A0A3Q0KVA0_SCHMA Loading...

V-type proton ATPase subunit C

Subunit of the V1 complex of vacuolar(H+)-ATPase (V-ATPase), a multisubunit enzyme composed of a peripheral complex (V1) that hydrolyzes ATP and a membrane integral complex (V0) that translocates protons. V-ATPase is responsible for acidifying and maintaining the pH of intracellular compartments and in some cell types, is targeted to the plasma membrane, where it is responsible for acidifying the extracellular environment. Subunit C is necessary for the assembly of the catalytic sector of the enzyme and is likely to have a specific function in its catalytic activity.

AlphaFold DB , UniProt , Accession A0A3Q0KVA0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 384 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
1M62.9Low91.6Very high163 Ų16326.2 Ų26.280%0.80314%0.139SC*.  0123.50-77.1-171.1-11400108.1N379M1-N379 HydrophobicContact SD-CB 4.34Å
2T81.9Confident91.5Very high61 Ų6130.9 Ų30.937%0.37416%0.159SC..  trans-96122.4-175.6-47.50000108.7F4 E324 L378T2-F4 HydrophobicContact CG2-CD2 4.03Å; T2-F4 HydrophobicContact CG2-CE2 3.4Å; T2-F4 VanDerWaalsContact CG2-CE2 3.4Å; T2-F4 HydrophobicContact CG2-CZ 4.06Å; T2-E324 HydrophobicContact CG2-CG 4.19Å; T2-E324 VanDerWaalsContact CG2-OE1 3.26Å; T2-E324 WeakPolarHBondContact CG2-OE1 3.31Å; T2-L378 HydrophobicContact CG2-CD1 4.43Å; T2-L378 PolarHBondContact O-N 2.78Å
3E90.7Very high91.2Very high33 Ų3346.8 Ų46.815%0.15422%0.216CC..EExtended strand (participates in β ladder)trans-118137.2174.3180179.8101.700106.8W5 P325 Q330E3-W5 PolarHBondContact OE1-NE1 3.13Å; E3-P325 VanDerWaalsContact O-CD 3.26Å; E3-P325 WeakPolarHBondContact O-CD 3.33Å; E3-P325 WeakPolarHBondContact O-CG 3.39Å; E3-Q330 PolarHBondContact OE1-NE2 3.49Å
4F96.1Very high91.4Very high1 Ų148.1 Ų48.10%0.00423%0.226CC..EExtended strand (participates in β ladder)trans-113.8150.6172.6-73.8-96.8000110.1T2 A101 L104 T105 L322 L323 E324 K375 V376 L378T2-F4 HydrophobicContact CG2-CD2 4.03Å; T2-F4 HydrophobicContact CG2-CE2 3.4Å; T2-F4 VanDerWaalsContact CG2-CE2 3.4Å; T2-F4 HydrophobicContact CG2-CZ 4.06Å; F4-A101 HydrophobicContact CE2-CB 4Å; F4-A101 HydrophobicContact CZ-CB 4.18Å; F4-L104 HydrophobicContact CB-CD2 3.6Å; F4-L104 HydrophobicContact CD1-CD2 4.22Å; F4-L104 HydrophobicContact CD2-CD2 3.7Å; F4-L104 HydrophobicContact CE2-CD2 4.41Å; F4-L104 HydrophobicContact CG-CD2 3.58Å; F4-T105 HydrophobicContact CE1-CG2 3.7Å; F4-T105 HydrophobicContact CZ-CG2 3.98Å; F4-L322 HydrophobicContact CB-CD1 3.87Å; F4-L322 HydrophobicContact CD1-CD1 4.03Å; F4-L322 HydrophobicContact CD1-CD2 3.74Å; F4-L322 HydrophobicContact CD1-CG 3.77Å; F4-L322 HydrophobicContact CE1-CD2 4.03Å; F4-L322 HydrophobicContact CE1-CG 4.49Å; F4-L322 HydrophobicContact CG-CD1 4.3Å; F4-L323 CarbonylContact C-O 3.33Å; F4-L323 VanDerWaalsContact CA-O 3.29Å; F4-L323 WeakPolarHBondContact CA-O 3.46Å; F4-E324 HydrophobicContact CD1-CB 3.89Å; F4-E324 HydrophobicContact CD1-CG 4.25Å; F4-E324 HydrophobicContact CE1-CB 3.59Å; F4-E324 HydrophobicContact CE1-CG 3.8Å; F4-E324 HydrophobicContact CE2-CG 4.44Å; F4-E324 HydrophobicContact CZ-CB 4.21Å; F4-E324 HydrophobicContact CZ-CG 3.9Å; F4-K375 CarbonylContact O-C 3.53Å; F4-V376 HydrophobicContact CB-CB 4.24Å; F4-V376 PolarHBondContact N-O 3.49Å; F4-V376 PolarHBondContact O-N 3.06Å; F4-L378 HydrophobicContact CD2-CD1 3.71Å; F4-L378 HydrophobicContact CD2-CG 4.08Å; F4-L378 HydrophobicContact CE2-CD1 3.45Å; F4-L378 VanDerWaalsContact CE2-CD1 3.45Å; F4-L378 HydrophobicContact CE2-CG 4.32Å
5W97Very high91.5Very high2 Ų247.3 Ų47.31%0.00823%0.226CC..EExtended strand (participates in β ladder)trans-114.2128.9170.8-59.2-17.1000109.3E3 I7 L322 L323 P325 Q330 L333 R334 L337 F374E3-W5 PolarHBondContact OE1-NE1 3.13Å; W5-I7 HydrophobicContact CB-CG2 4.48Å; W5-L322 CarbonylContact O-C 3.57Å; W5-L322 WeakPolarHBondContact O-CA 3.47Å; W5-L323 HydrophobicContact CB-CB 4.31Å; W5-L323 PolarHBondContact N-O 2.77Å; W5-L323 PolarHBondContact O-N 3.04Å; W5-P325 HydrophobicContact CD2-CB 4.22Å; W5-P325 HydrophobicContact CD2-CG 3.8Å; W5-P325 HydrophobicContact CE3-CB 4.31Å; W5-P325 HydrophobicContact CE3-CG 4.35Å; W5-P325 HydrophobicContact CG-CG 4.09Å; W5-P325 HydrophobicContact CH2-CB 4.24Å; W5-P325 HydrophobicContact CZ2-CB 4.07Å; W5-P325 HydrophobicContact CZ2-CG 4.08Å; W5-P325 HydrophobicContact CZ3-CB 4.35Å; W5-Q330 HydrophobicContact CH2-CB 3.85Å; W5-Q330 HydrophobicContact CH2-CG 4.13Å; W5-Q330 HydrophobicContact CZ2-CB 3.83Å; W5-Q330 HydrophobicContact CZ2-CG 3.74Å; W5-L333 HydrophobicContact CE3-CD2 3.69Å; W5-L333 HydrophobicContact CE3-CG 4.25Å; W5-L333 HydrophobicContact CH2-CB 4.26Å; W5-L333 HydrophobicContact CH2-CD2 4.23Å; W5-L333 HydrophobicContact CH2-CG 4.47Å; W5-L333 HydrophobicContact CZ3-CB 3.87Å; W5-L333 HydrophobicContact CZ3-CD2 3.4Å; W5-L333 HydrophobicContact CZ3-CG 3.62Å; W5-R334 VanDerWaalsContact CE3-CZ 3.5Å; W5-R334 HydrophobicContact CH2-CG 3.95Å; W5-R334 HydrophobicContact CZ3-CG 4.27Å; W5-L337 HydrophobicContact CE3-CD1 4.44Å; W5-L337 HydrophobicContact CZ3-CD1 4.38Å; W5-F374 CarbonylContact C-O 3.59Å; W5-F374 WeakPolarHBondContact CA-O 3.39Å
6I97.9Very high91.6Very high0 Ų049.9 Ų49.90%024%0.241CC..EExtended strand (participates in β ladder)trans-97.1116164.5-53.7163.7000106.2F39 K300 V304 I321 L322 S373 F374 V376I6-F39 HydrophobicContact CD1-CD1 4.41Å; I6-F39 HydrophobicContact CD1-CD2 4.39Å; I6-F39 HydrophobicContact CD1-CE1 3.98Å; I6-F39 HydrophobicContact CD1-CE2 3.96Å; I6-F39 HydrophobicContact CD1-CZ 3.74Å; I6-F39 HydrophobicContact CG1-CD2 4.42Å; I6-F39 HydrophobicContact CG1-CE2 4.46Å; I6-F39 HydrophobicContact CG1-CG 4.49Å; I6-F39 HydrophobicContact CG2-CB 4.28Å; I6-F39 HydrophobicContact CG2-CD1 3.68Å; I6-F39 HydrophobicContact CG2-CE1 4.17Å; I6-F39 HydrophobicContact CG2-CG 3.97Å; I6-K300 HydrophobicContact CD1-CB 3.98Å; I6-K300 HydrophobicContact CD1-CD 4.38Å; I6-V304 HydrophobicContact CB-CG2 4.26Å; I6-V304 HydrophobicContact CG2-CG2 3.6Å; I6-I321 WeakPolarHBondContact CA-O 3.14Å; I6-L322 HydrophobicContact CG1-CD1 3.68Å; I6-S373 WeakPolarHBondContact O-CA 3.44Å; I6-F374 PolarHBondContact N-O 3.16Å; I6-F374 PolarHBondContact O-N 3.35Å; I6-V376 HydrophobicContact CD1-CG2 3.67Å; I6-V376 HydrophobicContact CG1-CG2 3.93Å
7I97.6Very high91.9Very high0 Ų054.1 Ų54.10%026%0.261CS..EExtended strand (participates in β ladder)trans-110154.6172.567164.7000110W5 L22 A320 I321 L323 L337 Y371 V372W5-I7 HydrophobicContact CB-CG2 4.48Å; I7-L22 HydrophobicContact CD1-CD2 3.73Å; I7-A320 CarbonylContact O-C 3.51Å; I7-A320 VanDerWaalsContact O-CA 3.3Å; I7-A320 WeakPolarHBondContact O-CA 3.46Å; I7-I321 HydrophobicContact CG1-CB 4.05Å; I7-I321 PolarHBondContact N-O 2.91Å; I7-I321 PolarHBondContact O-N 2.99Å; I7-L323 HydrophobicContact CD1-CD1 3.87Å; I7-L323 HydrophobicContact CG1-CD1 4.16Å; I7-L323 HydrophobicContact CG1-CG 4.48Å; I7-L323 HydrophobicContact CG2-CD1 4.29Å; I7-L337 HydrophobicContact CD1-CD2 3.96Å; I7-Y371 HydrophobicContact CB-CD2 4.05Å; I7-Y371 HydrophobicContact CB-CE2 4.3Å; I7-Y371 HydrophobicContact CG2-CD2 4.01Å; I7-Y371 HydrophobicContact CG2-CE2 3.76Å; I7-V372 CarbonylContact C-O 3.49Å; I7-V372 WeakPolarHBondContact CA-O 3.25Å
8S97.6Very high92Very high0 Ų051.2 Ų51.20%025%0.247CC..EExtended strand (participates in β ladder)trans-133.6143.4167-1770000110.5S308 Y312 F318 Q319 Y371 V372S8-S308 WeakPolarHBondContact CB-OG 3.37Å; S8-S308 PolarHBondContact OG-OG 3.04Å; S8-Y312 PolarHBondContact O-OH 2.86Å; S8-F318 WeakPolarHBondContact OG-CD2 3.34Å; S8-Q319 WeakPolarHBondContact CA-O 3.33Å; S8-Q319 PolarHBondContact OG-O 3.07Å; S8-Y371 WeakPolarHBondContact O-CB 3.4Å; S8-V372 PolarHBondContact N-O 2.93Å; S8-V372 PolarHBondContact O-N 2.92Å
9V97Very high92.3Very high1 Ų149.6 Ų49.61%0.00624%0.238CC..EExtended strand (participates in β ladder)trans-137.6156.8-179.1-68.50000109.2V18 F318 Q319 Y341 Y371V9-V18 HydrophobicContact CG2-CG1 3.47Å; V9-V18 VanDerWaalsContact CG2-CG1 3.47Å; V9-F318 CarbonylContact O-C 2.97Å; V9-F318 VanDerWaalsContact O-CA 3.28Å; V9-F318 WeakPolarHBondContact O-CA 3.1Å; V9-F318 WeakPolarHBondContact O-CB 3.49Å; V9-Q319 PolarHBondContact N-O 2.71Å; V9-Q319 PolarHBondContact O-N 3.2Å; V9-Y341 HydrophobicContact CB-CD1 4.4Å; V9-Y341 HydrophobicContact CB-CE1 4.01Å; V9-Y341 HydrophobicContact CG1-CD1 3.82Å; V9-Y341 HydrophobicContact CG1-CD2 4.08Å; V9-Y341 HydrophobicContact CG1-CE1 3.61Å; V9-Y341 HydrophobicContact CG1-CE2 3.91Å; V9-Y341 HydrophobicContact CG1-CG 4.05Å; V9-Y341 HydrophobicContact CG2-CE1 4.25Å; V9-Y371 HydrophobicContact CG1-CG 4.47Å
10P95.9Very high92.5Very high27 Ų2751.8 Ų51.818%0.17525%0.248CC..EExtended strand (participates in β ladder)trans-54.5143176.2-25.535000111.9E12 Y312 L344P10-E12 VanDerWaalsContact C-N 3.29Å; P10-E12 PolarHBondContact O-N 3.07Å; P10-Y312 HydrophobicContact CG-CD1 3.71Å; P10-Y312 HydrophobicContact CG-CE1 3.81Å; P10-Y312 HydrophobicContact CG-CG 4.09Å; P10-L344 HydrophobicContact CG-CD1 4.26Å; P10-L344 HydrophobicContact CG-CD2 3.75Å
11G93.5Very high92.6Very high0 Ų053.8 Ų53.80%025%0.253CS..  trans-76.2-16.5-178.700000113.6R13 D14 V18 D317G11-R13 PolarHBondContact O-N 2.95Å; G11-R13 VanDerWaalsContact O-N 3.15Å; G11-D14 CarbonylContact O-C 3.54Å; G11-D14 PolarHBondContact O-N 3.48Å; G11-V18 VanDerWaalsContact O-CG2 3.28Å; G11-V18 WeakPolarHBondContact O-CG2 3.23Å; G11-D317 WeakPolarHBondContact CA-OD1 3.09Å; G11-D317 PolarHBondContact N-O 3.07Å
12E90.6Very high94.2Very high83 Ų8346.1 Ų46.139%0.38822%0.215SC..THydrogen-bonded Turntrans52.633.7-179.6-62.5172.6-155.700112.1P10 D14 V18 R21 D317P10-E12 VanDerWaalsContact C-N 3.29Å; P10-E12 PolarHBondContact O-N 3.07Å; E12-D14 PolarHBondContact O-N 2.96Å; E12-D14 VanDerWaalsContact O-N 3.14Å; E12-V18 HydrophobicContact CB-CG2 4.02Å; E12-V18 HydrophobicContact CG-CG2 4.19Å; E12-R21 IonicContact OE1-CZ 3.58Å; E12-R21 IonicContact OE1-NH1 3.48Å; E12-R21 PolarHBondContact OE1-NH1 3.37Å; E12-R21 IonicContact OE1-NH2 2.72Å; E12-R21 PolarHBondContact OE1-NH2 2.85Å; E12-R21 IonicContact OE2-CZ 3.6Å; E12-R21 IonicContact OE2-NH1 2.86Å; E12-R21 PolarHBondContact OE2-NH1 3.49Å; E12-R21 IonicContact OE2-NH2 3.45Å; E12-R21 PolarHBondContact OE2-NH2 3.45Å; E12-D317 PolarHBondContact N-OD2 3.3Å
13R87.4Confident94.9Very high238 Ų23846.3 Ų46.390%0.89821%0.212SC*.THydrogen-bonded Turntrans67.2-10.7-171.4-48.3175.3179.4176.5-0.6116.1G11 D317G11-R13 PolarHBondContact O-N 2.95Å; G11-R13 VanDerWaalsContact O-N 3.15Å; R13-D317 PolarHBondContact N-OD2 3.37Å
14D93.4Very high95.2Very high65 Ų6548.4 Ų48.435%0.34823%0.227SC..  trans-13682.4171.6-171.6-8.2000111.4G11 E12 N16 Q17 V18G11-D14 CarbonylContact O-C 3.54Å; G11-D14 PolarHBondContact O-N 3.48Å; E12-D14 PolarHBondContact O-N 2.96Å; E12-D14 VanDerWaalsContact O-N 3.14Å; D14-N16 PolarHBondContact O-N 3.19Å; D14-N16 WeakPolarHBondContact OD1-CB 3.37Å; D14-N16 PolarHBondContact OD1-N 3.39Å; D14-N16 VanDerWaalsContact OD1-N 3.09Å; D14-Q17 HydrophobicContact CB-CB 3.91Å; D14-Q17 VanDerWaalsContact CG-CB 3.5Å; D14-Q17 PolarHBondContact O-N 3.4Å; D14-Q17 PolarHBondContact OD1-N 3.12Å; D14-Q17 VanDerWaalsContact OD1-N 3.08Å; D14-Q17 WeakPolarHBondContact OD2-CB 3.39Å; D14-V18 PolarHBondContact O-N 2.91Å; D14-V18 VanDerWaalsContact O-N 3.11Å
15P92.9Very high95.1Very high35 Ų3550 Ų5023%0.22724%0.237CC..Hα-helixtrans-53.3-30.9177.1-28.334.9000113.5V18 Y19 Q319P15-V18 PolarHBondContact O-N 3.23Å; P15-Y19 PolarHBondContact O-N 2.94Å; P15-Q319 HydrophobicContact CB-CB 4Å; P15-Q319 HydrophobicContact CB-CG 4.43Å; P15-Q319 VanDerWaalsContact CB-OE1 3.26Å; P15-Q319 WeakPolarHBondContact O-CG 3.4Å; P15-Q319 PolarHBondContact O-OE1 3.35Å
16N94.1Very high95.1Very high89 Ų8950 Ų5048%0.47624%0.237SC..Hα-helixtrans-69.8-42.9178.8-63-57.2000111.3D14 V18 Y19 Q20 K38D14-N16 PolarHBondContact O-N 3.19Å; D14-N16 WeakPolarHBondContact OD1-CB 3.37Å; D14-N16 PolarHBondContact OD1-N 3.39Å; D14-N16 VanDerWaalsContact OD1-N 3.09Å; N16-V18 VanDerWaalsContact C-N 3.35Å; N16-Y19 WeakPolarHBondContact O-CB 3.31Å; N16-Y19 PolarHBondContact O-N 3.24Å; N16-Q20 VanDerWaalsContact O-CG 3.28Å; N16-Q20 WeakPolarHBondContact O-CG 3.41Å; N16-Q20 PolarHBondContact O-N 2.91Å; N16-K38 PolarHBondContact OD1-NZ 3.04Å
17Q95.6Very high94.8Very high122 Ų12252.9 Ų52.957%0.5726%0.257SS*.Hα-helixtrans-63.7-41.4175.6-175.3178.463.600111.4D14 Y19 Q20 R21D14-Q17 HydrophobicContact CB-CB 3.91Å; D14-Q17 VanDerWaalsContact CG-CB 3.5Å; D14-Q17 PolarHBondContact O-N 3.4Å; D14-Q17 PolarHBondContact OD1-N 3.12Å; D14-Q17 VanDerWaalsContact OD1-N 3.08Å; D14-Q17 WeakPolarHBondContact OD2-CB 3.39Å; Q17-Y19 VanDerWaalsContact C-N 3.33Å; Q17-Y19 PolarHBondContact O-N 2.82Å; Q17-Q20 PolarHBondContact O-N 3.48Å; Q17-R21 WeakPolarHBondContact O-CB 3.31Å; Q17-R21 PolarHBondContact O-N 3.22Å
