WeakPolarHBondContact O-CA 3.12Å; L388-Y391 WeakPolarHBondContact O-CB 3.4Å; L388-Y391 PolarHBondContact O-N 3.36Å; L388-E392 WeakPolarHBondContact O-CB 3.23Å; L388-E392 VanDerWaalsContact O-CG 3.31Å; L388-E392 WeakPolarHBondContact O-CG 3.23Å; L388-E392 PolarHBondContact O-N 3.14Å
389K83.6Confident74.3Confident112 Ų112103.7 Ų103.749%0.48752%0.523SS..Hα-helixtrans-59.8-42.1177.9-174.5174.6179.1-65.80112.3K385 Q386 Y391 E392 E393K385-K389 VanDerWaalsContact O-CB 3.31Å; K385-K389 WeakPolarHBondContact O-CB 3.35Å; K385-K389 PolarHBondContact O-N 2.91Å; Q386-K389 PolarHBondContact O-N 3.02Å; K389-Y391 VanDerWaalsContact C-N 3.31Å; K389-Y391 PolarHBondContact O-N 2.9Å; K389-E392 PolarHBondContact O-N 3.28Å; K389-E393 IonicContact NZ-OE1 3.57Å; K389-E393 PolarHBondContact NZ-OE1 3.41Å; K389-E393 IonicContact NZ-OE2 3.52Å; K389-E393 PolarHBondContact NZ-OE2 2.85Å; K389-E393 VanDerWaalsContact O-CB 3.3Å; K389-E393 WeakPolarHBondContact O-CB 3.18Å; K389-E393 VanDerWaalsContact O-CG 3.25Å; K389-E393 WeakPolarHBondContact O-CG 3.26Å; K389-E393 PolarHBondContact O-N 3Å
390E82.6Confident72.4Confident72 Ų72106 Ų10634%0.33654%0.538SS..Hα-helixtrans-66.2-31.5174.3-73.9179.2-148.400112.7Q386 L388 K394Q386-E390 HydrophobicContact CG-CG 4.46Å; Q386-E390 WeakPolarHBondContact CG-OE1 3.36Å; Q386-E390 PolarHBondContact NE2-OE1 3.4Å; Q386-E390 WeakPolarHBondContact O-CB 3.41Å; Q386-E390 WeakPolarHBondContact O-CG 3.46Å; Q386-E390 PolarHBondContact O-N 3.43Å; L388-E390 VanDerWaalsContact C-N 3.34Å; L388-E390 PolarHBondContact O-N 3.28Å; E390-K394 WeakPolarHBondContact O-CB 3.24Å; E390-K394 WeakPolarHBondContact O-CD 3.26Å; E390-K394 WeakPolarHBondContact O-CG 3.43Å; E390-K394 PolarHBondContact O-N 3.13Å; E390-K394 VanDerWaalsContact O-N 3.08Å; E390-K394 IonicContact OE2-NZ 2.88Å; E390-K394 PolarHBondContact OE2-NZ 2.81Å
391Y72.9Confident70.7Confident157 Ų157107.2 Ų107.262%0.61655%0.553SS**Hα-helixtrans-76.4-40.1175.7-170-98.3000111.5K387 L388 K389 K394 N395K387-Y391 VanDerWaalsContact O-CB 3.25Å; K387-Y391 WeakPolarHBondContact O-CB 3.31Å; K387-Y391 PolarHBondContact O-N 3.22Å; L388-Y391 CarbonylContact O-C 3.59Å; L388-Y391 WeakPolarHBondContact O-CA 3.12Å; L388-Y391 WeakPolarHBondContact O-CB 3.4Å; L388-Y391 PolarHBondContact O-N 3.36Å; K389-Y391 VanDerWaalsContact C-N 3.31Å; K389-Y391 PolarHBondContact O-N 2.9Å; Y391-K394 PolarHBondContact O-N 2.96Å; Y391-N395 VanDerWaalsContact CD1-ND2 3.28Å; Y391-N395 WeakPolarHBondContact CD1-ND2 3.29Å; Y391-N395 WeakPolarHBondContact CE1-ND2 3.31Å; Y391-N395 WeakPolarHBondContact O-CB 3.43Å; Y391-N395 PolarHBondContact O-N 3.32Å; Y391-N395 PolarHBondContact O-ND2 3.43Å
392E72.3Confident69Low120 Ų120109 Ų10956%0.56156%0.562SS**Hα-helixtrans-63-43.1171.9-73.4168.8179.700111L388 K389 N395 A396L388-E392 WeakPolarHBondContact O-CB 3.23Å; L388-E392 VanDerWaalsContact O-CG 3.31Å; L388-E392 WeakPolarHBondContact O-CG 3.23Å; L388-E392 PolarHBondContact O-N 3.14Å; K389-E392 PolarHBondContact O-N 3.28Å; E392-N395 PolarHBondContact O-N 3.2Å; E392-A396 VanDerWaalsContact O-CB 3.23Å; E392-A396 WeakPolarHBondContact O-CB 3.27Å; E392-A396 PolarHBondContact O-N 3.41Å
393E70.6Confident67.3Low94 Ų94106.5 Ų106.544%0.43955%0.554SS.*Hα-helixtrans-66.9-42176-75.8171.1164.400112K389 N395 A396 V397K389-E393 IonicContact NZ-OE1 3.57Å; K389-E393 PolarHBondContact NZ-OE1 3.41Å; K389-E393 IonicContact NZ-OE2 3.52Å; K389-E393 PolarHBondContact NZ-OE2 2.85Å; K389-E393 VanDerWaalsContact O-CB 3.3Å; K389-E393 WeakPolarHBondContact O-CB 3.18Å; K389-E393 VanDerWaalsContact O-CG 3.25Å; K389-E393 WeakPolarHBondContact O-CG 3.26Å; K389-E393 PolarHBondContact O-N 3Å; E393-N395 VanDerWaalsContact C-N 3.3Å; E393-N395 PolarHBondContact O-N 3.42Å; E393-A396 PolarHBondContact O-N 3.14Å; E393-V397 WeakPolarHBondContact O-CG2 3.41Å; E393-V397 PolarHBondContact O-N 2.83Å
394K63.2Low65.8Low137 Ų137106 Ų10660%0.59656%0.563SS**Hα-helixtrans-62.6-35.8173.6-74.1161.7-165.71540112.1E390 Y391E390-K394 WeakPolarHBondContact O-CB 3.24Å; E390-K394 WeakPolarHBondContact O-CD 3.26Å; E390-K394 WeakPolarHBondContact O-CG 3.43Å; E390-K394 PolarHBondContact O-N 3.13Å; E390-K394 VanDerWaalsContact O-N 3.08Å; E390-K394 IonicContact OE2-NZ 2.88Å; E390-K394 PolarHBondContact OE2-NZ 2.81Å; Y391-K394 PolarHBondContact O-N 2.96Å
395N54.1Low64.4Low59 Ų59108.3 Ų108.332%0.31657%0.571SS.*Hα-helixtrans-75.9-37.9173.8-74.4-48.3000113Y391 E392 E393 A398 S399Y391-N395 VanDerWaalsContact CD1-ND2 3.28Å; Y391-N395 WeakPolarHBondContact CD1-ND2 3.29Å; Y391-N395 WeakPolarHBondContact CE1-ND2 3.31Å; Y391-N395 WeakPolarHBondContact O-CB 3.43Å; Y391-N395 PolarHBondContact O-N 3.32Å; Y391-N395 PolarHBondContact O-ND2 3.43Å; E392-N395 PolarHBondContact O-N 3.2Å; E393-N395 VanDerWaalsContact C-N 3.3Å; E393-N395 PolarHBondContact O-N 3.42Å; N395-A398 CarbonylContact O-C 3.55Å; N395-A398 WeakPolarHBondContact O-CA 3.37Å; N395-A398 WeakPolarHBondContact O-CB 3.23Å; N395-A398 PolarHBondContact O-N 2.73Å; N395-A398 VanDerWaalsContact O-N 3.1Å; N395-S399 WeakPolarHBondContact O-CB 3.37Å; N395-S399 PolarHBondContact O-N 2.83Å
396A53.4Low63.3Low48 Ų48105.9 Ų105.940%0.39756%0.561SS.*Hα-helixtrans-65.8-41.3179.900000111.9E392 E393 A398 S399 N400E392-A396 VanDerWaalsContact O-CB 3.23Å; E392-A396 WeakPolarHBondContact O-CB 3.27Å; E392-A396 PolarHBondContact O-N 3.41Å; E393-A396 PolarHBondContact O-N 3.14Å; A396-A398 PolarHBondContact O-N 2.77Å; A396-S399 PolarHBondContact O-N 2.94Å; A396-N400 PolarHBondContact O-ND2 2.84Å
397V52.3Low62.1Low126 Ų126107.2 Ų107.276%0.76457%0.567SS**Hα-helixtrans-61.3-27.1173172.80000111.8E393E393-V397 WeakPolarHBondContact O-CG2 3.41Å; E393-V397 PolarHBondContact O-N 2.83Å
398A48.9Very low61.3Low87 Ų87103.5 Ų103.572%0.71956%0.561SS**THydrogen-bonded Turntrans-86.5-7.9175.300000114.9N395 A396N395-A398 CarbonylContact O-C 3.55Å; N395-A398 WeakPolarHBondContact O-CA 3.37Å; N395-A398 WeakPolarHBondContact O-CB 3.23Å; N395-A398 PolarHBondContact O-N 2.73Å; N395-A398 VanDerWaalsContact O-N 3.1Å; A396-A398 PolarHBondContact O-N 2.77Å
399S47.9Very low60.9Low80 Ų80102.7 Ų102.756%0.55955%0.554SS**THydrogen-bonded Turntrans-111.2-8.6-166.7-152.10000115.5N395 A396 T401N395-S399 WeakPolarHBondContact O-CB 3.37Å; N395-S399 PolarHBondContact O-N 2.83Å; A396-S399 PolarHBondContact O-N 2.94Å; S399-T401 PolarHBondContact O-N 3.24Å
400N45.5Very low60.5Low140 Ų140100 Ų10075%0.74954%0.543SS*.THydrogen-bonded Turntrans-74.418.6-165.3-83.1-23.8000117.8A396A396-N400 PolarHBondContact O-ND2 2.84Å
401T47.7Very low60.4Low137 Ų137102.6 Ų102.684%0.8455%0.553SS**THydrogen-bonded Turntrans-138.25.9-178.2-21.20000116S399S399-T401 PolarHBondContact O-N 3.24Å
402I48.8Very low61Low124 Ų124102.4 Ų102.464%0.63655%0.551SS**SBendtrans-132.6101.1-176.2-55.7-175.7000114.5K406I402-K406 HydrophobicContact CG2-CD 4.04Å
403S54.8Low61.5Low54 Ų5497.3 Ų97.338%0.37853%0.529SS..  trans61.8102144.6-163.30000120.5Q405 K406S403-Q405 PolarHBondContact O-N 3.29Å; S403-Q405 WeakPolarHBondContact OG-CB 3.42Å; S403-Q405 PolarHBondContact OG-N 3.03Å; S403-K406 PolarHBondContact O-N 3.17Å; S403-K406 PolarHBondContact OG-N 3.27Å; S403-K406 VanDerWaalsContact OG-N 3.15Å
404S57.1Low62.2Low103 Ų10394.7 Ų94.772%0.7252%0.52SS*.Hα-helixtrans-60.2-22.515852.80000113.8A408S404-A408 PolarHBondContact O-N 3.3Å
405Q56.7Low63.3Low144 Ų14493 Ų9367%0.67352%0.515SS*.Hα-helixtrans-74.7-37.9-177.3-161.8169.4-3.200111.9S403 Q407 A408 E409S403-Q405 PolarHBondContact O-N 3.29Å; S403-Q405 WeakPolarHBondContact OG-CB 3.42Å; S403-Q405 PolarHBondContact OG-N 3.03Å; Q405-Q407 VanDerWaalsContact C-N 3.32Å; Q405-Q407 PolarHBondContact O-N 3.32Å; Q405-A408 PolarHBondContact O-N 3.14Å; Q405-E409 PolarHBondContact O-N 2.95Å
406K60.5Low64.9Low80 Ų8091.9 Ų91.935%0.34851%0.513SS..Hα-helixtrans-62.9-36.4172.7-70.9-177.5-175.7-179.80112.4I402 S403 A408 E409 F410 N516I402-K406 HydrophobicContact CG2-CD 4.04Å; S403-K406 PolarHBondContact O-N 3.17Å; S403-K406 PolarHBondContact OG-N 3.27Å; S403-K406 VanDerWaalsContact OG-N 3.15Å; K406-A408 VanDerWaalsContact C-N 3.3Å; K406-A408 PolarHBondContact O-N 3.44Å; K406-E409 PolarHBondContact O-N 3.39Å; K406-E409 VanDerWaalsContact O-N 3.14Å; K406-F410 PolarHBondContact O-N 2.93Å; K406-N516 PolarHBondContact NZ-OD1 3.25Å
407Q64.4Low66.5Low148 Ų14889.6 Ų89.669%0.69250%0.495SS*.Hα-helixtrans-65.5-33.9178.3-160.7176.328.400112.2Q405 K411Q405-Q407 VanDerWaalsContact C-N 3.32Å; Q405-Q407 PolarHBondContact O-N 3.32Å; Q407-K411 WeakPolarHBondContact O-CB 3.35Å; Q407-K411 PolarHBondContact O-N 2.93Å; Q407-K411 VanDerWaalsContact O-N 3.11Å
408A69.1Low68.1Low54 Ų5489.2 Ų89.245%0.44649%0.485SS..Hα-helixtrans-70.4-30.3172.800000113S404 Q405 K406 R412S404-A408 PolarHBondContact O-N 3.3Å; Q405-A408 PolarHBondContact O-N 3.14Å; K406-A408 VanDerWaalsContact C-N 3.3Å; K406-A408 PolarHBondContact O-N 3.44Å; A408-R412 WeakPolarHBondContact O-CG 3.37Å; A408-R412 PolarHBondContact O-N 3.31Å; A408-R412 VanDerWaalsContact O-N 3.13Å
409E72Confident70.1Confident80 Ų8088.9 Ų88.937%0.37448%0.477SS..Hα-helixtrans-73.3-47.6174.2-86.9171.5176.800112.8Q405 K406 K411 R412 V413Q405-E409 PolarHBondContact O-N 2.95Å; K406-E409 PolarHBondContact O-N 3.39Å; K406-E409 VanDerWaalsContact O-N 3.14Å; E409-K411 VanDerWaalsContact C-N 3.27Å; E409-K411 PolarHBondContact O-N 2.82Å; E409-R412 PolarHBondContact O-N 2.94Å; E409-R412 IonicContact OE1-NH2 3.24Å; E409-R412 PolarHBondContact OE1-NH2 3.48Å; E409-R412 VanDerWaalsContact OE1-NH2 3.09Å; E409-V413 PolarHBondContact O-N 2.85Å
410F75.3Confident72.1Confident56 Ų5685.8 Ų85.825%0.24645%0.454CS..Hα-helixtrans-51.6-47.6171.6178-86.1000111.5K406 V413 S414 T519 V522 L523K406-F410 PolarHBondContact O-N 2.93Å; F410-V413 PolarHBondContact O-N 3.47Å; F410-S414 WeakPolarHBondContact O-CB 3.2Å; F410-S414 PolarHBondContact O-N 2.81Å; F410-T519 HydrophobicContact CD2-CG2 4.26Å; F410-V522 HydrophobicContact CE2-CB 4.11Å; F410-V522 HydrophobicContact CE2-CG1 4.09Å; F410-V522 HydrophobicContact CZ-CB 4.32Å; F410-V522 HydrophobicContact CZ-CG1 3.78Å; F410-L523 HydrophobicContact CD2-CD1 3.93Å; F410-L523 HydrophobicContact CD2-CD2 4.09Å; F410-L523 HydrophobicContact CD2-CG 3.87Å; F410-L523 HydrophobicContact CE2-CD1 4.2Å; F410-L523 HydrophobicContact CE2-CD2 3.76Å; F410-L523 HydrophobicContact CE2-CG 3.61Å; F410-L523 HydrophobicContact CZ-CD2 4.07Å; F410-L523 HydrophobicContact CZ-CG 4.38Å
411K80.6Confident74.3Confident127 Ų12779.9 Ų79.955%0.55242%0.421SS*.Hα-helixtrans-63.5-44.2179.4-176.5167.9174173.10112.8Q407 E409 V413 S414 E415Q407-K411 WeakPolarHBondContact O-CB 3.35Å; Q407-K411 PolarHBondContact O-N 2.93Å; Q407-K411 VanDerWaalsContact O-N 3.11Å; E409-K411 VanDerWaalsContact C-N 3.27Å; E409-K411 PolarHBondContact O-N 2.82Å; K411-V413 VanDerWaalsContact C-N 3.33Å; K411-V413 PolarHBondContact O-N 2.95Å; K411-S414 PolarHBondContact O-N 2.93Å; K411-E415 WeakPolarHBondContact CE-OE1 3.21Å; K411-E415 HydrophobicContact CG-CG 4.38Å; K411-E415 IonicContact NZ-OE1 2.58Å; K411-E415 WeakPolarHBondContact O-CB 3.33Å; K411-E415 WeakPolarHBondContact O-CG 3.41Å; K411-E415 PolarHBondContact O-N 3.35Å
412R85.7Confident76.2Confident153 Ų15376.7 Ų76.758%0.57741%0.405SS*.Hα-helixtrans-58.6-42.8176-79.3-171-69.2155.6-7.5112.4A408 E409 A416A408-R412 WeakPolarHBondContact O-CG 3.37Å; A408-R412 PolarHBondContact O-N 3.31Å; A408-R412 VanDerWaalsContact O-N 3.13Å; E409-R412 PolarHBondContact O-N 2.94Å; E409-R412 IonicContact OE1-NH2 3.24Å; E409-R412 PolarHBondContact OE1-NH2 3.48Å; E409-R412 VanDerWaalsContact OE1-NH2 3.09Å; R412-A416 WeakPolarHBondContact O-CB 3.28Å; R412-A416 PolarHBondContact O-N 2.61Å
413V83.4Confident78.2Confident13 Ų1373.2 Ų73.28%0.07939%0.391CS..Hα-helixtrans-70.1-39.9-179.8175.60000111.3E409 F410 K411 A416 L417 V506 I510 L513 L523E409-V413 PolarHBondContact O-N 2.85Å; F410-V413 PolarHBondContact O-N 3.47Å; K411-V413 VanDerWaalsContact C-N 3.33Å; K411-V413 PolarHBondContact O-N 2.95Å; V413-A416 PolarHBondContact O-N 3.19Å; V413-L417 WeakPolarHBondContact O-CB 3.46Å; V413-L417 PolarHBondContact O-N 2.96Å; V413-V506 HydrophobicContact CG1-CG1 4.13Å; V413-I510 HydrophobicContact CG1-CD1 4.26Å; V413-I510 HydrophobicContact CG1-CG1 3.71Å; V413-L513 HydrophobicContact CG2-CD1 4.07Å; V413-L523 HydrophobicContact CB-CD1 4.36Å; V413-L523 HydrophobicContact CG1-CD1 3.98Å; V413-L523 HydrophobicContact CG1-CD2 4.43Å
414S84.6Confident79.9Confident38 Ų3872 Ų7227%0.26638%0.379SS..Hα-helixtrans-62.9-44.6174.3-174.60000112.4F410 K411 A416 L417 Q418F410-S414 WeakPolarHBondContact O-CB 3.2Å; F410-S414 PolarHBondContact O-N 2.81Å; K411-S414 PolarHBondContact O-N 2.93Å; S414-A416 PolarHBondContact O-N 2.91Å; S414-L417 WeakPolarHBondContact O-CB 3.37Å; S414-L417 PolarHBondContact O-N 3.35Å; S414-Q418 PolarHBondContact O-N 3.49Å
415E86.3Confident81.4Confident102 Ų10268.5 Ų68.548%0.47736%0.356SS..Hα-helixtrans-64.1-39.1175.7-72.3173.417000112.2K411 S419K411-E415 WeakPolarHBondContact CE-OE1 3.21Å; K411-E415 HydrophobicContact CG-CG 4.38Å; K411-E415 IonicContact NZ-OE1 2.58Å; K411-E415 WeakPolarHBondContact O-CB 3.33Å; K411-E415 WeakPolarHBondContact O-CG 3.41Å; K411-E415 PolarHBondContact O-N 3.35Å; E415-S419 WeakPolarHBondContact O-CB 3.44Å; E415-S419 PolarHBondContact O-N 2.86Å; E415-S419 VanDerWaalsContact O-N 3.07Å
416A87.1Confident83Confident35 Ų3567.9 Ų67.929%0.28935%0.353SS..Hα-helixtrans-64.9-43.4174.100000112.2R412 V413 S414 S419 I420 V506R412-A416 WeakPolarHBondContact O-CB 3.28Å; R412-A416 PolarHBondContact O-N 2.61Å; V413-A416 PolarHBondContact O-N 3.19Å; S414-A416 PolarHBondContact O-N 2.91Å; A416-S419 PolarHBondContact O-N 2.7Å; A416-I420 VanDerWaalsContact O-CG1 3.3Å; A416-I420 WeakPolarHBondContact O-CG1 3.28Å; A416-I420 PolarHBondContact O-N 2.75Å; A416-V506 HydrophobicContact CB-CG2 4.25Å
417L87.1Confident84.4Confident1 Ų164.7 Ų64.71%0.00534%0.339CS..Hα-helixtrans-57.8-52176-171.576.8000111V413 S414 S419 I420 F421 V506 I510 D526 L527V413-L417 WeakPolarHBondContact O-CB 3.46Å; V413-L417 PolarHBondContact O-N 2.96Å; S414-L417 WeakPolarHBondContact O-CB 3.37Å; S414-L417 PolarHBondContact O-N 3.35Å; L417-S419 VanDerWaalsContact C-N 3.31Å; L417-S419 PolarHBondContact O-N 3.05Å; L417-I420 PolarHBondContact O-N 3.38Å; L417-F421 HydrophobicContact CD1-CD2 4.05Å; L417-F421 HydrophobicContact CD1-CE2 3.76Å; L417-F421 HydrophobicContact CG-CD2 4.12Å; L417-F421 HydrophobicContact CG-CE2 4.25Å; L417-F421 WeakPolarHBondContact O-CD2 3.19Å; L417-F421 PolarHBondContact O-N 3.15Å; L417-V506 HydrophobicContact CD1-CG1 4.11Å; L417-I510 HydrophobicContact CD1-CD1 4.43Å; L417-D526 HydrophobicContact CD2-CB 3.95Å; L417-L527 HydrophobicContact CD1-CB 4.15Å; L417-L527 HydrophobicContact CD1-CD1 3.89Å; L417-L527 HydrophobicContact CD1-CG 4.17Å; L417-L527 HydrophobicContact CD2-CB 4.28Å
418Q87.6Confident85.6Confident118 Ų11858.8 Ų58.855%0.55131%0.311SS*.Hα-helixtrans-61.1-39.4-180-168.3-179.84500112S414 S422S414-Q418 PolarHBondContact O-N 3.49Å; Q418-S422 VanDerWaalsContact O-CB 3.27Å; Q418-S422 WeakPolarHBondContact O-CB 3.43Å; Q418-S422 PolarHBondContact O-N 2.87Å; Q418-S422 PolarHBondContact O-OG 2.92Å
419S90.1Very high86.4Confident79 Ų7962.4 Ų62.455%0.55231%0.313SS*.Hα-helixtrans-64.3-47175.7-175.80000112.4E415 A416 L417 S422 S423E415-S419 WeakPolarHBondContact O-CB 3.44Å; E415-S419 PolarHBondContact O-N 2.86Å; E415-S419 VanDerWaalsContact O-N 3.07Å; A416-S419 PolarHBondContact O-N 2.7Å; L417-S419 VanDerWaalsContact C-N 3.31Å; L417-S419 PolarHBondContact O-N 3.05Å; S419-S422 PolarHBondContact O-N 3.32Å; S419-S423 WeakPolarHBondContact O-CB 3.39Å; S419-S423 PolarHBondContact O-N 3.29Å
420I90.7Very high87.3Confident16 Ų1660.7 Ų60.78%0.08231%0.305CS..Hα-helixtrans-61.4-47.1178.4-71.4166.6000110.9A416 L417 S423 R424 N499 L502 L503 V506A416-I420 VanDerWaalsContact O-CG1 3.3Å; A416-I420 WeakPolarHBondContact O-CG1 3.28Å; A416-I420 PolarHBondContact O-N 2.75Å; L417-I420 PolarHBondContact O-N 3.38Å; I420-S423 PolarHBondContact O-N 2.95Å; I420-R424 WeakPolarHBondContact O-CB 3.35Å; I420-R424 PolarHBondContact O-N 2.96Å; I420-N499 PolarHBondContact O-ND2 3.1Å; I420-L502 HydrophobicContact CD1-CB 4.03Å; I420-L502 HydrophobicContact CG1-CB 4.21Å; I420-L503 HydrophobicContact CG2-CB 4.06Å; I420-L503 HydrophobicContact CG2-CD1 4.3Å; I420-V506 HydrophobicContact CD1-CB 4.19Å; I420-V506 HydrophobicContact CD1-CG2 3.48Å; I420-V506 VanDerWaalsContact CD1-CG2 3.48Å
421F89.9Confident87.9Confident15 Ų1559.3 Ų59.37%0.06630%0.299CS..Hα-helixtrans-69.5-35179.5-85.8-82.7000113L417 R424 A425 L503 H530 L534L417-F421 HydrophobicContact CD1-CD2 4.05Å; L417-F421 HydrophobicContact CD1-CE2 3.76Å; L417-F421 HydrophobicContact CG-CD2 4.12Å; L417-F421 HydrophobicContact CG-CE2 4.25Å; L417-F421 WeakPolarHBondContact O-CD2 3.19Å; L417-F421 PolarHBondContact O-N 3.15Å; F421-R424 PolarHBondContact O-N 3.37Å; F421-A425 VanDerWaalsContact O-CB 3.3Å; F421-A425 WeakPolarHBondContact O-CB 3.42Å; F421-A425 PolarHBondContact O-N 3.39Å; F421-L503 HydrophobicContact CD2-CD1 4.48Å; F421-L503 HydrophobicContact CE2-CD1 3.67Å; F421-L503 HydrophobicContact CZ-CD1 4.03Å; F421-L503 HydrophobicContact CZ-CD2 4.31Å; F421-H530 HydrophobicContact CB-CB 4.2Å; F421-H530 HydrophobicContact CD1-CB 3.7Å; F421-H530 HydrophobicContact CD2-CB 3.73Å; F421-H530 HydrophobicContact CE1-CB 3.89Å; F421-H530 HydrophobicContact CE2-CB 3.92Å; F421-H530 HydrophobicContact CG-CB 3.61Å; F421-H530 HydrophobicContact CZ-CB 4Å; F421-L534 HydrophobicContact CD1-CD1 4.37Å
422S88.6Confident88.1Confident70 Ų7053.3 Ų53.349%0.4927%0.273SS..Hα-helixtrans-61.2-45172.5-62.70000111.8Q418 S419 Q426Q418-S422 VanDerWaalsContact O-CB 3.27Å; Q418-S422 WeakPolarHBondContact O-CB 3.43Å; Q418-S422 PolarHBondContact O-N 2.87Å; Q418-S422 PolarHBondContact O-OG 2.92Å; S419-S422 PolarHBondContact O-N 3.32Å; S422-Q426 PolarHBondContact O-N 2.76Å; S422-Q426 VanDerWaalsContact O-N 3.09Å
423S91.3Very high88.2Confident51 Ų5148.8 Ų48.836%0.35726%0.261SS..Hα-helixtrans-63.4-46.6174.3178.60000111.8S419 I420 A425 Q426 I427S419-S423 WeakPolarHBondContact O-CB 3.39Å; S419-S423 PolarHBondContact O-N 3.29Å; I420-S423 PolarHBondContact O-N 2.95Å; S423-A425 PolarHBondContact O-N 3.42Å; S423-Q426 WeakPolarHBondContact O-CA 3.4Å; S423-Q426 WeakPolarHBondContact O-CB 3.35Å; S423-Q426 PolarHBondContact O-N 2.84Å; S423-I427 WeakPolarHBondContact O-CG1 3.49Å; S423-I427 PolarHBondContact O-N 2.75Å
424R90.1Very high88.5Confident30 Ų3048.4 Ų48.411%0.11326%0.258CS..Hα-helixtrans-58.5-45.1177.8-160177.3-177.3102.4-8.4111.8I420 F421 Q426 I427 R428 F496 N499 D500 L534I420-R424 WeakPolarHBondContact O-CB 3.35Å; I420-R424 PolarHBondContact O-N 2.96Å; F421-R424 PolarHBondContact O-N 3.37Å; R424-Q426 VanDerWaalsContact C-N 3.29Å; R424-Q426 PolarHBondContact O-N 3.45Å; R424-I427 PolarHBondContact O-N 3.01Å; R424-R428 VanDerWaalsContact O-CB 3.22Å; R424-R428 WeakPolarHBondContact O-CB 3.31Å; R424-R428 PolarHBondContact O-N 3.47Å; R424-F496 HydrophobicContact CG-CD2 4.36Å; R424-F496 HydrophobicContact CG-CE2 3.71Å; R424-F496 HydrophobicContact CG-CZ 4.2Å; R424-N499 WeakPolarHBondContact CB-OD1 3.38Å; R424-N499 VanDerWaalsContact CD-OD1 3.32Å; R424-N499 WeakPolarHBondContact CD-OD1 3.4Å; R424-N499 VanDerWaalsContact CG-OD1 3.22Å; R424-N499 WeakPolarHBondContact CG-OD1 3.33Å; R424-N499 PolarHBondContact N-ND2 3.46Å; R424-N499 PolarHBondContact NH1-OD1 3.06Å; R424-D500 IonicContact CZ-OD1 2.66Å; R424-D500 IonicContact NH1-OD1 2.66Å; R424-D500 PolarHBondContact NH1-OD1 3.04Å; R424-D500 IonicContact NH2-OD1 3.48Å; R424-D500 PolarHBondContact NH2-OD1 3.23Å; R424-L534 HydrophobicContact CB-CD1 4.03Å; R424-L534 HydrophobicContact CG-CD1 3.73Å
425A88Confident88.6Confident29 Ų2949 Ų4924%0.2426%0.257CS..Hα-helixtrans-67.3-25.2175.600000113.2F421 S423 R429F421-A425 VanDerWaalsContact O-CB 3.3Å; F421-A425 WeakPolarHBondContact O-CB 3.42Å; F421-A425 PolarHBondContact O-N 3.39Å; S423-A425 PolarHBondContact O-N 3.42Å; A425-R429 WeakPolarHBondContact O-CB 3.38Å; A425-R429 VanDerWaalsContact O-CG 3.26Å; A425-R429 WeakPolarHBondContact O-CG 3.01Å; A425-R429 PolarHBondContact O-N 3.45Å; A425-R429 PolarHBondContact O-NE 3.35Å
426Q90.1Very high88.6Confident131 Ų13146.3 Ų46.361%0.61224%0.242SC*.Hα-helixtrans-75.9-48170.8-176.3173.9-12.100112S422 S423 R424 R428 R429 E430S422-Q426 PolarHBondContact O-N 2.76Å; S422-Q426 VanDerWaalsContact O-N 3.09Å; S423-Q426 WeakPolarHBondContact O-CA 3.4Å; S423-Q426 WeakPolarHBondContact O-CB 3.35Å; S423-Q426 PolarHBondContact O-N 2.84Å; R424-Q426 VanDerWaalsContact C-N 3.29Å; R424-Q426 PolarHBondContact O-N 3.45Å; Q426-R428 VanDerWaalsContact C-N 3.31Å; Q426-R428 PolarHBondContact O-N 2.96Å; Q426-R429 PolarHBondContact O-N 3.49Å; Q426-E430 PolarHBondContact O-N 2.91Å
427I90.3Very high88.6Confident12 Ų1249 Ų496%0.06225%0.248CC..Hα-helixtrans-59.8-44.6178.1-63.1159000110.3S423 R424 E430 Q431 T492 R495 F496 N499S423-I427 WeakPolarHBondContact O-CG1 3.49Å; S423-I427 PolarHBondContact O-N 2.75Å; R424-I427 PolarHBondContact O-N 3.01Å; I427-E430 PolarHBondContact O-N 3.27Å; I427-Q431 PolarHBondContact O-N 2.83Å; I427-T492 WeakPolarHBondContact CG2-O 3.28Å; I427-R495 HydrophobicContact CD1-CB 4.19Å; I427-R495 HydrophobicContact CG1-CB 4.4Å; I427-R495 HydrophobicContact CG2-CB 4.29Å; I427-F496 HydrophobicContact CG2-CB 3.98Å; I427-F496 HydrophobicContact CG2-CD2 4.11Å; I427-N499 HydrophobicContact CD1-CB 4.14Å
428R88.8Confident88.7Confident25 Ų2550.1 Ų50.19%0.09425%0.254CS..Hα-helixtrans-67.2-38.8-178.8-168.358.7176.8136.717.4112.6R424 Q426 E430 Q431 L432 E435 F496 D538R424-R428 VanDerWaalsContact O-CB 3.22Å; R424-R428 WeakPolarHBondContact O-CB 3.31Å; R424-R428 PolarHBondContact O-N 3.47Å; Q426-R428 VanDerWaalsContact C-N 3.31Å; Q426-R428 PolarHBondContact O-N 2.96Å; R428-E430 PolarHBondContact O-N 2.89Å; R428-Q431 VanDerWaalsContact NH1-NE2 3.17Å; R428-Q431 PolarHBondContact O-N 2.98Å; R428-L432 HydrophobicContact CG-CD1 4.13Å; R428-L432 WeakPolarHBondContact O-CB 3.49Å; R428-L432 VanDerWaalsContact O-CG 3.26Å; R428-L432 WeakPolarHBondContact O-CG 3.45Å; R428-L432 PolarHBondContact O-N 2.95Å; R428-E435 IonicContact NH1-OE1 3.23Å; R428-F496 HydrophobicContact CB-CE2 4.26Å; R428-D538 WeakPolarHBondContact CG-OD1 3.48Å; R428-D538 IonicContact CZ-OD2 3.57Å; R428-D538 IonicContact NE-OD1 3.96Å; R428-D538 IonicContact NE-OD2 3.65Å; R428-D538 PolarHBondContact NE-OD2 2.97Å; R428-D538 IonicContact NH2-OD2 2.72Å; R428-D538 PolarHBondContact NH2-OD2 2.81Å
429R87.2Confident88.5Confident129 Ų12948.4 Ų48.449%0.48725%0.245SC..Hα-helixtrans-57.4-45.9169.1-84.8178.8-69.2167.2-0.9111.9A425 Q426 L432 D433A425-R429 WeakPolarHBondContact O-CB 3.38Å; A425-R429 VanDerWaalsContact O-CG 3.26Å; A425-R429 WeakPolarHBondContact O-CG 3.01Å; A425-R429 PolarHBondContact O-N 3.45Å; A425-R429 PolarHBondContact O-NE 3.35Å; Q426-R429 PolarHBondContact O-N 3.49Å; R429-L432 PolarHBondContact O-N 3.37Å; R429-D433 WeakPolarHBondContact O-CB 3.48Å; R429-D433 PolarHBondContact O-N 2.99Å
430E89.8Confident88.3Confident44 Ų4445.4 Ų45.421%0.20623%0.225CC..Hα-helixtrans-64-45.9178.6-167.8-171.3165.800111.7Q426 I427 R428 D433 L434 R488 T492 R495Q426-E430 PolarHBondContact O-N 2.91Å; I427-E430 PolarHBondContact O-N 3.27Å; R428-E430 PolarHBondContact O-N 2.89Å; E430-D433 PolarHBondContact O-N 2.91Å; E430-L434 HydrophobicContact CG-CD1 4.19Å; E430-L434 WeakPolarHBondContact O-CB 3.07Å; E430-L434 VanDerWaalsContact O-CG 3.3Å; E430-L434 WeakPolarHBondContact O-CG 3.33Å; E430-L434 PolarHBondContact O-N 3.2Å; E430-R488 IonicContact OE1-CZ 2.71Å; E430-R488 IonicContact OE1-NE 3.4Å; E430-R488 IonicContact OE1-NH2 3.2Å; E430-R488 PolarHBondContact OE1-NH2 2.96Å; E430-T492 HydrophobicContact CB-CG2 3.95Å; E430-T492 VanDerWaalsContact CD-CG2 3.47Å; E430-T492 HydrophobicContact CG-CG2 3.75Å; E430-R495 VanDerWaalsContact CD-NH2 3.3Å; E430-R495 IonicContact OE1-NH2 3.88Å; E430-R495 PolarHBondContact OE1-NH2 3.29Å; E430-R495 VanDerWaalsContact OE1-NH2 3.12Å; E430-R495 IonicContact OE2-CZ 3.44Å; E430-R495 VanDerWaalsContact OE2-CZ 3.28Å; E430-R495 IonicContact OE2-NH1 3.09Å; E430-R495 PolarHBondContact OE2-NH1 3.33Å; E430-R495 IonicContact OE2-NH2 3.14Å; E430-R495 PolarHBondContact OE2-NH2 2.88Å
431Q88.4Confident88.1Confident28 Ų2844.9 Ų44.913%0.13122%0.223CC..Hα-helixtrans-57.8-50.2176.4-174.4-166.3-6.800111.2I427 R428 D433 L434 E435I427-Q431 PolarHBondContact O-N 2.83Å; R428-Q431 VanDerWaalsContact NH1-NE2 3.17Å; R428-Q431 PolarHBondContact O-N 2.98Å; Q431-D433 VanDerWaalsContact C-N 3.35Å; Q431-D433 PolarHBondContact O-N 2.83Å; Q431-L434 WeakPolarHBondContact O-CB 3.11Å; Q431-L434 PolarHBondContact O-N 3.34Å; Q431-E435 WeakPolarHBondContact CG-OE1 3.43Å; Q431-E435 PolarHBondContact NE2-OE1 2.96Å; Q431-E435 WeakPolarHBondContact O-CG 3.39Å; Q431-E435 PolarHBondContact O-N 3.27Å
432L85.8Confident87.9Confident0 Ų047 Ų470%023%0.232CC..Hα-helixtrans-62-40.6178.2-74.1170.9000111.8R428 R429 L434 E435 R436 Q541 H542 Q545R428-L432 HydrophobicContact CG-CD1 4.13Å; R428-L432 WeakPolarHBondContact O-CB 3.49Å; R428-L432 VanDerWaalsContact O-CG 3.26Å; R428-L432 WeakPolarHBondContact O-CG 3.45Å; R428-L432 PolarHBondContact O-N 2.95Å; R429-L432 PolarHBondContact O-N 3.37Å; L432-L434 VanDerWaalsContact C-N 3.31Å; L432-L434 PolarHBondContact O-N 3.27Å; L432-E435 PolarHBondContact O-N 2.73Å; L432-R436 PolarHBondContact O-N 2.88Å; L432-R436 VanDerWaalsContact O-N 3.17Å; L432-Q541 HydrophobicContact CD1-CB 4.04Å; L432-H542 WeakPolarHBondContact CD2-CE1 3.38Å; L432-Q545 VanDerWaalsContact C-NE2 3.35Å; L432-Q545 PolarHBondContact O-NE2 3.22Å
433D87Confident87.6Confident59 Ų5944.5 Ų44.532%0.31621%0.214SC..Hα-helixtrans-66.6-32.2176.5-84.6-36.4000112.6R429 E430 Q431 R436 Q437R429-D433 WeakPolarHBondContact O-CB 3.48Å; R429-D433 PolarHBondContact O-N 2.99Å; E430-D433 PolarHBondContact O-N 2.91Å; Q431-D433 VanDerWaalsContact C-N 3.35Å; Q431-D433 PolarHBondContact O-N 2.83Å; D433-R436 PolarHBondContact O-NH2 3.36Å; D433-R436 VanDerWaalsContact O-NH2 3.1Å; D433-R436 IonicContact OD1-CZ 3.07Å; D433-R436 VanDerWaalsContact OD1-CZ 3.23Å; D433-R436 IonicContact OD1-NH1 3.8Å; D433-R436 PolarHBondContact OD1-NH1 3.37Å; D433-R436 IonicContact OD1-NH2 2.76Å; D433-R436 PolarHBondContact OD1-NH2 3.31Å; D433-Q437 VanDerWaalsContact O-CG 3.3Å; D433-Q437 WeakPolarHBondContact O-CG 3.41Å; D433-Q437 PolarHBondContact O-N 3.09Å
434L90.3Very high87.3Confident4 Ų448.7 Ų48.72%0.02122%0.222CC..Hα-helixtrans-73.5-43.3173.7-71.9167.4000112.7E430 Q431 L432 R436 Q437 L438 I485 R488 T492E430-L434 HydrophobicContact CG-CD1 4.19Å; E430-L434 WeakPolarHBondContact O-CB 3.07Å; E430-L434 VanDerWaalsContact O-CG 3.3Å; E430-L434 WeakPolarHBondContact O-CG 3.33Å; E430-L434 PolarHBondContact O-N 3.2Å; Q431-L434 WeakPolarHBondContact O-CB 3.11Å; Q431-L434 PolarHBondContact O-N 3.34Å; L432-L434 VanDerWaalsContact C-N 3.31Å; L432-L434 PolarHBondContact O-N 3.27Å; L434-R436 VanDerWaalsContact C-N 3.32Å; L434-R436 PolarHBondContact O-N 3.04Å; L434-Q437 WeakPolarHBondContact O-CB 3.25Å; L434-Q437 PolarHBondContact O-N 2.97Å; L434-Q437 VanDerWaalsContact O-N 3.07Å; L434-L438 PolarHBondContact O-N 2.87Å; L434-I485 HydrophobicContact CB-CG2 4.4Å; L434-I485 HydrophobicContact CD2-CG2 4.18Å; L434-I485 WeakPolarHBondContact O-CG2 3.3Å; L434-R488 HydrophobicContact CD1-CB 3.94Å; L434-R488 HydrophobicContact CD2-CB 4.11Å; L434-T492 HydrophobicContact CD1-CG2 3.94Å
435E86.8Confident87Confident52 Ų5249 Ų4924%0.24322%0.224CC..Hα-helixtrans-56.3-45.3175.5-77.1170.3-168.400111.3R428 Q431 L432 L438 K439 L489R428-E435 IonicContact NH1-OE1 3.23Å; Q431-E435 WeakPolarHBondContact CG-OE1 3.43Å; Q431-E435 PolarHBondContact NE2-OE1 2.96Å; Q431-E435 WeakPolarHBondContact O-CG 3.39Å; Q431-E435 PolarHBondContact O-N 3.27Å; L432-E435 PolarHBondContact O-N 2.73Å; E435-L438 WeakPolarHBondContact O-CB 3.29Å; E435-L438 PolarHBondContact O-N 2.86Å; E435-K439 PolarHBondContact O-N 3.39Å; E435-L489 HydrophobicContact CG-CD1 3.73Å
436R85.9Confident86.8Confident45 Ų4550.4 Ų50.417%0.1723%0.232CC..Hα-helixtrans-63.3-41.6173.5-175.9-15854.3-126.9-30.9112.1L432 D433 L434 L438 K439 A440 Q545 E548L432-R436 PolarHBondContact O-N 2.88Å; L432-R436 VanDerWaalsContact O-N 3.17Å; D433-R436 PolarHBondContact O-NH2 3.36Å; D433-R436 VanDerWaalsContact O-NH2 3.1Å; D433-R436 IonicContact OD1-CZ 3.07Å; D433-R436 VanDerWaalsContact OD1-CZ 3.23Å; D433-R436 IonicContact OD1-NH1 3.8Å; D433-R436 PolarHBondContact OD1-NH1 3.37Å; D433-R436 IonicContact OD1-NH2 2.76Å; D433-R436 PolarHBondContact OD1-NH2 3.31Å; L434-R436 VanDerWaalsContact C-N 3.32Å; L434-R436 PolarHBondContact O-N 3.04Å; R436-L438 VanDerWaalsContact C-N 3.29Å; R436-L438 PolarHBondContact O-N 3.06Å; R436-K439 PolarHBondContact O-N 2.93Å; R436-A440 VanDerWaalsContact O-CB 3.28Å; R436-A440 WeakPolarHBondContact O-CB 3.3Å; R436-A440 PolarHBondContact O-N 3.35Å; R436-Q545 HydrophobicContact CB-CG 4.01Å; R436-Q545 HydrophobicContact CG-CB 4.4Å; R436-Q545 HydrophobicContact CG-CG 4.24Å; R436-E548 WeakPolarHBondContact CD-OE2 3.38Å; R436-E548 IonicContact CZ-OE2 3.25Å; R436-E548 IonicContact NE-OE2 2.75Å; R436-E548 PolarHBondContact NE-OE2 3.37Å; R436-E548 IonicContact NH1-OE2 2.64Å; R436-E548 PolarHBondContact NH1-OE2 3.1Å
437Q87.2Confident86.2Confident90 Ų9045.6 Ų45.642%0.42121%0.208SC..Hα-helixtrans-63.7-35.6176.9-76.2176.629.100112.1D433 L434 N441 I485D433-Q437 VanDerWaalsContact O-CG 3.3Å; D433-Q437 WeakPolarHBondContact O-CG 3.41Å; D433-Q437 PolarHBondContact O-N 3.09Å; L434-Q437 WeakPolarHBondContact O-CB 3.25Å; L434-Q437 PolarHBondContact O-N 2.97Å; L434-Q437 VanDerWaalsContact O-N 3.07Å; Q437-N441 WeakPolarHBondContact O-CB 3.36Å; Q437-N441 PolarHBondContact O-N 3.07Å; Q437-I485 HydrophobicContact CB-CD1 4.11Å; Q437-I485 HydrophobicContact CB-CG2 4.47Å
438L88.6Confident85.9Confident25 Ų2545.1 Ų45.113%0.13121%0.206CC..Hα-helixtrans-64.6-52.8175-163.871.6000110.7L434 E435 R436 A440 N441 E442 I485L434-L438 PolarHBondContact O-N 2.87Å; E435-L438 WeakPolarHBondContact O-CB 3.29Å; E435-L438 PolarHBondContact O-N 2.86Å; R436-L438 VanDerWaalsContact C-N 3.29Å; R436-L438 PolarHBondContact O-N 3.06Å; L438-A440 VanDerWaalsContact C-N 3.32Å; L438-A440 PolarHBondContact O-N 2.98Å; L438-N441 WeakPolarHBondContact O-CA 3.42Å; L438-N441 WeakPolarHBondContact O-CB 3.43Å; L438-N441 PolarHBondContact O-N 3.37Å; L438-E442 WeakPolarHBondContact O-CG 3.44Å; L438-E442 PolarHBondContact O-N 3.38Å; L438-I485 HydrophobicContact CB-CG2 3.95Å; L438-I485 HydrophobicContact CD1-CB 4.11Å; L438-I485 HydrophobicContact CD1-CG2 3.89Å
439K84.6Confident85.5Confident83 Ų8347 Ų4736%0.36122%0.216SC..Hα-helixtrans-60.3-38.7177.7-69.8-74.2161-128.90112.9E435 R436 N441 E442 L443 L549E435-K439 PolarHBondContact O-N 3.39Å; R436-K439 PolarHBondContact O-N 2.93Å; K439-N441 VanDerWaalsContact C-N 3.28Å; K439-N441 PolarHBondContact O-N 2.9Å; K439-E442 WeakPolarHBondContact CD-OE2 3.33Å; K439-E442 IonicContact NZ-OE1 3.52Å; K439-E442 PolarHBondContact NZ-OE1 2.83Å; K439-E442 IonicContact NZ-OE2 3.36Å; K439-E442 PolarHBondContact NZ-OE2 2.82Å; K439-L443 WeakPolarHBondContact O-CB 3.22Å; K439-L443 PolarHBondContact O-N 3.14Å; K439-L549 HydrophobicContact CB-CD1 4.29Å; K439-L549 HydrophobicContact CB-CD2 4.38Å
440A84.4Confident84.9Confident16 Ų1643.2 Ų43.213%0.13220%0.204CC..Hα-helixtrans-69.8-22174.100000113.4R436 L438 R444 L549 L552R436-A440 VanDerWaalsContact O-CB 3.28Å; R436-A440 WeakPolarHBondContact O-CB 3.3Å; R436-A440 PolarHBondContact O-N 3.35Å; L438-A440 VanDerWaalsContact C-N 3.32Å; L438-A440 PolarHBondContact O-N 2.98Å; A440-R444 WeakPolarHBondContact O-CB 3.29Å; A440-R444 WeakPolarHBondContact O-CD 3.38Å; A440-R444 WeakPolarHBondContact O-CG 3.42Å; A440-R444 PolarHBondContact O-N 3.03Å; A440-L549 HydrophobicContact CB-CD2 4.32Å; A440-L552 HydrophobicContact CB-CD1 4.46Å
441N88.1Confident84.2Confident5 Ų542.6 Ų42.63%0.02720%0.202CC..Hα-helixtrans-81.3-48.7173.2-171.4-14.9000110.9Q437 L438 K439 L443 R444 Q445 L478 Q481 H482Q437-N441 WeakPolarHBondContact O-CB 3.36Å; Q437-N441 PolarHBondContact O-N 3.07Å; L438-N441 WeakPolarHBondContact O-CA 3.42Å; L438-N441 WeakPolarHBondContact O-CB 3.43Å; L438-N441 PolarHBondContact O-N 3.37Å; K439-N441 VanDerWaalsContact C-N 3.28Å; K439-N441 PolarHBondContact O-N 2.9Å; N441-L443 PolarHBondContact O-N 3.28Å; N441-R444 CarbonylContact O-C 3.57Å; N441-R444 WeakPolarHBondContact O-CA 3.35Å; N441-R444 WeakPolarHBondContact O-CB 3.39Å; N441-R444 PolarHBondContact O-N 2.91Å; N441-Q445 PolarHBondContact O-N 3.29Å; N441-L478 PolarHBondContact ND2-O 3.22Å; N441-L478 WeakPolarHBondContact OD1-CB 3.45Å; N441-L478 VanDerWaalsContact OD1-CD2 3.32Å; N441-L478 WeakPolarHBondContact OD1-CD2 3.37Å; N441-L478 PolarHBondContact OD1-O 3Å; N441-Q481 WeakPolarHBondContact ND2-CB 3.36Å; N441-H482 PolarHBondContact ND2-N 3.44Å; N441-H482 VanDerWaalsContact ND2-N 3.16Å
442E85.4Confident83.9Confident58 Ų5842.3 Ų42.327%0.27120%0.201SC..Hα-helixtrans-49.1-54172.8-68169.5-156.900111.5L438 K439 R444 Q445 C446L438-E442 WeakPolarHBondContact O-CG 3.44Å; L438-E442 PolarHBondContact O-N 3.38Å; K439-E442 WeakPolarHBondContact CD-OE2 3.33Å; K439-E442 IonicContact NZ-OE1 3.52Å; K439-E442 PolarHBondContact NZ-OE1 2.83Å; K439-E442 IonicContact NZ-OE2 3.36Å; K439-E442 PolarHBondContact NZ-OE2 2.82Å; E442-R444 VanDerWaalsContact C-N 3.28Å; E442-R444 PolarHBondContact O-N 2.77Å; E442-Q445 WeakPolarHBondContact O-CA 3.37Å; E442-Q445 WeakPolarHBondContact O-CB 3.46Å; E442-Q445 PolarHBondContact O-N 3.05Å; E442-C446 PolarHBondContact O-N 3.44Å; E442-C446 PolarHBondContact O-SG 2.98Å
443L81.4Confident83.4Confident18 Ų1846.6 Ų46.69%0.09422%0.224CC..Hα-helixtrans-60.1-36.8179.4-174.164.3000112.4K439 N441 Q445 Y447 L552 H649K439-L443 WeakPolarHBondContact O-CB 3.22Å; K439-L443 PolarHBondContact O-N 3.14Å; N441-L443 PolarHBondContact O-N 3.28Å; L443-Q445 VanDerWaalsContact C-N 3.31Å; L443-Y447 HydrophobicContact CD1-CD2 4.22Å; L443-Y447 HydrophobicContact CD1-CE1 4.48Å; L443-Y447 HydrophobicContact CD1-CE2 3.58Å; L443-Y447 HydrophobicContact CD2-CE2 3.99Å; L443-Y447 HydrophobicContact CG-CD2 3.98Å; L443-Y447 HydrophobicContact CG-CE2 3.49Å; L443-Y447 VanDerWaalsContact CG-CE2 3.49Å; L443-Y447 WeakPolarHBondContact O-CD2 3.19Å; L443-Y447 PolarHBondContact O-N 3.17Å; L443-L552 HydrophobicContact CD2-CB 4.49Å; L443-H649 HydrophobicContact CD1-CB 4.49Å
444R84.6Confident82.6Confident140 Ų14045.6 Ų45.653%0.52822%0.217SC..Hα-helixtrans-71.2-23.8173.8-75.9171.2-176.2179.32.1113.1A440 N441 E442 S448 L478A440-R444 WeakPolarHBondContact O-CB 3.29Å; A440-R444 WeakPolarHBondContact O-CD 3.38Å; A440-R444 WeakPolarHBondContact O-CG 3.42Å; A440-R444 PolarHBondContact O-N 3.03Å; N441-R444 CarbonylContact O-C 3.57Å; N441-R444 WeakPolarHBondContact O-CA 3.35Å; N441-R444 WeakPolarHBondContact O-CB 3.39Å; N441-R444 PolarHBondContact O-N 2.91Å; E442-R444 VanDerWaalsContact C-N 3.28Å; E442-R444 PolarHBondContact O-N 2.77Å; R444-S448 WeakPolarHBondContact O-CB 3.38Å; R444-S448 PolarHBondContact O-N 3.4Å; R444-L478 HydrophobicContact CB-CD1 4.44Å; R444-L478 HydrophobicContact CB-CD2 4.26Å
445Q84.7Confident81.9Confident35 Ų3547.3 Ų47.316%0.16423%0.228CC..Hα-helixtrans-74-50.9172.5-161.9-172.5-5500109.8N441 E442 L443 Y447 S448 E449 I475 L478N441-Q445 PolarHBondContact O-N 3.29Å; E442-Q445 WeakPolarHBondContact O-CA 3.37Å; E442-Q445 WeakPolarHBondContact O-CB 3.46Å; E442-Q445 PolarHBondContact O-N 3.05Å; L443-Q445 VanDerWaalsContact C-N 3.31Å; Q445-Y447 PolarHBondContact O-N 3.44Å; Q445-S448 CarbonylContact O-C 3.55Å; Q445-S448 WeakPolarHBondContact O-CA 2.95Å; Q445-S448 VanDerWaalsContact O-CB 3.23Å; Q445-S448 WeakPolarHBondContact O-CB 3.21Å; Q445-S448 PolarHBondContact O-N 3.18Å; Q445-E449 PolarHBondContact NE2-OE1 3.22Å; Q445-E449 PolarHBondContact O-N 2.92Å; Q445-I475 HydrophobicContact CG-CD1 3.6Å; Q445-L478 HydrophobicContact CB-CD1 4.4Å
446C83.1Confident81.2Confident60 Ų6048.7 Ų48.741%0.40523%0.234SC..Hα-helixtrans-54.4-56.4178.7-61.10000112.2E442 S448 E449 E450E442-C446 PolarHBondContact O-N 3.44Å; E442-C446 PolarHBondContact O-SG 2.98Å; C446-S448 PolarHBondContact O-N 2.91Å; C446-S448 VanDerWaalsContact O-N 3.08Å; C446-E449 PolarHBondContact O-N 3.45Å; C446-E450 PolarHBondContact O-N 3.02Å
447Y78.8Confident80.4Confident29 Ų2951.5 Ų51.511%0.11425%0.249CC..Hα-helixtrans-59.8-24.8176-66.2-43000113.5L443 Q445 E450 D451 Q553 E556 H649L443-Y447 HydrophobicContact CD1-CD2 4.22Å; L443-Y447 HydrophobicContact CD1-CE1 4.48Å; L443-Y447 HydrophobicContact CD1-CE2 3.58Å; L443-Y447 HydrophobicContact CD2-CE2 3.99Å; L443-Y447 HydrophobicContact CG-CD2 3.98Å; L443-Y447 HydrophobicContact CG-CE2 3.49Å; L443-Y447 VanDerWaalsContact CG-CE2 3.49Å; L443-Y447 WeakPolarHBondContact O-CD2 3.19Å; L443-Y447 PolarHBondContact O-N 3.17Å; Q445-Y447 PolarHBondContact O-N 3.44Å; Y447-E450 WeakPolarHBondContact CD1-OE2 3.44Å; Y447-D451 VanDerWaalsContact O-CB 3.26Å; Y447-D451 WeakPolarHBondContact O-CB 3.32Å; Y447-D451 PolarHBondContact O-N 3.24Å; Y447-Q553 PolarHBondContact OH-NE2 2.96Å; Y447-Q553 PolarHBondContact OH-OE1 2.82Å; Y447-Q553 VanDerWaalsContact OH-OE1 3.06Å; Y447-E556 HydrophobicContact CD2-CG 3.93Å; Y447-E556 HydrophobicContact CE1-CB 4.3Å; Y447-E556 HydrophobicContact CE2-CB 4.01Å; Y447-E556 HydrophobicContact CE2-CG 3.7Å; Y447-H649 AromaticContact CE1-CD2 3.98Å
448S82.8Confident79.3Confident3 Ų354.2 Ų54.22%0.02126%0.26CS..Hα-helixtrans-77.6-30.4175.8-166.80000112.9R444 Q445 C446 N452 H471 K474R444-S448 WeakPolarHBondContact O-CB 3.38Å; R444-S448 PolarHBondContact O-N 3.4Å; Q445-S448 CarbonylContact O-C 3.55Å; Q445-S448 WeakPolarHBondContact O-CA 2.95Å; Q445-S448 VanDerWaalsContact O-CB 3.23Å; Q445-S448 WeakPolarHBondContact O-CB 3.21Å; Q445-S448 PolarHBondContact O-N 3.18Å; C446-S448 PolarHBondContact O-N 2.91Å; C446-S448 VanDerWaalsContact O-N 3.08Å; S448-N452 PolarHBondContact O-N 2.97Å; S448-H471 PolarHBondContact O-CE1 2.96Å; S448-H471 PolarHBondContact O-ND1 3.45Å; S448-K474 VanDerWaalsContact OG-CD 3.31Å; S448-K474 WeakPolarHBondContact OG-CD 3.42Å; S448-K474 VanDerWaalsContact OG-CE 3.24Å; S448-K474 WeakPolarHBondContact OG-CE 3.48Å; S448-K474 PolarHBondContact OG-NZ 3.45Å
449E81.1Confident78.3Confident64 Ų6455.4 Ų55.430%0.29927%0.27SS..Hα-helixtrans-76.5-41.3175.4-70.2167.3171.800109.8Q445 C446 N452 L453 I475 R479Q445-E449 PolarHBondContact NE2-OE1 3.22Å; Q445-E449 PolarHBondContact O-N 2.92Å; C446-E449 PolarHBondContact O-N 3.45Å; E449-N452 WeakPolarHBondContact O-CB 3.47Å; E449-N452 PolarHBondContact O-N 2.88Å; E449-N452 VanDerWaalsContact O-N 3.15Å; E449-L453 PolarHBondContact O-N 2.64Å; E449-I475 HydrophobicContact CG-CD1 3.77Å; E449-R479 IonicContact OE1-NH2 2.73Å; E449-R479 PolarHBondContact OE1-NH2 2.91Å
450E75Confident77.7Confident49 Ų4954.9 Ų54.923%0.22928%0.281CS..Hα-helixtrans-61.8-46.6169.9-68.2170.2-178.200113.1C446 Y447 N452 L453 Q454 H649C446-E450 PolarHBondContact O-N 3.02Å; Y447-E450 WeakPolarHBondContact CD1-OE2 3.44Å; E450-N452 PolarHBondContact O-N 3Å; E450-N452 VanDerWaalsContact O-N 3.14Å; E450-L453 PolarHBondContact O-N 2.86Å; E450-Q454 WeakPolarHBondContact O-CG 3.32Å; E450-Q454 PolarHBondContact O-N 3.25Å; E450-H649 IonicContact OE1-CE1 3.22Å
451D75Confident77Confident32 Ų3261.5 Ų61.517%0.17131%0.307CS..Hα-helixtrans-55.5-30.5173.6-100.2-29.6000112.1Y447 V455 R559Y447-D451 VanDerWaalsContact O-CB 3.26Å; Y447-D451 WeakPolarHBondContact O-CB 3.32Å; Y447-D451 PolarHBondContact O-N 3.24Å; D451-V455 WeakPolarHBondContact O-CB 3.43Å; D451-V455 WeakPolarHBondContact O-CG2 3.35Å; D451-V455 PolarHBondContact O-N 3.14Å; D451-R559 IonicContact OD1-CZ 3.12Å; D451-R559 IonicContact OD1-NH1 3.28Å; D451-R559 IonicContact OD1-NH2 3.74Å; D451-R559 PolarHBondContact OD1-NH2 2.71Å; D451-R559 IonicContact OD2-CZ 3Å; D451-R559 IonicContact OD2-NH1 2.71Å; D451-R559 PolarHBondContact OD2-NH1 2.87Å; D451-R559 IonicContact OD2-NH2 3.97Å; D451-R559 PolarHBondContact OD2-NH2 3.2Å
452N80.6Confident76Confident21 Ų2168 Ų6811%0.11234%0.336CS..Hα-helixtrans-81.2-40.9179.9-17553.5000112.3S448 E449 E450 V455 Q456 H471S448-N452 PolarHBondContact O-N 2.97Å; E449-N452 WeakPolarHBondContact O-CB 3.47Å; E449-N452 PolarHBondContact O-N 2.88Å; E449-N452 VanDerWaalsContact O-N 3.15Å; E450-N452 PolarHBondContact O-N 3Å; E450-N452 VanDerWaalsContact O-N 3.14Å; N452-V455 PolarHBondContact O-N 3.11Å; N452-Q456 PolarHBondContact ND2-NE2 3.49Å; N452-Q456 VanDerWaalsContact ND2-NE2 3.16Å; N452-Q456 WeakPolarHBondContact O-CG 3.41Å; N452-Q456 PolarHBondContact O-N 3.09Å; N452-H471 HydrophobicContact CB-CB 4.18Å; N452-H471 WeakPolarHBondContact CB-ND1 3.47Å; N452-H471 VanDerWaalsContact CG-CD2 3.48Å; N452-H471 VanDerWaalsContact CG-CG 3.47Å; N452-H471 PolarHBondContact ND2-CD2 2.96Å; N452-H471 VanDerWaalsContact ND2-CD2 3.33Å; N452-H471 PolarHBondContact ND2-NE2 3.1Å
453L76.2Confident75.3Confident90 Ų9071.2 Ų71.247%0.47135%0.35SS..Hα-helixtrans-58.5-52.9171.9-68.2171.9000110.1E449 E450 V455 Q456 H457E449-L453 PolarHBondContact O-N 2.64Å; E450-L453 PolarHBondContact O-N 2.86Å; L453-V455 VanDerWaalsContact C-N 3.25Å; L453-V455 PolarHBondContact O-N 2.89Å; L453-Q456 WeakPolarHBondContact O-CA 3.44Å; L453-Q456 WeakPolarHBondContact O-CB 3.26Å; L453-Q456 PolarHBondContact O-N 3.03Å; L453-H457 PolarHBondContact O-CD2 3.01Å; L453-H457 PolarHBondContact O-N 2.88Å; L453-H457 VanDerWaalsContact O-N 3.13Å
454Q70.4Confident74.9Confident38 Ų3872.8 Ų72.818%0.17836%0.357CS..Hα-helixtrans-54.5-41.3177.1-68.1175.322.200112.2E450 Q456 H457 F458E450-Q454 WeakPolarHBondContact O-CG 3.32Å; E450-Q454 PolarHBondContact O-N 3.25Å; Q454-Q456 VanDerWaalsContact C-N 3.34Å; Q454-Q456 PolarHBondContact O-N 2.87Å; Q454-H457 PolarHBondContact O-N 3.37Å; Q454-F458 WeakPolarHBondContact O-CD2 3.31Å; Q454-F458 PolarHBondContact O-N 3.45Å
455V75.1Confident74.5Confident40 Ų4071 Ų7124%0.24236%0.355CS..Hα-helixtrans-66.5-31.8176.4164.60000112.9D451 N452 L453 C459 A467D451-V455 WeakPolarHBondContact O-CB 3.43Å; D451-V455 WeakPolarHBondContact O-CG2 3.35Å; D451-V455 PolarHBondContact O-N 3.14Å; N452-V455 PolarHBondContact O-N 3.11Å; L453-V455 VanDerWaalsContact C-N 3.25Å; L453-V455 PolarHBondContact O-N 2.89Å; V455-C459 HydrophobicContact CG1-CB 4.37Å; V455-C459 WeakPolarHBondContact O-CB 3.35Å; V455-C459 PolarHBondContact O-N 2.89Å; V455-C459 VanDerWaalsContact O-N 3.11Å; V455-A467 HydrophobicContact CG1-CB 3.61Å
456Q72.3Confident74.3Confident82 Ų8275.8 Ų75.838%0.38338%0.375SS..Hα-helixtrans-67.6-43.5174.2-69.6170.231.100111.8N452 L453 Q454 M464N452-Q456 PolarHBondContact ND2-NE2 3.49Å; N452-Q456 VanDerWaalsContact ND2-NE2 3.16Å; N452-Q456 WeakPolarHBondContact O-CG 3.41Å; N452-Q456 PolarHBondContact O-N 3.09Å; L453-Q456 WeakPolarHBondContact O-CA 3.44Å; L453-Q456 WeakPolarHBondContact O-CB 3.26Å; L453-Q456 PolarHBondContact O-N 3.03Å; Q454-Q456 VanDerWaalsContact C-N 3.34Å; Q454-Q456 PolarHBondContact O-N 2.87Å; Q456-M464 HydrophobicContact CB-SD 4.27Å; Q456-M464 HydrophobicContact CG-CG 4.12Å; Q456-M464 HydrophobicContact CG-SD 4.03Å