18V94.9Very high94.7Very high2 Ų260.3 Ų60.31%0.01229%0.289CS..Hα-helixtrans-59.6-44.4175.7175.60000111.2V9 G11 E12 D14 P15 N16 R21 L22V9-V18 HydrophobicContact CG2-CG1 3.47Å; V9-V18 VanDerWaalsContact CG2-CG1 3.47Å; G11-V18 VanDerWaalsContact O-CG2 3.28Å; G11-V18 WeakPolarHBondContact O-CG2 3.23Å; E12-V18 HydrophobicContact CB-CG2 4.02Å; E12-V18 HydrophobicContact CG-CG2 4.19Å; D14-V18 PolarHBondContact O-N 2.91Å; D14-V18 VanDerWaalsContact O-N 3.11Å; P15-V18 PolarHBondContact O-N 3.23Å; N16-V18 VanDerWaalsContact C-N 3.35Å; V18-R21 PolarHBondContact O-N 3.26Å; V18-L22 PolarHBondContact O-N 2.89Å; V18-L22 VanDerWaalsContact O-N 3.13Å
19Y96.6Very high94.4Very high20 Ų2064.2 Ų64.28%0.07831%0.305CS..Hα-helixtrans-59.8-48.9173170.2-100.2000112.3P15 N16 Q17 R21 L22 Q23 V36 K38 I321P15-Y19 PolarHBondContact O-N 2.94Å; N16-Y19 WeakPolarHBondContact O-CB 3.31Å; N16-Y19 PolarHBondContact O-N 3.24Å; Q17-Y19 VanDerWaalsContact C-N 3.33Å; Q17-Y19 PolarHBondContact O-N 2.82Å; Y19-R21 VanDerWaalsContact C-N 3.29Å; Y19-R21 PolarHBondContact O-N 3.26Å; Y19-L22 PolarHBondContact O-N 3.5Å; Y19-Q23 WeakPolarHBondContact O-CB 3.32Å; Y19-Q23 PolarHBondContact O-N 3.06Å; Y19-Q23 PolarHBondContact OH-NE2 3.3Å; Y19-Q23 VanDerWaalsContact OH-NE2 3.16Å; Y19-V36 HydrophobicContact CE2-CG1 4.13Å; Y19-V36 PolarHBondContact OH-O 2.92Å; Y19-V36 VanDerWaalsContact OH-O 3.08Å; Y19-K38 HydrophobicContact CD1-CD 4.32Å; Y19-K38 HydrophobicContact CD1-CG 4Å; Y19-K38 HydrophobicContact CD2-CG 3.55Å; Y19-K38 HydrophobicContact CE1-CG 4.03Å; Y19-K38 HydrophobicContact CE2-CB 4.43Å; Y19-K38 HydrophobicContact CE2-CG 3.57Å; Y19-K38 HydrophobicContact CG-CD 4.33Å; Y19-K38 HydrophobicContact CG-CG 3.76Å; Y19-I321 HydrophobicContact CD2-CD1 4Å; Y19-I321 HydrophobicContact CD2-CG1 4.03Å; Y19-I321 HydrophobicContact CD2-CG2 4.15Å; Y19-I321 HydrophobicContact CE2-CG2 4.18Å
20Q96.7Very high94.1Very high94 Ų9471.8 Ų71.844%0.43934%0.338SS..Hα-helixtrans-62.5-36.8-179.6-70.3-63-17.300112.1N16 Q17 Q23 T24N16-Q20 VanDerWaalsContact O-CG 3.28Å; N16-Q20 WeakPolarHBondContact O-CG 3.41Å; N16-Q20 PolarHBondContact O-N 2.91Å; Q17-Q20 PolarHBondContact O-N 3.48Å; Q20-Q23 PolarHBondContact O-N 2.81Å; Q20-T24 VanDerWaalsContact O-CB 3.25Å; Q20-T24 WeakPolarHBondContact O-CB 3.47Å; Q20-T24 PolarHBondContact O-N 3.4Å; Q20-T24 PolarHBondContact O-OG1 2.65Å
21R95.6Very high94Very high94 Ų9474.3 Ų74.336%0.35535%0.349SS..Hα-helixtrans-62.4-46175.5-175.4174.570-163.61.1111.5E12 Q17 V18 Y19 T25E12-R21 IonicContact OE1-CZ 3.58Å; E12-R21 IonicContact OE1-NH1 3.48Å; E12-R21 PolarHBondContact OE1-NH1 3.37Å; E12-R21 IonicContact OE1-NH2 2.72Å; E12-R21 PolarHBondContact OE1-NH2 2.85Å; E12-R21 IonicContact OE2-CZ 3.6Å; E12-R21 IonicContact OE2-NH1 2.86Å; E12-R21 PolarHBondContact OE2-NH1 3.49Å; E12-R21 IonicContact OE2-NH2 3.45Å; E12-R21 PolarHBondContact OE2-NH2 3.45Å; Q17-R21 WeakPolarHBondContact O-CB 3.31Å; Q17-R21 PolarHBondContact O-N 3.22Å; V18-R21 PolarHBondContact O-N 3.26Å; Y19-R21 VanDerWaalsContact C-N 3.29Å; Y19-R21 PolarHBondContact O-N 3.26Å; R21-T25 PolarHBondContact O-N 2.78Å; R21-T25 PolarHBondContact O-OG1 3.25Å
22L96.4Very high94Very high1 Ų174.3 Ų74.31%0.00535%0.349CS..Hα-helixtrans-66.9-46.8176.3-177.661.8000111.4I7 V18 Y19 T24 T25 L26 I321 L323 L337 L340 Y341I7-L22 HydrophobicContact CD1-CD2 3.73Å; V18-L22 PolarHBondContact O-N 2.89Å; V18-L22 VanDerWaalsContact O-N 3.13Å; Y19-L22 PolarHBondContact O-N 3.5Å; L22-T24 VanDerWaalsContact C-N 3.32Å; L22-T24 PolarHBondContact O-N 3.2Å; L22-T25 PolarHBondContact O-N 3.21Å; L22-T25 VanDerWaalsContact O-N 3.16Å; L22-L26 HydrophobicContact CD1-CD1 3.8Å; L22-L26 HydrophobicContact CD1-CG 3.9Å; L22-L26 HydrophobicContact CD2-CD1 4.44Å; L22-L26 HydrophobicContact CG-CD1 3.95Å; L22-L26 HydrophobicContact CG-CG 4.32Å; L22-L26 PolarHBondContact O-N 3.32Å; L22-I321 HydrophobicContact CB-CD1 4.3Å; L22-I321 HydrophobicContact CD2-CB 4.48Å; L22-I321 HydrophobicContact CD2-CD1 3.55Å; L22-I321 HydrophobicContact CD2-CG2 4.16Å; L22-L323 HydrophobicContact CD2-CD2 4.3Å; L22-L337 HydrophobicContact CD1-CD2 3.8Å; L22-L340 HydrophobicContact CD1-CD1 3.59Å; L22-Y341 HydrophobicContact CD1-CE2 4.29Å
23Q96Very high94.2Very high66 Ų6670.5 Ų70.531%0.30833%0.332SS..Hα-helixtrans-58.3-45178.9-170.5176.939.300111.2Y19 Q20 T25 L26 S27 V36Y19-Q23 WeakPolarHBondContact O-CB 3.32Å; Y19-Q23 PolarHBondContact O-N 3.06Å; Y19-Q23 PolarHBondContact OH-NE2 3.3Å; Y19-Q23 VanDerWaalsContact OH-NE2 3.16Å; Q20-Q23 PolarHBondContact O-N 2.81Å; Q23-T25 PolarHBondContact O-N 3.34Å; Q23-L26 PolarHBondContact O-N 2.98Å; Q23-S27 VanDerWaalsContact O-CB 3.25Å; Q23-S27 WeakPolarHBondContact O-CB 3.21Å; Q23-S27 PolarHBondContact O-N 3.02Å; Q23-V36 HydrophobicContact CB-CG1 4.21Å; Q23-V36 HydrophobicContact CG-CB 4.4Å; Q23-V36 HydrophobicContact CG-CG1 4.38Å
24T95.9Very high94.4Very high77 Ų7762.6 Ų62.647%0.47231%0.313SS..Hα-helixtrans-61.4-44.6175.9-60.80000111.2Q20 L22 S27Q20-T24 VanDerWaalsContact O-CB 3.25Å; Q20-T24 WeakPolarHBondContact O-CB 3.47Å; Q20-T24 PolarHBondContact O-N 3.4Å; Q20-T24 PolarHBondContact O-OG1 2.65Å; L22-T24 VanDerWaalsContact C-N 3.32Å; L22-T24 PolarHBondContact O-N 3.2Å; T24-S27 PolarHBondContact O-N 2.89Å; T24-S27 PolarHBondContact O-OG 2.86Å
25T95.1Very high94.4Very high33 Ų3363.1 Ų63.120%0.20231%0.314CS..Hα-helixtrans-62.8-49.5178.9-600000111.3R21 L22 Q23 S27 K28 Y29 I336 L340R21-T25 PolarHBondContact O-N 2.78Å; R21-T25 PolarHBondContact O-OG1 3.25Å; L22-T25 PolarHBondContact O-N 3.21Å; L22-T25 VanDerWaalsContact O-N 3.16Å; Q23-T25 PolarHBondContact O-N 3.34Å; T25-S27 VanDerWaalsContact C-N 3.32Å; T25-S27 PolarHBondContact O-N 3.3Å; T25-K28 WeakPolarHBondContact O-CB 3.44Å; T25-K28 PolarHBondContact O-N 2.83Å; T25-Y29 VanDerWaalsContact O-CD2 3.26Å; T25-Y29 WeakPolarHBondContact O-CD2 3.43Å; T25-I336 HydrophobicContact CG2-CG2 4.15Å; T25-L340 HydrophobicContact CG2-CD1 4.05Å; T25-L340 HydrophobicContact CG2-CD2 4.37Å
26L95.7Very high94.5Very high2 Ų262.2 Ų62.21%0.0131%0.308CS..Hα-helixtrans-73.4-21.3-178.9-65.6-176.7000113.2L22 Q23 K28 Y29 C33 V36 L323 L333 I336L22-L26 HydrophobicContact CD1-CD1 3.8Å; L22-L26 HydrophobicContact CD1-CG 3.9Å; L22-L26 HydrophobicContact CD2-CD1 4.44Å; L22-L26 HydrophobicContact CG-CD1 3.95Å; L22-L26 HydrophobicContact CG-CG 4.32Å; L22-L26 PolarHBondContact O-N 3.32Å; Q23-L26 PolarHBondContact O-N 2.98Å; L26-K28 PolarHBondContact O-N 3.04Å; L26-K28 VanDerWaalsContact O-N 3.16Å; L26-Y29 CarbonylContact O-C 3.54Å; L26-Y29 WeakPolarHBondContact O-CA 3.39Å; L26-Y29 PolarHBondContact O-N 3.14Å; L26-C33 HydrophobicContact CD1-CB 4.35Å; L26-V36 HydrophobicContact CB-CG2 3.92Å; L26-V36 HydrophobicContact CD1-CG2 3.76Å; L26-V36 HydrophobicContact CG-CG2 4.5Å; L26-L323 HydrophobicContact CD1-CD1 4.43Å; L26-L323 HydrophobicContact CD1-CD2 3.77Å; L26-L333 HydrophobicContact CD1-CD1 4.17Å; L26-L333 HydrophobicContact CD2-CD1 3.45Å; L26-L333 VanDerWaalsContact CD2-CD1 3.45Å; L26-L333 HydrophobicContact CG-CD1 4.49Å; L26-I336 HydrophobicContact CD2-CG2 3.97Å
27S93.6Very high94.6Very high61 Ų6160.2 Ų60.243%0.42730%0.297SS..Hα-helixtrans-60.9-24.1174.277.10000113.2Q23 T24 T25 Y29Q23-S27 VanDerWaalsContact O-CB 3.25Å; Q23-S27 WeakPolarHBondContact O-CB 3.21Å; Q23-S27 PolarHBondContact O-N 3.02Å; T24-S27 PolarHBondContact O-N 2.89Å; T24-S27 PolarHBondContact O-OG 2.86Å; T25-S27 VanDerWaalsContact C-N 3.32Å; T25-S27 PolarHBondContact O-N 3.3Å; S27-Y29 PolarHBondContact O-N 2.64Å
28K93.7Very high94.7Very high156 Ų15657.5 Ų57.568%0.67828%0.283SS*.THydrogen-bonded Turntrans-76-10.4173.8-57.6177.3-176.6176.80113T25 L26T25-K28 WeakPolarHBondContact O-CB 3.44Å; T25-K28 PolarHBondContact O-N 2.83Å; L26-K28 PolarHBondContact O-N 3.04Å; L26-K28 VanDerWaalsContact O-N 3.16Å
29Y92.4Very high94.8Very high82 Ų8257.6 Ų57.632%0.32228%0.283SS..THydrogen-bonded Turntrans-132.750.6-172.1-57.7-73000111.8T25 L26 S27 D31 I32 C33 I336T25-Y29 VanDerWaalsContact O-CD2 3.26Å; T25-Y29 WeakPolarHBondContact O-CD2 3.43Å; L26-Y29 CarbonylContact O-C 3.54Å; L26-Y29 WeakPolarHBondContact O-CA 3.39Å; L26-Y29 PolarHBondContact O-N 3.14Å; S27-Y29 PolarHBondContact O-N 2.64Å; Y29-D31 PolarHBondContact O-N 3.41Å; Y29-I32 HydrophobicContact CD1-CD1 3.56Å; Y29-I32 HydrophobicContact CE1-CD1 4.46Å; Y29-I32 HydrophobicContact CG-CD1 3.7Å; Y29-I32 WeakPolarHBondContact O-CA 3.39Å; Y29-I32 WeakPolarHBondContact O-CB 3.3Å; Y29-I32 PolarHBondContact O-N 3.14Å; Y29-C33 PolarHBondContact O-N 3.31Å; Y29-I336 HydrophobicContact CD1-CD1 4.23Å; Y29-I336 HydrophobicContact CD2-CD1 3.77Å; Y29-I336 HydrophobicContact CE1-CD1 4.38Å; Y29-I336 HydrophobicContact CE2-CD1 3.95Å; Y29-I336 HydrophobicContact CG-CD1 3.92Å
30K89.8Confident94.8Very high161 Ų16160.4 Ų60.470%0.730%0.3SS*.THydrogen-bonded Turntrans-61.4-24.3-178.7-66.3-172.3178.6-177.80113.8I32K30-I32 VanDerWaalsContact C-N 3.28Å
31D93.4Very high94.8Very high79 Ų7957 Ų5742%0.42228%0.284SS..THydrogen-bonded Turntrans-69.4-27.7172.762.7-46.7000112.3Y29 N326 Q329Y29-D31 PolarHBondContact O-N 3.41Å; D31-N326 WeakPolarHBondContact O-CB 3.46Å; D31-N326 PolarHBondContact O-ND2 3.05Å; D31-Q329 PolarHBondContact O-OE1 2.91Å; D31-Q329 PolarHBondContact OD2-NE2 3.12Å; D31-Q329 PolarHBondContact OD2-OE1 3.06Å; D31-Q329 VanDerWaalsContact OD2-OE1 3.11Å
32I94Very high94.8Very high0 Ų052.6 Ų52.60%027%0.268CS..THydrogen-bonded Turntrans-86.8-45.8-178.9-56.9177.6000111.6Y29 K30 N326 Q329 K332 L333 I336Y29-I32 HydrophobicContact CD1-CD1 3.56Å; Y29-I32 HydrophobicContact CE1-CD1 4.46Å; Y29-I32 HydrophobicContact CG-CD1 3.7Å; Y29-I32 WeakPolarHBondContact O-CA 3.39Å; Y29-I32 WeakPolarHBondContact O-CB 3.3Å; Y29-I32 PolarHBondContact O-N 3.14Å; K30-I32 VanDerWaalsContact C-N 3.28Å; I32-N326 WeakPolarHBondContact O-CB 3.2Å; I32-N326 PolarHBondContact O-N 2.83Å; I32-Q329 HydrophobicContact CB-CB 4.42Å; I32-Q329 HydrophobicContact CG1-CB 4.34Å; I32-Q329 HydrophobicContact CG2-CB 4.27Å; I32-K332 HydrophobicContact CD1-CB 4.29Å; I32-K332 HydrophobicContact CD1-CD 3.41Å; I32-K332 VanDerWaalsContact CD1-CD 3.41Å; I32-K332 VanDerWaalsContact CD1-CE 3.4Å; I32-K332 HydrophobicContact CD1-CG 3.71Å; I32-K332 HydrophobicContact CG1-CD 3.97Å; I32-L333 HydrophobicContact CG2-CB 3.5Å; I32-L333 VanDerWaalsContact CG2-CB 3.5Å; I32-L333 HydrophobicContact CG2-CD1 3.96Å; I32-L333 HydrophobicContact CG2-CG 4.16Å; I32-I336 HydrophobicContact CD1-CD1 3.43Å; I32-I336 VanDerWaalsContact CD1-CD1 3.43Å
33C94.3Very high94.5Very high4 Ų457.4 Ų57.43%0.02730%0.299CS..EExtended strand (participates in β ladder)trans-136112.5-177.1-165.10000108.8L26 Y29 Q35 L333L26-C33 HydrophobicContact CD1-CB 4.35Å; Y29-C33 PolarHBondContact O-N 3.31Å; C33-Q35 PolarHBondContact SG-O 3.25Å; C33-L333 HydrophobicContact CB-CD1 4.21Å; C33-L333 HydrophobicContact CB-CD2 4.11Å
34S92.7Very high94.3Very high71 Ų7158.7 Ų58.750%0.49731%0.308SS..EExtended strand (participates in β ladder)trans-79.9-32.3-172.559.10000112.6E324S34-E324 PolarHBondContact N-O 3.47Å; S34-E324 WeakPolarHBondContact OG-CB 3.3Å; S34-E324 VanDerWaalsContact OG-CG 3.27Å; S34-E324 WeakPolarHBondContact OG-CG 3.39Å; S34-E324 PolarHBondContact OG-O 3.46Å; S34-E324 VanDerWaalsContact OG-O 3.12Å; S34-E324 PolarHBondContact OG-OE2 3.29Å
35Q92.5Very high94.2Very high76 Ų7655.4 Ų55.436%0.35529%0.288SS..EExtended strand (participates in β ladder)trans-134.4145.4178-59.7-170.935.100111.6C33 T105 L323 E324C33-Q35 PolarHBondContact SG-O 3.25Å; Q35-T105 VanDerWaalsContact OE1-CG2 3.29Å; Q35-L323 WeakPolarHBondContact O-CA 3.33Å; Q35-E324 HydrophobicContact CB-CB 3.8Å; Q35-E324 HydrophobicContact CG-CB 4.27Å; Q35-E324 WeakPolarHBondContact CG-OE2 3.44Å; Q35-E324 PolarHBondContact NE2-OE2 2.97Å; Q35-E324 PolarHBondContact O-N 3.47Å
36V96.1Very high94.1Very high17 Ų1759.4 Ų59.410%0.10330%0.302CS..EExtended strand (participates in β ladder)trans-138.8110.7173.7-177.20000106.2Y19 Q23 L26 I321 L322 L323Y19-V36 HydrophobicContact CE2-CG1 4.13Å; Y19-V36 PolarHBondContact OH-O 2.92Å; Y19-V36 VanDerWaalsContact OH-O 3.08Å; Q23-V36 HydrophobicContact CB-CG1 4.21Å; Q23-V36 HydrophobicContact CG-CB 4.4Å; Q23-V36 HydrophobicContact CG-CG1 4.38Å; L26-V36 HydrophobicContact CB-CG2 3.92Å; L26-V36 HydrophobicContact CD1-CG2 3.76Å; L26-V36 HydrophobicContact CG-CG2 4.5Å; V36-I321 HydrophobicContact CG1-CG2 3.8Å; V36-L322 WeakPolarHBondContact CA-O 3.42Å; V36-L323 HydrophobicContact CB-CD2 4.21Å; V36-L323 HydrophobicContact CG1-CD2 3.81Å; V36-L323 HydrophobicContact CG2-CD2 3.89Å