457H68.6Low74.1Confident104 Ų10474.2 Ų74.248%0.48137%0.366SS..Hα-helixtrans-67.6-35.5176.8-60.7-83.9000112.8L453 Q454 E640L453-H457 PolarHBondContact O-CD2 3.01Å; L453-H457 PolarHBondContact O-N 2.88Å; L453-H457 VanDerWaalsContact O-N 3.13Å; Q454-H457 PolarHBondContact O-N 3.37Å; H457-E640 IonicContact CE1-OE1 3.46Å; H457-E640 PolarHBondContact CE1-OE1 2.63Å; H457-E640 IonicContact CE1-OE2 2.67Å; H457-E640 PolarHBondContact CE1-OE2 2.96Å; H457-E640 VanDerWaalsContact CE1-OE2 3.3Å; H457-E640 IonicContact ND1-OE1 3.95Å; H457-E640 IonicContact ND1-OE2 2.63Å; H457-E640 PolarHBondContact ND1-OE2 3.46Å
458F64Low74.2Confident147 Ų14774.2 Ų74.265%0.64537%0.37SS*.Hα-helixtrans-100.3-4.6-171.8-68.9-61.1000116.8Q454 L567Q454-F458 WeakPolarHBondContact O-CD2 3.31Å; Q454-F458 PolarHBondContact O-N 3.45Å; F458-L567 HydrophobicContact CZ-CD1 4.37Å
459C69.1Low74.3Confident50 Ų5076.1 Ų76.134%0.33838%0.383SS..SBendtrans-118.6132.5-174.5-69.20000115.3V455 K463V455-C459 HydrophobicContact CG1-CB 4.37Å; V455-C459 WeakPolarHBondContact O-CB 3.35Å; V455-C459 PolarHBondContact O-N 2.89Å; V455-C459 VanDerWaalsContact O-N 3.11Å; C459-K463 HydrophobicContact CB-CB 4.47Å
460A71.2Confident74.4Confident71 Ų7180.1 Ų80.159%0.58740%0.399SS*.  trans-56.6142.5169.200000112.7E462 K463 M464A460-E462 PolarHBondContact O-N 3.07Å; A460-E462 VanDerWaalsContact O-N 3.13Å; A460-K463 WeakPolarHBondContact O-CB 3.46Å; A460-K463 PolarHBondContact O-N 3.46Å; A460-M464 PolarHBondContact O-N 3.35Å
461K69.4Low74.9Confident156 Ų15679.2 Ų79.268%0.67840%0.395SS*.Hα-helixtrans-42.1-52.1-165.7-161.8173.7-179.2-179.80115.8K463 M464 E465K461-K463 PolarHBondContact O-N 3.48Å; K461-K463 VanDerWaalsContact O-N 3.08Å; K461-M464 HydrophobicContact CG-CE 4.35Å; K461-M464 WeakPolarHBondContact O-CB 3.34Å; K461-M464 PolarHBondContact O-N 2.98Å; K461-M464 VanDerWaalsContact O-N 3.12Å; K461-E465 PolarHBondContact O-N 2.81Å
462E66.9Low75.5Confident140 Ų14083 Ų8365%0.65441%0.411SS*.Hα-helixtrans-61.4-20.7-179.6-57.7-172.2124.800115.6A460 K466A460-E462 PolarHBondContact O-N 3.07Å; A460-E462 VanDerWaalsContact O-N 3.13Å; E462-K466 WeakPolarHBondContact O-CD 3.44Å; E462-K466 PolarHBondContact O-NZ 2.81Å
463K71.1Confident75.9Confident126 Ų12690.6 Ų90.655%0.54844%0.438SS..Hα-helixtrans-94.9-31.2178.9-66.8168.5-174.1155.30111.2C459 A460 K461 K466 A467C459-K463 HydrophobicContact CB-CB 4.47Å; A460-K463 WeakPolarHBondContact O-CB 3.46Å; A460-K463 PolarHBondContact O-N 3.46Å; K461-K463 PolarHBondContact O-N 3.48Å; K461-K463 VanDerWaalsContact O-N 3.08Å; K463-K466 PolarHBondContact O-N 2.94Å; K463-A467 PolarHBondContact O-N 2.89Å
464M72.2Confident76.5Confident51 Ų5190.7 Ų90.725%0.25144%0.435SS..Hα-helixtrans-58.4-53173.6-177.1-178.369.800110.8Q456 A460 K461 K466 A467 T468Q456-M464 HydrophobicContact CB-SD 4.27Å; Q456-M464 HydrophobicContact CG-CG 4.12Å; Q456-M464 HydrophobicContact CG-SD 4.03Å; A460-M464 PolarHBondContact O-N 3.35Å; K461-M464 HydrophobicContact CG-CE 4.35Å; K461-M464 WeakPolarHBondContact O-CB 3.34Å; K461-M464 PolarHBondContact O-N 2.98Å; K461-M464 VanDerWaalsContact O-N 3.12Å; M464-K466 VanDerWaalsContact C-N 3.26Å; M464-K466 PolarHBondContact O-N 3.08Å; M464-A467 CarbonylContact O-C 3.59Å; M464-A467 WeakPolarHBondContact O-CA 3.46Å; M464-A467 WeakPolarHBondContact O-CB 3.48Å; M464-A467 PolarHBondContact O-N 2.87Å; M464-T468 HydrophobicContact CG-CG2 4.19Å; M464-T468 PolarHBondContact O-N 3.27Å; M464-T468 PolarHBondContact O-OG1 2.84Å
465E76.1Confident77.4Confident104 Ų10489.2 Ų89.249%0.48643%0.428SS..Hα-helixtrans-56.7-37179.7-65.8164.4-167.400113.2K461 A467 T468 C469K461-E465 PolarHBondContact O-N 2.81Å; E465-A467 PolarHBondContact O-N 2.94Å; E465-T468 WeakPolarHBondContact CA-OG1 3.47Å; E465-T468 PolarHBondContact O-OG1 3.25Å; E465-C469 WeakPolarHBondContact O-CB 3.43Å; E465-C469 PolarHBondContact O-N 3.41Å
466K81.1Confident78Confident134 Ų13489.9 Ų89.958%0.58344%0.438SS*.Hα-helixtrans-79.9-4.7177.8-68.4169.4-172.21340113.3E462 K463 M464 K470E462-K466 WeakPolarHBondContact O-CD 3.44Å; E462-K466 PolarHBondContact O-NZ 2.81Å; K463-K466 PolarHBondContact O-N 2.94Å; M464-K466 VanDerWaalsContact C-N 3.26Å; M464-K466 PolarHBondContact O-N 3.08Å; K466-K470 VanDerWaalsContact O-CD 3.26Å; K466-K470 WeakPolarHBondContact O-CD 3.32Å; K466-K470 WeakPolarHBondContact O-CE 3.47Å; K466-K470 WeakPolarHBondContact O-CG 3.47Å; K466-K470 PolarHBondContact O-NZ 3.32Å
467A78.4Confident79Confident27 Ų2788.8 Ų88.822%0.22344%0.439CS..Hα-helixtrans-105.4-44.6173.300000111.6V455 K463 M464 E465 C469 K470 H471V455-A467 HydrophobicContact CG1-CB 3.61Å; K463-A467 PolarHBondContact O-N 2.89Å; M464-A467 CarbonylContact O-C 3.59Å; M464-A467 WeakPolarHBondContact O-CA 3.46Å; M464-A467 WeakPolarHBondContact O-CB 3.48Å; M464-A467 PolarHBondContact O-N 2.87Å; E465-A467 PolarHBondContact O-N 2.94Å; A467-C469 PolarHBondContact O-N 2.87Å; A467-K470 WeakPolarHBondContact O-CA 3.36Å; A467-K470 WeakPolarHBondContact O-CB 3.44Å; A467-K470 PolarHBondContact O-N 2.99Å; A467-H471 PolarHBondContact O-N 2.91Å
468T81.4Confident80Confident30 Ų3084.5 Ų84.518%0.18442%0.42CS..Hα-helixtrans-56.4-48.717455.60000110.8M464 E465 K470 H471 E472M464-T468 HydrophobicContact CG-CG2 4.19Å; M464-T468 PolarHBondContact O-N 3.27Å; M464-T468 PolarHBondContact O-OG1 2.84Å; E465-T468 WeakPolarHBondContact CA-OG1 3.47Å; E465-T468 PolarHBondContact O-OG1 3.25Å; T468-K470 PolarHBondContact O-N 3.07Å; T468-H471 CarbonylContact O-C 3.55Å; T468-H471 WeakPolarHBondContact O-CA 3.47Å; T468-H471 WeakPolarHBondContact O-CB 3.31Å; T468-H471 PolarHBondContact O-N 3.31Å; T468-E472 WeakPolarHBondContact O-CG 3.41Å; T468-E472 PolarHBondContact O-N 3.46Å
469C84.1Confident81.3Confident43 Ų4383.4 Ų83.429%0.29141%0.412SS..Hα-helixtrans-63.1-18.5176.9-169.80000114.1E465 A467 E472 R473E465-C469 WeakPolarHBondContact O-CB 3.43Å; E465-C469 PolarHBondContact O-N 3.41Å; A467-C469 PolarHBondContact O-N 2.87Å; C469-E472 WeakPolarHBondContact CA-OE2 3.38Å; C469-R473 VanDerWaalsContact O-CD 3.24Å; C469-R473 WeakPolarHBondContact O-CD 3.42Å; C469-R473 WeakPolarHBondContact O-CG 3.45Å; C469-R473 PolarHBondContact O-NE 2.76Å; C469-R473 VanDerWaalsContact O-NE 3.12Å; C469-R473 PolarHBondContact SG-NH2 3.02Å
470K84.8Confident82.4Confident147 Ų14785 Ų8564%0.63942%0.42SS*.Hα-helixtrans-86.4-39.7170.9-68.7174.1-173.3159.60111.8K466 A467 T468 R473 K474K466-K470 VanDerWaalsContact O-CD 3.26Å; K466-K470 WeakPolarHBondContact O-CD 3.32Å; K466-K470 WeakPolarHBondContact O-CE 3.47Å; K466-K470 WeakPolarHBondContact O-CG 3.47Å; K466-K470 PolarHBondContact O-NZ 3.32Å; A467-K470 WeakPolarHBondContact O-CA 3.36Å; A467-K470 WeakPolarHBondContact O-CB 3.44Å; A467-K470 PolarHBondContact O-N 2.99Å; T468-K470 PolarHBondContact O-N 3.07Å; K470-R473 PolarHBondContact O-N 3.43Å; K470-K474 PolarHBondContact O-N 3.12Å; K470-K474 VanDerWaalsContact O-N 3.07Å
471H85.4Confident83.4Confident31 Ų3186 Ų8614%0.14441%0.412CS..Hα-helixtrans-59.1-50.617316185.2000110.5S448 N452 A467 T468 R473 K474 I475S448-H471 PolarHBondContact O-CE1 2.96Å; S448-H471 PolarHBondContact O-ND1 3.45Å; N452-H471 HydrophobicContact CB-CB 4.18Å; N452-H471 WeakPolarHBondContact CB-ND1 3.47Å; N452-H471 VanDerWaalsContact CG-CD2 3.48Å; N452-H471 VanDerWaalsContact CG-CG 3.47Å; N452-H471 PolarHBondContact ND2-CD2 2.96Å; N452-H471 VanDerWaalsContact ND2-CD2 3.33Å; N452-H471 PolarHBondContact ND2-NE2 3.1Å; A467-H471 PolarHBondContact O-N 2.91Å; T468-H471 CarbonylContact O-C 3.55Å; T468-H471 WeakPolarHBondContact O-CA 3.47Å; T468-H471 WeakPolarHBondContact O-CB 3.31Å; T468-H471 PolarHBondContact O-N 3.31Å; H471-R473 VanDerWaalsContact C-N 3.32Å; H471-R473 PolarHBondContact O-N 2.95Å; H471-K474 CarbonylContact O-C 3.52Å; H471-K474 WeakPolarHBondContact O-CA 3.4Å; H471-K474 WeakPolarHBondContact O-CB 3.46Å; H471-K474 PolarHBondContact O-N 2.92Å; H471-I475 WeakPolarHBondContact CE1-CG1 3.38Å; H471-I475 WeakPolarHBondContact NE2-CG1 3.35Å; H471-I475 WeakPolarHBondContact O-CG1 3.21Å; H471-I475 PolarHBondContact O-N 3.18Å
472E86.6Confident84.4Confident111 Ų11181.4 Ų81.452%0.51939%0.393SS..Hα-helixtrans-52-46.7176.7-72.2159.8-167.200112.4T468 C469 K474 I475 A476T468-E472 WeakPolarHBondContact O-CG 3.41Å; T468-E472 PolarHBondContact O-N 3.46Å; C469-E472 WeakPolarHBondContact CA-OE2 3.38Å; E472-K474 PolarHBondContact O-N 3.28Å; E472-I475 PolarHBondContact O-N 2.85Å; E472-A476 WeakPolarHBondContact O-CB 3.44Å; E472-A476 PolarHBondContact O-N 3.44Å
473R89.4Confident85.6Confident180 Ų18081 Ų8168%0.67939%0.391SS*.Hα-helixtrans-64.1-38.5176.7-66.9170.3-160.3-145.3-0.2112.4C469 K470 H471 S477C469-R473 VanDerWaalsContact O-CD 3.24Å; C469-R473 WeakPolarHBondContact O-CD 3.42Å; C469-R473 WeakPolarHBondContact O-CG 3.45Å; C469-R473 PolarHBondContact O-NE 2.76Å; C469-R473 VanDerWaalsContact O-NE 3.12Å; C469-R473 PolarHBondContact SG-NH2 3.02Å; K470-R473 PolarHBondContact O-N 3.43Å; H471-R473 VanDerWaalsContact C-N 3.32Å; H471-R473 PolarHBondContact O-N 2.95Å; R473-S477 WeakPolarHBondContact O-CB 3.47Å; R473-S477 PolarHBondContact O-N 3.43Å; R473-S477 VanDerWaalsContact O-N 3.08Å
474K88.3Confident86.7Confident92 Ų9280.4 Ų80.440%0.439%0.39SS..Hα-helixtrans-66.3-45.4175.2-179.8-177165.4-1520110.8S448 K470 H471 E472 S477 L478S448-K474 VanDerWaalsContact OG-CD 3.31Å; S448-K474 WeakPolarHBondContact OG-CD 3.42Å; S448-K474 VanDerWaalsContact OG-CE 3.24Å; S448-K474 WeakPolarHBondContact OG-CE 3.48Å; S448-K474 PolarHBondContact OG-NZ 3.45Å; K470-K474 PolarHBondContact O-N 3.12Å; K470-K474 VanDerWaalsContact O-N 3.07Å; H471-K474 CarbonylContact O-C 3.52Å; H471-K474 WeakPolarHBondContact O-CA 3.4Å; H471-K474 WeakPolarHBondContact O-CB 3.46Å; H471-K474 PolarHBondContact O-N 2.92Å; E472-K474 PolarHBondContact O-N 3.28Å; K474-S477 PolarHBondContact O-N 2.95Å; K474-L478 HydrophobicContact CG-CD1 4.16Å; K474-L478 WeakPolarHBondContact O-CG 3.19Å; K474-L478 PolarHBondContact O-N 3.34Å
475I88.9Confident87.6Confident7 Ų778.8 Ų78.84%0.03638%0.382CS..Hα-helixtrans-63.6-44.5177-65.3-62.1000111.5Q445 E449 H471 E472 S477 L478 R479Q445-I475 HydrophobicContact CG-CD1 3.6Å; E449-I475 HydrophobicContact CG-CD1 3.77Å; H471-I475 WeakPolarHBondContact CE1-CG1 3.38Å; H471-I475 WeakPolarHBondContact NE2-CG1 3.35Å; H471-I475 WeakPolarHBondContact O-CG1 3.21Å; H471-I475 PolarHBondContact O-N 3.18Å; E472-I475 PolarHBondContact O-N 2.85Å; I475-S477 VanDerWaalsContact C-N 3.29Å; I475-S477 PolarHBondContact O-N 2.73Å; I475-L478 PolarHBondContact O-N 3.34Å; I475-L478 VanDerWaalsContact O-N 3.14Å; I475-R479 HydrophobicContact CG2-CG 4.26Å; I475-R479 WeakPolarHBondContact O-CB 3.37Å; I475-R479 WeakPolarHBondContact O-CG 3.44Å; I475-R479 PolarHBondContact O-N 2.94Å
476A89.4Confident88.4Confident55 Ų5575.8 Ų75.846%0.45537%0.373SS..Hα-helixtrans-57.5-42.917400000111.6E472 R479 T480E472-A476 WeakPolarHBondContact O-CB 3.44Å; E472-A476 PolarHBondContact O-N 3.44Å; A476-R479 PolarHBondContact O-N 3.15Å; A476-T480 WeakPolarHBondContact O-CG2 3.4Å; A476-T480 PolarHBondContact O-N 2.87Å; A476-T480 VanDerWaalsContact O-N 3.09Å; A476-T480 PolarHBondContact O-OG1 2.8Å
477S92.2Very high89Confident58 Ų5875.6 Ų75.641%0.40637%0.372SS..Hα-helixtrans-69.1-29.1176-172.20000114.3R473 K474 I475 T480 Q481R473-S477 WeakPolarHBondContact O-CB 3.47Å; R473-S477 PolarHBondContact O-N 3.43Å; R473-S477 VanDerWaalsContact O-N 3.08Å; K474-S477 PolarHBondContact O-N 2.95Å; I475-S477 VanDerWaalsContact C-N 3.29Å; I475-S477 PolarHBondContact O-N 2.73Å; S477-T480 PolarHBondContact O-OG1 3.07Å; S477-Q481 VanDerWaalsContact O-CG 3.27Å; S477-Q481 WeakPolarHBondContact O-CG 3.32Å; S477-Q481 PolarHBondContact O-N 2.9Å
478L90.4Very high89.7Confident15 Ų1578.5 Ų78.58%0.07938%0.377CS..Hα-helixtrans-75.7-42.4175-73169.9000110.6N441 R444 Q445 K474 I475 Q481 H482N441-L478 PolarHBondContact ND2-O 3.22Å; N441-L478 WeakPolarHBondContact OD1-CB 3.45Å; N441-L478 VanDerWaalsContact OD1-CD2 3.32Å; N441-L478 WeakPolarHBondContact OD1-CD2 3.37Å; N441-L478 PolarHBondContact OD1-O 3Å; R444-L478 HydrophobicContact CB-CD1 4.44Å; R444-L478 HydrophobicContact CB-CD2 4.26Å; Q445-L478 HydrophobicContact CB-CD1 4.4Å; K474-L478 HydrophobicContact CG-CD1 4.16Å; K474-L478 WeakPolarHBondContact O-CG 3.19Å; K474-L478 PolarHBondContact O-N 3.34Å; I475-L478 PolarHBondContact O-N 3.34Å; I475-L478 VanDerWaalsContact O-N 3.14Å; L478-Q481 WeakPolarHBondContact O-CB 3.48Å; L478-Q481 PolarHBondContact O-N 3.24Å; L478-H482 WeakPolarHBondContact O-CB 3.47Å; L478-H482 PolarHBondContact O-N 3.38Å
479R90.4Very high90.2Very high123 Ų12378.5 Ų78.546%0.46438%0.376SS..Hα-helixtrans-63.5-39.8177.7-71177.3-175.4172.46.9112.7E449 I475 A476 H482 Q483E449-R479 IonicContact OE1-NH2 2.73Å; E449-R479 PolarHBondContact OE1-NH2 2.91Å; I475-R479 HydrophobicContact CG2-CG 4.26Å; I475-R479 WeakPolarHBondContact O-CB 3.37Å; I475-R479 WeakPolarHBondContact O-CG 3.44Å; I475-R479 PolarHBondContact O-N 2.94Å; A476-R479 PolarHBondContact O-N 3.15Å; R479-H482 PolarHBondContact O-N 3.13Å; R479-Q483 WeakPolarHBondContact O-CG 3.42Å; R479-Q483 PolarHBondContact O-N 3.45Å
480T92.8Very high90.5Very high83 Ų8382.6 Ų82.651%0.50939%0.389SS..Hα-helixtrans-67.6-38.6173.753.20000112.3A476 S477 Q483 H484A476-T480 WeakPolarHBondContact O-CG2 3.4Å; A476-T480 PolarHBondContact O-N 2.87Å; A476-T480 VanDerWaalsContact O-N 3.09Å; A476-T480 PolarHBondContact O-OG1 2.8Å; S477-T480 PolarHBondContact O-OG1 3.07Å; T480-Q483 PolarHBondContact O-N 3.09Å; T480-H484 PolarHBondContact O-N 2.92Å
481Q91.2Very high90.9Very high93 Ų9379.1 Ų79.144%0.43538%0.375SS..Hα-helixtrans-63.2-41.8171.8-74.8174.81.300111.8N441 S477 L478 H484 I485N441-Q481 WeakPolarHBondContact ND2-CB 3.36Å; S477-Q481 VanDerWaalsContact O-CG 3.27Å; S477-Q481 WeakPolarHBondContact O-CG 3.32Å; S477-Q481 PolarHBondContact O-N 2.9Å; L478-Q481 WeakPolarHBondContact O-CB 3.48Å; L478-Q481 PolarHBondContact O-N 3.24Å; Q481-H484 PolarHBondContact O-N 3.39Å; Q481-I485 WeakPolarHBondContact O-CD1 3.49Å; Q481-I485 VanDerWaalsContact O-CG1 3.25Å; Q481-I485 WeakPolarHBondContact O-CG1 3.42Å; Q481-I485 PolarHBondContact O-N 2.86Å
482H91.1Very high91.2Very high59 Ų5977.7 Ų77.727%0.27337%0.368SS..Hα-helixtrans-61.8-44.9177.1179.4-74.8000111.3N441 L478 R479 H484 I485 S486N441-H482 PolarHBondContact ND2-N 3.44Å; N441-H482 VanDerWaalsContact ND2-N 3.16Å; L478-H482 WeakPolarHBondContact O-CB 3.47Å; L478-H482 PolarHBondContact O-N 3.38Å; R479-H482 PolarHBondContact O-N 3.13Å; H482-H484 PolarHBondContact O-N 3.41Å; H482-I485 PolarHBondContact O-N 3.41Å; H482-S486 VanDerWaalsContact O-CB 3.22Å; H482-S486 WeakPolarHBondContact O-CB 3.37Å; H482-S486 PolarHBondContact O-N 3.32Å
483Q91.9Very high91.3Very high132 Ų13277.2 Ų77.262%0.61737%0.366SS*.Hα-helixtrans-60.4-42.6174-73.3171.9-14.600112.3R479 T480 K487R479-Q483 WeakPolarHBondContact O-CG 3.42Å; R479-Q483 PolarHBondContact O-N 3.45Å; T480-Q483 PolarHBondContact O-N 3.09Å; Q483-K487 PolarHBondContact O-N 3.22Å
484H94.3Very high91.4Very high114 Ų11472.1 Ų72.153%0.52836%0.355SS..Hα-helixtrans-65.1-46.6177.317979.1000112.6T480 Q481 H482 K487 R488T480-H484 PolarHBondContact O-N 2.92Å; Q481-H484 PolarHBondContact O-N 3.39Å; H482-H484 PolarHBondContact O-N 3.41Å; H484-K487 PolarHBondContact O-N 3.47Å; H484-R488 PolarHBondContact O-N 2.91Å
485I92.4Very high91.5Very high16 Ų1671.7 Ų71.78%0.08235%0.351CS..Hα-helixtrans-62.3-44.5177-64.2159.9000110.2L434 Q437 L438 Q481 H482 K487 R488 L489L434-I485 HydrophobicContact CB-CG2 4.4Å; L434-I485 HydrophobicContact CD2-CG2 4.18Å; L434-I485 WeakPolarHBondContact O-CG2 3.3Å; Q437-I485 HydrophobicContact CB-CD1 4.11Å; Q437-I485 HydrophobicContact CB-CG2 4.47Å; L438-I485 HydrophobicContact CB-CG2 3.95Å; L438-I485 HydrophobicContact CD1-CB 4.11Å; L438-I485 HydrophobicContact CD1-CG2 3.89Å; Q481-I485 WeakPolarHBondContact O-CD1 3.49Å; Q481-I485 VanDerWaalsContact O-CG1 3.25Å; Q481-I485 WeakPolarHBondContact O-CG1 3.42Å; Q481-I485 PolarHBondContact O-N 2.86Å; H482-I485 PolarHBondContact O-N 3.41Å; I485-K487 VanDerWaalsContact C-N 3.34Å; I485-K487 PolarHBondContact O-N 3.24Å; I485-R488 PolarHBondContact O-N 2.65Å; I485-L489 WeakPolarHBondContact O-CB 3.44Å; I485-L489 PolarHBondContact O-N 2.77Å
486S91.2Very high91.6Very high41 Ų4173.3 Ų73.329%0.28736%0.358SS..Hα-helixtrans-62.3-37177.4-176.40000112.9H482 K490H482-S486 VanDerWaalsContact O-CB 3.22Å; H482-S486 WeakPolarHBondContact O-CB 3.37Å; H482-S486 PolarHBondContact O-N 3.32Å; S486-K490 PolarHBondContact O-N 2.76Å
487K93.8Very high91.6Very high131 Ų13176 Ų7657%0.5736%0.364SS*.Hα-helixtrans-63.7-48.8172.3-173.9176.9-174.7-81.80111.2Q483 H484 I485 L489 K490 E491Q483-K487 PolarHBondContact O-N 3.22Å; H484-K487 PolarHBondContact O-N 3.47Å; I485-K487 VanDerWaalsContact C-N 3.34Å; I485-K487 PolarHBondContact O-N 3.24Å; K487-L489 VanDerWaalsContact C-N 3.29Å; K487-L489 PolarHBondContact O-N 3.14Å; K487-K490 PolarHBondContact O-N 3.19Å; K487-E491 IonicContact NZ-OE1 3.36Å; K487-E491 PolarHBondContact NZ-OE1 3.27Å; K487-E491 WeakPolarHBondContact O-CG 3.41Å; K487-E491 PolarHBondContact O-N 3.09Å; K487-E491 VanDerWaalsContact O-N 3.1Å
488R93.8Very high91.5Very high87 Ų8779.1 Ų79.133%0.32837%0.372SS..Hα-helixtrans-62.5-33.7177.9-77.5-167.362.4-164-5.2113.5E430 L434 H484 I485 E491 T492E430-R488 IonicContact OE1-CZ 2.71Å; E430-R488 IonicContact OE1-NE 3.4Å; E430-R488 IonicContact OE1-NH2 3.2Å; E430-R488 PolarHBondContact OE1-NH2 2.96Å; L434-R488 HydrophobicContact CD1-CB 3.94Å; L434-R488 HydrophobicContact CD2-CB 4.11Å; H484-R488 PolarHBondContact O-N 2.91Å; I485-R488 PolarHBondContact O-N 2.65Å; R488-E491 CarbonylContact O-C 3.57Å; R488-E491 WeakPolarHBondContact O-CB 3.42Å; R488-E491 PolarHBondContact O-N 2.98Å; R488-E491 VanDerWaalsContact O-N 3.16Å; R488-T492 PolarHBondContact O-N 2.97Å; R488-T492 PolarHBondContact O-OG1 3.07Å
489L91.8Very high91.6Very high30 Ų3078.6 Ų78.616%0.15737%0.369CS..Hα-helixtrans-63.5-41.9176.6-168.6155.4000111E435 I485 K487 E491 T492 E493E435-L489 HydrophobicContact CG-CD1 3.73Å; I485-L489 WeakPolarHBondContact O-CB 3.44Å; I485-L489 PolarHBondContact O-N 2.77Å; K487-L489 VanDerWaalsContact C-N 3.29Å; K487-L489 PolarHBondContact O-N 3.14Å; L489-E491 VanDerWaalsContact C-N 3.32Å; L489-E491 PolarHBondContact O-N 2.79Å; L489-T492 WeakPolarHBondContact CA-OG1 3.48Å; L489-T492 PolarHBondContact O-N 3.1Å; L489-T492 PolarHBondContact O-OG1 2.58Å; L489-E493 WeakPolarHBondContact O-CB 3.43Å; L489-E493 PolarHBondContact O-N 3.22Å
490K91.3Very high91.6Very high129 Ų12974.9 Ų74.956%0.56136%0.359SS*.Hα-helixtrans-64.7-35.8171.9-65.3179.2-179.4-171.30112.4S486 K487 T492 E493 T494S486-K490 PolarHBondContact O-N 2.76Å; K487-K490 PolarHBondContact O-N 3.19Å; K490-T492 VanDerWaalsContact C-N 3.32Å; K490-T492 PolarHBondContact O-N 2.71Å; K490-E493 WeakPolarHBondContact O-CB 3.28Å; K490-E493 PolarHBondContact O-N 3.22Å; K490-T494 PolarHBondContact O-N 3.05Å; K490-T494 PolarHBondContact O-OG1 3.1Å
491E93.1Very high91.4Very high75 Ų7572.6 Ų72.635%0.3535%0.352SS..Hα-helixtrans-71.9-20.3174.6-65.2164.9171.300113.6K487 R488 L489 R495K487-E491 IonicContact NZ-OE1 3.36Å; K487-E491 PolarHBondContact NZ-OE1 3.27Å; K487-E491 WeakPolarHBondContact O-CG 3.41Å; K487-E491 PolarHBondContact O-N 3.09Å; K487-E491 VanDerWaalsContact O-N 3.1Å; R488-E491 CarbonylContact O-C 3.57Å; R488-E491 WeakPolarHBondContact O-CB 3.42Å; R488-E491 PolarHBondContact O-N 2.98Å; R488-E491 VanDerWaalsContact O-N 3.16Å; L489-E491 VanDerWaalsContact C-N 3.32Å; L489-E491 PolarHBondContact O-N 2.79Å; E491-R495 WeakPolarHBondContact O-CG 3.49Å; E491-R495 PolarHBondContact O-NE 2.68Å
492T91Very high91.4Very high0 Ų071.7 Ų71.70%035%0.35CS..Hα-helixtrans-80.5-36.8164.441.50000112.2I427 E430 L434 R488 L489 K490 R495 F496I427-T492 WeakPolarHBondContact CG2-O 3.28Å; E430-T492 HydrophobicContact CB-CG2 3.95Å; E430-T492 VanDerWaalsContact CD-CG2 3.47Å; E430-T492 HydrophobicContact CG-CG2 3.75Å; L434-T492 HydrophobicContact CD1-CG2 3.94Å; R488-T492 PolarHBondContact O-N 2.97Å; R488-T492 PolarHBondContact O-OG1 3.07Å; L489-T492 WeakPolarHBondContact CA-OG1 3.48Å; L489-T492 PolarHBondContact O-N 3.1Å; L489-T492 PolarHBondContact O-OG1 2.58Å; K490-T492 VanDerWaalsContact C-N 3.32Å; K490-T492 PolarHBondContact O-N 2.71Å; T492-R495 PolarHBondContact O-N 2.75Å; T492-F496 PolarHBondContact O-N 2.99Å
493E89Confident91.3Very high101 Ų10169.1 Ų69.147%0.47234%0.338SS..Hα-helixtrans-64-44.7-179.8-172.6173.6-148.500111.8L489 K490 R495 F496 L497L489-E493 WeakPolarHBondContact O-CB 3.43Å; L489-E493 PolarHBondContact O-N 3.22Å; K490-E493 WeakPolarHBondContact O-CB 3.28Å; K490-E493 PolarHBondContact O-N 3.22Å; E493-R495 PolarHBondContact O-N 3.18Å; E493-F496 WeakPolarHBondContact O-CB 3.37Å; E493-F496 PolarHBondContact O-N 2.85Å; E493-L497 WeakPolarHBondContact O-CG 3.47Å; E493-L497 PolarHBondContact O-N 3.08Å
494T91.4Very high91.1Very high73 Ų7367.3 Ų67.345%0.44833%0.329SS..Hα-helixtrans-62.8-43.3174.357.30000112.3K490 F496 L497 E498K490-T494 PolarHBondContact O-N 3.05Å; K490-T494 PolarHBondContact O-OG1 3.1Å; T494-F496 VanDerWaalsContact C-N 3.26Å; T494-F496 PolarHBondContact O-N 2.83Å; T494-L497 PolarHBondContact O-N 2.96Å; T494-E498 WeakPolarHBondContact O-CG 3.43Å; T494-E498 PolarHBondContact O-N 2.84Å
495R91.3Very high90.8Very high83 Ų8368.7 Ų68.731%0.31333%0.33SS..Hα-helixtrans-61.7-32.9174.7-77.6-175.6-74.2149.6-9.4112.6I427 E430 E491 T492 E493 N499I427-R495 HydrophobicContact CD1-CB 4.19Å; I427-R495 HydrophobicContact CG1-CB 4.4Å; I427-R495 HydrophobicContact CG2-CB 4.29Å; E430-R495 VanDerWaalsContact CD-NH2 3.3Å; E430-R495 IonicContact OE1-NH2 3.88Å; E430-R495 PolarHBondContact OE1-NH2 3.29Å; E430-R495 VanDerWaalsContact OE1-NH2 3.12Å; E430-R495 IonicContact OE2-CZ 3.44Å; E430-R495 VanDerWaalsContact OE2-CZ 3.28Å; E430-R495 IonicContact OE2-NH1 3.09Å; E430-R495 PolarHBondContact OE2-NH1 3.33Å; E430-R495 IonicContact OE2-NH2 3.14Å; E430-R495 PolarHBondContact OE2-NH2 2.88Å; E491-R495 WeakPolarHBondContact O-CG 3.49Å; E491-R495 PolarHBondContact O-NE 2.68Å; T492-R495 PolarHBondContact O-N 2.75Å; E493-R495 PolarHBondContact O-N 3.18Å; R495-N499 WeakPolarHBondContact O-CB 3.27Å; R495-N499 PolarHBondContact O-N 3.01Å
496F89.8Confident90.6Very high41 Ų4168.3 Ų68.318%0.1833%0.328CS..Hα-helixtrans-70.2-41.4175.8-165.5-88.7000111.4R424 I427 R428 T492 E493 T494 N499 D500R424-F496 HydrophobicContact CG-CD2 4.36Å; R424-F496 HydrophobicContact CG-CE2 3.71Å; R424-F496 HydrophobicContact CG-CZ 4.2Å; I427-F496 HydrophobicContact CG2-CB 3.98Å; I427-F496 HydrophobicContact CG2-CD2 4.11Å; R428-F496 HydrophobicContact CB-CE2 4.26Å; T492-F496 PolarHBondContact O-N 2.99Å; E493-F496 WeakPolarHBondContact O-CB 3.37Å; E493-F496 PolarHBondContact O-N 2.85Å; T494-F496 VanDerWaalsContact C-N 3.26Å; T494-F496 PolarHBondContact O-N 2.83Å; F496-N499 WeakPolarHBondContact O-CB 3.42Å; F496-N499 PolarHBondContact O-N 2.77Å; F496-D500 PolarHBondContact O-N 2.92Å
497L90.1Very high90.3Very high111 Ų11167.7 Ų67.758%0.58132%0.32SS*.Hα-helixtrans-64.4-38.9174-67.2167.4000112.3E493 T494 N499 D500 G501E493-L497 WeakPolarHBondContact O-CG 3.47Å; E493-L497 PolarHBondContact O-N 3.08Å; T494-L497 PolarHBondContact O-N 2.96Å; L497-N499 VanDerWaalsContact C-N 3.34Å; L497-N499 PolarHBondContact O-N 2.62Å; L497-D500 WeakPolarHBondContact O-CB 3.4Å; L497-D500 PolarHBondContact O-N 3.23Å; L497-G501 PolarHBondContact O-N 3.04Å
498E90.4Very high89.9Confident124 Ų12465.2 Ų65.258%0.57931%0.314SS*.Hα-helixtrans-62-39.7172.2-72.1164.9-169.800112.1T494 G501 L502T494-E498 WeakPolarHBondContact O-CG 3.43Å; T494-E498 PolarHBondContact O-N 2.84Å; E498-G501 PolarHBondContact O-N 2.99Å; E498-L502 PolarHBondContact O-N 3.08Å
499N92.6Very high89.5Confident4 Ų465.3 Ų65.32%0.02132%0.318CS..Hα-helixtrans-66.9-37.2173.2-179.4-83000112.3I420 R424 I427 R495 F496 L497 L502 L503I420-N499 PolarHBondContact O-ND2 3.1Å; R424-N499 WeakPolarHBondContact CB-OD1 3.38Å; R424-N499 VanDerWaalsContact CD-OD1 3.32Å; R424-N499 WeakPolarHBondContact CD-OD1 3.4Å; R424-N499 VanDerWaalsContact CG-OD1 3.22Å; R424-N499 WeakPolarHBondContact CG-OD1 3.33Å; R424-N499 PolarHBondContact N-ND2 3.46Å; R424-N499 PolarHBondContact NH1-OD1 3.06Å; I427-N499 HydrophobicContact CD1-CB 4.14Å; R495-N499 WeakPolarHBondContact O-CB 3.27Å; R495-N499 PolarHBondContact O-N 3.01Å; F496-N499 WeakPolarHBondContact O-CB 3.42Å; F496-N499 PolarHBondContact O-N 2.77Å; L497-N499 VanDerWaalsContact C-N 3.34Å; L497-N499 PolarHBondContact O-N 2.62Å; N499-L502 WeakPolarHBondContact O-CA 3.28Å; N499-L502 WeakPolarHBondContact O-CB 2.88Å; N499-L502 PolarHBondContact O-N 2.94Å; N499-L503 PolarHBondContact O-N 2.95Å
500D89.1Confident89Confident45 Ų4564 Ų6424%0.24131%0.311CS..Hα-helixtrans-63.7-42.3174.6-13432.6000111.6R424 F496 L497 L502 L503 H504R424-D500 IonicContact CZ-OD1 2.66Å; R424-D500 IonicContact NH1-OD1 2.66Å; R424-D500 PolarHBondContact NH1-OD1 3.04Å; R424-D500 IonicContact NH2-OD1 3.48Å; R424-D500 PolarHBondContact NH2-OD1 3.23Å; F496-D500 PolarHBondContact O-N 2.92Å; L497-D500 WeakPolarHBondContact O-CB 3.4Å; L497-D500 PolarHBondContact O-N 3.23Å; D500-L502 PolarHBondContact O-N 2.96Å; D500-L503 PolarHBondContact O-N 2.81Å; D500-H504 PolarHBondContact O-N 2.96Å
501G89.7Confident88.6Confident35 Ų3562.7 Ų62.736%0.36131%0.305SS..Hα-helixtrans-66.9-11.6170.900000114.9L497 E498 R505L497-G501 PolarHBondContact O-N 3.04Å; E498-G501 PolarHBondContact O-N 2.99Å; G501-R505 PolarHBondContact O-NE 3.49Å; G501-R505 PolarHBondContact O-NH2 2.96Å
502L90.3Very high87.9Confident75 Ų7565.8 Ų65.839%0.39332%0.323SS..Hα-helixtrans-89.3-44.6166.3-76.4161.7000110.9I420 E498 N499 D500 H504 R505 V506I420-L502 HydrophobicContact CD1-CB 4.03Å; I420-L502 HydrophobicContact CG1-CB 4.21Å; E498-L502 PolarHBondContact O-N 3.08Å; N499-L502 WeakPolarHBondContact O-CA 3.28Å; N499-L502 WeakPolarHBondContact O-CB 2.88Å; N499-L502 PolarHBondContact O-N 2.94Å; D500-L502 PolarHBondContact O-N 2.96Å; L502-H504 PolarHBondContact O-N 3.42Å; L502-R505 WeakPolarHBondContact O-CB 3.31Å; L502-R505 PolarHBondContact O-N 2.94Å; L502-R505 VanDerWaalsContact O-N 3.11Å; L502-V506 PolarHBondContact O-N 2.97Å
503L89.3Confident87Confident4 Ų467.8 Ų67.82%0.02133%0.334CS..Hα-helixtrans-58.5-45.7178-178.559.9000111.7I420 F421 N499 D500 R505 V506 E507I420-L503 HydrophobicContact CG2-CB 4.06Å; I420-L503 HydrophobicContact CG2-CD1 4.3Å; F421-L503 HydrophobicContact CD2-CD1 4.48Å; F421-L503 HydrophobicContact CE2-CD1 3.67Å; F421-L503 HydrophobicContact CZ-CD1 4.03Å; F421-L503 HydrophobicContact CZ-CD2 4.31Å; N499-L503 PolarHBondContact O-N 2.95Å; D500-L503 PolarHBondContact O-N 2.81Å; L503-R505 PolarHBondContact O-N 3.33Å; L503-V506 PolarHBondContact O-N 3.22Å; L503-E507 HydrophobicContact CD1-CG 4.45Å; L503-E507 HydrophobicContact CG-CG 4.41Å; L503-E507 WeakPolarHBondContact O-CG 3.12Å; L503-E507 PolarHBondContact O-N 3.14Å
504H88.1Confident85.6Confident95 Ų9567.4 Ų67.444%0.4433%0.331SS..Hα-helixtrans-63.7-25.5177.1-75.4-32.7000114.1D500 L502 E507 N508D500-H504 PolarHBondContact O-N 2.96Å; L502-H504 PolarHBondContact O-N 3.42Å; H504-E507 IonicContact CE1-OE2 3.69Å; H504-E507 IonicContact CG-OE2 3.72Å; H504-E507 IonicContact ND1-OE2 2.75Å; H504-E507 PolarHBondContact ND1-OE2 3.15Å; H504-N508 WeakPolarHBondContact O-CB 3.43Å; H504-N508 PolarHBondContact O-N 3.1Å; H504-N508 PolarHBondContact O-ND2 2.88Å
505R88.4Confident84Confident143 Ų14368.5 Ų68.554%0.5434%0.341SS..Hα-helixtrans-70.1-48.5172-84.8177.1-81.9172.7-6.2110.6G501 L502 L503 E507 N508 E509G501-R505 PolarHBondContact O-NE 3.49Å; G501-R505 PolarHBondContact O-NH2 2.96Å; L502-R505 WeakPolarHBondContact O-CB 3.31Å; L502-R505 PolarHBondContact O-N 2.94Å; L502-R505 VanDerWaalsContact O-N 3.11Å; L503-R505 PolarHBondContact O-N 3.33Å; R505-E507 PolarHBondContact O-N 3.02Å; R505-N508 PolarHBondContact O-N 2.76Å; R505-E509 PolarHBondContact O-N 3.25Å
506V86.7Confident82.4Confident8 Ų866.9 Ų66.95%0.04834%0.339CS..Hα-helixtrans-65.4-37.9176.8174.20000112V413 A416 L417 I420 L502 L503 N508 E509 I510V413-V506 HydrophobicContact CG1-CG1 4.13Å; A416-V506 HydrophobicContact CB-CG2 4.25Å; L417-V506 HydrophobicContact CD1-CG1 4.11Å; I420-V506 HydrophobicContact CD1-CB 4.19Å; I420-V506 HydrophobicContact CD1-CG2 3.48Å; I420-V506 VanDerWaalsContact CD1-CG2 3.48Å; L502-V506 PolarHBondContact O-N 2.97Å; L503-V506 PolarHBondContact O-N 3.22Å; V506-N508 PolarHBondContact O-N 3.39Å; V506-E509 PolarHBondContact O-N 2.78Å; V506-I510 HydrophobicContact CG1-CD1 3.99Å; V506-I510 HydrophobicContact CG1-CG1 4.45Å; V506-I510 VanDerWaalsContact O-CG1 3.28Å; V506-I510 WeakPolarHBondContact O-CG1 3.47Å; V506-I510 PolarHBondContact O-N 3.23Å
507E85.9Confident81Confident27 Ų2771.5 Ų71.513%0.12637%0.365CS..Hα-helixtrans-59-34.4170.7-78.3-177.6154.400112.5L503 H504 R505 K511 L527 R531L503-E507 HydrophobicContact CD1-CG 4.45Å; L503-E507 HydrophobicContact CG-CG 4.41Å; L503-E507 WeakPolarHBondContact O-CG 3.12Å; L503-E507 PolarHBondContact O-N 3.14Å; H504-E507 IonicContact CE1-OE2 3.69Å; H504-E507 IonicContact CG-OE2 3.72Å; H504-E507 IonicContact ND1-OE2 2.75Å; H504-E507 PolarHBondContact ND1-OE2 3.15Å; R505-E507 PolarHBondContact O-N 3.02Å; E507-K511 WeakPolarHBondContact O-CD 3.42Å; E507-K511 WeakPolarHBondContact O-CE 3.02Å; E507-K511 WeakPolarHBondContact O-CG 3.49Å; E507-K511 PolarHBondContact O-N 3.46Å; E507-K511 VanDerWaalsContact O-N 3.1Å; E507-L527 HydrophobicContact CG-CD1 3.69Å; E507-R531 IonicContact OE1-CZ 3.62Å; E507-R531 IonicContact OE1-NH2 2.99Å; E507-R531 PolarHBondContact OE1-NH2 2.81Å
508N85.9Confident79.6Confident80 Ų8073 Ų7343%0.42837%0.369SS..Hα-helixtrans-80.4-32.9177.6-69.3-17.7000112.2H504 R505 V506 K511 L512H504-N508 WeakPolarHBondContact O-CB 3.43Å; H504-N508 PolarHBondContact O-N 3.1Å; H504-N508 PolarHBondContact O-ND2 2.88Å; R505-N508 PolarHBondContact O-N 2.76Å; V506-N508 PolarHBondContact O-N 3.39Å; N508-K511 PolarHBondContact O-N 3.03Å; N508-K511 PolarHBondContact OD1-NZ 3.48Å; N508-L512 VanDerWaalsContact O-CG 3.3Å; N508-L512 WeakPolarHBondContact O-CG 3.49Å; N508-L512 PolarHBondContact O-N 3.33Å
509E83.9Confident78.4Confident89 Ų8969.7 Ų69.742%0.41636%0.358SS..Hα-helixtrans-62-44.7168.7-70.8167.9-162.100111.2R505 V506 K511 L512 L513R505-E509 PolarHBondContact O-N 3.25Å; V506-E509 PolarHBondContact O-N 2.78Å; E509-K511 VanDerWaalsContact C-N 3.34Å; E509-K511 PolarHBondContact O-N 3.2Å; E509-L512 PolarHBondContact O-N 3.32Å; E509-L512 VanDerWaalsContact O-N 3.15Å; E509-L513 WeakPolarHBondContact O-CG 3.4Å; E509-L513 PolarHBondContact O-N 3.16Å
510I82.6Confident77.3Confident3 Ų369.7 Ų69.72%0.01536%0.358CS..Hα-helixtrans-59.6-42.4173.2-67.1166.3000111V413 L417 V506 L512 L513 L523 E524 L527V413-I510 HydrophobicContact CG1-CD1 4.26Å; V413-I510 HydrophobicContact CG1-CG1 3.71Å; L417-I510 HydrophobicContact CD1-CD1 4.43Å; V506-I510 HydrophobicContact CG1-CD1 3.99Å; V506-I510 HydrophobicContact CG1-CG1 4.45Å; V506-I510 VanDerWaalsContact O-CG1 3.28Å; V506-I510 WeakPolarHBondContact O-CG1 3.47Å; V506-I510 PolarHBondContact O-N 3.23Å; I510-L512 VanDerWaalsContact C-N 3.34Å; I510-L512 PolarHBondContact O-N 3.07Å; I510-L513 PolarHBondContact O-N 3.4Å; I510-L523 HydrophobicContact CD1-CB 4.29Å; I510-L523 HydrophobicContact CG1-CB 4.19Å; I510-L523 HydrophobicContact CG1-CD1 4.35Å; I510-L523 HydrophobicContact CG2-CB 4.17Å; I510-E524 HydrophobicContact CG2-CG 3.81Å; I510-L527 HydrophobicContact CD1-CD1 3.86Å
511K82.4Confident76.6Confident100 Ų10072.6 Ų72.644%0.43537%0.37SS..Hα-helixtrans-64.7-33.3175.3-70.9162.8-153160.30113.3E507 N508 E509 L513 K514E507-K511 WeakPolarHBondContact O-CD 3.42Å; E507-K511 WeakPolarHBondContact O-CE 3.02Å; E507-K511 WeakPolarHBondContact O-CG 3.49Å; E507-K511 PolarHBondContact O-N 3.46Å; E507-K511 VanDerWaalsContact O-N 3.1Å; N508-K511 PolarHBondContact O-N 3.03Å; N508-K511 PolarHBondContact OD1-NZ 3.48Å; E509-K511 VanDerWaalsContact C-N 3.34Å; E509-K511 PolarHBondContact O-N 3.2Å; K511-L513 VanDerWaalsContact C-N 3.33Å; K511-K514 VanDerWaalsContact O-CB 3.29Å; K511-K514 WeakPolarHBondContact O-CB 3.41Å; K511-K514 WeakPolarHBondContact O-CG 3.29Å; K511-K514 PolarHBondContact O-N 2.89Å
512L78.2Confident76.1Confident140 Ų14073.9 Ų73.973%0.73337%0.371SS*.Hα-helixtrans-73.1-26.8175.8-70.9165.8000112.2N508 E509 I510 K514N508-L512 VanDerWaalsContact O-CG 3.3Å; N508-L512 WeakPolarHBondContact O-CG 3.49Å; N508-L512 PolarHBondContact O-N 3.33Å; E509-L512 PolarHBondContact O-N 3.32Å; E509-L512 VanDerWaalsContact O-N 3.15Å; I510-L512 VanDerWaalsContact C-N 3.34Å; I510-L512 PolarHBondContact O-N 3.07Å; L512-K514 PolarHBondContact O-N 3.09Å
513L71.9Confident75.6Confident42 Ų4270.3 Ų70.322%0.2235%0.353CS..G310 helixtrans-74.7-5.2174.1-69.8170.1000114.3V413 E509 I510 K511 S515 N516 L523V413-L513 HydrophobicContact CG2-CD1 4.07Å; E509-L513 WeakPolarHBondContact O-CG 3.4Å; E509-L513 PolarHBondContact O-N 3.16Å; I510-L513 PolarHBondContact O-N 3.4Å; K511-L513 VanDerWaalsContact C-N 3.33Å; L513-S515 PolarHBondContact O-N 3.11Å; L513-N516 PolarHBondContact O-N 3.2Å; L513-L523 HydrophobicContact CD1-CD1 4.07Å
514K60Low75.2Confident94 Ų9474 Ų7441%0.40937%0.37SS..G310 helixtrans-610.9176.3-73.2179.8174.5-67.10115.8K511 L512 N516 S520 E524K511-K514 VanDerWaalsContact O-CB 3.29Å; K511-K514 WeakPolarHBondContact O-CB 3.41Å; K511-K514 WeakPolarHBondContact O-CG 3.29Å; K511-K514 PolarHBondContact O-N 2.89Å; L512-K514 PolarHBondContact O-N 3.09Å; K514-N516 PolarHBondContact O-N 3.38Å; K514-S520 WeakPolarHBondContact CG-OG 3.39Å; K514-E524 WeakPolarHBondContact CE-OE1 3.38Å; K514-E524 IonicContact NZ-OE1 2.62Å; K514-E524 PolarHBondContact NZ-OE1 3.26Å; K514-E524 IonicContact NZ-OE2 2.77Å; K514-E524 PolarHBondContact NZ-OE2 2.91Å
515S58.2Low75Confident96 Ų9674.5 Ų74.567%0.67137%0.371SS*.G310 helixtrans-74.5-0.7168.250.80000114L513L513-S515 PolarHBondContact O-N 3.11Å
516N56.5Low74.7Confident49 Ų4970.2 Ų70.226%0.26236%0.358SS..SBendtrans-141.197.1178.7-55.5-97.7000109.7K406 L513 K514 Q518 T519 S520K406-N516 PolarHBondContact NZ-OD1 3.25Å; L513-N516 PolarHBondContact O-N 3.2Å; K514-N516 PolarHBondContact O-N 3.38Å; N516-Q518 PolarHBondContact O-N 2.88Å; N516-T519 WeakPolarHBondContact CB-OG1 3.31Å; N516-T519 PolarHBondContact O-N 3.13Å; N516-T519 PolarHBondContact O-OG1 3.3Å; N516-T519 VanDerWaalsContact O-OG1 3.1Å; N516-S520 PolarHBondContact O-N 2.84Å
517D59.8Low74.7Confident137 Ų13770.8 Ų70.873%0.73336%0.361SS*.Hα-helixtrans-50.6-54.3-165.7-60.3-39000113.9T519 S520 E521D517-T519 PolarHBondContact O-N 3.43Å; D517-S520 PolarHBondContact O-N 3.18Å; D517-E521 PolarHBondContact O-N 3.29Å; D517-E521 VanDerWaalsContact O-N 3.1Å
518Q62.3Low74.7Confident142 Ų14276.4 Ų76.466%0.66438%0.382SS*.Hα-helixtrans-64.4-37.8-173.4-70.6-177.2-22.100113.7N516N516-Q518 PolarHBondContact O-N 2.88Å
519T65.1Low74.7Confident55 Ų5575.7 Ų75.734%0.33738%0.383SS..Hα-helixtrans-77-29.8179.442.30000113F410 N516 D517F410-T519 HydrophobicContact CD2-CG2 4.26Å; N516-T519 WeakPolarHBondContact CB-OG1 3.31Å; N516-T519 PolarHBondContact O-N 3.13Å; N516-T519 PolarHBondContact O-OG1 3.3Å; N516-T519 VanDerWaalsContact O-OG1 3.1Å; D517-T519 PolarHBondContact O-N 3.43Å
520S68.2Low74.8Confident5 Ų573.5 Ų73.54%0.03537%0.373CS..Hα-helixtrans-73.2-39.5176.6-174.10000111.7K514 N516 D517 V522 L523 E524K514-S520 WeakPolarHBondContact CG-OG 3.39Å; N516-S520 PolarHBondContact O-N 2.84Å; D517-S520 PolarHBondContact O-N 3.18Å; S520-V522 VanDerWaalsContact C-N 3.3Å; S520-V522 PolarHBondContact O-N 3.12Å; S520-L523 PolarHBondContact O-N 3.39Å; S520-E524 PolarHBondContact O-N 3.4Å; S520-E524 VanDerWaalsContact O-N 3.08Å
521E75.4Confident75Confident105 Ų10578.2 Ų78.249%0.49139%0.39SS..Hα-helixtrans-64.5-34.2-176.8-155-155.5173.100112.3D517 K525D517-E521 PolarHBondContact O-N 3.29Å; D517-E521 VanDerWaalsContact O-N 3.1Å; E521-K525 WeakPolarHBondContact O-CD 3.39Å; E521-K525 VanDerWaalsContact O-CG 3.29Å; E521-K525 WeakPolarHBondContact O-CG 3.39Å; E521-K525 PolarHBondContact O-N 2.9Å; E521-K525 VanDerWaalsContact O-N 3.13Å; E521-K525 WeakPolarHBondContact OE1-CE 3.42Å; E521-K525 IonicContact OE1-NZ 3.83Å; E521-K525 PolarHBondContact OE1-NZ 3.39Å; E521-K525 IonicContact OE2-NZ 2.7Å; E521-K525 PolarHBondContact OE2-NZ 3.03Å
522V78.8Confident75.3Confident62 Ų6276.7 Ų76.738%0.37639%0.386SS..Hα-helixtrans-68.1-46.9175.9178.10000111.2F410 S520 E524 K525 D526F410-V522 HydrophobicContact CE2-CB 4.11Å; F410-V522 HydrophobicContact CE2-CG1 4.09Å; F410-V522 HydrophobicContact CZ-CB 4.32Å; F410-V522 HydrophobicContact CZ-CG1 3.78Å; S520-V522 VanDerWaalsContact C-N 3.3Å; S520-V522 PolarHBondContact O-N 3.12Å; V522-E524 VanDerWaalsContact C-N 3.3Å; V522-E524 PolarHBondContact O-N 2.84Å; V522-K525 WeakPolarHBondContact O-CB 3.44Å; V522-K525 PolarHBondContact O-N 2.8Å; V522-K525 VanDerWaalsContact O-N 3.1Å; V522-D526 PolarHBondContact O-N 3.08Å
523L79.6Confident75.7Confident1 Ų175 Ų751%0.00537%0.374CS..Hα-helixtrans-65.2-32179-67.7172.6000112.8F410 V413 I510 L513 S520 L527F410-L523 HydrophobicContact CD2-CD1 3.93Å; F410-L523 HydrophobicContact CD2-CD2 4.09Å; F410-L523 HydrophobicContact CD2-CG 3.87Å; F410-L523 HydrophobicContact CE2-CD1 4.2Å; F410-L523 HydrophobicContact CE2-CD2 3.76Å; F410-L523 HydrophobicContact CE2-CG 3.61Å; F410-L523 HydrophobicContact CZ-CD2 4.07Å; F410-L523 HydrophobicContact CZ-CG 4.38Å; V413-L523 HydrophobicContact CB-CD1 4.36Å; V413-L523 HydrophobicContact CG1-CD1 3.98Å; V413-L523 HydrophobicContact CG1-CD2 4.43Å; I510-L523 HydrophobicContact CD1-CB 4.29Å; I510-L523 HydrophobicContact CG1-CB 4.19Å; I510-L523 HydrophobicContact CG1-CD1 4.35Å; I510-L523 HydrophobicContact CG2-CB 4.17Å; L513-L523 HydrophobicContact CD1-CD1 4.07Å; S520-L523 PolarHBondContact O-N 3.39Å; L523-L527 VanDerWaalsContact O-CB 3.28Å; L523-L527 WeakPolarHBondContact O-CB 3.23Å; L523-L527 PolarHBondContact O-N 3.42Å
524E80.8Confident76.4Confident81 Ų8174.1 Ų74.138%0.37937%0.37SS..Hα-helixtrans-70.6-34.5173-70.9-171.3138.800112.3I510 K514 S520 V522 Y528I510-E524 HydrophobicContact CG2-CG 3.81Å; K514-E524 WeakPolarHBondContact CE-OE1 3.38Å; K514-E524 IonicContact NZ-OE1 2.62Å; K514-E524 PolarHBondContact NZ-OE1 3.26Å; K514-E524 IonicContact NZ-OE2 2.77Å; K514-E524 PolarHBondContact NZ-OE2 2.91Å; S520-E524 PolarHBondContact O-N 3.4Å; S520-E524 VanDerWaalsContact O-N 3.08Å; V522-E524 VanDerWaalsContact C-N 3.3Å; V522-E524 PolarHBondContact O-N 2.84Å; E524-Y528 WeakPolarHBondContact O-CB 3.38Å; E524-Y528 PolarHBondContact O-N 2.97Å
525K84.1Confident77.6Confident106 Ų10674 Ų7446%0.46137%0.371SS..Hα-helixtrans-67.7-45171.7-72.7165.6-174.2168.50111.8E521 V522 L527 Y528 C529E521-K525 WeakPolarHBondContact O-CD 3.39Å; E521-K525 VanDerWaalsContact O-CG 3.29Å; E521-K525 WeakPolarHBondContact O-CG 3.39Å; E521-K525 PolarHBondContact O-N 2.9Å; E521-K525 VanDerWaalsContact O-N 3.13Å; E521-K525 WeakPolarHBondContact OE1-CE 3.42Å; E521-K525 IonicContact OE1-NZ 3.83Å; E521-K525 PolarHBondContact OE1-NZ 3.39Å; E521-K525 IonicContact OE2-NZ 2.7Å; E521-K525 PolarHBondContact OE2-NZ 3.03Å; V522-K525 WeakPolarHBondContact O-CB 3.44Å; V522-K525 PolarHBondContact O-N 2.8Å; V522-K525 VanDerWaalsContact O-N 3.1Å; K525-L527 PolarHBondContact O-N 2.85Å; K525-Y528 WeakPolarHBondContact O-CB 3.44Å; K525-Y528 PolarHBondContact O-N 3.19Å; K525-C529 PolarHBondContact O-N 2.75Å; K525-C529 PolarHBondContact O-SG 3.48Å; K525-C529 VanDerWaalsContact O-SG 3.36Å
526D83.3Confident78.9Confident53 Ų5372.8 Ų72.828%0.28336%0.359SS..Hα-helixtrans-60-44.3176.5-69.9-17.2000111.6L417 V522 Y528 C529 H530L417-D526 HydrophobicContact CD2-CB 3.95Å; V522-D526 PolarHBondContact O-N 3.08Å; D526-Y528 VanDerWaalsContact C-N 3.34Å; D526-Y528 PolarHBondContact O-N 2.92Å; D526-C529 PolarHBondContact O-N 3.26Å; D526-H530 PolarHBondContact O-N 3.21Å
527L85.9Confident80.2Confident20 Ų2074 Ų7411%0.10537%0.366CS..Hα-helixtrans-63.8-37.7176.3-177.3148.3000112.2L417 E507 I510 L523 K525 R531L417-L527 HydrophobicContact CD1-CB 4.15Å; L417-L527 HydrophobicContact CD1-CD1 3.89Å; L417-L527 HydrophobicContact CD1-CG 4.17Å; L417-L527 HydrophobicContact CD2-CB 4.28Å; E507-L527 HydrophobicContact CG-CD1 3.69Å; I510-L527 HydrophobicContact CD1-CD1 3.86Å; L523-L527 VanDerWaalsContact O-CB 3.28Å; L523-L527 WeakPolarHBondContact O-CB 3.23Å; L523-L527 PolarHBondContact O-N 3.42Å; K525-L527 PolarHBondContact O-N 2.85Å; L527-R531 WeakPolarHBondContact O-CB 3.25Å; L527-R531 PolarHBondContact O-N 3.22Å; L527-R531 VanDerWaalsContact O-N 3.12Å
528Y85.6Confident81.4Confident144 Ų14468.7 Ų68.757%0.56534%0.337SS*.Hα-helixtrans-67.4-43.1174-177.8-106.7000111.9E524 K525 D526 R531 L532E524-Y528 WeakPolarHBondContact O-CB 3.38Å; E524-Y528 PolarHBondContact O-N 2.97Å; K525-Y528 WeakPolarHBondContact O-CB 3.44Å; K525-Y528 PolarHBondContact O-N 3.19Å; D526-Y528 VanDerWaalsContact C-N 3.34Å; D526-Y528 PolarHBondContact O-N 2.92Å; Y528-R531 WeakPolarHBondContact O-CB 3.47Å; Y528-R531 PolarHBondContact O-N 3.32Å; Y528-L532 HydrophobicContact CD1-CD1 3.99Å; Y528-L532 HydrophobicContact CE1-CD1 3.45Å; Y528-L532 VanDerWaalsContact CE1-CD1 3.45Å; Y528-L532 HydrophobicContact CE1-CG 4.19Å; Y528-L532 PolarHBondContact O-N 2.99Å
529C85.3Confident82.4Confident66 Ų6667.1 Ų67.145%0.44633%0.333SS..Hα-helixtrans-58.3-52.7174.8-74.20000111.8K525 D526 R531 L532 E533K525-C529 PolarHBondContact O-N 2.75Å; K525-C529 PolarHBondContact O-SG 3.48Å; K525-C529 VanDerWaalsContact O-SG 3.36Å; D526-C529 PolarHBondContact O-N 3.26Å; C529-R531 VanDerWaalsContact C-N 3.26Å; C529-R531 PolarHBondContact O-N 3.21Å; C529-L532 PolarHBondContact O-N 2.79Å; C529-L532 VanDerWaalsContact O-N 3.09Å; C529-E533 WeakPolarHBondContact O-CG 3.18Å; C529-E533 PolarHBondContact O-N 3.46Å
530H86.5Confident83.2Confident43 Ų4370.1 Ų70.120%0.19934%0.341CS..Hα-helixtrans-62.6-30.7177.9-73.3-36.2000113.4F421 D526 E533 L534F421-H530 HydrophobicContact CB-CB 4.2Å; F421-H530 HydrophobicContact CD1-CB 3.7Å; F421-H530 HydrophobicContact CD2-CB 3.73Å; F421-H530 HydrophobicContact CE1-CB 3.89Å; F421-H530 HydrophobicContact CE2-CB 3.92Å; F421-H530 HydrophobicContact CG-CB 3.61Å; F421-H530 HydrophobicContact CZ-CB 4Å; D526-H530 PolarHBondContact O-N 3.21Å; H530-E533 IonicContact CE1-OE2 3.63Å; H530-E533 IonicContact CG-OE2 3.61Å; H530-E533 IonicContact ND1-OE2 3.52Å; H530-E533 PolarHBondContact ND1-OE2 3.3Å; H530-L534 PolarHBondContact O-N 3.46Å; H530-L534 VanDerWaalsContact O-N 3.11Å