37N96.6Very high93.9Very high47 Ų4760.5 Ų60.525%0.25131%0.309SS..EExtended strand (participates in β ladder)trans-129.8149.3-176-62.688.2000109.9F39 I321 L322N37-F39 PolarHBondContact O-N 3.17Å; N37-I321 CarbonylContact O-C 3.35Å; N37-I321 WeakPolarHBondContact O-CA 3.38Å; N37-I321 WeakPolarHBondContact O-CG2 3.17Å; N37-L322 HydrophobicContact CB-CB 4.42Å; N37-L322 PolarHBondContact N-O 3.28Å; N37-L322 PolarHBondContact O-N 3.19Å
38K96.7Very high93.8Very high64 Ų6460.1 Ų60.128%0.27832%0.315SS..EExtended strand (participates in β ladder)trans-65136167.6-68-175-177.4175.90109.3N16 Y19N16-K38 PolarHBondContact OD1-NZ 3.04Å; Y19-K38 HydrophobicContact CD1-CD 4.32Å; Y19-K38 HydrophobicContact CD1-CG 4Å; Y19-K38 HydrophobicContact CD2-CG 3.55Å; Y19-K38 HydrophobicContact CE1-CG 4.03Å; Y19-K38 HydrophobicContact CE2-CB 4.43Å; Y19-K38 HydrophobicContact CE2-CG 3.57Å; Y19-K38 HydrophobicContact CG-CD 4.33Å; Y19-K38 HydrophobicContact CG-CG 3.76Å
39F97.7Very high93.8Very high4 Ų456.2 Ų56.22%0.01830%0.304CS..  trans-102103.9170.3-171.3-104.8000108I6 N37 I41 L104 F107 V297 A301 A320 L322I6-F39 HydrophobicContact CD1-CD1 4.41Å; I6-F39 HydrophobicContact CD1-CD2 4.39Å; I6-F39 HydrophobicContact CD1-CE1 3.98Å; I6-F39 HydrophobicContact CD1-CE2 3.96Å; I6-F39 HydrophobicContact CD1-CZ 3.74Å; I6-F39 HydrophobicContact CG1-CD2 4.42Å; I6-F39 HydrophobicContact CG1-CE2 4.46Å; I6-F39 HydrophobicContact CG1-CG 4.49Å; I6-F39 HydrophobicContact CG2-CB 4.28Å; I6-F39 HydrophobicContact CG2-CD1 3.68Å; I6-F39 HydrophobicContact CG2-CE1 4.17Å; I6-F39 HydrophobicContact CG2-CG 3.97Å; N37-F39 PolarHBondContact O-N 3.17Å; F39-I41 HydrophobicContact CD1-CD1 3.86Å; F39-I41 HydrophobicContact CD1-CG1 3.69Å; F39-I41 HydrophobicContact CE1-CD1 4.05Å; F39-I41 HydrophobicContact CE1-CG1 3.87Å; F39-I41 PolarHBondContact O-N 3.18Å; F39-I41 VanDerWaalsContact O-N 3.13Å; F39-L104 HydrophobicContact CE2-CD1 4.09Å; F39-F107 HydrophobicContact CD2-CB 4.24Å; F39-F107 AromaticContact CD2-CD1 3.96Å; F39-F107 HydrophobicContact CD2-CD1 3.96Å; F39-F107 HydrophobicContact CD2-CG 4.39Å; F39-F107 HydrophobicContact CE1-CD1 4.17Å; F39-F107 HydrophobicContact CE1-CE1 4.14Å; F39-F107 HydrophobicContact CE2-CB 3.81Å; F39-F107 AromaticContact CE2-CD1 3.37Å; F39-F107 HydrophobicContact CE2-CD1 3.37Å; F39-F107 HydrophobicContact CE2-CE1 4.07Å; F39-F107 AromaticContact CE2-CG 3.65Å; F39-F107 HydrophobicContact CE2-CG 3.65Å; F39-F107 AromaticContact CZ-CD1 3.49Å; F39-F107 HydrophobicContact CZ-CD1 3.49Å; F39-F107 VanDerWaalsContact CZ-CD1 3.49Å; F39-F107 AromaticContact CZ-CE1 3.68Å; F39-F107 HydrophobicContact CZ-CE1 3.68Å; F39-F107 HydrophobicContact CZ-CG 4.06Å; F39-F107 HydrophobicContact CZ-CZ 4.37Å; F39-V297 HydrophobicContact CE2-CG1 3.94Å; F39-V297 HydrophobicContact CZ-CG1 3.89Å; F39-A301 HydrophobicContact CE1-CB 3.69Å; F39-A301 HydrophobicContact CZ-CB 4.04Å; F39-A320 HydrophobicContact CB-CB 4.18Å; F39-A320 HydrophobicContact CD1-CB 4.29Å; F39-A320 PolarHBondContact N-O 3.36Å; F39-A320 WeakPolarHBondContact O-CB 3.41Å; F39-L322 HydrophobicContact CB-CB 4.3Å
40N95.4Very high93.9Very high80 Ų8057.4 Ų57.443%0.42832%0.315SS..  trans-80100-166.6-62.6-42.6000111.2
41I96.7Very high94.1Very high22 Ų2256.1 Ų56.111%0.11332%0.316CS..  trans-100.7132.7173.7-58.7179.2000108.4F39 F45 A301 V304 F305 F318 A320F39-I41 HydrophobicContact CD1-CD1 3.86Å; F39-I41 HydrophobicContact CD1-CG1 3.69Å; F39-I41 HydrophobicContact CE1-CD1 4.05Å; F39-I41 HydrophobicContact CE1-CG1 3.87Å; F39-I41 PolarHBondContact O-N 3.18Å; F39-I41 VanDerWaalsContact O-N 3.13Å; I41-F45 HydrophobicContact CG2-CD2 4.31Å; I41-F45 HydrophobicContact CG2-CE2 3.83Å; I41-A301 HydrophobicContact CD1-CB 4.44Å; I41-A301 HydrophobicContact CG1-CB 4.15Å; I41-V304 HydrophobicContact CD1-CB 3.57Å; I41-V304 HydrophobicContact CD1-CG1 3.4Å; I41-V304 HydrophobicContact CD1-CG2 4.48Å; I41-F305 HydrophobicContact CG2-CB 4.06Å; I41-F305 HydrophobicContact CG2-CD2 4.03Å; I41-F305 HydrophobicContact CG2-CG 4.5Å; I41-F318 HydrophobicContact CD1-CE2 4.25Å; I41-F318 HydrophobicContact CG2-CZ 4.42Å; I41-A320 HydrophobicContact CD1-CB 3.67Å; I41-A320 HydrophobicContact CG1-CB 4.2Å
42P95.6Very high94.1Very high1 Ų156 Ų561%0.00632%0.315CS..  trans-57.2125.7175.2-24.932.8000112.2D44 F45 W109 Y111 V116P42-D44 VanDerWaalsContact C-N 3.27Å; P42-D44 WeakPolarHBondContact CB-OD1 3.4Å; P42-D44 PolarHBondContact O-N 3.05Å; P42-F45 HydrophobicContact CB-CD2 4.22Å; P42-F45 HydrophobicContact CB-CE1 4.37Å; P42-F45 HydrophobicContact CB-CE2 3.96Å; P42-F45 HydrophobicContact CB-CZ 4.02Å; P42-F45 HydrophobicContact CG-CE1 4.31Å; P42-F45 HydrophobicContact CG-CE2 3.93Å; P42-F45 HydrophobicContact CG-CZ 3.71Å; P42-F45 VanDerWaalsContact O-CD2 3.22Å; P42-F45 WeakPolarHBondContact O-CD2 3.28Å; P42-W109 HydrophobicContact CG-CB 3.6Å; P42-W109 HydrophobicContact CG-CD2 3.76Å; P42-W109 HydrophobicContact CG-CE3 4.35Å; P42-W109 HydrophobicContact CG-CG 3.37Å; P42-Y111 HydrophobicContact CG-CE1 4.3Å; P42-V116 HydrophobicContact CB-CG1 3.64Å; P42-V116 HydrophobicContact CG-CG1 3.75Å
43P90.5Very high94.2Very high103 Ų10356.2 Ų56.267%0.66932%0.316SS*.THydrogen-bonded Turntrans-77.3-16.2179.431.8-35.4000112.8
44D91.2Very high94.3Very high93 Ų9359.8 Ų59.850%0.49734%0.337SS..THydrogen-bonded Turntrans-95.912.3-170.563.8-37000114P42 K46 V116P42-D44 VanDerWaalsContact C-N 3.27Å; P42-D44 WeakPolarHBondContact CB-OD1 3.4Å; P42-D44 PolarHBondContact O-N 3.05Å; D44-K46 PolarHBondContact O-N 3.02Å; D44-V116 WeakPolarHBondContact OD2-CG2 3.4Å
45F94.8Very high94.5Very high8 Ų858 Ų584%0.03533%0.33CS..  trans-56.1139.2172.6-77.7-51.4000111.6I41 P42 V47 W109 V116 L120 L123 L302 F305I41-F45 HydrophobicContact CG2-CD2 4.31Å; I41-F45 HydrophobicContact CG2-CE2 3.83Å; P42-F45 HydrophobicContact CB-CD2 4.22Å; P42-F45 HydrophobicContact CB-CE1 4.37Å; P42-F45 HydrophobicContact CB-CE2 3.96Å; P42-F45 HydrophobicContact CB-CZ 4.02Å; P42-F45 HydrophobicContact CG-CE1 4.31Å; P42-F45 HydrophobicContact CG-CE2 3.93Å; P42-F45 HydrophobicContact CG-CZ 3.71Å; P42-F45 VanDerWaalsContact O-CD2 3.22Å; P42-F45 WeakPolarHBondContact O-CD2 3.28Å; F45-V47 PolarHBondContact O-N 3.48Å; F45-W109 AromaticContact CE1-CE2 3.9Å; F45-W109 HydrophobicContact CE1-CH2 4.13Å; F45-W109 AromaticContact CE1-CZ2 3.66Å; F45-W109 HydrophobicContact CE1-CZ2 3.66Å; F45-W109 AromaticContact CZ-CD2 3.89Å; F45-W109 HydrophobicContact CZ-CD2 3.89Å; F45-W109 AromaticContact CZ-CE2 3.63Å; F45-W109 AromaticContact CZ-CE3 3.93Å; F45-W109 HydrophobicContact CZ-CE3 3.93Å; F45-W109 AromaticContact CZ-CH2 3.57Å; F45-W109 HydrophobicContact CZ-CH2 3.57Å; F45-W109 AromaticContact CZ-CZ2 3.47Å; F45-W109 HydrophobicContact CZ-CZ2 3.47Å; F45-W109 VanDerWaalsContact CZ-CZ2 3.47Å; F45-W109 AromaticContact CZ-CZ3 3.78Å; F45-W109 HydrophobicContact CZ-CZ3 3.78Å; F45-V116 HydrophobicContact CD1-CB 4.19Å; F45-V116 HydrophobicContact CD1-CG1 4.11Å; F45-V116 HydrophobicContact CE1-CB 4.28Å; F45-V116 HydrophobicContact CE1-CG1 3.74Å; F45-V116 HydrophobicContact CZ-CG1 4.42Å; F45-L120 HydrophobicContact CB-CD2 4.04Å; F45-L120 HydrophobicContact CD1-CD2 4.16Å; F45-L120 HydrophobicContact CD2-CD2 4.43Å; F45-L120 HydrophobicContact CG-CD2 3.99Å; F45-L123 HydrophobicContact CD1-CD1 3.83Å; F45-L123 HydrophobicContact CE1-CD1 3.46Å; F45-L123 VanDerWaalsContact CE1-CD1 3.46Å; F45-L123 HydrophobicContact CZ-CD1 4.42Å; F45-L302 HydrophobicContact CE1-CD2 4.28Å; F45-L302 HydrophobicContact CE2-CD2 4.21Å; F45-L302 HydrophobicContact CZ-CD2 3.94Å; F45-F305 HydrophobicContact CB-CD1 4.42Å; F45-F305 HydrophobicContact CB-CD2 4.42Å; F45-F305 HydrophobicContact CB-CE1 3.87Å; F45-F305 HydrophobicContact CB-CE2 3.87Å; F45-F305 HydrophobicContact CB-CZ 3.57Å; F45-F305 HydrophobicContact CD2-CB 4.43Å; F45-F305 HydrophobicContact CD2-CD1 4.24Å; F45-F305 AromaticContact CD2-CD2 3.61Å; F45-F305 HydrophobicContact CD2-CD2 3.61Å; F45-F305 HydrophobicContact CD2-CE1 4.46Å; F45-F305 AromaticContact CD2-CE2 3.85Å; F45-F305 HydrophobicContact CD2-CE2 3.85Å; F45-F305 AromaticContact CD2-CG 3.82Å; F45-F305 HydrophobicContact CD2-CG 3.82Å; F45-F305 HydrophobicContact CD2-CZ 4.28Å; F45-F305 HydrophobicContact CE2-CD2 4.41Å; F45-F305 HydrophobicContact CE2-CG 4.5Å; F45-F305 HydrophobicContact CG-CE2 4.38Å; F45-F305 HydrophobicContact CG-CZ 4.44Å
46K92.6Very high94.7Very high117 Ų11754.6 Ų54.651%0.50931%0.314SS..BIsolated β-bridgetrans-70.698.2171.4-72-178173.7171.60110.3D44 G48 K117D44-K46 PolarHBondContact O-N 3.02Å; K46-G48 VanDerWaalsContact C-N 3.31Å; K46-G48 PolarHBondContact O-N 2.92Å; K46-K117 WeakPolarHBondContact CD-O 3.44Å; K46-K117 WeakPolarHBondContact CE-O 3.4Å; K46-K117 PolarHBondContact NZ-O 3.4Å
47V91.6Very high94.8Very high24 Ų2454.7 Ų54.715%0.14532%0.316CS..  trans-52.7-44.3-177.9179.70000112.8F45 L53 F305 V309 L314 V316F45-V47 PolarHBondContact O-N 3.48Å; V47-L53 HydrophobicContact CG1-CD1 3.68Å; V47-L53 HydrophobicContact CG1-CD2 4.24Å; V47-L53 HydrophobicContact CG1-CG 4.29Å; V47-L53 VanDerWaalsContact O-CD2 3.26Å; V47-L53 WeakPolarHBondContact O-CD2 3.37Å; V47-F305 HydrophobicContact CG2-CE1 4.23Å; V47-F305 HydrophobicContact CG2-CZ 3.95Å; V47-V309 HydrophobicContact CG1-CG1 3.87Å; V47-L314 HydrophobicContact CG1-CD2 4.26Å; V47-L314 HydrophobicContact CG2-CD2 4.12Å; V47-V316 HydrophobicContact CG2-CG2 3.83Å
48G92.1Very high94.8Very high54 Ų5457.3 Ų57.356%0.55733%0.33SS*.  trans79.8-159.2-171.700000112.3K46K46-G48 VanDerWaalsContact C-N 3.31Å; K46-G48 PolarHBondContact O-N 2.92Å
49T93.9Very high94.9Very high74 Ų7458.2 Ų58.245%0.45434%0.335SS..  trans-91.6162.4176.663.60000111.1D51 I52 L53T49-D51 VanDerWaalsContact C-N 3.29Å; T49-D51 PolarHBondContact O-N 3.11Å; T49-I52 PolarHBondContact O-N 3.09Å; T49-I52 VanDerWaalsContact O-N 3.17Å; T49-I52 WeakPolarHBondContact OG1-CD1 3.44Å; T49-I52 WeakPolarHBondContact OG1-CG1 3.46Å; T49-I52 PolarHBondContact OG1-N 3.02Å; T49-L53 PolarHBondContact O-N 2.73Å; T49-L53 VanDerWaalsContact O-N 3.1Å
50L92.7Very high94.9Very high107 Ų10758.2 Ų58.256%0.5634%0.335SS*.Hα-helixtrans-56.7-43176.5-176.262.7000111.9I52 L53 V54 L310L50-I52 VanDerWaalsContact C-N 3.29Å; L50-I52 PolarHBondContact O-N 2.97Å; L50-L53 WeakPolarHBondContact O-CB 3.17Å; L50-L53 PolarHBondContact O-N 3.02Å; L50-L53 VanDerWaalsContact O-N 3.11Å; L50-V54 HydrophobicContact CD1-CG2 4.47Å; L50-V54 WeakPolarHBondContact O-CG2 3.43Å; L50-V54 PolarHBondContact O-N 3.31Å; L50-L310 HydrophobicContact CD1-CD2 3.5Å
51D94.1Very high95Very high134 Ų13456.5 Ų56.572%0.71733%0.33SS*.Hα-helixtrans-58.6-40.7178.1-54.2-56.8000112.3T49 G55T49-D51 VanDerWaalsContact C-N 3.29Å; T49-D51 PolarHBondContact O-N 3.11Å; D51-G55 PolarHBondContact O-N 3.03Å; D51-G55 VanDerWaalsContact O-N 3.16Å
52I94.7Very high95.1Very high77 Ų7762.5 Ų62.540%0.39536%0.355SS..Hα-helixtrans-66.1-42.2177.2-68.7169000110.3T49 L50 G55 L56T49-I52 PolarHBondContact O-N 3.09Å; T49-I52 VanDerWaalsContact O-N 3.17Å; T49-I52 WeakPolarHBondContact OG1-CD1 3.44Å; T49-I52 WeakPolarHBondContact OG1-CG1 3.46Å; T49-I52 PolarHBondContact OG1-N 3.02Å; L50-I52 VanDerWaalsContact C-N 3.29Å; L50-I52 PolarHBondContact O-N 2.97Å; I52-G55 PolarHBondContact O-N 2.98Å; I52-L56 HydrophobicContact CG2-CD1 3.67Å; I52-L56 HydrophobicContact CG2-CG 4.18Å; I52-L56 VanDerWaalsContact O-CB 3.29Å; I52-L56 WeakPolarHBondContact O-CB 3.37Å; I52-L56 VanDerWaalsContact O-CG 3.25Å; I52-L56 WeakPolarHBondContact O-CG 3.35Å; I52-L56 PolarHBondContact O-N 2.81Å
53L96.3Very high95.2Very high4 Ų462.7 Ų62.72%0.02136%0.356CS..Hα-helixtrans-64.7-42.1179.4-68.9177.3000112.5V47 T49 L50 L56 S57 L120 V306 V309 L310V47-L53 HydrophobicContact CG1-CD1 3.68Å; V47-L53 HydrophobicContact CG1-CD2 4.24Å; V47-L53 HydrophobicContact CG1-CG 4.29Å; V47-L53 VanDerWaalsContact O-CD2 3.26Å; V47-L53 WeakPolarHBondContact O-CD2 3.37Å; T49-L53 PolarHBondContact O-N 2.73Å; T49-L53 VanDerWaalsContact O-N 3.1Å; L50-L53 WeakPolarHBondContact O-CB 3.17Å; L50-L53 PolarHBondContact O-N 3.02Å; L50-L53 VanDerWaalsContact O-N 3.11Å; L53-L56 PolarHBondContact O-N 2.76Å; L53-S57 PolarHBondContact O-N 2.81Å; L53-L120 HydrophobicContact CD2-CD1 3.77Å; L53-V306 HydrophobicContact CB-CG1 4.37Å; L53-V306 HydrophobicContact CD2-CG1 4.28Å; L53-V306 HydrophobicContact CD2-CG2 4.14Å; L53-V306 WeakPolarHBondContact O-CG1 3.46Å; L53-V309 HydrophobicContact CD1-CB 4.27Å; L53-V309 HydrophobicContact CD1-CG1 3.59Å; L53-L310 HydrophobicContact CB-CD1 4.46Å; L53-L310 HydrophobicContact CB-CD2 3.75Å; L53-L310 HydrophobicContact CB-CG 4.15Å; L53-L310 HydrophobicContact CD1-CD2 4.25Å