531R87.7Confident83.8Confident102 Ų10271.8 Ų71.839%0.38535%0.349SS..Hα-helixtrans-66.2-42.2172.7-173.2170.9-66.2-175.6-1.3111.9E507 L527 Y528 C529 Q535E507-R531 IonicContact OE1-CZ 3.62Å; E507-R531 IonicContact OE1-NH2 2.99Å; E507-R531 PolarHBondContact OE1-NH2 2.81Å; L527-R531 WeakPolarHBondContact O-CB 3.25Å; L527-R531 PolarHBondContact O-N 3.22Å; L527-R531 VanDerWaalsContact O-N 3.12Å; Y528-R531 WeakPolarHBondContact O-CB 3.47Å; Y528-R531 PolarHBondContact O-N 3.32Å; C529-R531 VanDerWaalsContact C-N 3.26Å; C529-R531 PolarHBondContact O-N 3.21Å; R531-Q535 WeakPolarHBondContact O-CG 3.19Å; R531-Q535 PolarHBondContact O-N 3.23Å
532L87.5Confident84Confident67 Ų6769.1 Ų69.135%0.35134%0.336SS..Hα-helixtrans-67.7-42.3174.1-71.9178.4000112.4Y528 C529 L534 Q535 V536Y528-L532 HydrophobicContact CD1-CD1 3.99Å; Y528-L532 HydrophobicContact CE1-CD1 3.45Å; Y528-L532 VanDerWaalsContact CE1-CD1 3.45Å; Y528-L532 HydrophobicContact CE1-CG 4.19Å; Y528-L532 PolarHBondContact O-N 2.99Å; C529-L532 PolarHBondContact O-N 2.79Å; C529-L532 VanDerWaalsContact O-N 3.09Å; L532-L534 VanDerWaalsContact C-N 3.3Å; L532-L534 PolarHBondContact O-N 2.93Å; L532-Q535 PolarHBondContact O-N 2.74Å; L532-V536 WeakPolarHBondContact O-CB 3.39Å; L532-V536 WeakPolarHBondContact O-CG2 3.2Å; L532-V536 PolarHBondContact O-N 2.77Å
533E86.9Confident84.1Confident104 Ų10471.6 Ų71.649%0.48635%0.346SS..Hα-helixtrans-56.7-44.3176.1-73.3-178.9141.200111.7C529 H530 V536 N537C529-E533 WeakPolarHBondContact O-CG 3.18Å; C529-E533 PolarHBondContact O-N 3.46Å; H530-E533 IonicContact CE1-OE2 3.63Å; H530-E533 IonicContact CG-OE2 3.61Å; H530-E533 IonicContact ND1-OE2 3.52Å; H530-E533 PolarHBondContact ND1-OE2 3.3Å; E533-V536 PolarHBondContact O-N 3.15Å; E533-N537 WeakPolarHBondContact O-CB 3.36Å; E533-N537 PolarHBondContact O-N 2.84Å; E533-N537 PolarHBondContact O-ND2 2.95Å
534L86.6Confident84.3Confident25 Ų2577.6 Ų77.613%0.13137%0.372CS..Hα-helixtrans-65.4-44.8178.1-166.8147.3000111.5F421 R424 H530 L532 V536 N537 D538F421-L534 HydrophobicContact CD1-CD1 4.37Å; R424-L534 HydrophobicContact CB-CD1 4.03Å; R424-L534 HydrophobicContact CG-CD1 3.73Å; H530-L534 PolarHBondContact O-N 3.46Å; H530-L534 VanDerWaalsContact O-N 3.11Å; L532-L534 VanDerWaalsContact C-N 3.3Å; L532-L534 PolarHBondContact O-N 2.93Å; L534-V536 PolarHBondContact O-N 2.79Å; L534-N537 PolarHBondContact O-N 3.36Å; L534-D538 PolarHBondContact O-N 2.98Å
535Q86Confident84.3Confident92 Ų9274.6 Ų74.643%0.4336%0.358SS..Hα-helixtrans-59.5-43.3174.6-73.3179.2-10.800112.7R531 L532 N537 D538 L539R531-Q535 WeakPolarHBondContact O-CG 3.19Å; R531-Q535 PolarHBondContact O-N 3.23Å; L532-Q535 PolarHBondContact O-N 2.74Å; Q535-N537 VanDerWaalsContact C-N 3.32Å; Q535-N537 PolarHBondContact O-N 3.4Å; Q535-D538 PolarHBondContact O-N 2.9Å; Q535-L539 WeakPolarHBondContact O-CB 3.41Å; Q535-L539 VanDerWaalsContact O-CG 3.32Å; Q535-L539 WeakPolarHBondContact O-CG 3.36Å; Q535-L539 PolarHBondContact O-N 2.62Å
536V84.4Confident84Confident69 Ų6974.4 Ų74.442%0.41836%0.36SS..Hα-helixtrans-64.8-37177.6167.10000111.4L532 E533 L534 K540L532-V536 WeakPolarHBondContact O-CB 3.39Å; L532-V536 WeakPolarHBondContact O-CG2 3.2Å; L532-V536 PolarHBondContact O-N 2.77Å; E533-V536 PolarHBondContact O-N 3.15Å; L534-V536 PolarHBondContact O-N 2.79Å; V536-K540 HydrophobicContact CG1-CD 4.15Å; V536-K540 VanDerWaalsContact CG1-CE 3.47Å; V536-K540 WeakPolarHBondContact O-CD 3.45Å; V536-K540 VanDerWaalsContact O-CG 3.23Å; V536-K540 WeakPolarHBondContact O-CG 3.44Å; V536-K540 PolarHBondContact O-N 2.92Å
537N83.7Confident83.9Confident76 Ų7676.5 Ų76.541%0.40637%0.374SS..Hα-helixtrans-73.5-40.3178.1-71-32.2000112.5E533 L534 Q535 K540 Q541E533-N537 WeakPolarHBondContact O-CB 3.36Å; E533-N537 PolarHBondContact O-N 2.84Å; E533-N537 PolarHBondContact O-ND2 2.95Å; L534-N537 PolarHBondContact O-N 3.36Å; Q535-N537 VanDerWaalsContact C-N 3.32Å; Q535-N537 PolarHBondContact O-N 3.4Å; N537-K540 PolarHBondContact O-N 3.05Å; N537-Q541 PolarHBondContact O-N 3.39Å
538D85.3Confident83.5Confident24 Ų2478.4 Ų78.413%0.12838%0.383CS..Hα-helixtrans-56.5-49170.7-92.638.2000111.4R428 L534 Q535 K540 Q541 H542R428-D538 WeakPolarHBondContact CG-OD1 3.48Å; R428-D538 IonicContact CZ-OD2 3.57Å; R428-D538 IonicContact NE-OD1 3.96Å; R428-D538 IonicContact NE-OD2 3.65Å; R428-D538 PolarHBondContact NE-OD2 2.97Å; R428-D538 IonicContact NH2-OD2 2.72Å; R428-D538 PolarHBondContact NH2-OD2 2.81Å; L534-D538 PolarHBondContact O-N 2.98Å; Q535-D538 PolarHBondContact O-N 2.9Å; D538-K540 PolarHBondContact O-N 3.14Å; D538-Q541 PolarHBondContact O-N 2.85Å; D538-Q541 VanDerWaalsContact O-N 3.17Å; D538-H542 PolarHBondContact O-CD2 3.05Å; D538-H542 PolarHBondContact O-N 2.95Å
539L82.9Confident83Confident110 Ų11072.6 Ų72.658%0.57636%0.361SS*.Hα-helixtrans-62.1-42.9178.2-72.5170000112.1Q535 Q541 H542 I543Q535-L539 WeakPolarHBondContact O-CB 3.41Å; Q535-L539 VanDerWaalsContact O-CG 3.32Å; Q535-L539 WeakPolarHBondContact O-CG 3.36Å; Q535-L539 PolarHBondContact O-N 2.62Å; L539-Q541 VanDerWaalsContact C-N 3.31Å; L539-Q541 PolarHBondContact O-N 3.48Å; L539-H542 PolarHBondContact O-N 3.21Å; L539-I543 VanDerWaalsContact O-CG1 3.29Å; L539-I543 WeakPolarHBondContact O-CG1 3.34Å; L539-I543 PolarHBondContact O-N 3.05Å
540K83.7Confident82.6Confident118 Ų11872.8 Ų72.851%0.51336%0.36SS..Hα-helixtrans-59.2-41173.5-74.8166.3-176.9170.50111.8V536 N537 D538 K544V536-K540 HydrophobicContact CG1-CD 4.15Å; V536-K540 VanDerWaalsContact CG1-CE 3.47Å; V536-K540 WeakPolarHBondContact O-CD 3.45Å; V536-K540 VanDerWaalsContact O-CG 3.23Å; V536-K540 WeakPolarHBondContact O-CG 3.44Å; V536-K540 PolarHBondContact O-N 2.92Å; N537-K540 PolarHBondContact O-N 3.05Å; D538-K540 PolarHBondContact O-N 3.14Å; K540-K544 PolarHBondContact O-N 3.27Å
541Q80.3Confident82.2Confident40 Ų4074 Ų7419%0.18737%0.374CS..Hα-helixtrans-69.5-44.9176.7-75.5-162.9-83.500112.5L432 N537 D538 L539 I543 K544 Q545L432-Q541 HydrophobicContact CD1-CB 4.04Å; N537-Q541 PolarHBondContact O-N 3.39Å; D538-Q541 PolarHBondContact O-N 2.85Å; D538-Q541 VanDerWaalsContact O-N 3.17Å; L539-Q541 VanDerWaalsContact C-N 3.31Å; L539-Q541 PolarHBondContact O-N 3.48Å; Q541-I543 VanDerWaalsContact C-N 3.32Å; Q541-I543 PolarHBondContact O-N 3.25Å; Q541-K544 WeakPolarHBondContact O-CB 3.25Å; Q541-K544 PolarHBondContact O-N 3.21Å; Q541-K544 VanDerWaalsContact O-N 3.08Å; Q541-Q545 WeakPolarHBondContact O-CG 3.1Å; Q541-Q545 PolarHBondContact O-N 3.05Å
542H79.9Confident81.7Confident48 Ų4871.7 Ų71.722%0.22237%0.369CS..Hα-helixtrans-59.6-40.3176.5-79.1-51.8000112.4L432 D538 L539 K544 Q545 M546L432-H542 WeakPolarHBondContact CD2-CE1 3.38Å; D538-H542 PolarHBondContact O-CD2 3.05Å; D538-H542 PolarHBondContact O-N 2.95Å; L539-H542 PolarHBondContact O-N 3.21Å; H542-K544 VanDerWaalsContact C-N 3.34Å; H542-K544 PolarHBondContact O-N 3.21Å; H542-Q545 PolarHBondContact ND1-OE1 3.21Å; H542-Q545 PolarHBondContact O-N 3.49Å; H542-M546 WeakPolarHBondContact O-CB 3.37Å; H542-M546 VanDerWaalsContact O-CG 3.31Å; H542-M546 WeakPolarHBondContact O-CG 3.46Å; H542-M546 PolarHBondContact O-N 2.8Å
543I81.1Confident81Confident115 Ų11569.1 Ų69.159%0.5936%0.355SS*.Hα-helixtrans-61.1-43.3173.3-68.6164.8000110.9L539 Q541 M546 V547L539-I543 VanDerWaalsContact O-CG1 3.29Å; L539-I543 WeakPolarHBondContact O-CG1 3.34Å; L539-I543 PolarHBondContact O-N 3.05Å; Q541-I543 VanDerWaalsContact C-N 3.32Å; Q541-I543 PolarHBondContact O-N 3.25Å; I543-M546 PolarHBondContact O-N 2.78Å; I543-V547 WeakPolarHBondContact O-CG2 3.48Å; I543-V547 PolarHBondContact O-N 3.44Å; I543-V547 VanDerWaalsContact O-N 3.09Å
544K81.8Confident80.4Confident126 Ų12667.5 Ų67.555%0.54835%0.35SS..Hα-helixtrans-63.9-44176.2-178.8175.4171.7178.10112.3K540 Q541 H542 M546 V547 E548K540-K544 PolarHBondContact O-N 3.27Å; Q541-K544 WeakPolarHBondContact O-CB 3.25Å; Q541-K544 PolarHBondContact O-N 3.21Å; Q541-K544 VanDerWaalsContact O-N 3.08Å; H542-K544 VanDerWaalsContact C-N 3.34Å; H542-K544 PolarHBondContact O-N 3.21Å; K544-M546 VanDerWaalsContact C-N 3.35Å; K544-M546 PolarHBondContact O-N 3.39Å; K544-V547 PolarHBondContact O-N 3.4Å; K544-E548 WeakPolarHBondContact CE-OE1 3.35Å; K544-E548 IonicContact NZ-OE1 2.98Å; K544-E548 WeakPolarHBondContact O-CG 3.43Å; K544-E548 PolarHBondContact O-N 2.92Å
545Q81.9Confident80Confident19 Ų1972 Ų729%0.08937%0.37CS..Hα-helixtrans-59.3-44.7175.4-67.9169.8-2100111.7L432 R436 Q541 H542 E548 L549L432-Q545 VanDerWaalsContact C-NE2 3.35Å; L432-Q545 PolarHBondContact O-NE2 3.22Å; R436-Q545 HydrophobicContact CB-CG 4.01Å; R436-Q545 HydrophobicContact CG-CB 4.4Å; R436-Q545 HydrophobicContact CG-CG 4.24Å; Q541-Q545 WeakPolarHBondContact O-CG 3.1Å; Q541-Q545 PolarHBondContact O-N 3.05Å; H542-Q545 PolarHBondContact ND1-OE1 3.21Å; H542-Q545 PolarHBondContact O-N 3.49Å; Q545-E548 PolarHBondContact O-N 3.43Å; Q545-L549 WeakPolarHBondContact O-CB 3.19Å; Q545-L549 WeakPolarHBondContact O-CG 3.27Å; Q545-L549 PolarHBondContact O-N 3.35Å
546M78.3Confident79.4Confident102 Ų10269.5 Ų69.550%0.50236%0.358SS..Hα-helixtrans-58-50.1177-77.6-76-72.900110.9H542 I543 K544 E548 L549 T550H542-M546 WeakPolarHBondContact O-CB 3.37Å; H542-M546 VanDerWaalsContact O-CG 3.31Å; H542-M546 WeakPolarHBondContact O-CG 3.46Å; H542-M546 PolarHBondContact O-N 2.8Å; I543-M546 PolarHBondContact O-N 2.78Å; K544-M546 VanDerWaalsContact C-N 3.35Å; K544-M546 PolarHBondContact O-N 3.39Å; M546-E548 VanDerWaalsContact C-N 3.35Å; M546-E548 PolarHBondContact O-N 3.05Å; M546-L549 PolarHBondContact O-N 3Å; M546-T550 WeakPolarHBondContact O-CB 3.49Å; M546-T550 PolarHBondContact O-N 3.02Å; M546-T550 PolarHBondContact O-OG1 3.06Å; M546-T550 VanDerWaalsContact O-OG1 3.04Å
547V79.7Confident79Confident96 Ų9667.8 Ų67.858%0.58235%0.347SS*.Hα-helixtrans-60.2-43177.3172.70000111.7I543 K544 S551I543-V547 WeakPolarHBondContact O-CG2 3.48Å; I543-V547 PolarHBondContact O-N 3.44Å; I543-V547 VanDerWaalsContact O-N 3.09Å; K544-V547 PolarHBondContact O-N 3.4Å; V547-S551 WeakPolarHBondContact O-CB 3.32Å; V547-S551 PolarHBondContact O-N 2.85Å
548E77.8Confident78.7Confident61 Ų6168.7 Ų68.729%0.28535%0.347SS..Hα-helixtrans-62-46.3176.3-74.2172.7179.700111.8R436 K544 Q545 M546 S551 L552R436-E548 WeakPolarHBondContact CD-OE2 3.38Å; R436-E548 IonicContact CZ-OE2 3.25Å; R436-E548 IonicContact NE-OE2 2.75Å; R436-E548 PolarHBondContact NE-OE2 3.37Å; R436-E548 IonicContact NH1-OE2 2.64Å; R436-E548 PolarHBondContact NH1-OE2 3.1Å; K544-E548 WeakPolarHBondContact CE-OE1 3.35Å; K544-E548 IonicContact NZ-OE1 2.98Å; K544-E548 WeakPolarHBondContact O-CG 3.43Å; K544-E548 PolarHBondContact O-N 2.92Å; Q545-E548 PolarHBondContact O-N 3.43Å; M546-E548 VanDerWaalsContact C-N 3.35Å; M546-E548 PolarHBondContact O-N 3.05Å; E548-S551 PolarHBondContact O-N 3.13Å; E548-S551 PolarHBondContact O-OG 3.24Å; E548-L552 PolarHBondContact O-N 2.87Å
549L76.1Confident78.4Confident21 Ų2171.5 Ų71.511%0.1136%0.356CS..Hα-helixtrans-68.1-43.5178.3-71.2173.2000112.7K439 A440 Q545 M546 S551 L552 Q553K439-L549 HydrophobicContact CB-CD1 4.29Å; K439-L549 HydrophobicContact CB-CD2 4.38Å; A440-L549 HydrophobicContact CB-CD2 4.32Å; Q545-L549 WeakPolarHBondContact O-CB 3.19Å; Q545-L549 WeakPolarHBondContact O-CG 3.27Å; Q545-L549 PolarHBondContact O-N 3.35Å; M546-L549 PolarHBondContact O-N 3Å; L549-S551 VanDerWaalsContact C-N 3.27Å; L549-S551 PolarHBondContact O-N 2.91Å; L549-L552 WeakPolarHBondContact O-CB 3.2Å; L549-L552 PolarHBondContact O-N 3.47Å; L549-L552 VanDerWaalsContact O-N 3.14Å; L549-Q553 PolarHBondContact O-N 2.84Å; L549-Q553 VanDerWaalsContact O-N 3.15Å
550T76.1Confident77.9Confident70 Ų7067.6 Ų67.643%0.42934%0.335SS..Hα-helixtrans-58.1-41.8173.7-60.90000110.4M546 L552 Q553 D554M546-T550 WeakPolarHBondContact O-CB 3.49Å; M546-T550 PolarHBondContact O-N 3.02Å; M546-T550 PolarHBondContact O-OG1 3.06Å; M546-T550 VanDerWaalsContact O-OG1 3.04Å; T550-L552 PolarHBondContact O-N 2.99Å; T550-Q553 PolarHBondContact O-N 2.95Å; T550-D554 WeakPolarHBondContact O-CB 3.27Å; T550-D554 PolarHBondContact O-N 3.16Å
551S79.1Confident77.5Confident69 Ų6966.2 Ų66.248%0.48333%0.331SS..Hα-helixtrans-60.4-31.2178.281.40000113.9V547 E548 L549 Q555V547-S551 WeakPolarHBondContact O-CB 3.32Å; V547-S551 PolarHBondContact O-N 2.85Å; E548-S551 PolarHBondContact O-N 3.13Å; E548-S551 PolarHBondContact O-OG 3.24Å; L549-S551 VanDerWaalsContact C-N 3.27Å; L549-S551 PolarHBondContact O-N 2.91Å; S551-Q555 PolarHBondContact O-N 2.64Å; S551-Q555 VanDerWaalsContact O-N 3.08Å
552L75.8Confident77.4Confident53 Ų5371.1 Ų71.128%0.27735%0.351SS..Hα-helixtrans-74.5-45175.9-67.3171.7000111.8A440 L443 E548 L549 T550 D554 Q555 E556A440-L552 HydrophobicContact CB-CD1 4.46Å; L443-L552 HydrophobicContact CD2-CB 4.49Å; E548-L552 PolarHBondContact O-N 2.87Å; L549-L552 WeakPolarHBondContact O-CB 3.2Å; L549-L552 PolarHBondContact O-N 3.47Å; L549-L552 VanDerWaalsContact O-N 3.14Å; T550-L552 PolarHBondContact O-N 2.99Å; L552-D554 VanDerWaalsContact C-N 3.26Å; L552-D554 PolarHBondContact O-N 2.92Å; L552-Q555 WeakPolarHBondContact O-CB 3.33Å; L552-Q555 PolarHBondContact O-N 2.88Å; L552-E556 PolarHBondContact O-N 3.26Å
553Q74.5Confident77.2Confident14 Ų1471.2 Ų71.27%0.06535%0.352CS..Hα-helixtrans-56.8-43.9170.9-178.676.252.100110.3Y447 L549 T550 Q555 E556 N557Y447-Q553 PolarHBondContact OH-NE2 2.96Å; Y447-Q553 PolarHBondContact OH-OE1 2.82Å; Y447-Q553 VanDerWaalsContact OH-OE1 3.06Å; L549-Q553 PolarHBondContact O-N 2.84Å; L549-Q553 VanDerWaalsContact O-N 3.15Å; T550-Q553 PolarHBondContact O-N 2.95Å; Q553-Q555 VanDerWaalsContact C-N 3.29Å; Q553-Q555 PolarHBondContact O-N 2.98Å; Q553-E556 PolarHBondContact O-N 2.85Å; Q553-N557 PolarHBondContact NE2-OD1 2.99Å; Q553-N557 WeakPolarHBondContact O-CB 3.33Å; Q553-N557 PolarHBondContact O-N 3.17Å; Q553-N557 PolarHBondContact O-OD1 2.75Å
554D73.9Confident76.8Confident69 Ų6968.3 Ų68.337%0.36934%0.338SS..Hα-helixtrans-64.7-31.9-179.7-136.733.6000112.5T550 L552 K558T550-D554 WeakPolarHBondContact O-CB 3.27Å; T550-D554 PolarHBondContact O-N 3.16Å; L552-D554 VanDerWaalsContact C-N 3.26Å; L552-D554 PolarHBondContact O-N 2.92Å; D554-K558 WeakPolarHBondContact O-CB 3.45Å; D554-K558 WeakPolarHBondContact O-CD 3.31Å; D554-K558 WeakPolarHBondContact O-CE 3.37Å; D554-K558 WeakPolarHBondContact O-CG 3.18Å; D554-K558 PolarHBondContact O-N 3.44Å; D554-K558 VanDerWaalsContact O-N 3.09Å; D554-K558 VanDerWaalsContact OD2-CE 3.28Å; D554-K558 WeakPolarHBondContact OD2-CE 3.35Å; D554-K558 IonicContact OD2-NZ 2.67Å; D554-K558 PolarHBondContact OD2-NZ 3.18Å
555Q78.8Confident76.6Confident120 Ų12067.6 Ų67.656%0.56134%0.34SS*.Hα-helixtrans-67.9-46.5174.5-171.9-173.4-77.800111.9S551 L552 Q553 K558 R559S551-Q555 PolarHBondContact O-N 2.64Å; S551-Q555 VanDerWaalsContact O-N 3.08Å; L552-Q555 WeakPolarHBondContact O-CB 3.33Å; L552-Q555 PolarHBondContact O-N 2.88Å; Q553-Q555 VanDerWaalsContact C-N 3.29Å; Q553-Q555 PolarHBondContact O-N 2.98Å; Q555-K558 PolarHBondContact O-N 3.46Å; Q555-R559 PolarHBondContact O-N 3.3Å
556E73.5Confident76.5Confident39 Ų3969 Ų6918%0.18235%0.348CS..Hα-helixtrans-75.3-33.4-179.8-59.8-54.3120.200111.6Y447 L552 Q553 K558 R559 M560Y447-E556 HydrophobicContact CD2-CG 3.93Å; Y447-E556 HydrophobicContact CE1-CB 4.3Å; Y447-E556 HydrophobicContact CE2-CB 4.01Å; Y447-E556 HydrophobicContact CE2-CG 3.7Å; L552-E556 PolarHBondContact O-N 3.26Å; Q553-E556 PolarHBondContact O-N 2.85Å; E556-K558 VanDerWaalsContact C-N 3.3Å; E556-K558 PolarHBondContact O-N 2.85Å; E556-R559 CarbonylContact O-C 3.49Å; E556-R559 WeakPolarHBondContact O-CA 3.1Å; E556-R559 VanDerWaalsContact O-CB 3.29Å; E556-R559 WeakPolarHBondContact O-CB 3.11Å; E556-R559 PolarHBondContact O-N 2.73Å; E556-R559 WeakPolarHBondContact OE2-CD 3.32Å; E556-R559 IonicContact OE2-CZ 3.3Å; E556-R559 IonicContact OE2-NE 3.34Å; E556-R559 IonicContact OE2-NH1 3.3Å; E556-R559 PolarHBondContact OE2-NH1 2.98Å; E556-M560 PolarHBondContact O-N 2.73Å
557N74.9Confident76.4Confident33 Ų3366.5 Ų66.518%0.17634%0.336CS..Hα-helixtrans-55.5-45.3166.9-71.6-3.9000111.1Q553 R559 M560 Q561Q553-N557 PolarHBondContact NE2-OD1 2.99Å; Q553-N557 WeakPolarHBondContact O-CB 3.33Å; Q553-N557 PolarHBondContact O-N 3.17Å; Q553-N557 PolarHBondContact O-OD1 2.75Å; N557-R559 VanDerWaalsContact C-N 3.27Å; N557-R559 PolarHBondContact O-N 3.02Å; N557-M560 PolarHBondContact O-N 3.25Å; N557-Q561 WeakPolarHBondContact O-CB 3.49Å; N557-Q561 PolarHBondContact O-N 2.85Å
558K77.7Confident76.4Confident96 Ų9665.1 Ų65.142%0.41733%0.325SS..Hα-helixtrans-70.2-17.3175.4-71162.1-161.3163.80113.7D554 Q555 E556 K562D554-K558 WeakPolarHBondContact O-CB 3.45Å; D554-K558 WeakPolarHBondContact O-CD 3.31Å; D554-K558 WeakPolarHBondContact O-CE 3.37Å; D554-K558 WeakPolarHBondContact O-CG 3.18Å; D554-K558 PolarHBondContact O-N 3.44Å; D554-K558 VanDerWaalsContact O-N 3.09Å; D554-K558 VanDerWaalsContact OD2-CE 3.28Å; D554-K558 WeakPolarHBondContact OD2-CE 3.35Å; D554-K558 IonicContact OD2-NZ 2.67Å; D554-K558 PolarHBondContact OD2-NZ 3.18Å; Q555-K558 PolarHBondContact O-N 3.46Å; E556-K558 VanDerWaalsContact C-N 3.3Å; E556-K558 PolarHBondContact O-N 2.85Å; K558-K562 WeakPolarHBondContact O-CD 3.44Å; K558-K562 VanDerWaalsContact O-CE 3.31Å; K558-K562 WeakPolarHBondContact O-CE 3.49Å; K558-K562 VanDerWaalsContact O-CG 3.26Å; K558-K562 WeakPolarHBondContact O-CG 3.31Å
559R77.9Confident76.5Confident82 Ų8265.1 Ų65.131%0.30933%0.33SS..Hα-helixtrans-81.2-47.1170.4177.8-166.8174.1-167.5-6.5110.3D451 Q555 E556 N557 K562 M563 F893D451-R559 IonicContact OD1-CZ 3.12Å; D451-R559 IonicContact OD1-NH1 3.28Å; D451-R559 IonicContact OD1-NH2 3.74Å; D451-R559 PolarHBondContact OD1-NH2 2.71Å; D451-R559 IonicContact OD2-CZ 3Å; D451-R559 IonicContact OD2-NH1 2.71Å; D451-R559 PolarHBondContact OD2-NH1 2.87Å; D451-R559 IonicContact OD2-NH2 3.97Å; D451-R559 PolarHBondContact OD2-NH2 3.2Å; Q555-R559 PolarHBondContact O-N 3.3Å; E556-R559 CarbonylContact O-C 3.49Å; E556-R559 WeakPolarHBondContact O-CA 3.1Å; E556-R559 VanDerWaalsContact O-CB 3.29Å; E556-R559 WeakPolarHBondContact O-CB 3.11Å; E556-R559 PolarHBondContact O-N 2.73Å; E556-R559 WeakPolarHBondContact OE2-CD 3.32Å; E556-R559 IonicContact OE2-CZ 3.3Å; E556-R559 IonicContact OE2-NE 3.34Å; E556-R559 IonicContact OE2-NH1 3.3Å; E556-R559 PolarHBondContact OE2-NH1 2.98Å; N557-R559 VanDerWaalsContact C-N 3.27Å; N557-R559 PolarHBondContact O-N 3.02Å; R559-K562 WeakPolarHBondContact O-CB 3.12Å; R559-K562 PolarHBondContact O-N 3.38Å; R559-M563 PolarHBondContact O-N 3.49Å; R559-M563 VanDerWaalsContact O-N 3.14Å; R559-F893 VanDerWaalsContact NH2-CZ 3.3Å
560M72.6Confident76.6Confident29 Ų2964.5 Ų64.514%0.14333%0.328CS..Hα-helixtrans-62.6-44.2178.6-168.9149.878.200111.7E556 N557 K562 M563 L564 V644 F647E556-M560 PolarHBondContact O-N 2.73Å; N557-M560 PolarHBondContact O-N 3.25Å; M560-K562 VanDerWaalsContact C-N 3.28Å; M560-K562 PolarHBondContact O-N 2.57Å; M560-M563 WeakPolarHBondContact O-CA 3.5Å; M560-M563 WeakPolarHBondContact O-CB 3.32Å; M560-M563 PolarHBondContact O-N 2.98Å; M560-L564 HydrophobicContact CG-CD1 4.33Å; M560-L564 PolarHBondContact O-N 3.42Å; M560-V644 VanDerWaalsContact CE-O 3.31Å; M560-V644 WeakPolarHBondContact CE-O 3.36Å; M560-V644 HydrophobicContact CG-CG1 4.4Å; M560-V644 HydrophobicContact SD-CG1 3.86Å; M560-F647 HydrophobicContact CE-CD1 3.96Å; M560-F647 HydrophobicContact CE-CE1 3.47Å; M560-F647 VanDerWaalsContact CE-CE1 3.47Å; M560-F647 HydrophobicContact CE-CE2 4.37Å; M560-F647 HydrophobicContact CE-CZ 3.7Å
561Q75.3Confident76.8Confident89 Ų8964.9 Ų64.942%0.41632%0.322SS..Hα-helixtrans-57.3-39.1173.4-170.1-176.416.300112.6N557 M563 N565N557-Q561 WeakPolarHBondContact O-CB 3.49Å; N557-Q561 PolarHBondContact O-N 2.85Å; Q561-M563 VanDerWaalsContact C-N 3.29Å; Q561-M563 PolarHBondContact O-N 2.75Å; Q561-N565 WeakPolarHBondContact O-CB 3.26Å; Q561-N565 PolarHBondContact O-N 2.9Å; Q561-N565 PolarHBondContact O-OD1 2.67Å
562K79.4Confident76.9Confident143 Ų14364.9 Ų64.962%0.62232%0.323SS*.Hα-helixtrans-69.8-25.3176.2-71.3167.9-168.7163.50113K558 R559 M560 I566K558-K562 WeakPolarHBondContact O-CD 3.44Å; K558-K562 VanDerWaalsContact O-CE 3.31Å; K558-K562 WeakPolarHBondContact O-CE 3.49Å; K558-K562 VanDerWaalsContact O-CG 3.26Å; K558-K562 WeakPolarHBondContact O-CG 3.31Å; R559-K562 WeakPolarHBondContact O-CB 3.12Å; R559-K562 PolarHBondContact O-N 3.38Å; M560-K562 VanDerWaalsContact C-N 3.28Å; M560-K562 PolarHBondContact O-N 2.57Å; K562-I566 WeakPolarHBondContact O-CD1 3.47Å; K562-I566 WeakPolarHBondContact O-CG1 3.16Å
563M75Confident77.2Confident49 Ų4968.9 Ų68.924%0.24133%0.334CS..Hα-helixtrans-77.2-48.9173.9-174.1169.271.900111R559 M560 Q561 N565 I566 L567 V644R559-M563 PolarHBondContact O-N 3.49Å; R559-M563 VanDerWaalsContact O-N 3.14Å; M560-M563 WeakPolarHBondContact O-CA 3.5Å; M560-M563 WeakPolarHBondContact O-CB 3.32Å; M560-M563 PolarHBondContact O-N 2.98Å; Q561-M563 VanDerWaalsContact C-N 3.29Å; Q561-M563 PolarHBondContact O-N 2.75Å; M563-N565 VanDerWaalsContact C-N 3.33Å; M563-N565 PolarHBondContact O-N 2.93Å; M563-I566 PolarHBondContact O-N 2.72Å; M563-L567 HydrophobicContact CG-CD1 3.71Å; M563-L567 HydrophobicContact CG-CG 4.19Å; M563-L567 PolarHBondContact O-N 3.14Å; M563-L567 HydrophobicContact SD-CD1 4.39Å; M563-V644 HydrophobicContact CE-CG1 4.28Å
564L73.6Confident77.4Confident55 Ų5571.3 Ų71.329%0.28835%0.346SS..Hα-helixtrans-56.8-44.5176-68.1170.7000111.7M560 I566 L567 L568M560-L564 HydrophobicContact CG-CD1 4.33Å; M560-L564 PolarHBondContact O-N 3.42Å; L564-I566 PolarHBondContact O-N 3.27Å; L564-L567 PolarHBondContact O-N 2.95Å; L564-L568 WeakPolarHBondContact O-CB 3.47Å; L564-L568 PolarHBondContact O-N 3.45Å
565N76.6Confident77.7Confident111 Ų11169.9 Ų69.959%0.59434%0.335SS*.Hα-helixtrans-62-11.8175.4-71.57.4000114.6Q561 M563Q561-N565 WeakPolarHBondContact O-CB 3.26Å; Q561-N565 PolarHBondContact O-N 2.9Å; Q561-N565 PolarHBondContact O-OD1 2.67Å; M563-N565 VanDerWaalsContact C-N 3.33Å; M563-N565 PolarHBondContact O-N 2.93Å
566I79.3Confident77.9Confident48 Ų4867 Ų6725%0.24633%0.332CS..Hα-helixtrans-102.8-40.6174.5-66.2171.1000110.9K562 M563 L564 I900K562-I566 WeakPolarHBondContact O-CD1 3.47Å; K562-I566 WeakPolarHBondContact O-CG1 3.16Å; M563-I566 PolarHBondContact O-N 2.72Å; L564-I566 PolarHBondContact O-N 3.27Å; I566-I900 HydrophobicContact CG2-CG2 3.81Å
567L76.9Confident78.3Confident50 Ų5068 Ų6826%0.26235%0.347SS..Hα-helixtrans-77.8-45.8-175.9-64.9-179.5000112.8F458 M563 L564 A570 Y571 I900F458-L567 HydrophobicContact CZ-CD1 4.37Å; M563-L567 HydrophobicContact CG-CD1 3.71Å; M563-L567 HydrophobicContact CG-CG 4.19Å; M563-L567 PolarHBondContact O-N 3.14Å; M563-L567 HydrophobicContact SD-CD1 4.39Å; L564-L567 PolarHBondContact O-N 2.95Å; L567-A570 WeakPolarHBondContact O-CA 3.47Å; L567-A570 WeakPolarHBondContact O-CB 3.47Å; L567-A570 PolarHBondContact O-N 3.05Å; L567-Y571 PolarHBondContact O-N 3.36Å; L567-I900 HydrophobicContact CD2-CG2 4.19Å
568L79.4Confident78.5Confident66 Ų6670.4 Ų70.435%0.34636%0.359SS..Hα-helixtrans-60.4-44.1-174.8-175.669.5000112.8L564 A570 Y571 S572 L595 V599L564-L568 WeakPolarHBondContact O-CB 3.47Å; L564-L568 PolarHBondContact O-N 3.45Å; L568-A570 VanDerWaalsContact C-N 3.26Å; L568-A570 PolarHBondContact O-N 3.45Å; L568-Y571 PolarHBondContact O-N 3Å; L568-S572 WeakPolarHBondContact O-CB 3.39Å; L568-S572 PolarHBondContact O-N 3.14Å; L568-L595 HydrophobicContact CD1-CD2 3.92Å; L568-L595 HydrophobicContact CD1-CG 4.33Å; L568-V599 HydrophobicContact CD1-CG2 4.06Å; L568-V599 HydrophobicContact CD2-CG1 4.05Å; L568-V599 HydrophobicContact CD2-CG2 3.81Å
569P80.6Confident78.7Confident61 Ų6170.9 Ų70.940%0.39636%0.363SS..Hα-helixtrans-68.8-22.4174.1-19.634000113.6R573P569-R573 WeakPolarHBondContact O-CG 3.42Å; P569-R573 PolarHBondContact O-N 2.78Å; P569-R573 PolarHBondContact O-NH1 3.27Å
570A77.7Confident78.8Confident9 Ų970.2 Ų70.27%0.07438%0.382CS..Hα-helixtrans-77-44.3175.200000111.5L567 L568 R573 Q574 A904L567-A570 WeakPolarHBondContact O-CA 3.47Å; L567-A570 WeakPolarHBondContact O-CB 3.47Å; L567-A570 PolarHBondContact O-N 3.05Å; L568-A570 VanDerWaalsContact C-N 3.26Å; L568-A570 PolarHBondContact O-N 3.45Å; A570-R573 PolarHBondContact O-N 3.44Å; A570-Q574 WeakPolarHBondContact O-CG 3.32Å; A570-Q574 PolarHBondContact O-N 2.91Å; A570-Q574 VanDerWaalsContact O-N 3.1Å; A570-A904 HydrophobicContact CB-CB 4.08Å
571Y80.9Confident79.4Confident77 Ų7773.8 Ų73.830%0.30241%0.405SS..Hα-helixtrans-58.2-50.8172.5175.8-94.4000111.3L567 L568 R573 Q574 Y575 N592 L595L567-Y571 PolarHBondContact O-N 3.36Å; L568-Y571 PolarHBondContact O-N 3Å; Y571-R573 VanDerWaalsContact C-N 3.29Å; Y571-R573 PolarHBondContact O-N 2.81Å; Y571-Q574 WeakPolarHBondContact O-CA 3.26Å; Y571-Q574 WeakPolarHBondContact O-CB 3.34Å; Y571-Q574 PolarHBondContact O-N 2.9Å; Y571-Y575 PolarHBondContact O-N 3.45Å; Y571-N592 WeakPolarHBondContact CE1-OD1 3.1Å; Y571-L595 HydrophobicContact CD1-CD2 3.55Å; Y571-L595 HydrophobicContact CE1-CD2 3.42Å; Y571-L595 VanDerWaalsContact CE1-CD2 3.42Å; Y571-L595 HydrophobicContact CG-CD2 4.31Å
572S80.4Confident79.5Confident70 Ų7072.8 Ų72.849%0.4942%0.418SS..Hα-helixtrans-54.8-40177.9168.50000113.2L568 A576L568-S572 WeakPolarHBondContact O-CB 3.39Å; L568-S572 PolarHBondContact O-N 3.14Å; S572-A576 VanDerWaalsContact O-CB 3.26Å; S572-A576 WeakPolarHBondContact O-CB 3.47Å; S572-A576 PolarHBondContact O-N 3.38Å
573R82.1Confident79.5Confident136 Ų13671.9 Ų71.951%0.51342%0.42SS..Hα-helixtrans-69.3-34174.1-73.6-168.3-51.1-80-0.1113.5P569 A570 Y571 A577P569-R573 WeakPolarHBondContact O-CG 3.42Å; P569-R573 PolarHBondContact O-N 2.78Å; P569-R573 PolarHBondContact O-NH1 3.27Å; A570-R573 PolarHBondContact O-N 3.44Å; Y571-R573 VanDerWaalsContact C-N 3.29Å; Y571-R573 PolarHBondContact O-N 2.81Å; R573-A577 VanDerWaalsContact O-CB 3.26Å; R573-A577 WeakPolarHBondContact O-CB 3.46Å; R573-A577 PolarHBondContact O-N 2.9Å
574Q79.1Confident79.8Confident66 Ų6671 Ų7131%0.30842%0.417SS..Hα-helixtrans-72.3-45.6178.7-71.8167.8-0.600110.9A570 Y571 A577 L578 M907A570-Q574 WeakPolarHBondContact O-CG 3.32Å; A570-Q574 PolarHBondContact O-N 2.91Å; A570-Q574 VanDerWaalsContact O-N 3.1Å; Y571-Q574 WeakPolarHBondContact O-CA 3.26Å; Y571-Q574 WeakPolarHBondContact O-CB 3.34Å; Y571-Q574 PolarHBondContact O-N 2.9Å; Q574-A577 PolarHBondContact O-N 3.3Å; Q574-L578 WeakPolarHBondContact O-CG 3.23Å; Q574-L578 PolarHBondContact O-N 2.98Å; Q574-M907 VanDerWaalsContact NE2-CE 3.27Å; Q574-M907 PolarHBondContact NE2-SD 2.79Å; Q574-M907 VanDerWaalsContact NE2-SD 3.37Å
575Y80.9Confident80.2Confident38 Ų3871 Ų7115%0.14942%0.422CS..Hα-helixtrans-58.7-50.2173.3-178.1-96.9000111.4Y571 A577 L578 H579 V584 N592Y571-Y575 PolarHBondContact O-N 3.45Å; Y575-A577 VanDerWaalsContact C-N 3.29Å; Y575-A577 PolarHBondContact O-N 3.3Å; Y575-L578 PolarHBondContact O-N 3.17Å; Y575-H579 VanDerWaalsContact O-CB 3.32Å; Y575-H579 WeakPolarHBondContact O-CB 3.35Å; Y575-H579 PolarHBondContact O-N 3.28Å; Y575-V584 HydrophobicContact CE2-CG1 3.73Å; Y575-V584 HydrophobicContact CE2-CG2 4.48Å; Y575-N592 HydrophobicContact CD1-CB 4.41Å; Y575-N592 HydrophobicContact CD2-CB 3.86Å; Y575-N592 HydrophobicContact CE1-CB 4.12Å; Y575-N592 HydrophobicContact CE2-CB 3.52Å; Y575-N592 HydrophobicContact CG-CB 4.29Å
576A82.3Confident80.1Confident60 Ų6072.2 Ų72.250%0.49643%0.427SS..Hα-helixtrans-60.5-35.2176.900000113.3S572 G580S572-A576 VanDerWaalsContact O-CB 3.26Å; S572-A576 WeakPolarHBondContact O-CB 3.47Å; S572-A576 PolarHBondContact O-N 3.38Å; A576-G580 PolarHBondContact O-N 2.99Å
577A82.3Confident79.8Confident60 Ų6072.5 Ų72.550%0.49644%0.437SS..Hα-helixtrans-70.5-39.8175.500000112.7R573 Q574 Y575 V581R573-A577 VanDerWaalsContact O-CB 3.26Å; R573-A577 WeakPolarHBondContact O-CB 3.46Å; R573-A577 PolarHBondContact O-N 2.9Å; Q574-A577 PolarHBondContact O-N 3.3Å; Y575-A577 VanDerWaalsContact C-N 3.29Å; Y575-A577 PolarHBondContact O-N 3.3Å; A577-V581 WeakPolarHBondContact O-CG2 3.2Å; A577-V581 PolarHBondContact O-N 2.9Å
578L79.4Confident79.7Confident84 Ų8473.2 Ų73.244%0.4444%0.441SS..Hα-helixtrans-67.5-41.7174.8-70.6167.2000111.3Q574 Y575 V581 G582 L583 V584Q574-L578 WeakPolarHBondContact O-CG 3.23Å; Q574-L578 PolarHBondContact O-N 2.98Å; Y575-L578 PolarHBondContact O-N 3.17Å; L578-V581 CarbonylContact O-C 3.54Å; L578-V581 PolarHBondContact O-N 3.43Å; L578-V581 VanDerWaalsContact O-N 3.1Å; L578-G582 PolarHBondContact O-N 2.84Å; L578-L583 HydrophobicContact CD2-CB 4.33Å; L578-L583 PolarHBondContact O-N 2.94Å; L578-L583 VanDerWaalsContact O-N 3.11Å; L578-V584 VanDerWaalsContact C-CG2 3.49Å; L578-V584 HydrophobicContact CB-CG2 3.69Å
579H81.6Confident79.6Confident105 Ų10573 Ų7349%0.48644%0.438SS..Hα-helixtrans-64-41.9178.1-171.8-65.4000111.2Y575 V581 G582 V584Y575-H579 VanDerWaalsContact O-CB 3.32Å; Y575-H579 WeakPolarHBondContact O-CB 3.35Å; Y575-H579 PolarHBondContact O-N 3.28Å; H579-V581 PolarHBondContact O-N 3.29Å; H579-G582 PolarHBondContact O-N 3.34Å; H579-G582 VanDerWaalsContact O-N 3.15Å; H579-V584 VanDerWaalsContact CA-CG2 3.44Å; H579-V584 HydrophobicContact CB-CG2 3.87Å; H579-V584 VanDerWaalsContact N-CG2 3.25Å
580G79.4Confident79.3Confident69 Ų6976.2 Ų76.271%0.71145%0.449SS*.THydrogen-bonded Turntrans-65.4-12.217400000115A576A576-G580 PolarHBondContact O-N 2.99Å
581V84.9Confident79.1Confident104 Ų10479.2 Ų79.263%0.6346%0.462SS*.THydrogen-bonded Turntrans-109.7-2.1176.5-176.80000111.6A577 L578 H579 L583A577-V581 WeakPolarHBondContact O-CG2 3.2Å; A577-V581 PolarHBondContact O-N 2.9Å; L578-V581 CarbonylContact O-C 3.54Å; L578-V581 PolarHBondContact O-N 3.43Å; L578-V581 VanDerWaalsContact O-N 3.1Å; H579-V581 PolarHBondContact O-N 3.29Å; V581-L583 VanDerWaalsContact C-N 3.31Å; V581-L583 HydrophobicContact CB-CD1 4.39Å; V581-L583 HydrophobicContact CG1-CD1 3.66Å; V581-L583 HydrophobicContact CG1-CG 3.98Å; V581-L583 PolarHBondContact O-N 3.26Å
582G77.8Confident79Confident67 Ų6776.1 Ų76.169%0.69145%0.45SS*.THydrogen-bonded Turntrans69.424.2179.900000114.4L578 H579L578-G582 PolarHBondContact O-N 2.84Å; H579-G582 PolarHBondContact O-N 3.34Å; H579-G582 VanDerWaalsContact O-N 3.15Å
583L79.6Confident78.7Confident125 Ų12578.4 Ų78.465%0.65445%0.453SS*.  trans-103.116.1-177.7-69.3174000113.6L578 V581L578-L583 HydrophobicContact CD2-CB 4.33Å; L578-L583 PolarHBondContact O-N 2.94Å; L578-L583 VanDerWaalsContact O-N 3.11Å; V581-L583 VanDerWaalsContact C-N 3.31Å; V581-L583 HydrophobicContact CB-CD1 4.39Å; V581-L583 HydrophobicContact CG1-CD1 3.66Å; V581-L583 HydrophobicContact CG1-CG 3.98Å; V581-L583 PolarHBondContact O-N 3.26Å
584V80.1Confident78.2Confident29 Ų2976 Ų7618%0.17645%0.451CS..  trans-88.9130.6178.1-178.50000108.4Y575 L578 H579 D588 E589Y575-V584 HydrophobicContact CE2-CG1 3.73Å; Y575-V584 HydrophobicContact CE2-CG2 4.48Å; L578-V584 VanDerWaalsContact C-CG2 3.49Å; L578-V584 HydrophobicContact CB-CG2 3.69Å; H579-V584 VanDerWaalsContact CA-CG2 3.44Å; H579-V584 HydrophobicContact CB-CG2 3.87Å; H579-V584 VanDerWaalsContact N-CG2 3.25Å; V584-D588 HydrophobicContact CG1-CB 3.62Å; V584-E589 HydrophobicContact CG1-CG 3.54Å
585S81.9Confident77.9Confident57 Ų5774.7 Ų74.740%0.39945%0.446SS..  trans-87.9159.5171.9780000111A587 D588 E589S585-A587 PolarHBondContact O-N 3.05Å; S585-A587 PolarHBondContact OG-N 2.83Å; S585-D588 WeakPolarHBondContact CA-OD2 3.41Å; S585-D588 VanDerWaalsContact CB-OD2 3.23Å; S585-D588 WeakPolarHBondContact CB-OD2 3.01Å; S585-D588 PolarHBondContact N-OD2 3.44Å; S585-D588 WeakPolarHBondContact O-CB 3.45Å; S585-D588 PolarHBondContact O-N 2.68Å; S585-D588 PolarHBondContact OG-N 3.4Å; S585-D588 PolarHBondContact OG-OD2 3.4Å; S585-E589 PolarHBondContact O-N 3.33Å
586L75.1Confident77.4Confident136 Ų13677.6 Ų77.671%0.71246%0.461SS*.Hα-helixtrans-55.1-24173.5-66.9169.4000113M590L586-M590 VanDerWaalsContact O-CG 3.27Å; L586-M590 WeakPolarHBondContact O-CG 3.16Å; L586-M590 PolarHBondContact O-N 2.83Å
587A73.4Confident76.7Confident53 Ų5379.5 Ų79.544%0.43846%0.459SS..Hα-helixtrans-73.2-42.9173.100000111.9S585 E589 M590 E591S585-A587 PolarHBondContact O-N 3.05Å; S585-A587 PolarHBondContact OG-N 2.83Å; A587-E589 VanDerWaalsContact C-N 3.31Å; A587-E589 PolarHBondContact O-N 2.89Å; A587-M590 PolarHBondContact O-N 3.38Å; A587-E591 WeakPolarHBondContact O-CB 3.23Å; A587-E591 WeakPolarHBondContact O-CG 3.36Å; A587-E591 PolarHBondContact O-N 3.25Å
588D74.6Confident75.8Confident65 Ų6579.4 Ų79.435%0.34845%0.452SS..Hα-helixtrans-64.5-36.3176.3-56.4-76000111.5V584 S585 E591 N592V584-D588 HydrophobicContact CG1-CB 3.62Å; S585-D588 WeakPolarHBondContact CA-OD2 3.41Å; S585-D588 VanDerWaalsContact CB-OD2 3.23Å; S585-D588 WeakPolarHBondContact CB-OD2 3.01Å; S585-D588 PolarHBondContact N-OD2 3.44Å; S585-D588 WeakPolarHBondContact O-CB 3.45Å; S585-D588 PolarHBondContact O-N 2.68Å; S585-D588 PolarHBondContact OG-N 3.4Å; S585-D588 PolarHBondContact OG-OD2 3.4Å; D588-E591 PolarHBondContact O-N 2.77Å; D588-N592 WeakPolarHBondContact O-CB 3.47Å; D588-N592 PolarHBondContact O-N 2.63Å
589E77.4Confident75.1Confident63 Ų6379.2 Ų79.229%0.29445%0.454SS..Hα-helixtrans-64.1-47.4174.1-62.5-169151.100111.6V584 S585 A587 E591 N592 Q593V584-E589 HydrophobicContact CG1-CG 3.54Å; S585-E589 PolarHBondContact O-N 3.33Å; A587-E589 VanDerWaalsContact C-N 3.31Å; A587-E589 PolarHBondContact O-N 2.89Å; E589-E591 VanDerWaalsContact C-N 3.34Å; E589-E591 PolarHBondContact O-N 3.01Å; E589-N592 PolarHBondContact O-N 3Å; E589-Q593 VanDerWaalsContact O-CG 3.27Å; E589-Q593 WeakPolarHBondContact O-CG 3.44Å; E589-Q593 PolarHBondContact O-N 2.99Å
590M73.7Confident74Confident128 Ų12880.7 Ų80.763%0.63147%0.465SS*.Hα-helixtrans-62.2-40.5176-73.1-179.471.800112L586 A587 Q593 D594L586-M590 VanDerWaalsContact O-CG 3.27Å; L586-M590 WeakPolarHBondContact O-CG 3.16Å; L586-M590 PolarHBondContact O-N 2.83Å; A587-M590 PolarHBondContact O-N 3.38Å; M590-Q593 PolarHBondContact O-N 3Å; M590-D594 PolarHBondContact O-N 3.49Å
591E73.7Confident72.7Confident72 Ų7285.1 Ų85.134%0.33646%0.46SS..Hα-helixtrans-71.2-33.9179.2-73.3-178.2178.800112.7A587 D588 E589 L595 L637A587-E591 WeakPolarHBondContact O-CB 3.23Å; A587-E591 WeakPolarHBondContact O-CG 3.36Å; A587-E591 PolarHBondContact O-N 3.25Å; D588-E591 PolarHBondContact O-N 2.77Å; E589-E591 VanDerWaalsContact C-N 3.34Å; E589-E591 PolarHBondContact O-N 3.01Å; E591-L595 WeakPolarHBondContact O-CB 3.21Å; E591-L595 PolarHBondContact O-N 3.33Å; E591-L637 WeakPolarHBondContact OE2-CD1 3.42Å
592N78.8Confident70.6Confident11 Ų1188.7 Ų88.76%0.05947%0.47CS..Hα-helixtrans-67.8-40.3170-177.280.4000111.5Y571 Y575 D588 E589 L595 E596Y571-N592 WeakPolarHBondContact CE1-OD1 3.1Å; Y575-N592 HydrophobicContact CD1-CB 4.41Å; Y575-N592 HydrophobicContact CD2-CB 3.86Å; Y575-N592 HydrophobicContact CE1-CB 4.12Å; Y575-N592 HydrophobicContact CE2-CB 3.52Å; Y575-N592 HydrophobicContact CG-CB 4.29Å; D588-N592 WeakPolarHBondContact O-CB 3.47Å; D588-N592 PolarHBondContact O-N 2.63Å; E589-N592 PolarHBondContact O-N 3Å; N592-L595 PolarHBondContact O-N 3.34Å; N592-E596 VanDerWaalsContact ND2-CD 3.3Å; N592-E596 PolarHBondContact ND2-OE1 3.27Å; N592-E596 WeakPolarHBondContact O-CB 3.22Å; N592-E596 WeakPolarHBondContact O-CG 3.27Å; N592-E596 PolarHBondContact O-N 3.26Å
593Q75Confident68.9Low118 Ų11896.1 Ų96.155%0.55148%0.477SS*.Hα-helixtrans-63.4-42.7174.9-72.3170.924.900112.4E589 M590 L595 E596 H597E589-Q593 VanDerWaalsContact O-CG 3.27Å; E589-Q593 WeakPolarHBondContact O-CG 3.44Å; E589-Q593 PolarHBondContact O-N 2.99Å; M590-Q593 PolarHBondContact O-N 3Å; Q593-L595 VanDerWaalsContact C-N 3.35Å; Q593-E596 PolarHBondContact O-N 3.24Å; Q593-H597 VanDerWaalsContact O-CB 3.32Å; Q593-H597 WeakPolarHBondContact O-CB 3.23Å; Q593-H597 PolarHBondContact O-N 3.42Å
594D70.9Confident67Low87 Ų8793.1 Ų93.147%0.46548%0.477SS..Hα-helixtrans-61.2-43173.1-96.3-11.9000111.1M590 H597 V598M590-D594 PolarHBondContact O-N 3.49Å; D594-H597 PolarHBondContact O-N 2.99Å; D594-V598 WeakPolarHBondContact O-CB 3.43Å; D594-V598 VanDerWaalsContact O-CG2 3.29Å; D594-V598 WeakPolarHBondContact O-CG2 2.97Å; D594-V598 PolarHBondContact O-N 3.41Å
595L73.3Confident64.9Low38 Ų3897.1 Ų97.120%0.19950%0.501CS..Hα-helixtrans-67.6-41.4178.1-171.968000112.4L568 Y571 E591 N592 Q593 V598 V599L568-L595 HydrophobicContact CD1-CD2 3.92Å; L568-L595 HydrophobicContact CD1-CG 4.33Å; Y571-L595 HydrophobicContact CD1-CD2 3.55Å; Y571-L595 HydrophobicContact CE1-CD2 3.42Å; Y571-L595 VanDerWaalsContact CE1-CD2 3.42Å; Y571-L595 HydrophobicContact CG-CD2 4.31Å; E591-L595 WeakPolarHBondContact O-CB 3.21Å; E591-L595 PolarHBondContact O-N 3.33Å; N592-L595 PolarHBondContact O-N 3.34Å; Q593-L595 VanDerWaalsContact C-N 3.35Å; L595-V598 PolarHBondContact O-N 3.1Å; L595-V599 WeakPolarHBondContact O-CB 3.41Å; L595-V599 VanDerWaalsContact O-CG2 3.31Å; L595-V599 WeakPolarHBondContact O-CG2 3.41Å; L595-V599 PolarHBondContact O-N 3.38Å
596E69.9Low62.6Low99 Ų9999.8 Ų99.846%0.46352%0.515SS..Hα-helixtrans-61.8-46.2173.9-78.4178.5-171.800110.8N592 Q593 V598 V599 L600N592-E596 VanDerWaalsContact ND2-CD 3.3Å; N592-E596 PolarHBondContact ND2-OE1 3.27Å; N592-E596 WeakPolarHBondContact O-CB 3.22Å; N592-E596 WeakPolarHBondContact O-CG 3.27Å; N592-E596 PolarHBondContact O-N 3.26Å; Q593-E596 PolarHBondContact O-N 3.24Å; E596-V598 VanDerWaalsContact C-N 3.3Å; E596-V598 PolarHBondContact O-N 2.95Å; E596-V599 PolarHBondContact O-N 3.37Å; E596-V599 VanDerWaalsContact O-N 3.14Å; E596-L600 HydrophobicContact CB-CD1 4.43Å; E596-L600 VanDerWaalsContact O-CB 3.22Å; E596-L600 WeakPolarHBondContact O-CB 3.29Å; E596-L600 WeakPolarHBondContact O-CG 3.48Å; E596-L600 PolarHBondContact O-N 3.14Å
597H67.1Low60.6Low100 Ų100101.9 Ų101.946%0.46351%0.513SS..Hα-helixtrans-61.1-36.8174.3175.2-143.5000112.5Q593 D594 R601Q593-H597 VanDerWaalsContact O-CB 3.32Å; Q593-H597 WeakPolarHBondContact O-CB 3.23Å; Q593-H597 PolarHBondContact O-N 3.42Å; D594-H597 PolarHBondContact O-N 2.99Å; H597-R601 PolarHBondContact NE2-NE 2.88Å; H597-R601 WeakPolarHBondContact O-CB 3.39Å; H597-R601 VanDerWaalsContact O-CG 3.27Å; H597-R601 WeakPolarHBondContact O-CG 3.44Å; H597-R601 PolarHBondContact O-N 2.95Å
598V63.9Low58.7Low58 Ų58104.4 Ų104.435%0.35253%0.534SS..Hα-helixtrans-67.5-36173.31620000112.7D594 L595 E596 L645D594-V598 WeakPolarHBondContact O-CB 3.43Å; D594-V598 VanDerWaalsContact O-CG2 3.29Å; D594-V598 WeakPolarHBondContact O-CG2 2.97Å; D594-V598 PolarHBondContact O-N 3.41Å; L595-V598 PolarHBondContact O-N 3.1Å; E596-V598 VanDerWaalsContact C-N 3.3Å; E596-V598 PolarHBondContact O-N 2.95Å; V598-L645 HydrophobicContact CG1-CD1 3.78Å; V598-L645 HydrophobicContact CG1-CD2 4.22Å
599V64.9Low56.9Low79 Ų79107.7 Ų107.748%0.47955%0.551SS.*Hα-helixtrans-79.3-35179.1168.50000112.3L568 L595 E596L568-V599 HydrophobicContact CD1-CG2 4.06Å; L568-V599 HydrophobicContact CD2-CG1 4.05Å; L568-V599 HydrophobicContact CD2-CG2 3.81Å; L595-V599 WeakPolarHBondContact O-CB 3.41Å; L595-V599 VanDerWaalsContact O-CG2 3.31Å; L595-V599 WeakPolarHBondContact O-CG2 3.41Å; L595-V599 PolarHBondContact O-N 3.38Å; E596-V599 PolarHBondContact O-N 3.37Å; E596-V599 VanDerWaalsContact O-N 3.14Å
600L58.9Low55Low137 Ų137110.2 Ų110.272%0.71756%0.563SS**Hα-helixtrans-84.3-12.3179.2-66.5170.3000113.2E596 E602E596-L600 HydrophobicContact CB-CD1 4.43Å; E596-L600 VanDerWaalsContact O-CB 3.22Å; E596-L600 WeakPolarHBondContact O-CB 3.29Å; E596-L600 WeakPolarHBondContact O-CG 3.48Å; E596-L600 PolarHBondContact O-N 3.14Å; L600-E602 PolarHBondContact O-N 2.99Å
601R52.6Low53.1Low161 Ų161112.3 Ų112.361%0.60857%0.571SS**SBendtrans-57.5121.1170.2-98.1174-179.8-149.7-1.4110.4H597 R603H597-R601 PolarHBondContact NE2-NE 2.88Å; H597-R601 WeakPolarHBondContact O-CB 3.39Å; H597-R601 VanDerWaalsContact O-CG 3.27Å; H597-R601 WeakPolarHBondContact O-CG 3.44Å; H597-R601 PolarHBondContact O-N 2.95Å; R601-R603 PolarHBondContact O-N 2.89Å
602E40.1Very low51.3Low180 Ų180112.2 Ų112.284%0.84159%0.59SS**  trans-53.5139.5171-60.9-174.1129.700110.5L600 G604L600-E602 PolarHBondContact O-N 2.99Å; E602-G604 PolarHBondContact O-N 3.28Å
603R41.3Very low48.9Very low223 Ų223114.3 Ų114.384%0.84260%0.603SS**  trans-7671.4-177.4-67.1-174.7178.1-159.8-2.5111.8R601 V605R601-R603 PolarHBondContact O-N 2.89Å; R603-V605 PolarHBondContact O-N 2.74Å
604G41.1Very low47Very low62 Ų62112.4 Ų112.464%0.63962%0.616SS**  trans-61.4130.3169.900000111.3E602 V606E602-G604 PolarHBondContact O-N 3.28Å; G604-V606 PolarHBondContact O-N 3.02Å
605V35.7Very low45Very low113 Ų113116.9 Ų116.969%0.68563%0.634SS**  trans-78.1103167.8177.90000107.8R603R603-V605 PolarHBondContact O-N 2.74Å
606V32.8Very low42.9Very low113 Ų113124.3 Ų124.369%0.68567%0.667SS**  trans-74.4125.9170.4-177.40000108.2G604 Q610G604-V606 PolarHBondContact O-N 3.02Å; V606-Q610 HydrophobicContact CG1-CB 4.34Å
607W33.2Very low41Very low179 Ų179125.7 Ų125.768%0.67868%0.682SS**  trans-87.5146.6173.4-60.281.5000109.4D609 Q610W607-D609 WeakPolarHBondContact CB-OD1 3.36Å; W607-D609 PolarHBondContact O-N 2.76Å; W607-Q610 PolarHBondContact O-N 3.42Å
608A33.3Very low39Very low106 Ų106130.1 Ų130.188%0.87670%0.7SS**THydrogen-bonded Turntrans-65.1-6.1-168.500000115
609D36.4Very low37.3Very low134 Ų134133.7 Ų133.772%0.71772%0.722SS**THydrogen-bonded Turntrans-92.75.1179.252.9-61000114.5W607W607-D609 WeakPolarHBondContact CB-OD1 3.36Å; W607-D609 PolarHBondContact O-N 2.76Å
610Q37.9Very low35.5Very low117 Ų117138.7 Ų138.755%0.54774%0.741SS.*  trans-98.1-1.7-177.9-65.8-171.4-14.500115.9V606 W607 G612V606-Q610 HydrophobicContact CG1-CB 4.34Å; W607-Q610 PolarHBondContact O-N 3.42Å; Q610-G612 PolarHBondContact O-N 3.31Å
611E34Very low34.1Very low171 Ų171141.4 Ų141.480%0.79975%0.75SS**THydrogen-bonded Turntrans-7690.5173-69.8-167.4-172.900111.8
612G35Very low33Very low71 Ų71141.7 Ų141.773%0.73276%0.762SS**THydrogen-bonded Turntrans177.42.7172.700000118.7Q610Q610-G612 PolarHBondContact O-N 3.31Å
613T30.3Very low32.4Very low54 Ų54136.7 Ų136.733%0.33176%0.758SS.*  trans-13467.3-166.370.10000113.2Q615 F668 Y669T613-Q615 PolarHBondContact O-N 3.18Å; T613-F668 HydrophobicContact CG2-CE1 4.14Å; T613-Y669 HydrophobicContact CG2-CD1 4.4Å; T613-Y669 HydrophobicContact CG2-CE1 3.42Å; T613-Y669 VanDerWaalsContact CG2-CE1 3.42Å
614G33.2Very low31.8Very low79 Ų79133.8 Ų133.881%0.81476%0.759SS**  trans-64.6116.7170.100000111Q616G614-Q616 PolarHBondContact O-N 3.45Å
615Q30.2Very low31.1Very low180 Ų180137.9 Ų137.984%0.84177%0.766SS**  trans-74.7114.9175.7-76.5173.3-84.900110.3T613 V617T613-Q615 PolarHBondContact O-N 3.18Å; Q615-V617 PolarHBondContact O-N 3.07Å
616Q28.3Very low30.8Very low194 Ų194136.8 Ų136.891%0.90776%0.764SS**  trans-67.8111159.2-72-179.8-20.200108.3G614G614-Q616 PolarHBondContact O-N 3.45Å
617V30.1Very low30.6Very low128 Ų128139.4 Ų139.478%0.77677%0.773SS**PPolyproline II helixtrans-80.6129.8163.3178.20000107.2Q615Q615-V617 PolarHBondContact O-N 3.07Å