54V96.2Very high95.6Very high79 Ų7958 Ų5848%0.47933%0.326SS..Hα-helixtrans-61.6-48.3177.6173.70000110.1L50 L56 S57 L310L50-V54 HydrophobicContact CD1-CG2 4.47Å; L50-V54 WeakPolarHBondContact O-CG2 3.43Å; L50-V54 PolarHBondContact O-N 3.31Å; V54-L56 PolarHBondContact O-N 3.36Å; V54-S57 PolarHBondContact O-N 2.82Å; V54-L310 HydrophobicContact CG2-CD2 4.01Å
55G96.6Very high95.8Very high34 Ų3458.2 Ų58.235%0.35133%0.33SS..Hα-helixtrans-61.5-41.9175.500000113D51 I52 S57 D58 E59D51-G55 PolarHBondContact O-N 3.03Å; D51-G55 VanDerWaalsContact O-N 3.16Å; I52-G55 PolarHBondContact O-N 2.98Å; G55-S57 VanDerWaalsContact C-N 3.35Å; G55-S57 PolarHBondContact O-N 2.79Å; G55-D58 PolarHBondContact O-N 2.88Å; G55-E59 WeakPolarHBondContact O-CG 3.2Å; G55-E59 PolarHBondContact O-N 3Å; G55-E59 VanDerWaalsContact O-N 3.15Å
56L97.3Very high96Very high3 Ų361.2 Ų61.22%0.01634%0.341CS..Hα-helixtrans-66.6-31.6178.3-78.8175000113.4I52 L53 V54 D58 E59 L60 L120I52-L56 HydrophobicContact CG2-CD1 3.67Å; I52-L56 HydrophobicContact CG2-CG 4.18Å; I52-L56 VanDerWaalsContact O-CB 3.29Å; I52-L56 WeakPolarHBondContact O-CB 3.37Å; I52-L56 VanDerWaalsContact O-CG 3.25Å; I52-L56 WeakPolarHBondContact O-CG 3.35Å; I52-L56 PolarHBondContact O-N 2.81Å; L53-L56 PolarHBondContact O-N 2.76Å; V54-L56 PolarHBondContact O-N 3.36Å; L56-D58 VanDerWaalsContact C-N 3.35Å; L56-E59 PolarHBondContact O-N 2.87Å; L56-L60 HydrophobicContact CB-CD1 4.42Å; L56-L60 WeakPolarHBondContact O-CB 3.13Å; L56-L60 WeakPolarHBondContact O-CD1 3.3Å; L56-L60 WeakPolarHBondContact O-CG 3.47Å; L56-L60 PolarHBondContact O-N 2.88Å; L56-L120 HydrophobicContact CD1-CB 3.52Å; L56-L120 HydrophobicContact CD1-CD1 4.36Å
57S97.5Very high96.2Very high20 Ų2055.6 Ų55.614%0.1432%0.317CS..Hα-helixtrans-58.5-48.5175.9168.90000110.9L53 V54 G55 S61 E307L53-S57 PolarHBondContact O-N 2.81Å; V54-S57 PolarHBondContact O-N 2.82Å; G55-S57 VanDerWaalsContact C-N 3.35Å; G55-S57 PolarHBondContact O-N 2.79Å; S57-S61 WeakPolarHBondContact O-CB 3.35Å; S57-S61 PolarHBondContact O-N 2.67Å; S57-E307 PolarHBondContact OG-OE1 3.26Å
58D96.9Very high96.5Very high102 Ų10256.5 Ų56.555%0.54532%0.319SS..Hα-helixtrans-65.5-43.8178.4-77-25.8000112.3G55 L56 S61 K62G55-D58 PolarHBondContact O-N 2.88Å; L56-D58 VanDerWaalsContact C-N 3.35Å; D58-S61 WeakPolarHBondContact O-CB 3.33Å; D58-S61 PolarHBondContact O-N 3.24Å; D58-K62 WeakPolarHBondContact O-CG 3.18Å; D58-K62 PolarHBondContact O-N 3.28Å
59E98Very high96.7Very high83 Ų8356.3 Ų56.339%0.38831%0.309SS..Hα-helixtrans-65.2-44.7178.8-71.1-173.7150.100112.1G55 L56 S61 K62 L63 Y124G55-E59 WeakPolarHBondContact O-CG 3.2Å; G55-E59 PolarHBondContact O-N 3Å; G55-E59 VanDerWaalsContact O-N 3.15Å; L56-E59 PolarHBondContact O-N 2.87Å; E59-S61 VanDerWaalsContact C-N 3.29Å; E59-S61 PolarHBondContact O-N 2.75Å; E59-K62 PolarHBondContact O-N 3.14Å; E59-L63 WeakPolarHBondContact O-CB 3.47Å; E59-L63 PolarHBondContact O-N 3.16Å; E59-Y124 HydrophobicContact CB-CD2 4.42Å; E59-Y124 HydrophobicContact CB-CE2 3.77Å
60L98.4Very high96.8Very high3 Ų352.8 Ų52.82%0.01629%0.288CS..Hα-helixtrans-65.2-33.6176.6-73166.6000111.8L56 L63 D64 Y124 I299 L302 R303 V306L56-L60 HydrophobicContact CB-CD1 4.42Å; L56-L60 WeakPolarHBondContact O-CB 3.13Å; L56-L60 WeakPolarHBondContact O-CD1 3.3Å; L56-L60 WeakPolarHBondContact O-CG 3.47Å; L56-L60 PolarHBondContact O-N 2.88Å; L60-L63 PolarHBondContact O-N 3.29Å; L60-D64 VanDerWaalsContact O-CB 3.32Å; L60-D64 WeakPolarHBondContact O-CB 3.36Å; L60-D64 PolarHBondContact O-N 3.42Å; L60-Y124 HydrophobicContact CD2-CD2 3.93Å; L60-Y124 HydrophobicContact CG-CD2 4.36Å; L60-I299 HydrophobicContact CD2-CG2 4.32Å; L60-L302 HydrophobicContact CD1-CB 4.02Å; L60-L302 HydrophobicContact CD2-CB 3.91Å; L60-L302 HydrophobicContact CD2-CD1 4.11Å; L60-R303 HydrophobicContact CB-CG 3.64Å; L60-R303 HydrophobicContact CD1-CG 4.48Å; L60-V306 HydrophobicContact CD1-CB 4.37Å; L60-V306 HydrophobicContact CD1-CG2 3.8Å
61S97.5Very high97.1Very high45 Ų4547.7 Ų47.732%0.31526%0.261SS..Hα-helixtrans-61.3-46.2173.5-170.10000111.6S57 D58 E59 D64 V65 R303S57-S61 WeakPolarHBondContact O-CB 3.35Å; S57-S61 PolarHBondContact O-N 2.67Å; D58-S61 WeakPolarHBondContact O-CB 3.33Å; D58-S61 PolarHBondContact O-N 3.24Å; E59-S61 VanDerWaalsContact C-N 3.29Å; E59-S61 PolarHBondContact O-N 2.75Å; S61-D64 PolarHBondContact O-N 2.82Å; S61-V65 PolarHBondContact O-N 3.47Å; S61-R303 PolarHBondContact OG-NH2 3.25Å
62K98.1Very high97.2Very high147 Ų14744.5 Ų44.564%0.63924%0.241SC*.Hα-helixtrans-64.5-43.2175.2-66.8169.1-173166.70111.6D58 E59 D64 V65 Y66D58-K62 WeakPolarHBondContact O-CG 3.18Å; D58-K62 PolarHBondContact O-N 3.28Å; E59-K62 PolarHBondContact O-N 3.14Å; K62-D64 VanDerWaalsContact C-N 3.33Å; K62-D64 PolarHBondContact O-N 3.43Å; K62-V65 PolarHBondContact O-N 3.07Å; K62-Y66 WeakPolarHBondContact O-CB 3.37Å; K62-Y66 PolarHBondContact O-N 2.79Å
63L98.3Very high97.3Very high5 Ų544.6 Ų44.63%0.02624%0.239CC..Hα-helixtrans-66.2-34.8-179.9-177.761000112.2E59 L60 Y66 A67 Y124 L131 I299E59-L63 WeakPolarHBondContact O-CB 3.47Å; E59-L63 PolarHBondContact O-N 3.16Å; L60-L63 PolarHBondContact O-N 3.29Å; L63-Y66 HydrophobicContact CD1-CD1 4.09Å; L63-Y66 PolarHBondContact O-N 2.86Å; L63-A67 WeakPolarHBondContact O-CB 3.14Å; L63-A67 PolarHBondContact O-N 2.77Å; L63-Y124 HydrophobicContact CB-CD2 4.36Å; L63-Y124 HydrophobicContact CB-CE2 3.71Å; L63-Y124 HydrophobicContact CD2-CD2 3.42Å; L63-Y124 VanDerWaalsContact CD2-CD2 3.42Å; L63-Y124 HydrophobicContact CD2-CE2 3.49Å; L63-Y124 VanDerWaalsContact CD2-CE2 3.49Å; L63-Y124 HydrophobicContact CD2-CG 4.3Å; L63-Y124 HydrophobicContact CG-CD2 4.49Å; L63-Y124 HydrophobicContact CG-CE2 4.13Å; L63-L131 HydrophobicContact CD1-CD1 3.95Å; L63-I299 HydrophobicContact CD1-CD1 4.37Å; L63-I299 HydrophobicContact CD2-CD1 3.95Å; L63-I299 HydrophobicContact CD2-CG1 3.95Å; L63-I299 HydrophobicContact CG-CD1 3.67Å; L63-I299 HydrophobicContact CG-CG1 4.13Å
64D98.1Very high97.4Very high6 Ų644.4 Ų44.43%0.03224%0.238CC..Hα-helixtrans-63.4-47.3175.8-170.639.4000111.6L60 S61 K62 Y66 A67 E68 I299 K300 R303L60-D64 VanDerWaalsContact O-CB 3.32Å; L60-D64 WeakPolarHBondContact O-CB 3.36Å; L60-D64 PolarHBondContact O-N 3.42Å; S61-D64 PolarHBondContact O-N 2.82Å; K62-D64 VanDerWaalsContact C-N 3.33Å; K62-D64 PolarHBondContact O-N 3.43Å; D64-Y66 VanDerWaalsContact C-N 3.28Å; D64-Y66 PolarHBondContact O-N 2.95Å; D64-A67 PolarHBondContact O-N 3.21Å; D64-E68 WeakPolarHBondContact O-CG 3.43Å; D64-E68 PolarHBondContact O-N 2.81Å; D64-I299 HydrophobicContact CB-CG2 3.79Å; D64-K300 WeakPolarHBondContact OD1-CG 3.36Å; D64-K300 IonicContact OD1-NZ 3.99Å; D64-K300 PolarHBondContact OD1-NZ 3.33Å; D64-K300 IonicContact OD2-NZ 2.66Å; D64-K300 PolarHBondContact OD2-NZ 2.66Å; D64-R303 IonicContact OD2-CZ 3.28Å; D64-R303 IonicContact OD2-NH1 3.25Å; D64-R303 PolarHBondContact OD2-NH1 3.41Å
65V96.8Very high97.4Very high96 Ų9640.7 Ų40.758%0.58222%0.215SC*.Hα-helixtrans-60.6-40.9174.6176.30000111S61 K62 S69S61-V65 PolarHBondContact O-N 3.47Å; K62-V65 PolarHBondContact O-N 3.07Å; V65-S69 WeakPolarHBondContact O-CB 3.17Å; V65-S69 PolarHBondContact O-N 2.75Å
66Y98Very high97.3Very high71 Ų7141.8 Ų41.828%0.27821%0.211SC..Hα-helixtrans-65.1-43.5177.1-177-125.6000112.4K62 L63 D64 S69 I70 L131K62-Y66 WeakPolarHBondContact O-CB 3.37Å; K62-Y66 PolarHBondContact O-N 2.79Å; L63-Y66 HydrophobicContact CD1-CD1 4.09Å; L63-Y66 PolarHBondContact O-N 2.86Å; D64-Y66 VanDerWaalsContact C-N 3.28Å; D64-Y66 PolarHBondContact O-N 2.95Å; Y66-S69 WeakPolarHBondContact O-CB 3.21Å; Y66-S69 PolarHBondContact O-N 2.92Å; Y66-I70 HydrophobicContact CD1-CD1 3.78Å; Y66-I70 HydrophobicContact CD2-CD1 4.1Å; Y66-I70 HydrophobicContact CD2-CG1 4.38Å; Y66-I70 HydrophobicContact CE1-CD1 3.39Å; Y66-I70 HydrophobicContact CE2-CD1 3.71Å; Y66-I70 HydrophobicContact CE2-CG1 4.07Å; Y66-I70 HydrophobicContact CG-CD1 4.13Å; Y66-I70 WeakPolarHBondContact O-CG1 3.29Å; Y66-I70 PolarHBondContact O-N 2.96Å; Y66-L131 HydrophobicContact CE1-CB 4.32Å
67A98Very high97.3Very high0 Ų042.7 Ų42.70%021%0.214CC..Hα-helixtrans-62.9-42.7177.400000112.2L63 D64 S69 I70 T71 L131 M296 I299L63-A67 WeakPolarHBondContact O-CB 3.14Å; L63-A67 PolarHBondContact O-N 2.77Å; D64-A67 PolarHBondContact O-N 3.21Å; A67-S69 VanDerWaalsContact C-N 3.35Å; A67-I70 PolarHBondContact O-N 3.14Å; A67-T71 WeakPolarHBondContact O-CB 3.37Å; A67-T71 PolarHBondContact O-N 2.79Å; A67-T71 PolarHBondContact O-OG1 3.11Å; A67-L131 HydrophobicContact CB-CD1 3.49Å; A67-L131 VanDerWaalsContact CB-CD1 3.49Å; A67-L131 HydrophobicContact CB-CD2 4.27Å; A67-M296 HydrophobicContact CB-CB 4Å; A67-M296 HydrophobicContact CB-CG 4.17Å; A67-I299 HydrophobicContact CB-CD1 3.51Å
68E96.3Very high97.3Very high42 Ų4241.7 Ų41.720%0.19621%0.208CC..Hα-helixtrans-59.8-45.4172.9-76.9-176.2-17100111.3D64 I70 T71 K72 M296 K300D64-E68 WeakPolarHBondContact O-CG 3.43Å; D64-E68 PolarHBondContact O-N 2.81Å; E68-I70 PolarHBondContact O-N 3.17Å; E68-T71 PolarHBondContact O-N 3.01Å; E68-K72 WeakPolarHBondContact O-CB 3.36Å; E68-K72 WeakPolarHBondContact O-CG 3.49Å; E68-K72 PolarHBondContact O-N 3.14Å; E68-M296 HydrophobicContact CB-SD 4.4Å; E68-M296 HydrophobicContact CG-CG 4.08Å; E68-M296 HydrophobicContact CG-SD 3.56Å; E68-M296 VanDerWaalsContact CG-SD 3.56Å; E68-K300 IonicContact OE1-NZ 2.79Å; E68-K300 PolarHBondContact OE1-NZ 2.9Å
69S96.4Very high97.2Very high50 Ų5036.9 Ų36.935%0.3518%0.182SC..Hα-helixtrans-59.3-46.8177.5-176.50000112V65 Y66 A67 K72 K73V65-S69 WeakPolarHBondContact O-CB 3.17Å; V65-S69 PolarHBondContact O-N 2.75Å; Y66-S69 WeakPolarHBondContact O-CB 3.21Å; Y66-S69 PolarHBondContact O-N 2.92Å; A67-S69 VanDerWaalsContact C-N 3.35Å; S69-K72 PolarHBondContact O-N 2.64Å; S69-K73 WeakPolarHBondContact O-CB 3.47Å; S69-K73 VanDerWaalsContact O-CG 3.27Å; S69-K73 WeakPolarHBondContact O-CG 3.01Å; S69-K73 PolarHBondContact O-N 3.21Å
70I97.6Very high97Very high0 Ų036.4 Ų36.40%018%0.182CC..Hα-helixtrans-64.3-46.6179.1-67.4165.1000110.7Y66 A67 E68 K72 K73 V74 L131 V134 D135 A292Y66-I70 HydrophobicContact CD1-CD1 3.78Å; Y66-I70 HydrophobicContact CD2-CD1 4.1Å; Y66-I70 HydrophobicContact CD2-CG1 4.38Å; Y66-I70 HydrophobicContact CE1-CD1 3.39Å; Y66-I70 HydrophobicContact CE2-CD1 3.71Å; Y66-I70 HydrophobicContact CE2-CG1 4.07Å; Y66-I70 HydrophobicContact CG-CD1 4.13Å; Y66-I70 WeakPolarHBondContact O-CG1 3.29Å; Y66-I70 PolarHBondContact O-N 2.96Å; A67-I70 PolarHBondContact O-N 3.14Å; E68-I70 PolarHBondContact O-N 3.17Å; I70-K72 VanDerWaalsContact C-N 3.32Å; I70-K72 PolarHBondContact O-N 3.15Å; I70-K73 WeakPolarHBondContact O-CB 3.23Å; I70-K73 PolarHBondContact O-N 3.14Å; I70-V74 HydrophobicContact CG2-CG2 4.37Å; I70-V74 WeakPolarHBondContact O-CG2 3.4Å; I70-V74 PolarHBondContact O-N 3.19Å; I70-L131 HydrophobicContact CD1-CB 3.71Å; I70-L131 HydrophobicContact CD1-CD2 4.21Å; I70-L131 HydrophobicContact CD1-CG 4.47Å; I70-L131 WeakPolarHBondContact CD1-O 3.4Å; I70-L131 HydrophobicContact CG2-CD2 4.48Å; I70-V134 HydrophobicContact CG2-CB 4.26Å; I70-V134 HydrophobicContact CG2-CG1 3.78Å; I70-D135 HydrophobicContact CD1-CB 4.09Å; I70-D135 HydrophobicContact CG1-CB 4.06Å; I70-A292 HydrophobicContact CG2-CB 4.33Å
71T97.5Very high96.8Very high0 Ų036.5 Ų36.50%018%0.183CC..Hα-helixtrans-59.8-44.2-179.6-53.70000111A67 E68 V74 A75 F289 A292 F293 M380A67-T71 WeakPolarHBondContact O-CB 3.37Å; A67-T71 PolarHBondContact O-N 2.79Å; A67-T71 PolarHBondContact O-OG1 3.11Å; E68-T71 PolarHBondContact O-N 3.01Å; T71-V74 PolarHBondContact O-N 3.08Å; T71-A75 PolarHBondContact O-N 3.5Å; T71-F289 HydrophobicContact CG2-CD2 4.06Å; T71-F289 HydrophobicContact CG2-CE2 3.74Å; T71-A292 PolarHBondContact OG1-O 3.18Å; T71-F293 HydrophobicContact CG2-CB 3.94Å; T71-F293 HydrophobicContact CG2-CD2 4.12Å; T71-M380 HydrophobicContact CG2-CE 4.33Å; T71-M380 HydrophobicContact CG2-SD 3.66Å
72K96.4Very high96.6Very high68 Ų6834.9 Ų34.930%0.29617%0.17SC..Hα-helixtrans-62.7-43.9174.3-74.4176.51771760112.2E68 S69 I70 V74 A75 Q76 E377 N379 M380E68-K72 WeakPolarHBondContact O-CB 3.36Å; E68-K72 WeakPolarHBondContact O-CG 3.49Å; E68-K72 PolarHBondContact O-N 3.14Å; S69-K72 PolarHBondContact O-N 2.64Å; I70-K72 VanDerWaalsContact C-N 3.32Å; I70-K72 PolarHBondContact O-N 3.15Å; K72-V74 PolarHBondContact O-N 3.13Å; K72-A75 PolarHBondContact O-N 2.98Å; K72-Q76 VanDerWaalsContact O-CB 3.27Å; K72-Q76 WeakPolarHBondContact O-CB 3.43Å; K72-Q76 PolarHBondContact O-N 2.87Å; K72-E377 IonicContact NZ-OE2 2.67Å; K72-N379 WeakPolarHBondContact CE-O 3.23Å; K72-M380 HydrophobicContact CG-SD 4.24Å
73K97Very high96.3Very high79 Ų7931.5 Ų31.534%0.34316%0.157SC..Hα-helixtrans-59.4-44176.2-75.2168.7-178.4167.60112.3S69 I70 Y77 D135 L138S69-K73 WeakPolarHBondContact O-CB 3.47Å; S69-K73 VanDerWaalsContact O-CG 3.27Å; S69-K73 WeakPolarHBondContact O-CG 3.01Å; S69-K73 PolarHBondContact O-N 3.21Å; I70-K73 WeakPolarHBondContact O-CB 3.23Å; I70-K73 PolarHBondContact O-N 3.14Å; K73-Y77 WeakPolarHBondContact O-CB 3.46Å; K73-Y77 PolarHBondContact O-N 3.03Å; K73-D135 IonicContact NZ-OD1 2.89Å; K73-D135 PolarHBondContact NZ-OD1 3.28Å; K73-L138 HydrophobicContact CB-CD2 3.84Å
74V97.8Very high95.9Very high0 Ų040 Ų400%020%0.196CC..Hα-helixtrans-64-46.5178.51780000110.4I70 T71 K72 Y77 M78 V134 L138 L285 F289I70-V74 HydrophobicContact CG2-CG2 4.37Å; I70-V74 WeakPolarHBondContact O-CG2 3.4Å; I70-V74 PolarHBondContact O-N 3.19Å; T71-V74 PolarHBondContact O-N 3.08Å; K72-V74 PolarHBondContact O-N 3.13Å; V74-Y77 PolarHBondContact O-N 2.87Å; V74-M78 WeakPolarHBondContact O-CB 3.45Å; V74-M78 PolarHBondContact O-N 2.9Å; V74-V134 HydrophobicContact CG2-CG1 3.91Å; V74-L138 HydrophobicContact CG2-CD2 3.92Å; V74-L285 HydrophobicContact CG1-CD2 4.13Å; V74-F289 HydrophobicContact CG1-CB 3.83Å
75A96.4Very high95.5Very high0 Ų044.2 Ų44.20%022%0.216CC..Hα-helixtrans-62.5-45.6178.300000112.2T71 K72 M78 G79 L93 F289 M380T71-A75 PolarHBondContact O-N 3.5Å; K72-A75 PolarHBondContact O-N 2.98Å; A75-M78 WeakPolarHBondContact O-CB 3.45Å; A75-M78 PolarHBondContact O-N 2.7Å; A75-G79 PolarHBondContact O-N 2.68Å; A75-L93 HydrophobicContact CB-CD1 4.17Å; A75-L93 HydrophobicContact CB-CD2 3.78Å; A75-F289 HydrophobicContact CB-CD2 4.02Å; A75-F289 HydrophobicContact CB-CE2 3.97Å; A75-M380 HydrophobicContact CB-CB 3.8Å
76Q95.3Very high95.2Very high57 Ų5743.9 Ų43.927%0.26621%0.207SC..Hα-helixtrans-59.5-49.7177.5-178.559.943.700111.2K72 M78 G79 D80K72-Q76 VanDerWaalsContact O-CB 3.27Å; K72-Q76 WeakPolarHBondContact O-CB 3.43Å; K72-Q76 PolarHBondContact O-N 2.87Å; Q76-M78 VanDerWaalsContact C-N 3.33Å; Q76-M78 PolarHBondContact O-N 3.14Å; Q76-G79 WeakPolarHBondContact O-CA 3.21Å; Q76-G79 PolarHBondContact O-N 2.87Å; Q76-D80 PolarHBondContact NE2-OD1 2.53Å; Q76-D80 VanDerWaalsContact NE2-OD1 3.09Å; Q76-D80 PolarHBondContact O-N 3.43Å
77Y97Very high94.8Very high22 Ų2247.4 Ų47.49%0.08623%0.225CC..Hα-helixtrans-67.4-34.2-178.9-169.8-114.3000112.4K73 V74 G79 D80 V81 L138 S142 N146 L281 L285K73-Y77 WeakPolarHBondContact O-CB 3.46Å; K73-Y77 PolarHBondContact O-N 3.03Å; V74-Y77 PolarHBondContact O-N 2.87Å; Y77-G79 PolarHBondContact O-N 3.47Å; Y77-D80 HydrophobicContact CD2-CB 4.43Å; Y77-D80 PolarHBondContact O-N 2.96Å; Y77-V81 HydrophobicContact CD1-CG2 4.04Å; Y77-V81 HydrophobicContact CE1-CG2 3.6Å; Y77-V81 HydrophobicContact CE2-CG2 4.14Å; Y77-V81 HydrophobicContact CG-CG2 4.49Å; Y77-V81 WeakPolarHBondContact O-CB 3.46Å; Y77-V81 VanDerWaalsContact O-CG2 3.31Å; Y77-V81 WeakPolarHBondContact O-CG2 3.34Å; Y77-V81 PolarHBondContact O-N 3.49Å; Y77-L138 HydrophobicContact CD1-CD1 3.77Å; Y77-L138 HydrophobicContact CG-CD1 4.27Å; Y77-S142 VanDerWaalsContact CE1-CB 3.47Å; Y77-S142 VanDerWaalsContact OH-CA 3.3Å; Y77-S142 WeakPolarHBondContact OH-CA 3.5Å; Y77-S142 PolarHBondContact OH-O 3.09Å; Y77-N146 PolarHBondContact OH-OD1 3.43Å; Y77-L281 HydrophobicContact CE1-CD1 4.42Å; Y77-L281 HydrophobicContact CE1-CD2 4.22Å; Y77-L285 HydrophobicContact CD1-CD1 3.96Å; Y77-L285 HydrophobicContact CD1-CD2 3.89Å; Y77-L285 HydrophobicContact CE1-CD1 4.33Å
78M96.5Very high94.5Very high0 Ų051.4 Ų51.40%024%0.243CC..Hα-helixtrans-58.6-39.8169.7-172.3-172.5-56.300111.6V74 A75 Q76 L82 L89 N92 L93 F282 L285 K286 F289V74-M78 WeakPolarHBondContact O-CB 3.45Å; V74-M78 PolarHBondContact O-N 2.9Å; A75-M78 WeakPolarHBondContact O-CB 3.45Å; A75-M78 PolarHBondContact O-N 2.7Å; Q76-M78 VanDerWaalsContact C-N 3.33Å; Q76-M78 PolarHBondContact O-N 3.14Å; M78-L82 WeakPolarHBondContact O-CG 3.39Å; M78-L82 PolarHBondContact O-N 2.98Å; M78-L89 HydrophobicContact CB-CD1 3.88Å; M78-L89 HydrophobicContact CG-CD1 3.71Å; M78-L89 HydrophobicContact SD-CD1 3.76Å; M78-N92 HydrophobicContact SD-CB 3.82Å; M78-L93 HydrophobicContact CE-CD2 4.12Å; M78-L93 HydrophobicContact SD-CD2 3.92Å; M78-F282 HydrophobicContact CG-CD2 4.1Å; M78-F282 HydrophobicContact CG-CE2 3.51Å; M78-F282 HydrophobicContact CG-CZ 4.35Å; M78-F282 HydrophobicContact SD-CE2 4.22Å; M78-L285 HydrophobicContact CB-CB 4.29Å; M78-L285 HydrophobicContact CB-CD1 4.31Å; M78-L285 HydrophobicContact CE-CB 3.8Å; M78-L285 WeakPolarHBondContact CE-O 3.32Å; M78-L285 HydrophobicContact CG-CB 4.34Å; M78-K286 HydrophobicContact CE-CB 4.47Å; M78-K286 HydrophobicContact CE-CG 4.09Å; M78-K286 HydrophobicContact SD-CG 4.32Å; M78-F289 HydrophobicContact CE-CB 4.02Å
79G95Very high94.4Very high1 Ų149.6 Ų49.61%0.0124%0.235CC..Hα-helixtrans-63.1-41.9172.600000113.9A75 Q76 Y77 L82A75-G79 PolarHBondContact O-N 2.68Å; Q76-G79 WeakPolarHBondContact O-CA 3.21Å; Q76-G79 PolarHBondContact O-N 2.87Å; Y77-G79 PolarHBondContact O-N 3.47Å; G79-L82 PolarHBondContact O-N 2.99Å
80D94.2Very high94.2Very high73 Ų7354.4 Ų54.439%0.3925%0.252SS..Hα-helixtrans-69.5-35-179.5-61.2-24.6000112Q76 Y77 L82 E83Q76-D80 PolarHBondContact NE2-OD1 2.53Å; Q76-D80 VanDerWaalsContact NE2-OD1 3.09Å; Q76-D80 PolarHBondContact O-N 3.43Å; Y77-D80 HydrophobicContact CD2-CB 4.43Å; Y77-D80 PolarHBondContact O-N 2.96Å; D80-L82 VanDerWaalsContact C-N 3.33Å; D80-E83 PolarHBondContact O-N 3.47Å
81V94.7Very high93.9Very high4 Ų460.5 Ų60.52%0.02428%0.284CS..Hα-helixtrans-69.5-30.31761690000111.9Y77 E83 Y145 F278 L281 F282 L285Y77-V81 HydrophobicContact CD1-CG2 4.04Å; Y77-V81 HydrophobicContact CE1-CG2 3.6Å; Y77-V81 HydrophobicContact CE2-CG2 4.14Å; Y77-V81 HydrophobicContact CG-CG2 4.49Å; Y77-V81 WeakPolarHBondContact O-CB 3.46Å; Y77-V81 VanDerWaalsContact O-CG2 3.31Å; Y77-V81 WeakPolarHBondContact O-CG2 3.34Å; Y77-V81 PolarHBondContact O-N 3.49Å; V81-E83 PolarHBondContact O-N 3.38Å; V81-Y145 HydrophobicContact CG1-CE1 4.38Å; V81-Y145 HydrophobicContact CG2-CD1 4.3Å; V81-Y145 HydrophobicContact CG2-CE1 4.24Å; V81-F278 HydrophobicContact CG1-CD2 3.69Å; V81-F278 HydrophobicContact CG1-CE2 3.47Å; V81-F278 VanDerWaalsContact CG1-CE2 3.47Å; V81-F278 WeakPolarHBondContact O-CE2 3.49Å; V81-L281 HydrophobicContact CG1-CD2 4.44Å; V81-L281 HydrophobicContact CG2-CD2 4.04Å; V81-F282 HydrophobicContact CG1-CD2 4.37Å; V81-L285 HydrophobicContact CB-CD1 4.49Å; V81-L285 HydrophobicContact CG2-CD1 4.19Å
82L94.2Very high93.8Very high11 Ų1161.7 Ų61.76%0.05829%0.29CS..THydrogen-bonded Turntrans-69.4-18.6178.2-80.9169.3000113.9M78 G79 D80 E84 Q85 L89 F282M78-L82 WeakPolarHBondContact O-CG 3.39Å; M78-L82 PolarHBondContact O-N 2.98Å; G79-L82 PolarHBondContact O-N 2.99Å; D80-L82 VanDerWaalsContact C-N 3.33Å; L82-E84 PolarHBondContact O-N 3.07Å; L82-Q85 HydrophobicContact CB-CB 4.36Å; L82-Q85 HydrophobicContact CD2-CB 3.99Å; L82-Q85 WeakPolarHBondContact O-CA 3.33Å; L82-Q85 WeakPolarHBondContact O-CB 3.33Å; L82-Q85 PolarHBondContact O-N 3.43Å; L82-L89 HydrophobicContact CD1-CB 3.97Å; L82-L89 HydrophobicContact CD1-CD1 4.1Å; L82-F282 HydrophobicContact CD1-CE2 4.02Å; L82-F282 HydrophobicContact CD1-CZ 4.18Å; L82-F282 HydrophobicContact CD2-CD2 4.49Å; L82-F282 HydrophobicContact CD2-CE1 4.45Å; L82-F282 HydrophobicContact CD2-CE2 3.61Å; L82-F282 HydrophobicContact CD2-CZ 3.59Å; L82-F282 HydrophobicContact CG-CE2 3.62Å; L82-F282 HydrophobicContact CG-CZ 4.02Å
83E90.3Very high93.8Very high76 Ų7659 Ų5936%0.35528%0.279SS..G310 helixtrans48.4-113.6179-61.7176.5175.300111.1D80 V81 Q85 K86 K149 K274D80-E83 PolarHBondContact O-N 3.47Å; V81-E83 PolarHBondContact O-N 3.38Å; E83-Q85 PolarHBondContact O-N 3.29Å; E83-K86 WeakPolarHBondContact O-CB 3.24Å; E83-K86 PolarHBondContact O-N 3.48Å; E83-K149 WeakPolarHBondContact OE1-CE 3.37Å; E83-K149 IonicContact OE1-NZ 3.87Å; E83-K149 PolarHBondContact OE1-NZ 2.94Å; E83-K274 IonicContact OE1-NZ 2.64Å; E83-K274 PolarHBondContact OE1-NZ 2.81Å; E83-K274 IonicContact OE2-NZ 2.73Å; E83-K274 PolarHBondContact OE2-NZ 3.37Å
84E89.5Confident93.8Very high183 Ų18357.5 Ų57.586%0.85528%0.277SS*.G310 helixtrans-63.3-22.6179.2-59.4179.4168.200113.7L82 K86 H87L82-E84 PolarHBondContact O-N 3.07Å; E84-K86 VanDerWaalsContact C-N 3.33Å; E84-H87 PolarHBondContact O-ND1 3.08Å
85Q90.7Very high93.7Very high95 Ų9557.5 Ų57.544%0.44428%0.277SS..G310 helixtrans-92.514.6-179.8-56.9-167.62700113.3L82 E83 H87 K88L82-Q85 HydrophobicContact CB-CB 4.36Å; L82-Q85 HydrophobicContact CD2-CB 3.99Å; L82-Q85 WeakPolarHBondContact O-CA 3.33Å; L82-Q85 WeakPolarHBondContact O-CB 3.33Å; L82-Q85 PolarHBondContact O-N 3.43Å; E83-Q85 PolarHBondContact O-N 3.29Å; Q85-H87 PolarHBondContact O-N 3.26Å; Q85-H87 VanDerWaalsContact O-N 3.07Å; Q85-K88 HydrophobicContact CB-CD 4.37Å; Q85-K88 WeakPolarHBondContact O-CB 3.35Å; Q85-K88 PolarHBondContact O-N 3.29Å
86K90.9Very high93.6Very high90 Ų9062.9 Ų62.939%0.39131%0.306SS..G310 helixtrans-55.8-27.6-177.8-172.7169.3179.8171.50113.8E83 E84 K88 L89E83-K86 WeakPolarHBondContact O-CB 3.24Å; E83-K86 PolarHBondContact O-N 3.48Å; E84-K86 VanDerWaalsContact C-N 3.33Å; K86-K88 PolarHBondContact O-N 2.99Å; K86-L89 WeakPolarHBondContact O-CB 3.48Å; K86-L89 PolarHBondContact O-N 2.78Å
87H89.6Confident93.5Very high144 Ų14463.4 Ų63.467%0.66733%0.326SS*.G310 helixtrans-60.7-21.6173.763.5-86.7000113.9E84 Q85 L89E84-H87 PolarHBondContact O-ND1 3.08Å; Q85-H87 PolarHBondContact O-N 3.26Å; Q85-H87 VanDerWaalsContact O-N 3.07Å; H87-L89 VanDerWaalsContact C-N 3.31Å
88K91.9Very high93.5Very high84 Ų8465.3 Ų65.337%0.36534%0.337SS..G310 helixtrans-85.8-1176.1-56-175.7-176.51690113.1Q85 K86 E90 D91 N92Q85-K88 HydrophobicContact CB-CD 4.37Å; Q85-K88 WeakPolarHBondContact O-CB 3.35Å; Q85-K88 PolarHBondContact O-N 3.29Å; K86-K88 PolarHBondContact O-N 2.99Å; K88-E90 VanDerWaalsContact C-N 3.33Å; K88-E90 PolarHBondContact O-N 3.05Å; K88-D91 PolarHBondContact O-N 2.95Å; K88-N92 PolarHBondContact O-ND2 3.24Å
89L94Very high93.4Very high5 Ų568.2 Ų68.23%0.02636%0.358CS..Hα-helixtrans-57.3-45.4-172.1176.857.9000112.1M78 L82 K86 H87 D91 N92 L93 I381M78-L89 HydrophobicContact CB-CD1 3.88Å; M78-L89 HydrophobicContact CG-CD1 3.71Å; M78-L89 HydrophobicContact SD-CD1 3.76Å; L82-L89 HydrophobicContact CD1-CB 3.97Å; L82-L89 HydrophobicContact CD1-CD1 4.1Å; K86-L89 WeakPolarHBondContact O-CB 3.48Å; K86-L89 PolarHBondContact O-N 2.78Å; H87-L89 VanDerWaalsContact C-N 3.31Å; L89-D91 VanDerWaalsContact C-N 3.28Å; L89-D91 PolarHBondContact O-N 3.05Å; L89-N92 WeakPolarHBondContact O-CA 3.46Å; L89-N92 WeakPolarHBondContact O-CB 3.28Å; L89-N92 PolarHBondContact O-N 3.2Å; L89-L93 HydrophobicContact CD1-CD2 4.01Å; L89-L93 HydrophobicContact CD1-CG 4.14Å; L89-L93 HydrophobicContact CG-CD1 4.31Å; L89-L93 HydrophobicContact CG-CG 4.28Å; L89-L93 WeakPolarHBondContact O-CG 3.15Å; L89-L93 PolarHBondContact O-N 2.83Å; L89-L93 VanDerWaalsContact O-N 3.12Å; L89-I381 HydrophobicContact CD2-CD1 3.32Å; L89-I381 HydrophobicContact CD2-CG1 3.68Å; L89-I381 HydrophobicContact CG-CD1 3.82Å
90E91.5Very high93.4Very high151 Ų15169.1 Ų69.171%0.70636%0.364SS*.Hα-helixtrans-56.8-40.4-179-64.3-172.6169.200112.4K88 N92 L93K88-E90 VanDerWaalsContact C-N 3.33Å; K88-E90 PolarHBondContact O-N 3.05Å; E90-N92 PolarHBondContact O-N 2.88Å; E90-L93 PolarHBondContact O-N 2.66Å
91D92.4Very high93.4Very high128 Ų12867 Ų6768%0.68436%0.356SS*.Hα-helixtrans-65.3-21.3176.9-61.7-30.9000113.1K88 L89K88-D91 PolarHBondContact O-N 2.95Å; L89-D91 VanDerWaalsContact C-N 3.28Å; L89-D91 PolarHBondContact O-N 3.05Å
92N95.1Very high93.4Very high24 Ų2468 Ų6813%0.12837%0.365CS..Hα-helixtrans-96.1-17.9-178.5-66.9-73.4000112.8M78 K88 L89 E90 T94 F282 K286M78-N92 HydrophobicContact SD-CB 3.82Å; K88-N92 PolarHBondContact O-ND2 3.24Å; L89-N92 WeakPolarHBondContact O-CA 3.46Å; L89-N92 WeakPolarHBondContact O-CB 3.28Å; L89-N92 PolarHBondContact O-N 3.2Å; E90-N92 PolarHBondContact O-N 2.88Å; N92-T94 VanDerWaalsContact C-N 3.29Å; N92-T94 PolarHBondContact O-N 2.85Å; N92-F282 HydrophobicContact CB-CZ 4.1Å; N92-K286 VanDerWaalsContact CG-CE 3.5Å; N92-K286 WeakPolarHBondContact OD1-CE 3.34Å; N92-K286 PolarHBondContact OD1-NZ 2.82Å