618K26Very low30.4Very low193 Ų193138.9 Ų138.984%0.83978%0.778SS**PPolyproline II helixtrans-73.9127.9169.7-70-178.9172.3-1710108.9
619T27.8Very low30Very low133 Ų133140.3 Ų140.382%0.81678%0.776SS**PPolyproline II helixtrans-98.5133.9158.6-50.70000107.1
620E27.3Very low29.4Very low185 Ų185140.2 Ų140.286%0.86478%0.784SS**PPolyproline II helixtrans-82.7150.5174.9-65.1-177.614400110.4
621E29.8Very low29.1Very low194 Ų194138.7 Ų138.791%0.90780%0.8SS**PPolyproline II helixtrans-81.6124-171.3-60.8172.9145.900111.6
622I28.8Very low28.8Very low167 Ų167135 Ų13586%0.85680%0.799SS**  trans-139126.3159.6-62-176.3000109.4
623G27.9Very low28.7Very low74 Ų74143.4 Ų143.476%0.76381%0.808SS**  trans55.59214500000118.1
624D28.8Very low28.8Very low162 Ų162150.8 Ų150.887%0.86684%0.836SS**  trans-70.1133.3157.8-174.320.5000110.2
625D26.4Very low28.6Very low148 Ų148153.4 Ų153.479%0.79184%0.836SS**  trans-152.5151146.7-145.1-24.3000112
626S29.4Very low28.8Very low90 Ų90154.7 Ų154.763%0.62983%0.833SS**  trans-76.3143.7-161550000116.2
627L27.8Very low29.2Very low168 Ų168149 Ų14988%0.8881%0.808SS**  -178.8156.692.2-153.765.2000112.3
628E28.5Very low29.4Very low169 Ų169149.2 Ų149.279%0.7980%0.801SS**  trans-83.8153.4-179.1-54.2-177.7116.200114.2
629T26Very low30Very low136 Ų136144.2 Ų144.283%0.83479%0.79SS**  178.3165115.528.10000114.2
630C24.3Very low30.6Very low131 Ų131142.5 Ų142.589%0.88577%0.773SS**  trans59.286163.9-71.70000118.7
631G32Very low31.2Very low86 Ų86137.9 Ų137.989%0.88775%0.754SS**  trans-82.4133.7168.500000114.5
632A27.6Very low31.6Very low93 Ų93130.9 Ų130.977%0.76973%0.729SS**  trans-148.3135.7161.300000111.2K634A632-K634 PolarHBondContact O-N 3.06Å
633R31.7Very low32.1Very low247 Ų247126 Ų12693%0.93271%0.708SS**  trans32.880.6165.2-70.8-179168160.8-3.8117.8
634K32.4Very low32.7Very low209 Ų209123.6 Ų123.691%0.90968%0.679SS**  trans-108.280.2153.2-96.7-176.7173.6175.80110.9A632A632-K634 PolarHBondContact O-N 3.06Å
635V29.4Very low33.1Very low135 Ų135119.1 Ų119.182%0.81865%0.654SS**  trans-128.779.1174.2-173.50000110.8
636R34.2Very low33.7Very low206 Ų206114.6 Ų114.678%0.77763%0.634SS**  trans9.8108.8151.3-67.3176.2167.9171.8-4.2118.5H638 S639R636-H638 HydrophobicContact CB-CB 4.23Å; R636-H638 PolarHBondContact O-N 3.34Å; R636-S639 PolarHBondContact O-N 3.46Å; R636-S639 VanDerWaalsContact O-N 3.13Å
637L37.3Very low34.5Very low74 Ų74114.9 Ų114.939%0.38762%0.624SS.*G310 helixtrans-61-19.8157.8-99.5162.6000113.6E591 S639 E640E591-L637 WeakPolarHBondContact OE2-CD1 3.42Å; L637-S639 PolarHBondContact O-N 3.41Å; L637-E640 HydrophobicContact CD2-CB 4.28Å; L637-E640 HydrophobicContact CD2-CG 4.33Å; L637-E640 PolarHBondContact O-N 2.67Å
638H34.3Very low35.3Very low134 Ų134111 Ų11162%0.6261%0.611SS**G310 helixtrans-56.3-13.6169.5-160-49.3000113.4R636 A642R636-H638 HydrophobicContact CB-CB 4.23Å; R636-H638 PolarHBondContact O-N 3.34Å; H638-A642 WeakPolarHBondContact O-CB 3.33Å
639S38.2Very low36.1Very low87 Ų87106 Ų10661%0.60859%0.587SS**G310 helixtrans-82.7-25.4171-166.40000114.4R636 L637R636-S639 PolarHBondContact O-N 3.46Å; R636-S639 VanDerWaalsContact O-N 3.13Å; L637-S639 PolarHBondContact O-N 3.41Å
640E40.4Very low36.7Very low97 Ų97103.8 Ų103.845%0.45357%0.57SS.*THydrogen-bonded Turntrans-93.7-32.9-169.8-55.9-162.3157.300112.6H457 L637H457-E640 IonicContact CE1-OE1 3.46Å; H457-E640 PolarHBondContact CE1-OE1 2.63Å; H457-E640 IonicContact CE1-OE2 2.67Å; H457-E640 PolarHBondContact CE1-OE2 2.96Å; H457-E640 VanDerWaalsContact CE1-OE2 3.3Å; H457-E640 IonicContact ND1-OE1 3.95Å; H457-E640 IonicContact ND1-OE2 2.63Å; H457-E640 PolarHBondContact ND1-OE2 3.46Å; L637-E640 HydrophobicContact CD2-CB 4.28Å; L637-E640 HydrophobicContact CD2-CG 4.33Å; L637-E640 PolarHBondContact O-N 2.67Å
641L39.4Very low37.3Very low89 Ų89104 Ų10447%0.46656%0.558SS.*SBendtrans-88.9-22.7179.7-67.2174.5000113.9V644 L645L641-V644 WeakPolarHBondContact O-CB 3.38Å; L641-V644 PolarHBondContact O-N 3.4Å; L641-L645 HydrophobicContact CB-CD1 4.33Å; L641-L645 PolarHBondContact O-N 2.93Å; L641-L645 WeakPolarHBondContact O-CG 3.5Å
642A38Very low37.4Very low46 Ų46107.9 Ų107.938%0.3855%0.547SS..SBendtrans-57.3-39.7-177.100000114.8H638 V644 L645 S646H638-A642 WeakPolarHBondContact O-CB 3.33Å; A642-V644 PolarHBondContact O-N 3.33Å; A642-V644 VanDerWaalsContact C-N 3.3Å; A642-L645 PolarHBondContact O-N 3.49Å; A642-S646 PolarHBondContact O-N 2.9Å
643P39.5Very low37.6Very low64 Ų64110.3 Ų110.342%0.41654%0.542SS..G310 helixtrans-62.1-36.3174.4-23.235000113L645 S646P643-L645 PolarHBondContact O-N 2.88Å; P643-S646 PolarHBondContact O-N 3.48Å
644V41.3Very low37.5Very low25 Ų25106.4 Ų106.415%0.15253%0.534CS..G310 helixtrans-74.2-5.6-179-165.10000112.3M560 M563 L641 A642M560-V644 VanDerWaalsContact CE-O 3.31Å; M560-V644 WeakPolarHBondContact CE-O 3.36Å; M560-V644 HydrophobicContact CG-CG1 4.4Å; M560-V644 HydrophobicContact SD-CG1 3.86Å; M563-V644 HydrophobicContact CE-CG1 4.28Å; L641-V644 WeakPolarHBondContact O-CB 3.38Å; L641-V644 PolarHBondContact O-N 3.4Å; A642-V644 PolarHBondContact O-N 3.33Å; A642-V644 VanDerWaalsContact C-N 3.3Å
645L37.2Very low37.4Very low68 Ų68101.4 Ų101.436%0.35653%0.526SS..G310 helixtrans-118.4-4.2-177.4-64.4168.1000113V598 L641 A642 P643 F647V598-L645 HydrophobicContact CG1-CD1 3.78Å; V598-L645 HydrophobicContact CG1-CD2 4.22Å; L641-L645 HydrophobicContact CB-CD1 4.33Å; L641-L645 PolarHBondContact O-N 2.93Å; L641-L645 WeakPolarHBondContact O-CG 3.5Å; A642-L645 PolarHBondContact O-N 3.49Å; P643-L645 PolarHBondContact O-N 2.88Å; L645-F647 VanDerWaalsContact O-CD2 3.29Å; L645-F647 WeakPolarHBondContact O-CD2 3.5Å
646S39.1Very low37.5Very low53 Ų5397 Ų9737%0.37150%0.501SS..  trans-88.2133.7170.7-171.40000110.3A642 P643A642-S646 PolarHBondContact O-N 2.9Å; P643-S646 PolarHBondContact O-N 3.48Å
647F46.8Very low37.6Very low95 Ų9593 Ų9342%0.41750%0.502SS..  trans-116.39.7-171.8-76.2-85.7000114.1M560 L645M560-F647 HydrophobicContact CE-CD1 3.96Å; M560-F647 HydrophobicContact CE-CE1 3.47Å; M560-F647 VanDerWaalsContact CE-CE1 3.47Å; M560-F647 HydrophobicContact CE-CE2 4.37Å; M560-F647 HydrophobicContact CE-CZ 3.7Å; L645-F647 VanDerWaalsContact O-CD2 3.29Å; L645-F647 WeakPolarHBondContact O-CD2 3.5Å
648S43.4Very low37.3Very low87 Ų8794.6 Ų94.661%0.60852%0.518SS*.  trans-138.787.7-168.349.90000113
649H46.7Very low37.2Very low63 Ų6392.6 Ų92.629%0.29252%0.519SS..  trans-96.6-3.4176.1-47-65000114.1L443 Y447 E450 H651L443-H649 HydrophobicContact CD1-CB 4.49Å; Y447-H649 AromaticContact CE1-CD2 3.98Å; E450-H649 IonicContact OE1-CE1 3.22Å; H649-H651 PolarHBondContact O-N 3.23Å
650L37.8Very low36.7Very low90 Ų9092.9 Ų92.947%0.47153%0.527SS..  trans-80.579.4-176.2-70.8174.3000112.7
651H36.5Very low36.1Very low136 Ų13697.5 Ų97.563%0.6355%0.548SS*.  trans-78.7119.6167.9-83.172.9000111.4H649H649-H651 PolarHBondContact O-N 3.23Å
652Y34.8Very low35.5Very low168 Ų168104.2 Ų104.266%0.65957%0.567SS**  trans-89.6111.4-178.9-171.1-86.8000111.6Q654Y652-Q654 HydrophobicContact CD1-CG 4.39Å
653H30.9Very low34.9Very low143 Ų143110.9 Ų110.966%0.66260%0.596SS**  trans-76.1122.8171.1-85.6-99000110.8S655H653-S655 PolarHBondContact O-N 3.13Å
654Q30.1Very low34.2Very low165 Ų165112.7 Ų112.777%0.77161%0.61SS**  trans-74.623.3-179.5-64.1-174.6-1300114.5Y652 S656Y652-Q654 HydrophobicContact CD1-CG 4.39Å; Q654-S656 VanDerWaalsContact C-N 3.29Å; Q654-S656 PolarHBondContact O-N 2.98Å
655S30.7Very low33.4Very low105 Ų105121.3 Ų121.373%0.73465%0.645SS**  trans-83.565.7-176.556.10000112.5H653H653-S655 PolarHBondContact O-N 3.13Å
656S32Very low32.8Very low43 Ų43128.8 Ų128.830%0.30167%0.669SS.*  trans-107122.7161.4175.90000109.2Q654 C658 S659Q654-S656 VanDerWaalsContact C-N 3.29Å; Q654-S656 PolarHBondContact O-N 2.98Å; S656-C658 PolarHBondContact O-N 3.04Å; S656-S659 PolarHBondContact O-N 3.46Å; S656-S659 VanDerWaalsContact O-N 3.08Å
657P34.5Very low32Very low122 Ų122130.2 Ų130.279%0.79268%0.684SS**THydrogen-bonded Turntrans-67.4-7-175.827.3-34.5000114.1
658C31.9Very low30.9Very low106 Ų106132 Ų13272%0.71669%0.692SS**THydrogen-bonded Turntrans-94.26.9173.9-60.30000114.1S656S656-C658 PolarHBondContact O-N 3.04Å
659S32Very low30Very low92 Ų92135.8 Ų135.864%0.64369%0.694SS**  trans-108.452.8-174.9-59.20000112.9S656S656-S659 PolarHBondContact O-N 3.46Å; S656-S659 VanDerWaalsContact O-N 3.08Å
660A28Very low28.8Very low93 Ų93137.1 Ų137.177%0.76971%0.709SS**  trans-113.751.9-17100000114.2
661E26.6Very low28.2Very low195 Ų195138.4 Ų138.491%0.91173%0.726SS**  trans-144.4124.5159.5-134.6166.7-139.100111.5
662R27.2Very low27.5Very low229 Ų229136.4 Ų136.486%0.86473%0.733SS**  trans-112.4113.9-176.5-77.8179.6170.9176.4-2.4110.2
663L26.3Very low27Very low186 Ų186133 Ų13397%0.97474%0.739SS**  trans-111.5116.8152.6-74.6176.8000109
664S24.1Very low27Very low102 Ų102131.1 Ų131.171%0.71374%0.74SS**  trans-127.8140.5-179.966.40000110.8
665K25.3Very low26.7Very low207 Ų207128.4 Ų128.490%0.974%0.735SS**  trans-169.9118.2144.5-102.1148.3-171.71780110.8
666R24.8Very low26.4Very low224 Ų224130.4 Ų130.485%0.84574%0.736SS**  trans-1.7149.5152.1-64.5171.9165167.9-6.4116.9
667A22.5Very low26.1Very low84 Ų84136.1 Ų136.169%0.69476%0.756SS**  cis-168.3129.448.100000116.2
668F23.7Very low25.6Very low133 Ų133136.7 Ų136.758%0.58375%0.752SS**  59.9141.5125-79.4-67.9000125.4T613T613-F668 HydrophobicContact CG2-CE1 4.14Å
669Y23.8Very low25.3Very low166 Ų166135.2 Ų135.265%0.65175%0.754SS**  trans66.9150.1144.5-68-48.2000120.2T613T613-Y669 HydrophobicContact CG2-CD1 4.4Å; T613-Y669 HydrophobicContact CG2-CE1 3.42Å; T613-Y669 VanDerWaalsContact CG2-CE1 3.42Å
670C22.2Very low24.9Very low90 Ų90134.2 Ų134.261%0.60876%0.759SS**  cis-173.9155.3-27.4-154.60000108.8
671S23.7Very low24.8Very low118 Ų118137.8 Ų137.883%0.82577%0.765SS**  trans-178.8137.6148.955.20000112
672A22.2Very low24.8Very low94 Ų94135.7 Ų135.778%0.77776%0.759SS**  trans-136.9126.7168.500000111.5
673A24.3Very low25.2Very low95 Ų95130.5 Ų130.579%0.78576%0.755SS**  trans59.6-173.1158.800000116.2
674P31.7Very low25.2Very low104 Ų104127.2 Ų127.268%0.67574%0.738SS**  cis-134.5-162.2-11.2242000114.3
675T24.1Very low25.4Very low108 Ų108130 Ų13066%0.66374%0.738SS**  trans91.7112.2145.756.60000123.4
676L24.1Very low25.5Very low148 Ų148127.3 Ų127.378%0.77574%0.739SS**  70.2163.7121.9-60.5172.7000118
677K25.4Very low25.5Very low163 Ų163119.9 Ų119.971%0.70973%0.732SS**  cis-157.3-178.122.5-152.7157.3-176.2-161.30114.2
678D24.5Very low25.7Very low134 Ų134124 Ų12472%0.71774%0.742SS**  trans-20161157.9-51.5-34.4000117.5
679G24.7Very low25.9Very low74 Ų74126.8 Ų126.876%0.76375%0.754SS**  cis119.1148.112.800000111.3
680G24.5Very low26.6Very low71 Ų71124.7 Ų124.773%0.73276%0.761SS**  trans89.9143.3-167.600000112.6
681D25.1Very low27.5Very low169 Ų169125.1 Ų125.190%0.90476%0.763SS**  cis-141.6162.53.4-86.7-40000114.1
682L26.8Very low27.6Very low151 Ų151129.3 Ų129.379%0.79177%0.766SS**  trans-85.7172.1171-88.6158.9000110.3
683P36.4Very low27.7Very low119 Ų119131 Ų13177%0.77377%0.766SS**  cis-144.6134.429.137.6-15000120
684D26.6Very low27.6Very low117 Ų117131.2 Ų131.263%0.62676%0.762SS**  67.2151.2112.1-151.315.6000124.5
685K27.8Very low27.3Very low160 Ų160132.7 Ų132.770%0.69676%0.763SS**  trans64.8102165.1-54.9-157.6172.961.60122.2
686T26.1Very low27.3Very low151 Ų151136.1 Ų136.193%0.92676%0.764SS**  165.7149.9105.137.10000109.7
687G26.3Very low27.5Very low68 Ų68138.2 Ų138.270%0.70176%0.761SS**  cis-170.9149.5-10.200000111.1
688D26.1Very low27.5Very low170 Ų170137.7 Ų137.791%0.90977%0.766SS**  trans52.3143.4162.4-64.1-22.3000125.8
689K28.2Very low27.5Very low193 Ų193139.7 Ų139.784%0.83978%0.776SS**  trans-120.9171.9162-82.8177.4-179.6169.50105.1
690P37.4Very low27.5Very low122 Ų122140.3 Ų140.379%0.79277%0.769SS**  cis-151.5-129.248.133-2.4000115.7
691P42Very low27.4Very low98 Ų98142.2 Ų142.264%0.63677%0.766SS**  -131.3177.2-100.541.7-25000115.7
692K25.4Very low27.3Very low206 Ų206143.6 Ų143.690%0.89677%0.765SS**  -171.2153.7121-102.4157.1-172.6174.10116.1
693V23.6Very low27.2Very low129 Ų129143.8 Ų143.878%0.78277%0.766SS**  trans-85.3168-163.8-166.70000113.1
694S23.3Very low27.2Very low100 Ų100143.4 Ų143.470%0.69976%0.763SS**  trans98.8153.8140.396.40000118
695I25.1Very low27.7Very low136 Ų136142.7 Ų142.770%0.69777%0.765SS**  cis-163.3145.3-14.1-122.5174.9000113.8
696R25.1Very low27.6Very low179 Ų179143.6 Ų143.668%0.67577%0.772SS**  trans58.3125.2151.9-69.8175.7-179.1176.62.2125.1
697R26.3Very low27.5Very low193 Ų193141.1 Ų141.173%0.72876%0.76SS**  84.7116.9121.8-70.4173-175.7165.7-2123.5
698N26.1Very low27.9Very low152 Ų152143.1 Ų143.181%0.81376%0.761SS**  trans5.8137.9134.5-44.13.1000120.9
699L25Very low27.9Very low175 Ų175143.8 Ų143.892%0.91676%0.759SS**  -161.3-170.9113.6-108165.1000111.5
700S23.4Very low27.7Very low88 Ų88140.5 Ų140.562%0.61576%0.76SS**  trans-134.7173.3-158.262.60000116.1
701T23.5Very low27.1Very low110 Ų110140.4 Ų140.468%0.67576%0.757SS**  trans66.6127.2156.739.80000119.2
702F23.8Very low26.3Very low198 Ų198142.6 Ų142.687%0.86877%0.768SS**  -178164.9105.5-96.8-69.9000113.3
703L23.9Very low26.3Very low156 Ų156142.1 Ų142.182%0.81777%0.766SS**  trans-158.8177176.7-89.3176.4000106.4
704P35.6Very low26.4Very low111 Ų111141.7 Ų141.772%0.72177%0.769SS**  cis-114-119.7-9.330.7-7.4000108.2
705P37.8Very low26.5Very low102 Ų102146.4 Ų146.466%0.66278%0.78SS**  cis-128.4174.3-41.235.7-18.3000115
706Q25.4Very low26.5Very low178 Ų178144.4 Ų144.483%0.83278%0.783SS**  175.9172.7124.7-89.7-69.7-1.500111
707S23.8Very low26.5Very low99 Ų99145.1 Ų145.169%0.69279%0.792SS**  trans-139.5-167.2-160.570.70000111.4
708P35.5Very low26.5Very low110 Ų110145.2 Ų145.271%0.71480%0.801SS**  cis-142.9162.413.242.4-21.9000120.4
709Q26.4Very low26.5Very low184 Ų184144.4 Ų144.486%0.8680%0.796SS**  trans27.1133.7142.6-58.2-177.2-1.200124.2
710S22.8Very low26.6Very low124 Ų124139.6 Ų139.687%0.86779%0.789SS**  -145.7168.8124.765.50000109.9
711V25.1Very low26.8Very low121 Ų121142.3 Ų142.373%0.73379%0.794SS**  trans-136.7129.2-167.2176.90000112.9
712V24.7Very low26.9Very low143 Ų143144.4 Ų144.487%0.86780%0.8SS**  trans-138.5147.3160.4-178.50000108.8
713K26.9Very low27.2Very low197 Ų197140.7 Ų140.786%0.85780%0.796SS**  trans-105.3140.3175.8-68.8176.5177.8175.30111.1
714S25.1Very low27.2Very low120 Ų120140.5 Ų140.584%0.83980%0.795SS**  trans-154.2138.716049.40000110.5
715Q25.2Very low26.9Very low199 Ų199142.8 Ų142.893%0.9380%0.796SS**  trans-96.3136.6176-61.2157.6-93.500109.7
716A24Very low26.3Very low93 Ų93142.8 Ų142.877%0.76980%0.797SS**  trans-169.2128.8147.500000112.3
717F25.3Very low26.5Very low194 Ų194140.5 Ų140.585%0.85180%0.796SS**  trans8.2125.4147.2-65.5-92.7000120.3
718E27.2Very low26.8Very low196 Ų196141.7 Ų141.792%0.91680%0.801SS**  trans-65.8135.8135.6-65.1-179122.100108.3
719D26.7Very low26.3Very low134 Ų134145.3 Ų145.372%0.71781%0.808SS**  trans-133.6103.3169.2-158.8-9.4000110.7M721D719-M721 WeakPolarHBondContact OD1-CG 3.35Å
720G26.7Very low26.6Very low75 Ų75142.2 Ų142.277%0.77380%0.804SS**  trans-115.269-176.200000111.2L722G720-L722 PolarHBondContact O-N 3.15Å
721M27Very low26.8Very low145 Ų145141.3 Ų141.371%0.71480%0.804SS**  trans-86.1102.9-170.9-88.4-93.158.200114.6D719D719-M721 WeakPolarHBondContact OD1-CG 3.35Å
722L26.8Very low26.9Very low153 Ų153144.8 Ų144.880%0.80181%0.812SS**  trans-93.4117.4160.5-76.9168.1000110.4G720 L724G720-L722 PolarHBondContact O-N 3.15Å; L722-L724 PolarHBondContact O-N 3.07Å
723P29.8Very low27.1Very low120 Ų120145.7 Ų145.778%0.77981%0.812SS**  trans-87.2105.6172.331.7-31.2000112.3
724L24.3Very low27.2Very low153 Ų153142.3 Ų142.380%0.80181%0.81SS**  trans-88.3158.2139.8-60.6171.2000106.3L722L722-L724 PolarHBondContact O-N 3.07Å
725Q29.2Very low27.2Very low159 Ų159145.2 Ų145.274%0.74382%0.815SS**  cis-162.7-164.619.3-149.6163.345.500110.8
726C25Very low27.3Very low101 Ų101138.8 Ų138.868%0.68280%0.802SS**  trans9592.9155.5-62.30000121
727T29.2Very low27.1Very low131 Ų131140.4 Ų140.480%0.80481%0.806SS**  57.6147.1119.349.10000123.5
728P30.2Very low27.2Very low123 Ų123135.9 Ų135.980%0.79980%0.798SS**PPolyproline II helixtrans-94.5161.6-177.139.1-36.7000115.1
729E24.6Very low27.2Very low187 Ų187131 Ų13187%0.87479%0.786SS**PPolyproline II helixtrans-84.9160.3164.3-87.7-165.9130.200113.3
730P32.2Very low27.2Very low119 Ų119129.7 Ų129.777%0.77379%0.787SS**PPolyproline II helixtrans-86.9141.7-179.834.6-34.4000113.5
731A27.9Very low27.4Very low105 Ų105134.3 Ų134.387%0.86879%0.791SS**PPolyproline II helixtrans-84.2135.5168.300000111.2
732Q27.3Very low27.5Very low193 Ų193134.9 Ų134.990%0.90280%0.797SS**PPolyproline II helixtrans-82.9145.5176.5-65.2173.9-1600111.6
733L28.2Very low28Very low163 Ų163132.4 Ų132.485%0.85379%0.79SS**  trans-120.3140.9162.3-79.9170.8000109
734P29.2Very low27.8Very low126 Ų126134.2 Ų134.282%0.81879%0.793SS**  trans-76.3163.1-179.131.8-35.4000113.1
735L26.1Very low28Very low181 Ų181137 Ų13795%0.94880%0.799SS**  trans-128.7157.5-170.4-104.4169.2000113.6
736G25.5Very low27.9Very low63 Ų63135.7 Ų135.765%0.64980%0.802SS**  trans105.4132.8178.400000112.5
737C21.6Very low27.8Very low128 Ų128139.9 Ų139.987%0.86581%0.809SS**  cis-158.61657.3-900000108.7
738S26Very low27.6Very low98 Ų98143 Ų14369%0.68581%0.814SS**  cis-166.8-173.6-6.950.80000110.6
739S27.4Very low27.3Very low94 Ų94144.3 Ų144.366%0.65781%0.813SS**  trans58.383.614854.70000120.9
740S27.9Very low27.2Very low107 Ų107141.9 Ų141.975%0.74880%0.804SS**  68.7143.7117.166.80000124.1
741M29.8Very low26.8Very low171 Ų171143.2 Ų143.284%0.84280%0.8SS**  trans88.877.5160.2-59.8-55.3177.600120.1
742D29.3Very low26.6Very low158 Ų158144 Ų14485%0.84579%0.79SS**  47.9149.8122.3-98.124.1000124.3
743P37.8Very low26.6Very low100 Ų100141.6 Ų141.665%0.64978%0.783SS**  trans-101.3140-164.237.9-32.7000114.9
744N24.9Very low26.5Very low158 Ų158139.4 Ų139.485%0.84577%0.773SS**  trans-179.4110.2138.6-101.8-50.8000112.1
745K27.8Very low26.4Very low212 Ų212140.6 Ų140.692%0.92277%0.767SS**  trans-178.4158.7132-102163.5-175.9-178.60113.2
746T27.1Very low26.5Very low131 Ų131138.2 Ų138.280%0.80476%0.76SS**  trans-81.9163.3-178.1-49.90000111.7
747F24.5Very low26.6Very low190 Ų190139.5 Ų139.583%0.83377%0.765SS**  trans-35.1138.8166.5-74.8-101.5000114.7
748E23.8Very low26.9Very low196 Ų196138.1 Ų138.192%0.91676%0.757SS**  trans-145.7174.4132.6-132.9154.6-137.400109.7
749I23.8Very low26.8Very low150 Ų150141.2 Ų141.277%0.76977%0.766SS**  trans-122.4173.5-167-48.4172000108.2
750I23.1Very low26.9Very low136 Ų136141.8 Ų141.870%0.69778%0.776SS**  trans100.695.8159.6-59178.7000116
751E22.7Very low26.6Very low148 Ų148142.5 Ų142.569%0.69278%0.776SS**  74.6145.7126.3-73.7-179.1-14900124.6
752N24.8Very low26.5Very low120 Ų120142.6 Ų142.664%0.64278%0.778SS**  trans65.2143.1147.6-54.5-12.3000118.4
753D26.3Very low26.2Very low143 Ų143141.1 Ų141.177%0.76577%0.769SS**  cis-158.4177.8-9-129.8-37.2000111.5
754D27.1Very low25.5Very low118 Ų118143.9 Ų143.963%0.63178%0.777SS**  142.2153.9112.9-152.810000115.8
755Q27.9Very low25.4Very low151 Ų151140.2 Ų140.271%0.70676%0.764SS**  trans61119.2160-77.316564.600117.9
756T28.1Very low25.1Very low130 Ų130141.1 Ų141.180%0.79876%0.763SS**  cis-164.3148.912.529.90000111.2
757A27.8Very low25Very low91 Ų91138.7 Ų138.775%0.75276%0.764SS**  174.8103129.500000114
758S27.6Very low25Very low99 Ų99135.4 Ų135.469%0.69276%0.764SS**  trans36.4105.1145.360.80000121.8
759N24.3Very low25.8Very low163 Ų163131.3 Ų131.387%0.87276%0.755SS**  46.1113.3113.9-52.2-11000120.7
760A27.7Very low25.8Very low106 Ų106129.8 Ų129.888%0.87676%0.756SS**  trans-159.8102.4135.500000111.7
761T22.6Very low26Very low122 Ų122132.2 Ų132.275%0.74877%0.765SS**  trans-95.2119.1175.9-55.50000111.2I763T761-I763 HydrophobicContact CG2-CD1 3.87Å; T761-I763 HydrophobicContact CG2-CG1 4.29Å
762I26.7Very low26.3Very low173 Ų173130 Ų13089%0.88777%0.772SS**  trans-134.5153.4154.7-65.3-171.9000108.4
763I23.2Very low26.5Very low126 Ų126129.3 Ų129.365%0.64678%0.776SS**  trans-144.7143.9-151.3-107.6170.2000109.6T761T761-I763 HydrophobicContact CG2-CD1 3.87Å; T761-I763 HydrophobicContact CG2-CG1 4.29Å
764L23.4Very low26.6Very low158 Ų158128.5 Ų128.583%0.82778%0.776SS**  trans71.7151.6170.5-62.9164000117.6
765S22.2Very low26.9Very low81 Ų81127.9 Ų127.957%0.56678%0.782SS**  cis-172.4170-14.749.80000115
766Y22.7Very low27.1Very low232 Ų232125.1 Ų125.191%0.9179%0.785SS**  trans72.4137.3160.1-67.9-68.6000121.8
767G24.6Very low27.2Very low79 Ų79125.9 Ų125.981%0.81478%0.784SS**  trans162.159.4171.400000118.6
768S25.1Very low27.3Very low121 Ų121126.7 Ų126.785%0.84678%0.779SS**  trans-108.3175.2163.4-57.80000109.3
769P39.6Very low27.4Very low111 Ų111127.3 Ų127.372%0.72178%0.784SS**  cis-143.6170.5843.7-24.5000118.8
770C25.4Very low27.6Very low117 Ų117122.6 Ų122.679%0.79177%0.773SS**  trans46.1154.9139.4-61.30000126.7
771Q26.6Very low27.7Very low188 Ų188123.4 Ų123.488%0.87977%0.773SS**  trans81.8127.2165.8-50.5-163.58.400116.1
772A28.2Very low28Very low101 Ų101122.8 Ų122.884%0.83577%0.773SS**  cis93.214337.600000113
773S29.7Very low28.1Very low105 Ų105122.7 Ų122.773%0.73477%0.769SS**  cis-135.4-152.82.252.10000110.3
774T29.3Very low28.3Very low126 Ų126122.6 Ų122.677%0.77377%0.769SS**  cis-161.1-165.17.8-11.30000106
775S31.7Very low28.4Very low106 Ų106123.2 Ų123.274%0.74177%0.765SS**  cis-177.2151.3-11.540.20000105.8