93L96.1Very high93.5Very high11 Ų1168.2 Ų68.26%0.05837%0.365CS..  trans-77.776.9175.2-65-174.3000110.3A75 M78 L89 E90 P100 F289 M380 I381A75-L93 HydrophobicContact CB-CD1 4.17Å; A75-L93 HydrophobicContact CB-CD2 3.78Å; M78-L93 HydrophobicContact CE-CD2 4.12Å; M78-L93 HydrophobicContact SD-CD2 3.92Å; L89-L93 HydrophobicContact CD1-CD2 4.01Å; L89-L93 HydrophobicContact CD1-CG 4.14Å; L89-L93 HydrophobicContact CG-CD1 4.31Å; L89-L93 HydrophobicContact CG-CG 4.28Å; L89-L93 WeakPolarHBondContact O-CG 3.15Å; L89-L93 PolarHBondContact O-N 2.83Å; L89-L93 VanDerWaalsContact O-N 3.12Å; E90-L93 PolarHBondContact O-N 2.66Å; L93-P100 VanDerWaalsContact O-CD 3.3Å; L93-P100 WeakPolarHBondContact O-CD 3.37Å; L93-F289 VanDerWaalsContact C-CE1 3.42Å; L93-F289 HydrophobicContact CB-CD1 4.16Å; L93-F289 HydrophobicContact CB-CE1 3.61Å; L93-F289 HydrophobicContact CB-CE2 4.47Å; L93-F289 HydrophobicContact CB-CZ 3.78Å; L93-F289 HydrophobicContact CD1-CZ 4.4Å; L93-F289 HydrophobicContact CD2-CD1 4.05Å; L93-F289 HydrophobicContact CD2-CD2 3.76Å; L93-F289 HydrophobicContact CD2-CE1 4.11Å; L93-F289 HydrophobicContact CD2-CE2 3.81Å; L93-F289 HydrophobicContact CD2-CG 3.87Å; L93-F289 HydrophobicContact CD2-CZ 3.99Å; L93-F289 HydrophobicContact CG-CE1 4.39Å; L93-F289 HydrophobicContact CG-CE2 4.48Å; L93-F289 HydrophobicContact CG-CZ 4.26Å; L93-M380 HydrophobicContact CD1-CB 4.2Å; L93-I381 HydrophobicContact CD1-CD1 3.95Å; L93-I381 HydrophobicContact CD1-CG1 4.31Å
94T96.4Very high93.8Very high49 Ų4964.7 Ų64.730%0.30135%0.349SS..  trans-118.2151.4-177.760.20000112.6N92 L98 G290N92-T94 VanDerWaalsContact C-N 3.29Å; N92-T94 PolarHBondContact O-N 2.85Å; T94-L98 CarbonylContact C-O 3.52Å; T94-L98 VanDerWaalsContact CA-O 3.28Å; T94-L98 WeakPolarHBondContact CA-O 3.33Å; T94-G290 WeakPolarHBondContact O-CA 3.48Å
95V96.8Very high94.1Very high0 Ų057.2 Ų57.20%032%0.316CS..BIsolated β-bridgetrans-128.2111-178.9-169.20000107.4G97 L98 F103 F289 F293V95-G97 PolarHBondContact O-N 2.91Å; V95-G97 VanDerWaalsContact O-N 3.16Å; V95-L98 PolarHBondContact N-O 2.88Å; V95-L98 WeakPolarHBondContact O-CB 3.37Å; V95-L98 PolarHBondContact O-N 3.45Å; V95-F103 HydrophobicContact CB-CB 4.03Å; V95-F103 HydrophobicContact CB-CD2 3.91Å; V95-F103 HydrophobicContact CB-CG 3.91Å; V95-F103 HydrophobicContact CG1-CB 4.33Å; V95-F103 HydrophobicContact CG1-CD1 4.06Å; V95-F103 HydrophobicContact CG1-CD2 3.4Å; V95-F103 HydrophobicContact CG1-CE1 4.19Å; V95-F103 HydrophobicContact CG1-CE2 3.56Å; V95-F103 HydrophobicContact CG1-CG 3.66Å; V95-F103 HydrophobicContact CG1-CZ 3.96Å; V95-F289 HydrophobicContact CG2-CE1 4.09Å; V95-F293 HydrophobicContact CB-CD1 4.38Å; V95-F293 HydrophobicContact CG1-CD1 4.19Å; V95-F293 HydrophobicContact CG2-CB 3.9Å; V95-F293 HydrophobicContact CG2-CD1 3.53Å; V95-F293 HydrophobicContact CG2-CE1 4.26Å; V95-F293 HydrophobicContact CG2-CG 3.82Å
96N93.4Very high94.4Very high113 Ų11359.5 Ų59.560%0.60432%0.324SS*.THydrogen-bonded Turntrans50.835.8-172.2-63.5-14.9000113.5L98N96-L98 VanDerWaalsContact C-N 3.28Å; N96-L98 PolarHBondContact O-N 3.4Å
97G94.1Very high94.7Very high68 Ų6855.4 Ų55.470%0.70131%0.306SS*.THydrogen-bonded Turntrans78.43-177.700000115.3V95V95-G97 PolarHBondContact O-N 2.91Å; V95-G97 VanDerWaalsContact O-N 3.16Å
98L95.9Very high95Very high61 Ų6155.5 Ų55.532%0.31931%0.307SS..BIsolated β-bridgetrans-102.9156.7175.3-59.7176.9000110.9T94 V95 N96 A102 F103T94-L98 CarbonylContact C-O 3.52Å; T94-L98 VanDerWaalsContact CA-O 3.28Å; T94-L98 WeakPolarHBondContact CA-O 3.33Å; V95-L98 PolarHBondContact N-O 2.88Å; V95-L98 WeakPolarHBondContact O-CB 3.37Å; V95-L98 PolarHBondContact O-N 3.45Å; N96-L98 VanDerWaalsContact C-N 3.28Å; N96-L98 PolarHBondContact O-N 3.4Å; L98-A102 HydrophobicContact CB-CB 4.12Å; L98-F103 HydrophobicContact CB-CB 4.28Å
99S94.6Very high95.3Very high61 Ų6152 Ų5243%0.42729%0.292SS..  trans-65.9156.7164.870.30000110.3A101 A102 F103S99-A101 PolarHBondContact O-N 2.89Å; S99-A102 PolarHBondContact O-N 3.03Å; S99-A102 VanDerWaalsContact OG-CB 3.32Å; S99-A102 WeakPolarHBondContact OG-CB 3.49Å; S99-A102 PolarHBondContact OG-N 3.3Å; S99-F103 PolarHBondContact O-N 2.92Å
100P95.6Very high95.4Very high21 Ų2153.5 Ų53.514%0.13630%0.3CS..Hα-helixtrans-56.1-38.2-179.7-28.537.7000113.2L93 L104 F289 F293 L378L93-P100 VanDerWaalsContact O-CD 3.3Å; L93-P100 WeakPolarHBondContact O-CD 3.37Å; P100-L104 WeakPolarHBondContact O-CB 3.13Å; P100-L104 PolarHBondContact O-N 3.36Å; P100-F289 HydrophobicContact CG-CE1 4.2Å; P100-F289 HydrophobicContact CG-CZ 4.11Å; P100-F293 HydrophobicContact CB-CD2 4.3Å; P100-F293 HydrophobicContact CB-CE1 4.1Å; P100-F293 HydrophobicContact CB-CE2 3.72Å; P100-F293 HydrophobicContact CB-CZ 3.6Å; P100-L378 HydrophobicContact CB-CD2 4.28Å
101A94.5Very high95.7Very high28 Ų2852.6 Ų52.623%0.23129%0.291CS..Hα-helixtrans-66.8-44.217500000112.4F4 S99 F103 L104 T105 L378F4-A101 HydrophobicContact CE2-CB 4Å; F4-A101 HydrophobicContact CZ-CB 4.18Å; S99-A101 PolarHBondContact O-N 2.89Å; A101-F103 VanDerWaalsContact C-N 3.34Å; A101-L104 PolarHBondContact O-N 3.03Å; A101-T105 VanDerWaalsContact O-CG2 3.31Å; A101-T105 WeakPolarHBondContact O-CG2 3.25Å; A101-T105 PolarHBondContact O-N 2.98Å; A101-T105 PolarHBondContact O-OG1 2.88Å; A101-L378 HydrophobicContact CB-CD1 3.59Å
102A95.1Very high95.9Very high25 Ų2550.8 Ų50.821%0.20729%0.294CS..Hα-helixtrans-67.4-34.817800000112.2L98 S99 T105 K106L98-A102 HydrophobicContact CB-CB 4.12Å; S99-A102 PolarHBondContact O-N 3.03Å; S99-A102 VanDerWaalsContact OG-CB 3.32Å; S99-A102 WeakPolarHBondContact OG-CB 3.49Å; S99-A102 PolarHBondContact OG-N 3.3Å; A102-T105 WeakPolarHBondContact CA-OG1 2.95Å; A102-T105 PolarHBondContact O-OG1 3.34Å; A102-T105 VanDerWaalsContact O-OG1 3.04Å; A102-K106 WeakPolarHBondContact O-CB 3.11Å; A102-K106 WeakPolarHBondContact O-CG 3.16Å; A102-K106 PolarHBondContact O-N 3.4Å
103F96.3Very high95.9Very high15 Ų1553 Ų537%0.06630%0.303CS..Hα-helixtrans-64.7-48.6172.5177-89.1000111V95 L98 S99 A101 T105 K106 F107 F293 V297V95-F103 HydrophobicContact CB-CB 4.03Å; V95-F103 HydrophobicContact CB-CD2 3.91Å; V95-F103 HydrophobicContact CB-CG 3.91Å; V95-F103 HydrophobicContact CG1-CB 4.33Å; V95-F103 HydrophobicContact CG1-CD1 4.06Å; V95-F103 HydrophobicContact CG1-CD2 3.4Å; V95-F103 HydrophobicContact CG1-CE1 4.19Å; V95-F103 HydrophobicContact CG1-CE2 3.56Å; V95-F103 HydrophobicContact CG1-CG 3.66Å; V95-F103 HydrophobicContact CG1-CZ 3.96Å; L98-F103 HydrophobicContact CB-CB 4.28Å; S99-F103 PolarHBondContact O-N 2.92Å; A101-F103 VanDerWaalsContact C-N 3.34Å; F103-T105 PolarHBondContact O-N 3.34Å; F103-K106 CarbonylContact O-C 3.53Å; F103-K106 VanDerWaalsContact O-C 3.32Å; F103-K106 PolarHBondContact O-N 3.43Å; F103-F107 HydrophobicContact CE1-CD2 4.05Å; F103-F107 HydrophobicContact CZ-CD2 4.28Å; F103-F107 WeakPolarHBondContact O-CA 3.36Å; F103-F107 PolarHBondContact O-N 3.03Å; F103-F293 HydrophobicContact CD1-CD1 4.02Å; F103-F293 AromaticContact CD1-CE1 3.73Å; F103-F293 HydrophobicContact CD1-CE1 3.73Å; F103-F293 HydrophobicContact CE1-CD1 4.34Å; F103-F293 HydrophobicContact CE1-CE1 4.33Å; F103-V297 HydrophobicContact CD1-CG2 4.39Å; F103-V297 HydrophobicContact CE1-CB 4.13Å; F103-V297 HydrophobicContact CE1-CG1 4.39Å; F103-V297 HydrophobicContact CE1-CG2 4.07Å
104L96.2Very high95.9Very high2 Ų252.5 Ų52.51%0.0130%0.3CS..Hα-helixtrans-62.7-43.2-178-174.762.4000112.3F4 F39 P100 A101 K106 F107 V297 L322 V376 L378F4-L104 HydrophobicContact CB-CD2 3.6Å; F4-L104 HydrophobicContact CD1-CD2 4.22Å; F4-L104 HydrophobicContact CD2-CD2 3.7Å; F4-L104 HydrophobicContact CE2-CD2 4.41Å; F4-L104 HydrophobicContact CG-CD2 3.58Å; F39-L104 HydrophobicContact CE2-CD1 4.09Å; P100-L104 WeakPolarHBondContact O-CB 3.13Å; P100-L104 PolarHBondContact O-N 3.36Å; A101-L104 PolarHBondContact O-N 3.03Å; L104-K106 VanDerWaalsContact C-N 3.26Å; L104-K106 PolarHBondContact O-N 3.19Å; L104-F107 WeakPolarHBondContact O-CB 3.28Å; L104-F107 PolarHBondContact O-N 3.41Å; L104-V297 HydrophobicContact CD1-CG1 3.71Å; L104-V297 HydrophobicContact CD1-CG2 3.97Å; L104-L322 HydrophobicContact CD1-CD1 4.2Å; L104-L322 HydrophobicContact CD2-CD1 3.96Å; L104-L322 HydrophobicContact CD2-CD2 4.48Å; L104-L322 HydrophobicContact CG-CD1 3.84Å; L104-L322 HydrophobicContact CG-CD2 3.9Å; L104-V376 HydrophobicContact CD2-CB 3.97Å; L104-V376 HydrophobicContact CD2-CG1 3.83Å; L104-V376 HydrophobicContact CD2-CG2 4.26Å; L104-L378 HydrophobicContact CD2-CD2 4.34Å
105T95.9Very high95.9Very high26 Ų2652.2 Ų52.216%0.1630%0.299CS..Hα-helixtrans-66.7-25.6177.550.70000113.6F4 Q35 A101 A102 F103 L322F4-T105 HydrophobicContact CE1-CG2 3.7Å; F4-T105 HydrophobicContact CZ-CG2 3.98Å; Q35-T105 VanDerWaalsContact OE1-CG2 3.29Å; A101-T105 VanDerWaalsContact O-CG2 3.31Å; A101-T105 WeakPolarHBondContact O-CG2 3.25Å; A101-T105 PolarHBondContact O-N 2.98Å; A101-T105 PolarHBondContact O-OG1 2.88Å; A102-T105 WeakPolarHBondContact CA-OG1 2.95Å; A102-T105 PolarHBondContact O-OG1 3.34Å; A102-T105 VanDerWaalsContact O-OG1 3.04Å; F103-T105 PolarHBondContact O-N 3.34Å; T105-L322 HydrophobicContact CG2-CD2 3.96Å
106K95.9Very high95.8Very high143 Ų14352.9 Ų52.962%0.62230%0.303SS*.THydrogen-bonded Turntrans-108.719.7177.4-61.9-178.4-179.8179.70112.7A102 F103 L104 Q108A102-K106 WeakPolarHBondContact O-CB 3.11Å; A102-K106 WeakPolarHBondContact O-CG 3.16Å; A102-K106 PolarHBondContact O-N 3.4Å; F103-K106 CarbonylContact O-C 3.53Å; F103-K106 VanDerWaalsContact O-C 3.32Å; F103-K106 PolarHBondContact O-N 3.43Å; L104-K106 VanDerWaalsContact C-N 3.26Å; L104-K106 PolarHBondContact O-N 3.19Å; K106-Q108 PolarHBondContact O-N 3.27Å
107F97.4Very high95.8Very high4 Ų455.8 Ų55.82%0.01831%0.31CS..  trans-54.7130.8-174.3173.6-102.2000111.2F39 F103 L104 W109 V297 H298 A301F39-F107 HydrophobicContact CD2-CB 4.24Å; F39-F107 AromaticContact CD2-CD1 3.96Å; F39-F107 HydrophobicContact CD2-CD1 3.96Å; F39-F107 HydrophobicContact CD2-CG 4.39Å; F39-F107 HydrophobicContact CE1-CD1 4.17Å; F39-F107 HydrophobicContact CE1-CE1 4.14Å; F39-F107 HydrophobicContact CE2-CB 3.81Å; F39-F107 AromaticContact CE2-CD1 3.37Å; F39-F107 HydrophobicContact CE2-CD1 3.37Å; F39-F107 HydrophobicContact CE2-CE1 4.07Å; F39-F107 AromaticContact CE2-CG 3.65Å; F39-F107 HydrophobicContact CE2-CG 3.65Å; F39-F107 AromaticContact CZ-CD1 3.49Å; F39-F107 HydrophobicContact CZ-CD1 3.49Å; F39-F107 VanDerWaalsContact CZ-CD1 3.49Å; F39-F107 AromaticContact CZ-CE1 3.68Å; F39-F107 HydrophobicContact CZ-CE1 3.68Å; F39-F107 HydrophobicContact CZ-CG 4.06Å; F39-F107 HydrophobicContact CZ-CZ 4.37Å; F103-F107 HydrophobicContact CE1-CD2 4.05Å; F103-F107 HydrophobicContact CZ-CD2 4.28Å; F103-F107 WeakPolarHBondContact O-CA 3.36Å; F103-F107 PolarHBondContact O-N 3.03Å; L104-F107 WeakPolarHBondContact O-CB 3.28Å; L104-F107 PolarHBondContact O-N 3.41Å; F107-W109 HydrophobicContact CZ-CE3 4.11Å; F107-V297 HydrophobicContact CB-CG1 4.46Å; F107-V297 HydrophobicContact CD1-CG1 4.5Å; F107-V297 HydrophobicContact CD2-CB 4.27Å; F107-V297 HydrophobicContact CD2-CG1 3.36Å; F107-V297 HydrophobicContact CE2-CB 4.25Å; F107-V297 HydrophobicContact CE2-CG1 3.59Å; F107-V297 HydrophobicContact CG-CG1 3.85Å; F107-V297 HydrophobicContact CZ-CG1 4.26Å; F107-H298 AromaticContact CE2-CE1 3.63Å; F107-H298 AromaticContact CE2-ND1 3.77Å; F107-H298 AromaticContact CE2-NE2 3.87Å; F107-A301 HydrophobicContact CE1-CB 4.05Å; F107-A301 HydrophobicContact CZ-CB 4.12Å
108Q96.6Very high95.9Very high147 Ų14755.3 Ų55.369%0.68729%0.29SS*.  trans-131.2141.6168.2-65.6-173.510.100107.7K106 D110K106-Q108 PolarHBondContact O-N 3.27Å; Q108-D110 PolarHBondContact O-N 3.13Å
109W97.7Very high95.9Very high9 Ų955.9 Ų55.93%0.03430%0.296CS..  trans-62.1129174.9-171.9-94.6000110.8P42 F45 F107 Y111 Y114 L123 H298 A301 L302P42-W109 HydrophobicContact CG-CB 3.6Å; P42-W109 HydrophobicContact CG-CD2 3.76Å; P42-W109 HydrophobicContact CG-CE3 4.35Å; P42-W109 HydrophobicContact CG-CG 3.37Å; F45-W109 AromaticContact CE1-CE2 3.9Å; F45-W109 HydrophobicContact CE1-CH2 4.13Å; F45-W109 AromaticContact CE1-CZ2 3.66Å; F45-W109 HydrophobicContact CE1-CZ2 3.66Å; F45-W109 AromaticContact CZ-CD2 3.89Å; F45-W109 HydrophobicContact CZ-CD2 3.89Å; F45-W109 AromaticContact CZ-CE2 3.63Å; F45-W109 AromaticContact CZ-CE3 3.93Å; F45-W109 HydrophobicContact CZ-CE3 3.93Å; F45-W109 AromaticContact CZ-CH2 3.57Å; F45-W109 HydrophobicContact CZ-CH2 3.57Å; F45-W109 AromaticContact CZ-CZ2 3.47Å; F45-W109 HydrophobicContact CZ-CZ2 3.47Å; F45-W109 VanDerWaalsContact CZ-CZ2 3.47Å; F45-W109 AromaticContact CZ-CZ3 3.78Å; F45-W109 HydrophobicContact CZ-CZ3 3.78Å; F107-W109 HydrophobicContact CZ-CE3 4.11Å; W109-Y111 HydrophobicContact CB-CE2 4.12Å; W109-Y111 AromaticContact CD1-CD1 3.93Å; W109-Y111 WeakPolarHBondContact O-CD2 3.34Å; W109-Y111 WeakPolarHBondContact O-CE2 3.42Å; W109-Y111 PolarHBondContact O-N 2.84Å; W109-Y111 VanDerWaalsContact O-N 3.07Å; W109-Y114 VanDerWaalsContact CZ2-CB 3.43Å; W109-Y114 HydrophobicContact CZ2-CD2 4.4Å; W109-Y114 HydrophobicContact CZ2-CG 4.22Å; W109-Y114 PolarHBondContact NE1-O 3.31Å; W109-L123 HydrophobicContact CZ2-CD1 4.1Å; W109-H298 AromaticContact CD2-CD2 3.77Å; W109-H298 AromaticContact CE3-CD2 3.46Å; W109-H298 VanDerWaalsContact CE3-CD2 3.46Å; W109-H298 HydrophobicContact CH2-CB 4.31Å; W109-H298 AromaticContact CH2-CD2 3.93Å; W109-H298 HydrophobicContact CZ3-CB 4.02Å; W109-H298 AromaticContact CZ3-CD2 3.54Å; W109-A301 HydrophobicContact CE3-CB 4.22Å; W109-A301 HydrophobicContact CZ3-CB 3.94Å; W109-L302 HydrophobicContact CH2-CD1 4.3Å; W109-L302 HydrophobicContact CH2-CD2 3.73Å; W109-L302 HydrophobicContact CH2-CG 3.82Å; W109-L302 HydrophobicContact CZ3-CD2 4.33Å; W109-L302 HydrophobicContact CZ3-CG 4.25Å
110D97.2Very high96.1Very high38 Ų3853.3 Ų53.320%0.20328%0.277CS..  trans-79.688.6175.8-169.7-27.2000109.9Q108 A112 K113 Y114 H298Q108-D110 PolarHBondContact O-N 3.13Å; D110-A112 PolarHBondContact O-N 3.02Å; D110-A112 WeakPolarHBondContact OD1-CB 3.5Å; D110-A112 PolarHBondContact OD1-N 3.26Å; D110-A112 VanDerWaalsContact OD1-N 3.12Å; D110-K113 HydrophobicContact CB-CB 4.27Å; D110-K113 PolarHBondContact O-N 2.93Å; D110-K113 PolarHBondContact OD1-N 2.89Å; D110-K113 WeakPolarHBondContact OD2-CD 3.38Å; D110-K113 WeakPolarHBondContact OD2-CE 3.42Å; D110-K113 WeakPolarHBondContact OD2-CG 3.28Å; D110-K113 IonicContact OD2-NZ 2.93Å; D110-Y114 HydrophobicContact CB-CD2 4.12Å; D110-Y114 HydrophobicContact CB-CE2 4.41Å; D110-Y114 PolarHBondContact O-N 2.82Å; D110-H298 PolarHBondContact N-NE2 3.19Å
111Y96.4Very high96.1Very high131 Ų13154.7 Ų54.751%0.51429%0.287SS..THydrogen-bonded Turntrans-63.1-21.8179.9-65.7-88.7000113.8P42 W109 V116P42-Y111 HydrophobicContact CG-CE1 4.3Å; W109-Y111 HydrophobicContact CB-CE2 4.12Å; W109-Y111 AromaticContact CD1-CD1 3.93Å; W109-Y111 WeakPolarHBondContact O-CD2 3.34Å; W109-Y111 WeakPolarHBondContact O-CE2 3.42Å; W109-Y111 PolarHBondContact O-N 2.84Å; W109-Y111 VanDerWaalsContact O-N 3.07Å; Y111-V116 HydrophobicContact CD1-CG1 3.89Å; Y111-V116 HydrophobicContact CD1-CG2 4.23Å; Y111-V116 HydrophobicContact CE1-CG1 3.74Å; Y111-V116 HydrophobicContact CE1-CG2 4.26Å
112A96.2Very high96.2Very high91 Ų9155.3 Ų55.375%0.75229%0.29SS*.THydrogen-bonded Turntrans-79-43.1179.300000111D110D110-A112 PolarHBondContact O-N 3.02Å; D110-A112 WeakPolarHBondContact OD1-CB 3.5Å; D110-A112 PolarHBondContact OD1-N 3.26Å; D110-A112 VanDerWaalsContact OD1-N 3.12Å
113K95.7Very high96.4Very high70 Ų7054.1 Ų54.130%0.30428%0.28SS..THydrogen-bonded Turntrans-78.1-37.3176.5-68.1-175.1-173.6172.60112.9D110 P115 E291D110-K113 HydrophobicContact CB-CB 4.27Å; D110-K113 PolarHBondContact O-N 2.93Å; D110-K113 PolarHBondContact OD1-N 2.89Å; D110-K113 WeakPolarHBondContact OD2-CD 3.38Å; D110-K113 WeakPolarHBondContact OD2-CE 3.42Å; D110-K113 WeakPolarHBondContact OD2-CG 3.28Å; D110-K113 IonicContact OD2-NZ 2.93Å; K113-P115 WeakPolarHBondContact O-CD 3.24Å; K113-E291 IonicContact NZ-OE1 3.8Å; K113-E291 PolarHBondContact NZ-OE1 3.14Å; K113-E291 IonicContact NZ-OE2 2.74Å; K113-E291 PolarHBondContact NZ-OE2 2.95Å
114Y96.7Very high96.5Very high1 Ų155.8 Ų55.80%0.00429%0.286CS..SBendtrans-127.174.4-172.6-47.5-56.9000111.6W109 D110 V116 I126 I127 Q130 H298W109-Y114 VanDerWaalsContact CZ2-CB 3.43Å; W109-Y114 HydrophobicContact CZ2-CD2 4.4Å; W109-Y114 HydrophobicContact CZ2-CG 4.22Å; W109-Y114 PolarHBondContact NE1-O 3.31Å; D110-Y114 HydrophobicContact CB-CD2 4.12Å; D110-Y114 HydrophobicContact CB-CE2 4.41Å; D110-Y114 PolarHBondContact O-N 2.82Å; Y114-V116 PolarHBondContact O-N 2.92Å; Y114-I126 HydrophobicContact CD1-CG2 4.03Å; Y114-I126 HydrophobicContact CE1-CG2 4.05Å; Y114-I127 HydrophobicContact CD1-CD1 4.32Å; Y114-I127 HydrophobicContact CD1-CG1 3.79Å; Y114-I127 HydrophobicContact CE1-CD1 4.2Å; Y114-I127 HydrophobicContact CE1-CG1 3.34Å; Y114-Q130 PolarHBondContact OH-OE1 3.44Å; Y114-H298 HydrophobicContact CD2-CB 4.38Å; Y114-H298 AromaticContact CD2-CD2 3.23Å; Y114-H298 WeakPolarHBondContact CD2-CD2 3.34Å; Y114-H298 AromaticContact CD2-CG 3.76Å; Y114-H298 AromaticContact CD2-NE2 3.56Å; Y114-H298 HydrophobicContact CE2-CB 4.05Å; Y114-H298 AromaticContact CE2-CD2 3.44Å; Y114-H298 VanDerWaalsContact CE2-CD2 3.44Å; Y114-H298 WeakPolarHBondContact CE2-CD2 3.15Å; Y114-H298 AromaticContact CE2-CE1 3.81Å; Y114-H298 AromaticContact CE2-CG 3.48Å; Y114-H298 VanDerWaalsContact CE2-CG 3.48Å; Y114-H298 AromaticContact CE2-ND1 3.72Å; Y114-H298 AromaticContact CE2-NE2 3.67Å
115P96.2Very high96.6Very high43 Ų4358 Ų5828%0.27931%0.305SS..  trans-61.4120.8-177.2-22.230.8000113.2K113 K117 Q118K113-P115 WeakPolarHBondContact O-CD 3.24Å; P115-K117 PolarHBondContact O-N 3.32Å; P115-Q118 HydrophobicContact CB-CG 4.37Å; P115-Q118 WeakPolarHBondContact O-CB 3.41Å; P115-Q118 PolarHBondContact O-N 2.99Å
116V94.8Very high96.7Very high14 Ų1459.2 Ų59.29%0.08531%0.31CS..THydrogen-bonded Turntrans-60.7-16.1179.3-60.50000114.5P42 D44 F45 Y111 Y114 Q118P42-V116 HydrophobicContact CB-CG1 3.64Å; P42-V116 HydrophobicContact CG-CG1 3.75Å; D44-V116 WeakPolarHBondContact OD2-CG2 3.4Å; F45-V116 HydrophobicContact CD1-CB 4.19Å; F45-V116 HydrophobicContact CD1-CG1 4.11Å; F45-V116 HydrophobicContact CE1-CB 4.28Å; F45-V116 HydrophobicContact CE1-CG1 3.74Å; F45-V116 HydrophobicContact CZ-CG1 4.42Å; Y111-V116 HydrophobicContact CD1-CG1 3.89Å; Y111-V116 HydrophobicContact CD1-CG2 4.23Å; Y111-V116 HydrophobicContact CE1-CG1 3.74Å; Y111-V116 HydrophobicContact CE1-CG2 4.26Å; Y114-V116 PolarHBondContact O-N 2.92Å; V116-Q118 PolarHBondContact O-N 2.71Å
117K93.9Very high96.8Very high173 Ų17352.4 Ų52.475%0.75228%0.28SS*.THydrogen-bonded Turntrans-69.5-17.4173.2-67-175.3179.1179.80113.4K46 P115K46-K117 WeakPolarHBondContact CD-O 3.44Å; K46-K117 WeakPolarHBondContact CE-O 3.4Å; K46-K117 PolarHBondContact NZ-O 3.4Å; P115-K117 PolarHBondContact O-N 3.32Å
118Q94.9Very high96.8Very high59 Ų5953.6 Ų53.628%0.27629%0.289SS..SBendtrans-79.2165.1175.1-60.4-167.753.800111.2P115 V116 S122 L123P115-Q118 HydrophobicContact CB-CG 4.37Å; P115-Q118 WeakPolarHBondContact O-CB 3.41Å; P115-Q118 PolarHBondContact O-N 2.99Å; V116-Q118 PolarHBondContact O-N 2.71Å; Q118-S122 PolarHBondContact OE1-OG 3.36Å; Q118-L123 HydrophobicContact CB-CD2 4.19Å; Q118-L123 HydrophobicContact CB-CG 4.4Å
119T96.9Very high96.9Very high72 Ų7253.5 Ų53.544%0.44229%0.288SS..BIsolated β-bridgetrans-75156.1172.559.90000110.5S121 S122 L123T119-S121 VanDerWaalsContact C-N 3.25Å; T119-S121 PolarHBondContact O-N 3.48Å; T119-S122 WeakPolarHBondContact O-CB 3.49Å; T119-S122 PolarHBondContact O-N 3.09Å; T119-S122 WeakPolarHBondContact OG1-CB 3.48Å; T119-S122 PolarHBondContact OG1-N 3.43Å; T119-L123 PolarHBondContact O-N 3.19Å
120L97.5Very high96.9Very high7 Ų755 Ų554%0.03730%0.296CS..Hα-helixtrans-56.6-38.9175.6-65.1171.6000112.3F45 L53 L56 S122 L123 Y124 L302 F305 V306F45-L120 HydrophobicContact CB-CD2 4.04Å; F45-L120 HydrophobicContact CD1-CD2 4.16Å; F45-L120 HydrophobicContact CD2-CD2 4.43Å; F45-L120 HydrophobicContact CG-CD2 3.99Å; L53-L120 HydrophobicContact CD2-CD1 3.77Å; L56-L120 HydrophobicContact CD1-CB 3.52Å; L56-L120 HydrophobicContact CD1-CD1 4.36Å; L120-S122 VanDerWaalsContact C-N 3.32Å; L120-S122 PolarHBondContact O-N 2.93Å; L120-L123 PolarHBondContact O-N 3.48Å; L120-Y124 WeakPolarHBondContact O-CB 3.45Å; L120-Y124 PolarHBondContact O-N 2.85Å; L120-L302 HydrophobicContact CD2-CD2 3.76Å; L120-F305 HydrophobicContact CD1-CD1 4.1Å; L120-F305 HydrophobicContact CD1-CE1 3.98Å; L120-F305 HydrophobicContact CD2-CD1 4.23Å; L120-F305 HydrophobicContact CD2-CE1 4.42Å; L120-V306 HydrophobicContact CD1-CG2 4.04Å
121S96.6Very high97Very high50 Ų5053.1 Ų53.135%0.3529%0.286SS..Hα-helixtrans-63-35.5175.1-46.30000113.1T119 A125T119-S121 VanDerWaalsContact C-N 3.25Å; T119-S121 PolarHBondContact O-N 3.48Å; S121-A125 WeakPolarHBondContact O-CB 3.31Å; S121-A125 PolarHBondContact O-N 3.5Å
122S97.2Very high97.1Very high41 Ų4150 Ų5029%0.28728%0.281SS..Hα-helixtrans-69.1-42.3175-164.50000111.3Q118 T119 L120 Y124 A125 I126Q118-S122 PolarHBondContact OE1-OG 3.36Å; T119-S122 WeakPolarHBondContact O-CB 3.49Å; T119-S122 PolarHBondContact O-N 3.09Å; T119-S122 WeakPolarHBondContact OG1-CB 3.48Å; T119-S122 PolarHBondContact OG1-N 3.43Å; L120-S122 VanDerWaalsContact C-N 3.32Å; L120-S122 PolarHBondContact O-N 2.93Å; S122-Y124 PolarHBondContact O-N 2.94Å; S122-A125 PolarHBondContact O-N 2.93Å; S122-I126 VanDerWaalsContact O-CG1 3.31Å; S122-I126 WeakPolarHBondContact O-CG1 3.31Å; S122-I126 PolarHBondContact O-N 3.42Å
123L98Very high97.2Very high0 Ų052.2 Ų52.20%027%0.273CS..Hα-helixtrans-62-43.2175.3-63.6178.1000111.6F45 W109 Q118 T119 L120 A125 I126 I127 L302F45-L123 HydrophobicContact CD1-CD1 3.83Å; F45-L123 HydrophobicContact CE1-CD1 3.46Å; F45-L123 VanDerWaalsContact CE1-CD1 3.46Å; F45-L123 HydrophobicContact CZ-CD1 4.42Å; W109-L123 HydrophobicContact CZ2-CD1 4.1Å; Q118-L123 HydrophobicContact CB-CD2 4.19Å; Q118-L123 HydrophobicContact CB-CG 4.4Å; T119-L123 PolarHBondContact O-N 3.19Å; L120-L123 PolarHBondContact O-N 3.48Å; L123-A125 VanDerWaalsContact C-N 3.34Å; L123-A125 PolarHBondContact O-N 3.23Å; L123-I126 PolarHBondContact O-N 2.69Å; L123-I127 VanDerWaalsContact O-CG1 3.32Å; L123-I127 WeakPolarHBondContact O-CG1 3.37Å; L123-I127 PolarHBondContact O-N 2.64Å; L123-L302 HydrophobicContact CB-CD1 4.24Å; L123-L302 HydrophobicContact CD1-CD2 4.17Å
124Y98Very high97.4Very high51 Ų5149.1 Ų49.120%0.226%0.26CS..Hα-helixtrans-54.3-49.9171.3167.1-90.4000111.4E59 L60 L63 L120 S122 I126 I127 S128E59-Y124 HydrophobicContact CB-CD2 4.42Å; E59-Y124 HydrophobicContact CB-CE2 3.77Å; L60-Y124 HydrophobicContact CD2-CD2 3.93Å; L60-Y124 HydrophobicContact CG-CD2 4.36Å; L63-Y124 HydrophobicContact CB-CD2 4.36Å; L63-Y124 HydrophobicContact CB-CE2 3.71Å; L63-Y124 HydrophobicContact CD2-CD2 3.42Å; L63-Y124 VanDerWaalsContact CD2-CD2 3.42Å; L63-Y124 HydrophobicContact CD2-CE2 3.49Å; L63-Y124 VanDerWaalsContact CD2-CE2 3.49Å; L63-Y124 HydrophobicContact CD2-CG 4.3Å; L63-Y124 HydrophobicContact CG-CD2 4.49Å; L63-Y124 HydrophobicContact CG-CE2 4.13Å; L120-Y124 WeakPolarHBondContact O-CB 3.45Å; L120-Y124 PolarHBondContact O-N 2.85Å; S122-Y124 PolarHBondContact O-N 2.94Å; Y124-I126 PolarHBondContact O-N 2.73Å; Y124-I127 PolarHBondContact O-N 2.88Å; Y124-S128 WeakPolarHBondContact O-CB 3.38Å; Y124-S128 PolarHBondContact O-N 3.4Å
125A98.1Very high97.4Very high49 Ų4949.6 Ų49.641%0.40526%0.263SS..Hα-helixtrans-61.9-45-178.900000112.1S121 S122 L123 I127 S128 E129S121-A125 WeakPolarHBondContact O-CB 3.31Å; S121-A125 PolarHBondContact O-N 3.5Å; S122-A125 PolarHBondContact O-N 2.93Å; L123-A125 VanDerWaalsContact C-N 3.34Å; L123-A125 PolarHBondContact O-N 3.23Å; A125-I127 PolarHBondContact O-N 3.28Å; A125-S128 PolarHBondContact O-N 2.84Å; A125-E129 WeakPolarHBondContact O-CB 3.4Å; A125-E129 PolarHBondContact O-N 2.86Å
126I98Very high97.6Very high51 Ų5150.3 Ų50.326%0.26227%0.269SS..Hα-helixtrans-58.7-48.8177.7-68.8165.3000110.9Y114 S122 L123 Y124 Q130Y114-I126 HydrophobicContact CD1-CG2 4.03Å; Y114-I126 HydrophobicContact CE1-CG2 4.05Å; S122-I126 VanDerWaalsContact O-CG1 3.31Å; S122-I126 WeakPolarHBondContact O-CG1 3.31Å; S122-I126 PolarHBondContact O-N 3.42Å; L123-I126 PolarHBondContact O-N 2.69Å; Y124-I126 PolarHBondContact O-N 2.73Å; I126-Q130 WeakPolarHBondContact O-CB 3.36Å; I126-Q130 PolarHBondContact O-N 3.39Å
127I98.4Very high97.7Very high0 Ų052.2 Ų52.20%028%0.279CS..Hα-helixtrans-68-41.4-178.4-61.8165.2000110.8Y114 L123 Y124 A125 Q130 L131 A295 H298 I299 L302Y114-I127 HydrophobicContact CD1-CD1 4.32Å; Y114-I127 HydrophobicContact CD1-CG1 3.79Å; Y114-I127 HydrophobicContact CE1-CD1 4.2Å; Y114-I127 HydrophobicContact CE1-CG1 3.34Å; L123-I127 VanDerWaalsContact O-CG1 3.32Å; L123-I127 WeakPolarHBondContact O-CG1 3.37Å; L123-I127 PolarHBondContact O-N 2.64Å; Y124-I127 PolarHBondContact O-N 2.88Å; A125-I127 PolarHBondContact O-N 3.28Å; I127-Q130 PolarHBondContact O-N 3.07Å; I127-L131 HydrophobicContact CG2-CD1 3.99Å; I127-L131 HydrophobicContact CG2-CG 4.43Å; I127-L131 WeakPolarHBondContact O-CB 3.34Å; I127-L131 WeakPolarHBondContact O-CG 3.3Å; I127-L131 PolarHBondContact O-N 3.03Å; I127-A295 HydrophobicContact CG2-CB 3.87Å; I127-H298 HydrophobicContact CD1-CB 4.17Å; I127-I299 HydrophobicContact CD1-CG1 4.37Å; I127-I299 HydrophobicContact CG2-CD1 3.62Å; I127-I299 HydrophobicContact CG2-CG1 3.68Å; I127-L302 HydrophobicContact CD1-CD1 3.74Å