776A32.2Very low28.4Very low93 Ų93126.7 Ų126.777%0.76978%0.777SS**  cis-137.2-133.3-13.100000105.9
777D30.7Very low29.5Very low146 Ų146120 Ų12078%0.78176%0.762SS**  cis-163.3179.9-8.7-142.64.9000106.6
778V30.4Very low29.6Very low107 Ų107123.7 Ų123.765%0.64876%0.758SS**  cis-152.1156.61.467.40000109.9
779S30.1Very low29.6Very low113 Ų113128.9 Ų128.979%0.7976%0.759SS**  trans39.7128.4163.565.90000121.6
780G27.3Very low28.9Very low64 Ų64127.7 Ų127.766%0.6676%0.758SS**  cis158.3152.8-8.600000114.9
781S29.9Very low28.9Very low123 Ų123126.1 Ų126.186%0.8675%0.754SS**  trans57.4148.3159.852.10000120.3
782S28.1Very low28.9Very low109 Ų109126.7 Ų126.776%0.76276%0.756SS**  cis-170.2144.9-13.544.40000107.4
783Q30.1Very low28.7Very low170 Ų170125.2 Ų125.279%0.79475%0.751SS**  cis107.2143.527.6-156.2-159.864.700113.1
784L27.5Very low28.5Very low125 Ų125127.5 Ų127.565%0.65476%0.755SS**  trans80.3153.3176.8-51.1179.4000114.6
785K25.3Very low28.4Very low170 Ų170128.9 Ų128.974%0.73975%0.753SS**  cis-155.3158.4-5-110.8157.5-172.9173.50106.6
786L22.8Very low28Very low154 Ų154129.2 Ų129.281%0.80675%0.75SS**  cis75.914231.4-73.6169.9000115.6
787P45.4Very low27.7Very low93 Ų93130.3 Ų130.360%0.60475%0.752SS**  cis-146.8-174.7-1.243.9-24.2000118.5
788H25.8Very low27.5Very low156 Ų156127.5 Ų127.572%0.72275%0.749SS**  trans72.7126.3145-72.7-33000123.4
789R25.3Very low27.4Very low230 Ų230131.9 Ų131.987%0.86876%0.76SS**  71.5145.599.5-78-175.6158.6176.1-6.5116
790A25.8Very low27.2Very low86 Ų86136.4 Ų136.471%0.71176%0.759SS**  cis-169.1166.5-12.200000112.3
791A25.5Very low27.3Very low84 Ų84140.8 Ų140.869%0.69476%0.763SS**  trans57.5135151.500000123.7
792E25.6Very low27.1Very low199 Ų199142 Ų14293%0.9376%0.759SS**  trans55.9157.3145.4-66162.1-144.600120.5
793G24.3Very low27.1Very low70 Ų70144.2 Ų144.272%0.72276%0.761SS**  cis172.5126.2-11.500000114.1
794N25.4Very low26.8Very low154 Ų154139.1 Ų139.182%0.82475%0.754SS**  trans75.6137.5159.6-94.5-20.7000124.5
795Q26.8Very low27.3Very low155 Ų155138.5 Ų138.572%0.72476%0.757SS**  trans85.2109.5141.2-70.3-176.634.400126
796T24.3Very low27.5Very low112 Ų112137.5 Ų137.569%0.68776%0.76SS**  76.7117.4126.658.50000126.1
797S24.7Very low27.7Very low117 Ų117137.2 Ų137.282%0.81875%0.754SS**  trans74.1152.5131.378.50000120.4
798A27.5Very low26.9Very low86 Ų86139.7 Ų139.771%0.71176%0.758SS**  cis-170.8-176.6-15.800000111
799K27.8Very low27Very low200 Ų200137.8 Ų137.887%0.8776%0.757SS**  trans77.6149.6167.1-63.3171.7-178.5169.50116.9
800R27.1Very low27.3Very low208 Ų208136.1 Ų136.179%0.78576%0.756SS**  cis-156.2127.3-16.6-137.2-177.3173.4169-0.6113.6
801Q28.7Very low27.5Very low156 Ų156143.9 Ų143.973%0.72977%0.767SS**  trans18.3139.6138.5-53.7168.5-60.400122.7
802N25.5Very low27.7Very low147 Ų147146 Ų14679%0.78677%0.771SS**  -162.3131.6117.9-117.2-6.4000115.9
803I28Very low28.3Very low157 Ų157144 Ų14481%0.80577%0.767SS**  trans67145.8150.7-56.8166.6000119.6
804G22.9Very low28.7Very low63 Ų63146.6 Ų146.665%0.64977%0.771SS**  trans-112.6-143.1178.500000113
805P39.1Very low29.1Very low111 Ų111145.8 Ų145.872%0.72177%0.772SS**  cis-140.9177.617.846.8-30.4000116.5
806L29.5Very low29.6Very low150 Ų150148.8 Ų148.879%0.78578%0.778SS**  trans54.9144.7158.2-58.1157.7000117.6
807Q27.6Very low29.9Very low147 Ų147150.9 Ų150.969%0.68778%0.782SS**  cis-156.5150.3-5.8-111.4175.7-68.100107
808E26.9Very low30.2Very low146 Ų146152.5 Ų152.568%0.68278%0.782SS**  cis-146.5-110-6.2-153.6-175.4-69.100114.3
809T29.1Very low30.3Very low115 Ų115156.7 Ų156.771%0.70679%0.788SS**  trans-135.3136.8-153.745.60000115.8
810K31.9Very low30.7Very low196 Ų196152.8 Ų152.885%0.85278%0.781SS**  trans-80.7163.8163.6-51169.9-178.6176.30110.6
811R29.3Very low30.8Very low248 Ų248148.2 Ų148.294%0.93678%0.781SS**  -163172.1126.2-110.8165-166.4-159.42.3114.3
812T30.3Very low31Very low128 Ų128144.8 Ų144.879%0.78578%0.78SS**  trans-107.9159.9-16346.80000113.8
813N38.5Very low31Very low158 Ų158143 Ų14385%0.84579%0.785SS**  trans-55146.3-177.3-49-0.4000115.1
814P32.9Very low31.1Very low125 Ų125144.6 Ų144.681%0.81279%0.79SS**  trans-111.6-178.5146.137.9-29.4000112.2
815T33Very low31.5Very low136 Ų136144.8 Ų144.883%0.83479%0.791SS**  trans-93.4174.1-169.2-42.30000113.4
816Y37.1Very low31.2Very low219 Ų219149.4 Ų149.486%0.85980%0.8SS**SBendtrans-33144171.8-167.6-101.5000116.3
817M30.3Very low31.2Very low156 Ų156153.3 Ų153.377%0.76880%0.804SS**  trans71.880.7-171.6-64.2-138.769.100116.3
818D30.6Very low31.8Very low151 Ų151155.8 Ų155.881%0.80781%0.813SS**  -156.2-179.8117-135.1-30.7000112.2
819M29.8Very low31.8Very low173 Ų173157.7 Ų157.785%0.85282%0.819SS**  trans89.761.6-178.4-62.2-76.9-74.500116.6
820T35.9Very low31.7Very low118 Ų118158.2 Ų158.272%0.72482%0.817SS**  trans-78.6171.8142.554.80000110.2
821S31Very low31.4Very low112 Ų112159.3 Ų159.378%0.78382%0.816SS**  trans83.4144.6171-56.10000117.2
822A31.2Very low31.3Very low85 Ų85152 Ų15270%0.70280%0.803SS**  cis-160.4158.5-15.300000112.3
823A26.6Very low31.1Very low108 Ų108156.2 Ų156.289%0.89381%0.811SS**  trans-14057.8162.500000111.1
824Q30.3Very low30.6Very low192 Ų192157.2 Ų157.290%0.89781%0.808SS**  trans-83.8148.1159.8-58.6-179.37.700108.3
825G30.3Very low30.3Very low66 Ų66159.6 Ų159.668%0.6881%0.808SS**  cis158.2137.8-3.800000110.6
826K32.5Very low30.1Very low208 Ų208160.8 Ų160.890%0.90480%0.804SS**  trans-149.7141.6173.6-72.2-173.2-178177.90110.5
827R30.4Very low29.6Very low233 Ų233158.6 Ų158.688%0.87980%0.799SS**  cis-164144-29.1-127.5-179.3-165.7-174.23.7106.7
828K39.4Very low29.5Very low199 Ų199160 Ų16087%0.86580%0.804SS**  trans-82.5149.9165.7-73-178175.8179.10110.3
829F26.6Very low29.4Very low186 Ų186156.1 Ų156.182%0.81680%0.799SS**  trans-162.1118.6148.5-120.5-108.9000105
830N27Very low29.3Very low125 Ų125157.4 Ų157.467%0.66880%0.801SS**  70.8144.986.9-73.1-25.5000114.9
831R25.8Very low28.9Very low219 Ų219157.2 Ų157.283%0.82680%0.804SS**  cis-170.2130.3-21.8-169.1-171.2177.7177.5-0.5109
832S28.3Very low29Very low94 Ų94156.1 Ų156.166%0.65780%0.802SS**  trans42.1128.2157.363.10000122.9
833F25.8Very low29.6Very low217 Ų217157.1 Ų157.195%0.95280%0.801SS**  trans-149.8169.8138.7-111.4-80.6000110.8
834K27.6Very low29.9Very low180 Ų180161 Ų16178%0.78380%0.798SS**  trans-88.7159.1176.5-56.2175.8176.1178.30110.1
835E27.2Very low29.8Very low175 Ų175162.5 Ų162.582%0.81880%0.795SS**  -173.215276.1-114.4151.9-150.200114.9
836E27.6Very low29.7Very low160 Ų160165.2 Ų165.275%0.74879%0.793SS**  trans35.6131.8149.8-68.7-160.6156.600129.3
837F27.8Very low29.5Very low173 Ų173164.3 Ų164.376%0.75979%0.789SS**  trans82.3136.5137.2-85.8-64.5000126.6
838Q27Very low29.5Very low187 Ų187160.2 Ų160.287%0.87478%0.777SS**  trans60141.1169.1-67.3177.2-16.400117.4
839G28.4Very low29Very low68 Ų68157.6 Ų157.670%0.70177%0.768SS**  cis140.3140.62.900000109.5
840F29.3Very low29.1Very low201 Ų201154.1 Ų154.188%0.88277%0.767SS**  cis-161.7156.76.5-124.4-80.6000111.8
841S26.2Very low29.3Very low114 Ų114153 Ų15380%0.79777%0.769SS**  trans74155.3149.578.60000122.8
842A34.4Very low29.6Very low89 Ų89149.2 Ų149.274%0.73677%0.77SS**  trans-125168.9165.100000108.2
843P43Very low29.7Very low106 Ų106148.7 Ų148.769%0.68877%0.771SS**  -163.9169.789.742.9-22.3000120
844K34Very low29.9Very low188 Ų188147.6 Ų147.682%0.81777%0.769SS**  trans61113.6140.5-71.7161.5-172.1171.50124
845R26.7Very low29.9Very low224 Ų224150.1 Ų150.185%0.84577%0.774SS**  68.6145104.7-150.6-164.2-172.9-171.45.7121.6
846I29.2Very low31.1Very low124 Ų124146.9 Ų146.964%0.63677%0.768SS**  trans116.1125.2145.6-61-174.5000120.9
847K28.2Very low31.1Very low189 Ų189147.2 Ų147.282%0.82277%0.774SS**  trans64.1168.7154.5-75.7168.6-176.3-179.40122.2
848K30Very low31.2Very low146 Ų146149.2 Ų149.264%0.63578%0.777SS**  cis179.3130.9-37.9-175.4172.6-164.4-87.10112
849E27.8Very low31.2Very low145 Ų145146.1 Ų146.168%0.67877%0.77SS**  trans54.1146.5154-71161.4-161.700125.8
850S30.5Very low31.1Very low112 Ų112151.3 Ų151.378%0.78378%0.776SS**  trans72.5160.7143.776.30000120.5
851S31Very low31.1Very low103 Ų103152.5 Ų152.572%0.7278%0.775SS**  cis-172.3172.7-32.661.40000112.4
852V30.6Very low31.2Very low139 Ų139156.4 Ų156.484%0.84278%0.778SS**  trans79.1139.5158.9-179.80000120.9
853A30.6Very low31Very low83 Ų83158.3 Ų158.369%0.68678%0.78SS**  trans-83.8177-171.500000117.5
854Q30.7Very low30.2Very low193 Ų193157.3 Ų157.390%0.90279%0.79SS**  -178.4177.7117.9-96.9-170.628.200115
855R27.6Very low29.9Very low233 Ų233153.4 Ų153.488%0.87979%0.786SS**  trans-108.4-156175.4-44.6168.8167.5167.1-6.7109.4
856P52.3Low30Very low108 Ų108150.4 Ų150.470%0.70178%0.782SS**  cis-126.9-168.8-37.435.8-17.7000111.9
857L28.1Very low30Very low167 Ų167151.4 Ų151.487%0.87479%0.788SS**  trans-177.3-171.6133.9-96.4166.6000113.4
858R28.7Very low29.9Very low215 Ų215152 Ų15281%0.81179%0.79SS**  -154.8137.7-121.7178.7-176.3-178.1-169.82.5117.3
859V27.6Very low30.6Very low121 Ų121150 Ų15073%0.73379%0.793SS**  trans72.3155.8155.3166.10000114.9
860Q26.9Very low30.5Very low177 Ų177154.3 Ų154.383%0.82780%0.803SS**  cis-149.4-179.237.3-153.1153.12.800116.4
861R28.9Very low30.6Very low226 Ų226160.5 Ų160.585%0.85381%0.809SS**  trans-111.4162.5177.6-81.7178.2165.4175.8-5112.1
862F28Very low30.2Very low196 Ų196162.5 Ų162.586%0.8682%0.817SS**  trans-158.5-172132.2-110.5-66.9000112.8
863T29.8Very low30.2Very low129 Ų129161.6 Ų161.679%0.79181%0.811SS**  trans-133.2154.2-155.9510000114.8
864G27.3Very low30Very low86 Ų86168.7 Ų168.789%0.88782%0.82SS**  trans-173.9166.7172.100000113.1
865S26.4Very low29.8Very low105 Ų105164.7 Ų164.773%0.73481%0.813SS**  trans-125.5159-171.2-164.60000114.9
866E28.9Very low29.8Very low162 Ų162160.6 Ų160.676%0.75781%0.814SS**  trans83.9151.4147.6-110.8163.8-100.800123.9
867N29.5Very low28.6Very low145 Ų145160.2 Ų160.278%0.77581%0.814SS**  trans69.7139171.5-67.5-52.3000121.3
868K27.3Very low29Very low200 Ų200161.7 Ų161.787%0.8782%0.816SS**  trans-121.5180175.7-61.9176.2177.7168.10107.2
869P44.3Very low29.1Very low106 Ų106154.8 Ų154.869%0.68881%0.812SS**  cis-135.7157.4-3.337.2-19.8000116.1
870R25.2Very low29.1Very low234 Ų234156.4 Ų156.488%0.88382%0.816SS**  167.4103.3118.6-91.8172.6179.3-167.61.4114.9
871R32.2Very low29.3Very low242 Ų242156 Ų15691%0.91382%0.819SS**  trans35.795.5131.2-163.8-170.6-154-179.57.3119.3
872V23.8Very low29.4Very low146 Ų146149.6 Ų149.689%0.88581%0.809SS**  trans-128160.1146.7-179.40000108.4
873V30.9Very low29.7Very low120 Ų120146.9 Ų146.973%0.72781%0.808SS**  trans-112.5132.2-169.1175.50000111.5
874R24.8Very low29.5Very low232 Ų232147.3 Ų147.388%0.87581%0.805SS**  trans-175.4156.4133.4-105.5167.7-174.1-172.31.5114.2
875S27.5Very low29.5Very low108 Ų108151.1 Ų151.176%0.75580%0.799SS**  trans34.4120.1155.156.70000120.7
876V27.3Very low29.6Very low148 Ų148155.2 Ų155.290%0.89781%0.806SS**  trans-122.5127.2142.9177.40000107.4
877S27.7Very low29.6Very low99 Ų99155.6 Ų155.669%0.69281%0.808SS**  trans-87.3157.9173.348.20000111.5
878E35.4Very low29.6Very low199 Ų199157.8 Ų157.893%0.9381%0.811SS**SBendtrans17.1107.9154.8-58.7-175.1146.600118.3
879G31.1Very low29.7Very low69 Ų69154 Ų15471%0.71181%0.807SS**  trans177.1132.2167.300000112.7
880N28.1Very low29.1Very low155 Ų155158.9 Ų158.983%0.82982%0.817SS**  trans53.585168.4-59.4-16.6000116.9
881L30.5Very low29.6Very low170 Ų170150.9 Ų150.989%0.8980%0.797SS**  trans-10843.6160.7-116.1171.8000111.9
882S31.1Very low29.8Very low90 Ų90146 Ų14663%0.62979%0.789SS**  trans-125.9150.8163.358.10000108.6
883V34.1Very low30.6Very low140 Ų140143.8 Ų143.885%0.84877%0.767SS**  trans63.675.9-165-165.80000113
884L27.1Very low31Very low138 Ų138146.1 Ų146.172%0.72376%0.764SS**  trans-126.399155.3-127.1171.2000107.9
885E27.6Very low31.5Very low165 Ų165142.3 Ų142.377%0.77175%0.754SS**  trans-60160.7176.2-65.2-175.3118.400111.5Q887E885-Q887 PolarHBondContact O-N 3.18Å
886H28Very low32.1Very low191 Ų191139.7 Ų139.788%0.88473%0.733SS**  trans-70.170.8179.6-79.332.8000113.1K888H886-K888 PolarHBondContact O-N 3.1Å
887Q29.2Very low32.6Very low171 Ų171134.8 Ų134.880%0.79971%0.706SS**  trans-64100.8161.3-70.5-158.317.400109.1E885 P889E885-Q887 PolarHBondContact O-N 3.18Å; Q887-P889 VanDerWaalsContact O-N 3.11Å
888K28.9Very low33.2Very low190 Ų190133.8 Ų133.883%0.82669%0.69SS**  trans-47.4118.6174-67.3177.6-179.6175.10109.1H886 K890H886-K888 PolarHBondContact O-N 3.1Å; K888-K890 VanDerWaalsContact O-N 3.12Å; K888-K890 PolarHBondContact O-N 3.11Å
889P30Very low33.4Very low120 Ų120129.2 Ų129.278%0.77967%0.669SS**  trans-61.2122.1-176.523.1-32.7000109.2Q887 S891Q887-P889 VanDerWaalsContact O-N 3.11Å; P889-S891 PolarHBondContact O-N 2.89Å
890K31.9Very low33.9Very low209 Ų209128.8 Ų128.891%0.90965%0.649SS**  trans-67.885.7177.5-73.6-179.6179.1172.70109K888 L892K888-K890 VanDerWaalsContact O-N 3.12Å; K888-K890 PolarHBondContact O-N 3.11Å; K890-L892 PolarHBondContact O-N 3.35Å
891S34.3Very low34.5Very low67 Ų67127.5 Ų127.547%0.46964%0.636SS.*  trans-52.6117.6-167.5179.70000112.4P889 F893 Y894P889-S891 PolarHBondContact O-N 2.89Å; S891-F893 PolarHBondContact O-N 2.56Å; S891-F893 PolarHBondContact OG-N 3.47Å; S891-Y894 WeakPolarHBondContact O-CB 3.31Å; S891-Y894 PolarHBondContact O-N 3.39Å
892L37.3Very low35Very low140 Ų140127 Ų12773%0.73362%0.623SS**Hα-helixtrans-55.3-33.3170.1-77.2160.9000110.9K890 Y894 K895 T896K890-L892 PolarHBondContact O-N 3.35Å; L892-Y894 VanDerWaalsContact C-N 3.26Å; L892-Y894 PolarHBondContact O-N 3.36Å; L892-K895 PolarHBondContact O-N 2.64Å; L892-K895 WeakPolarHBondContact O-CB 3.12Å; L892-T896 PolarHBondContact O-N 3.4Å; L892-T896 PolarHBondContact O-OG1 3.33Å
893F40.8Very low35.5Very low98 Ų98126.7 Ų126.743%0.4362%0.617SS.*Hα-helixtrans-70.6-12.2177.7-70.4-82.6000114.8R559 S891 K895 T896 S897R559-F893 VanDerWaalsContact NH2-CZ 3.3Å; S891-F893 PolarHBondContact O-N 2.56Å; S891-F893 PolarHBondContact OG-N 3.47Å; F893-K895 PolarHBondContact O-N 2.76Å; F893-T896 HydrophobicContact CD1-CG2 4.39Å; F893-T896 PolarHBondContact O-N 2.63Å; F893-S897 VanDerWaalsContact O-CB 3.23Å; F893-S897 WeakPolarHBondContact O-CB 3.25Å; F893-S897 PolarHBondContact O-N 3.2Å
894Y38Very low35.8Very low169 Ų169121.3 Ų121.366%0.66359%0.587SS**Hα-helixtrans-66.3-29.9166.6-156.1-106.2000111S891 L892 Q898S891-Y894 WeakPolarHBondContact O-CB 3.31Å; S891-Y894 PolarHBondContact O-N 3.39Å; L892-Y894 VanDerWaalsContact C-N 3.26Å; L892-Y894 PolarHBondContact O-N 3.36Å; Y894-Q898 PolarHBondContact O-N 2.91Å; Y894-Q898 WeakPolarHBondContact O-CG 3.47Å; Y894-Q898 WeakPolarHBondContact O-CB 3.17Å; Y894-Q898 VanDerWaalsContact O-CG 3.23Å; Y894-Q898 VanDerWaalsContact CE1-NE2 3.25Å
895K36.5Very low36.3Very low152 Ų152123.1 Ų123.166%0.66159%0.589SS**Hα-helixtrans-77.5-41.6170.6-63.7-173.1178.4-176.70111.8L892 F893 Q898 Q899L892-K895 PolarHBondContact O-N 2.64Å; L892-K895 WeakPolarHBondContact O-CB 3.12Å; F893-K895 PolarHBondContact O-N 2.76Å; K895-Q898 CarbonylContact O-C 3.24Å; K895-Q898 PolarHBondContact O-N 3.02Å; K895-Q899 WeakPolarHBondContact O-CG 3.39Å; K895-Q899 PolarHBondContact O-N 2.88Å
896T39.7Very low36.6Very low53 Ų53126.3 Ų126.333%0.32559%0.594SS.*Hα-helixtrans-65.3-44.4178.7-33.20000112.2L892 F893 Q898 Q899 I900L892-T896 PolarHBondContact O-N 3.4Å; L892-T896 PolarHBondContact O-OG1 3.33Å; F893-T896 HydrophobicContact CD1-CG2 4.39Å; F893-T896 PolarHBondContact O-N 2.63Å; T896-Q898 VanDerWaalsContact C-N 3.32Å; T896-Q898 PolarHBondContact O-N 3.38Å; T896-Q899 WeakPolarHBondContact O-CA 3.4Å; T896-Q899 WeakPolarHBondContact O-CB 3.35Å; T896-Q899 PolarHBondContact O-N 2.66Å; T896-I900 PolarHBondContact O-N 3.27Å; T896-I900 WeakPolarHBondContact O-CG1 3.27Å
897S38.2Very low36.9Very low46 Ų46124.2 Ų124.232%0.32259%0.586SS.*Hα-helixtrans-63.6-36.8174-175.10000111.9F893 Q899 K901F893-S897 VanDerWaalsContact O-CB 3.23Å; F893-S897 WeakPolarHBondContact O-CB 3.25Å; F893-S897 PolarHBondContact O-N 3.2Å; S897-Q899 VanDerWaalsContact C-N 3.34Å; S897-K901 VanDerWaalsContact O-CB 3.31Å; S897-K901 WeakPolarHBondContact O-CB 3.43Å; S897-K901 WeakPolarHBondContact O-CG 3.32Å; S897-K901 PolarHBondContact O-N 3.33Å
898Q39Very low37.3Very low77 Ų77121.9 Ų121.936%0.3658%0.576SS.*Hα-helixtrans-68.3-28.6170-79.2-172.311.200113.5Y894 K895 T896 R902Y894-Q898 PolarHBondContact O-N 2.91Å; Y894-Q898 WeakPolarHBondContact O-CG 3.47Å; Y894-Q898 WeakPolarHBondContact O-CB 3.17Å; Y894-Q898 VanDerWaalsContact O-CG 3.23Å; Y894-Q898 VanDerWaalsContact CE1-NE2 3.25Å; K895-Q898 CarbonylContact O-C 3.24Å; K895-Q898 PolarHBondContact O-N 3.02Å; T896-Q898 VanDerWaalsContact C-N 3.32Å; T896-Q898 PolarHBondContact O-N 3.38Å; Q898-R902 WeakPolarHBondContact O-CB 3.33Å; Q898-R902 WeakPolarHBondContact O-CD 3.41Å; Q898-R902 WeakPolarHBondContact O-CG 3.48Å; Q898-R902 PolarHBondContact O-N 3.36Å; Q898-R902 VanDerWaalsContact O-N 3.14Å
899Q39.8Very low37.7Very low104 Ų104118.3 Ų118.349%0.48656%0.562SS.*Hα-helixtrans-72.5-45173.1-77.8175.7-56.600111.1K895 T896 S897 K901 R902 V903K895-Q899 WeakPolarHBondContact O-CG 3.39Å; K895-Q899 PolarHBondContact O-N 2.88Å; T896-Q899 WeakPolarHBondContact O-CA 3.4Å; T896-Q899 WeakPolarHBondContact O-CB 3.35Å; T896-Q899 PolarHBondContact O-N 2.66Å; S897-Q899 VanDerWaalsContact C-N 3.34Å; Q899-K901 PolarHBondContact O-N 3.5Å; Q899-K901 VanDerWaalsContact C-N 3.35Å; Q899-R902 CarbonylContact O-C 3.55Å; Q899-R902 WeakPolarHBondContact O-CA 3.44Å; Q899-R902 WeakPolarHBondContact O-CB 3.12Å; Q899-R902 PolarHBondContact O-N 2.99Å; Q899-V903 WeakPolarHBondContact O-CG2 3.32Å; Q899-V903 PolarHBondContact O-N 2.87Å
900I42.1Very low38.2Very low59 Ų59118.2 Ų118.230%0.30355%0.55SS.*Hα-helixtrans-59.4-46173.3-63.7166.5000110.1I566 L567 T896 R902 V903 A904I566-I900 HydrophobicContact CG2-CG2 3.81Å; L567-I900 HydrophobicContact CD2-CG2 4.19Å; T896-I900 PolarHBondContact O-N 3.27Å; T896-I900 WeakPolarHBondContact O-CG1 3.27Å; I900-R902 PolarHBondContact O-N 3.05Å; I900-R902 VanDerWaalsContact O-N 3.11Å; I900-V903 PolarHBondContact O-N 2.92Å; I900-V903 VanDerWaalsContact O-N 3.14Å; I900-A904 PolarHBondContact O-N 3.24Å
901K41.1Very low38.5Very low128 Ų128112.8 Ų112.856%0.55753%0.529SS*.Hα-helixtrans-68.1-1172-73.3-174.1172.3-174.60115.5S897 Q899 K905S897-K901 VanDerWaalsContact O-CB 3.31Å; S897-K901 WeakPolarHBondContact O-CB 3.43Å; S897-K901 WeakPolarHBondContact O-CG 3.32Å; S897-K901 PolarHBondContact O-N 3.33Å; Q899-K901 PolarHBondContact O-N 3.5Å; Q899-K901 VanDerWaalsContact C-N 3.35Å; K901-K905 WeakPolarHBondContact O-CB 3.44Å
902R39.9Very low38.8Very low161 Ų161115.7 Ų115.761%0.60853%0.533SS*.Hα-helixtrans-108.2-24.1169.7-76.3169.3-169.5-160.65.8112.5Q898 Q899 I900 R906Q898-R902 WeakPolarHBondContact O-CB 3.33Å; Q898-R902 WeakPolarHBondContact O-CD 3.41Å; Q898-R902 WeakPolarHBondContact O-CG 3.48Å; Q898-R902 PolarHBondContact O-N 3.36Å; Q898-R902 VanDerWaalsContact O-N 3.14Å; Q899-R902 CarbonylContact O-C 3.55Å; Q899-R902 WeakPolarHBondContact O-CA 3.44Å; Q899-R902 WeakPolarHBondContact O-CB 3.12Å; Q899-R902 PolarHBondContact O-N 2.99Å; I900-R902 PolarHBondContact O-N 3.05Å; I900-R902 VanDerWaalsContact O-N 3.11Å; R902-R906 WeakPolarHBondContact O-CB 3.35Å; R902-R906 WeakPolarHBondContact O-CD 3.23Å; R902-R906 VanDerWaalsContact O-CG 3.31Å; R902-R906 WeakPolarHBondContact O-CG 3.44Å
903V41.8Very low38.9Very low83 Ų83114.1 Ų114.150%0.50352%0.52SS..Hα-helixtrans-77.7-51.5172173.30000109.4Q899 I900 K905 R906 M907Q899-V903 WeakPolarHBondContact O-CG2 3.32Å; Q899-V903 PolarHBondContact O-N 2.87Å; I900-V903 PolarHBondContact O-N 2.92Å; I900-V903 VanDerWaalsContact O-N 3.14Å; V903-K905 PolarHBondContact O-N 2.95Å; V903-R906 PolarHBondContact O-N 2.98Å; V903-R906 VanDerWaalsContact O-N 3.09Å; V903-M907 HydrophobicContact CG1-SD 3.99Å; V903-M907 PolarHBondContact O-N 2.9Å
904A40Very low38.8Very low26 Ų26115.2 Ų115.222%0.21553%0.526CS..THydrogen-bonded Turntrans-75.232.4170.900000113.4A570 I900A570-A904 HydrophobicContact CB-CB 4.08Å; I900-A904 PolarHBondContact O-N 3.24Å
905K38.3Very low38.8Very low177 Ų177111.1 Ų111.177%0.7752%0.516SS*.THydrogen-bonded Turntrans-147.522.3171.1-139.6-169.3-171.6-162.80111.6K901 V903 M907K901-K905 WeakPolarHBondContact O-CB 3.44Å; V903-K905 PolarHBondContact O-N 2.95Å; K905-M907 VanDerWaalsContact CA-OXT 3.32Å; K905-M907 WeakPolarHBondContact CA-OXT 3.27Å; K905-M907 PolarHBondContact N-OXT 2.75Å
906R34.4Very low39Very low232 Ų232107.7 Ų107.788%0.87550%0.503SS*.THydrogen-bonded Turntrans-145.6-39.9-176-87.1-175.6166.5-156.5-6.2108.4R902 V903R902-R906 WeakPolarHBondContact O-CB 3.35Å; R902-R906 WeakPolarHBondContact O-CD 3.23Å; R902-R906 VanDerWaalsContact O-CG 3.31Å; R902-R906 WeakPolarHBondContact O-CG 3.44Å; V903-R906 PolarHBondContact O-N 2.98Å; V903-R906 VanDerWaalsContact O-N 3.09Å
907M34Very low39Very low146 Ų146112.6 Ų112.672%0.71952%0.52SS*.  trans-79.70135.4-43.8174.586.600108.8Q574 V903 K905Q574-M907 VanDerWaalsContact NE2-CE 3.27Å; Q574-M907 PolarHBondContact NE2-SD 2.79Å; Q574-M907 VanDerWaalsContact NE2-SD 3.37Å; V903-M907 HydrophobicContact CG1-SD 3.99Å; V903-M907 PolarHBondContact O-N 2.9Å; K905-M907 VanDerWaalsContact CA-OXT 3.32Å; K905-M907 WeakPolarHBondContact CA-OXT 3.27Å; K905-M907 PolarHBondContact N-OXT 2.75Å

Retrieved 907 of 907 residues in 889.3 ms (Link to these results)

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