128S98.5Very high98Very high28 Ų2844.4 Ų44.420%0.19625%0.245CC..Hα-helixtrans-61.4-43.4177.9-174.60000112.2Y124 A125 L131 T132Y124-S128 WeakPolarHBondContact O-CB 3.38Å; Y124-S128 PolarHBondContact O-N 3.4Å; A125-S128 PolarHBondContact O-N 2.84Å; S128-L131 PolarHBondContact O-N 2.98Å; S128-T132 WeakPolarHBondContact O-CB 3.33Å; S128-T132 PolarHBondContact O-N 2.7Å; S128-T132 PolarHBondContact O-OG1 2.97Å
129E98.4Very high98.1Very high145 Ų14547.3 Ų47.368%0.67826%0.257SS*.Hα-helixtrans-64.5-44.7175.9-174177.7-174.300111.5A125 L131 T132 K133A125-E129 WeakPolarHBondContact O-CB 3.4Å; A125-E129 PolarHBondContact O-N 2.86Å; E129-L131 PolarHBondContact O-N 3.07Å; E129-T132 PolarHBondContact O-N 2.84Å; E129-K133 PolarHBondContact O-N 3.36Å
130Q98.2Very high98.2Very high40 Ų4046.7 Ų46.719%0.18726%0.259CS..Hα-helixtrans-55.9-49.6175.3175.9178.1-5.300111.5Y114 I126 I127 K133 V134 E291Y114-Q130 PolarHBondContact OH-OE1 3.44Å; I126-Q130 WeakPolarHBondContact O-CB 3.36Å; I126-Q130 PolarHBondContact O-N 3.39Å; I127-Q130 PolarHBondContact O-N 3.07Å; Q130-K133 PolarHBondContact O-N 3.44Å; Q130-V134 WeakPolarHBondContact O-CG2 3.2Å; Q130-V134 PolarHBondContact O-N 3.34Å; Q130-V134 VanDerWaalsContact O-N 3.09Å; Q130-E291 PolarHBondContact NE2-OE2 2.92Å
131L98.6Very high98.2Very high0 Ų050.2 Ų50.20%027%0.274CS..Hα-helixtrans-63.7-41.2179.5-77172000112.2L63 Y66 A67 I70 I127 S128 E129 K133 V134 D135 A292 A295 I299L63-L131 HydrophobicContact CD1-CD1 3.95Å; Y66-L131 HydrophobicContact CE1-CB 4.32Å; A67-L131 HydrophobicContact CB-CD1 3.49Å; A67-L131 VanDerWaalsContact CB-CD1 3.49Å; A67-L131 HydrophobicContact CB-CD2 4.27Å; I70-L131 HydrophobicContact CD1-CB 3.71Å; I70-L131 HydrophobicContact CD1-CD2 4.21Å; I70-L131 HydrophobicContact CD1-CG 4.47Å; I70-L131 WeakPolarHBondContact CD1-O 3.4Å; I70-L131 HydrophobicContact CG2-CD2 4.48Å; I127-L131 HydrophobicContact CG2-CD1 3.99Å; I127-L131 HydrophobicContact CG2-CG 4.43Å; I127-L131 WeakPolarHBondContact O-CB 3.34Å; I127-L131 WeakPolarHBondContact O-CG 3.3Å; I127-L131 PolarHBondContact O-N 3.03Å; S128-L131 PolarHBondContact O-N 2.98Å; E129-L131 PolarHBondContact O-N 3.07Å; L131-K133 VanDerWaalsContact C-N 3.33Å; L131-K133 PolarHBondContact O-N 3.31Å; L131-V134 PolarHBondContact O-N 2.67Å; L131-D135 PolarHBondContact O-N 2.86Å; L131-A292 HydrophobicContact CD2-CB 4.24Å; L131-A295 HydrophobicContact CD2-CB 4.04Å; L131-A295 HydrophobicContact CG-CB 4.2Å; L131-I299 HydrophobicContact CD1-CD1 3.61Å
132T98.6Very high98.3Very high65 Ų6548.9 Ų48.940%0.39927%0.265SS..Hα-helixtrans-62.1-40.9177-60.80000111.8S128 E129 D135 S136S128-T132 WeakPolarHBondContact O-CB 3.33Å; S128-T132 PolarHBondContact O-N 2.7Å; S128-T132 PolarHBondContact O-OG1 2.97Å; E129-T132 PolarHBondContact O-N 2.84Å; T132-D135 PolarHBondContact O-N 3.03Å; T132-S136 PolarHBondContact O-N 3.43Å; T132-S136 PolarHBondContact O-OG 3.02Å
133K98.5Very high98.3Very high137 Ų13753.5 Ų53.560%0.59628%0.282SS*.Hα-helixtrans-63.5-40.9174.8-174.7175.9-178.8176.60112.3E129 Q130 L131 S136 D137E129-K133 PolarHBondContact O-N 3.36Å; Q130-K133 PolarHBondContact O-N 3.44Å; L131-K133 VanDerWaalsContact C-N 3.33Å; L131-K133 PolarHBondContact O-N 3.31Å; K133-S136 WeakPolarHBondContact CA-OG 3.5Å; K133-S136 PolarHBondContact O-N 3.25Å; K133-S136 PolarHBondContact O-OG 2.82Å; K133-D137 VanDerWaalsContact O-CB 3.3Å; K133-D137 WeakPolarHBondContact O-CB 3.48Å; K133-D137 PolarHBondContact O-N 3.32Å
134V98.6Very high98.2Very high5 Ų556.5 Ų56.53%0.0330%0.303CS..Hα-helixtrans-61.5-44.9174.9174.60000111I70 V74 Q130 L131 L138 W284 N288I70-V134 HydrophobicContact CG2-CB 4.26Å; I70-V134 HydrophobicContact CG2-CG1 3.78Å; V74-V134 HydrophobicContact CG2-CG1 3.91Å; Q130-V134 WeakPolarHBondContact O-CG2 3.2Å; Q130-V134 PolarHBondContact O-N 3.34Å; Q130-V134 VanDerWaalsContact O-N 3.09Å; L131-V134 PolarHBondContact O-N 2.67Å; V134-L138 WeakPolarHBondContact O-CB 3.46Å; V134-L138 PolarHBondContact O-N 3.5Å; V134-W284 HydrophobicContact CG1-CH2 4.39Å; V134-N288 HydrophobicContact CG1-CB 4.1Å; V134-N288 HydrophobicContact CG2-CB 4.46Å
135D98.5Very high98.2Very high11 Ų1154.4 Ų54.46%0.05930%0.295CS..Hα-helixtrans-64.8-43179-172.272.6000112.1I70 K73 L131 T132 L138 K139I70-D135 HydrophobicContact CD1-CB 4.09Å; I70-D135 HydrophobicContact CG1-CB 4.06Å; K73-D135 IonicContact NZ-OD1 2.89Å; K73-D135 PolarHBondContact NZ-OD1 3.28Å; L131-D135 PolarHBondContact O-N 2.86Å; T132-D135 PolarHBondContact O-N 3.03Å; D135-L138 PolarHBondContact O-N 3.38Å; D135-K139 WeakPolarHBondContact O-CG 3.15Å; D135-K139 PolarHBondContact O-N 2.97Å; D135-K139 VanDerWaalsContact O-N 3.07Å; D135-K139 WeakPolarHBondContact OD2-CE 3.18Å; D135-K139 IonicContact OD2-NZ 3.11Å; D135-K139 PolarHBondContact OD2-NZ 3.49Å
136S98.5Very high98.2Very high59 Ų5955.8 Ų55.841%0.41330%0.296SS..Hα-helixtrans-64.8-45.4177.763.20000112.4T132 K133 K139 A140T132-S136 PolarHBondContact O-N 3.43Å; T132-S136 PolarHBondContact O-OG 3.02Å; K133-S136 WeakPolarHBondContact CA-OG 3.5Å; K133-S136 PolarHBondContact O-N 3.25Å; K133-S136 PolarHBondContact O-OG 2.82Å; S136-K139 PolarHBondContact O-N 3.45Å; S136-A140 PolarHBondContact O-N 3.09Å
137D98.6Very high98.1Very high53 Ų5357.3 Ų57.328%0.28331%0.307SS..Hα-helixtrans-67.3-38.3179.8-77-2.7000111.2K133 A140 K141 W284K133-D137 VanDerWaalsContact O-CB 3.3Å; K133-D137 WeakPolarHBondContact O-CB 3.48Å; K133-D137 PolarHBondContact O-N 3.32Å; D137-A140 PolarHBondContact O-N 2.92Å; D137-K141 VanDerWaalsContact O-CB 3.28Å; D137-K141 WeakPolarHBondContact O-CB 3.37Å; D137-K141 VanDerWaalsContact O-CG 3.24Å; D137-K141 WeakPolarHBondContact O-CG 3.43Å; D137-K141 PolarHBondContact O-N 3.28Å; D137-W284 HydrophobicContact CB-CH2 3.9Å; D137-W284 HydrophobicContact CB-CZ2 3.33Å
138L98.6Very high97.9Very high10 Ų1058.1 Ų58.15%0.05231%0.311CS..Hα-helixtrans-60.2-47174.7177.264.8000110.8K73 V74 Y77 V134 D135 S142 W284 L285K73-L138 HydrophobicContact CB-CD2 3.84Å; V74-L138 HydrophobicContact CG2-CD2 3.92Å; Y77-L138 HydrophobicContact CD1-CD1 3.77Å; Y77-L138 HydrophobicContact CG-CD1 4.27Å; V134-L138 WeakPolarHBondContact O-CB 3.46Å; V134-L138 PolarHBondContact O-N 3.5Å; D135-L138 PolarHBondContact O-N 3.38Å; L138-S142 WeakPolarHBondContact O-CB 3.3Å; L138-S142 PolarHBondContact O-N 3.35Å; L138-S142 PolarHBondContact O-OG 2.97Å; L138-W284 HydrophobicContact CB-CH2 3.92Å; L138-W284 HydrophobicContact CB-CZ3 4.11Å; L138-W284 HydrophobicContact CD1-CZ3 4.05Å; L138-L285 HydrophobicContact CD1-CD2 3.62Å
139K98.3Very high97.8Very high119 Ų11959.9 Ų59.952%0.51732%0.316SS..Hα-helixtrans-59.5-49.2177.7-76.3167.7175.31630111.7D135 S136 S142 Q143D135-K139 WeakPolarHBondContact O-CG 3.15Å; D135-K139 PolarHBondContact O-N 2.97Å; D135-K139 VanDerWaalsContact O-N 3.07Å; D135-K139 WeakPolarHBondContact OD2-CE 3.18Å; D135-K139 IonicContact OD2-NZ 3.11Å; D135-K139 PolarHBondContact OD2-NZ 3.49Å; S136-K139 PolarHBondContact O-N 3.45Å; K139-S142 PolarHBondContact O-OG 2.96Å; K139-Q143 VanDerWaalsContact O-CB 3.3Å; K139-Q143 WeakPolarHBondContact O-CB 3.38Å; K139-Q143 PolarHBondContact O-N 3.48Å
140A98.3Very high97.6Very high60 Ų6054.2 Ų54.250%0.49630%0.296SS..Hα-helixtrans-63-46.7-179.800000112.3S136 D137 S144S136-A140 PolarHBondContact O-N 3.09Å; D137-A140 PolarHBondContact O-N 2.92Å; A140-S144 WeakPolarHBondContact O-CB 3.43Å; A140-S144 PolarHBondContact O-N 3.49Å; A140-S144 VanDerWaalsContact O-N 3.09Å
141K98Very high97.4Very high80 Ų8055 Ų5535%0.34831%0.305SS..Hα-helixtrans-67.8-42.1-179.7-71.5177.6-170.1-58.20112.3D137 S144 Y145 L281 W284D137-K141 VanDerWaalsContact O-CB 3.28Å; D137-K141 WeakPolarHBondContact O-CB 3.37Å; D137-K141 VanDerWaalsContact O-CG 3.24Å; D137-K141 WeakPolarHBondContact O-CG 3.43Å; D137-K141 PolarHBondContact O-N 3.28Å; K141-S144 PolarHBondContact O-N 2.93Å; K141-Y145 WeakPolarHBondContact O-CB 3.15Å; K141-Y145 PolarHBondContact O-N 3.03Å; K141-L281 HydrophobicContact CB-CD1 3.84Å; K141-L281 HydrophobicContact CD-CD1 4.39Å; K141-W284 HydrophobicContact CD-CD2 3.53Å; K141-W284 HydrophobicContact CD-CE3 3.79Å; K141-W284 HydrophobicContact CD-CG 3.88Å; K141-W284 HydrophobicContact CD-CZ2 4.35Å; K141-W284 HydrophobicContact CD-CZ3 4.29Å; K141-W284 VanDerWaalsContact CE-CE2 3.49Å
142S97.7Very high97.1Very high22 Ų2255.4 Ų55.415%0.15431%0.307CS..Hα-helixtrans-65.8-42.6178.659.90000111.7Y77 L138 K139 S144 Y145 N146Y77-S142 VanDerWaalsContact CE1-CB 3.47Å; Y77-S142 VanDerWaalsContact OH-CA 3.3Å; Y77-S142 WeakPolarHBondContact OH-CA 3.5Å; Y77-S142 PolarHBondContact OH-O 3.09Å; L138-S142 WeakPolarHBondContact O-CB 3.3Å; L138-S142 PolarHBondContact O-N 3.35Å; L138-S142 PolarHBondContact O-OG 2.97Å; K139-S142 PolarHBondContact O-OG 2.96Å; S142-S144 PolarHBondContact O-N 3Å; S142-Y145 PolarHBondContact O-N 3.31Å; S142-N146 WeakPolarHBondContact O-CB 3.3Å; S142-N146 PolarHBondContact O-N 3.38Å; S142-N146 PolarHBondContact O-ND2 3.48Å; S142-N146 PolarHBondContact O-OD1 3.22Å
143Q97.7Very high96.8Very high138 Ų13858.2 Ų58.265%0.64532%0.316SS*.Hα-helixtrans-60.7-45.9175.3-174.7177.98.200111.9K139 T147K139-Q143 VanDerWaalsContact O-CB 3.3Å; K139-Q143 WeakPolarHBondContact O-CB 3.38Å; K139-Q143 PolarHBondContact O-N 3.48Å; Q143-T147 WeakPolarHBondContact O-CB 3.08Å; Q143-T147 PolarHBondContact O-N 2.83Å; Q143-T147 PolarHBondContact O-OG1 2.92Å
144S96.7Very high96.4Very high64 Ų6455.6 Ų55.645%0.44831%0.308SS..Hα-helixtrans-58.6-50.6177.5-178.80000111.7A140 K141 S142 T147 L148A140-S144 WeakPolarHBondContact O-CB 3.43Å; A140-S144 PolarHBondContact O-N 3.49Å; A140-S144 VanDerWaalsContact O-N 3.09Å; K141-S144 PolarHBondContact O-N 2.93Å; S142-S144 PolarHBondContact O-N 3Å; S144-T147 PolarHBondContact O-N 3.02Å; S144-L148 PolarHBondContact O-N 3.39Å
145Y97.7Very high95.9Very high6 Ų656.4 Ų56.42%0.02431%0.312CS..Hα-helixtrans-70.5-38.6-177.7-172.4-102000112.8V81 K141 S142 L148 K149 K274 Q277 F278 L281V81-Y145 HydrophobicContact CG1-CE1 4.38Å; V81-Y145 HydrophobicContact CG2-CD1 4.3Å; V81-Y145 HydrophobicContact CG2-CE1 4.24Å; K141-Y145 WeakPolarHBondContact O-CB 3.15Å; K141-Y145 PolarHBondContact O-N 3.03Å; S142-Y145 PolarHBondContact O-N 3.31Å; Y145-L148 PolarHBondContact O-N 2.95Å; Y145-K149 WeakPolarHBondContact O-CB 3.22Å; Y145-K149 PolarHBondContact O-N 3.4Å; Y145-K274 HydrophobicContact CE2-CG 4.21Å; Y145-Q277 HydrophobicContact CD2-CB 4.08Å; Y145-Q277 HydrophobicContact CE2-CB 4.38Å; Y145-F278 HydrophobicContact CE2-CB 4.3Å; Y145-L281 HydrophobicContact CD1-CD2 3.69Å; Y145-L281 HydrophobicContact CD2-CD2 3.76Å; Y145-L281 HydrophobicContact CE1-CD2 4.28Å; Y145-L281 HydrophobicContact CE2-CD2 4.35Å; Y145-L281 HydrophobicContact CG-CD2 3.39Å
146N96.9Very high95.4Very high79 Ų7959.7 Ų59.742%0.42233%0.328SS..Hα-helixtrans-68.2-35177.3-68.1-13.8000111.9Y77 S142 K149 G150Y77-N146 PolarHBondContact OH-OD1 3.43Å; S142-N146 WeakPolarHBondContact O-CB 3.3Å; S142-N146 PolarHBondContact O-N 3.38Å; S142-N146 PolarHBondContact O-ND2 3.48Å; S142-N146 PolarHBondContact O-OD1 3.22Å; N146-K149 PolarHBondContact O-N 3.47Å; N146-G150 PolarHBondContact O-N 3.47Å
147T96.6Very high94.8Very high83 Ų8365.1 Ų65.151%0.50934%0.339SS..Hα-helixtrans-62.5-48173.6-58.60000110.3Q143 S144 K149 G150 C151Q143-T147 WeakPolarHBondContact O-CB 3.08Å; Q143-T147 PolarHBondContact O-N 2.83Å; Q143-T147 PolarHBondContact O-OG1 2.92Å; S144-T147 PolarHBondContact O-N 3.02Å; T147-K149 VanDerWaalsContact C-N 3.35Å; T147-K149 PolarHBondContact O-N 2.96Å; T147-G150 PolarHBondContact O-N 3.17Å; T147-C151 PolarHBondContact O-N 3.41Å; T147-C151 PolarHBondContact O-SG 2.98Å; T147-C151 VanDerWaalsContact O-SG 3.34Å
148L95.3Very high94.1Very high16 Ų1668.4 Ų68.48%0.08435%0.351CS..Hα-helixtrans-57.8-46.2175.7175.758.1000112.1S144 Y145 G150 C151 L152 L270 D273 K274 Q277S144-L148 PolarHBondContact O-N 3.39Å; Y145-L148 PolarHBondContact O-N 2.95Å; L148-G150 PolarHBondContact O-N 3.47Å; L148-C151 PolarHBondContact O-N 3.44Å; L148-L152 PolarHBondContact O-N 3.4Å; L148-L270 HydrophobicContact CD1-CB 4.27Å; L148-L270 HydrophobicContact CD1-CD2 3.54Å; L148-L270 HydrophobicContact CD1-CG 4.5Å; L148-D273 HydrophobicContact CD1-CB 4.04Å; L148-D273 HydrophobicContact CD2-CB 4.03Å; L148-K274 HydrophobicContact CD2-CB 4.23Å; L148-K274 HydrophobicContact CG-CB 4.4Å; L148-Q277 HydrophobicContact CD2-CG 4.35Å
149K95.2Very high93.4Very high66 Ų6669.7 Ų69.729%0.28736%0.357SS..Hα-helixtrans-61.7-42.5175.8-177.6173.91721690112.1E83 Y145 N146 T147 L152 Q153E83-K149 WeakPolarHBondContact OE1-CE 3.37Å; E83-K149 IonicContact OE1-NZ 3.87Å; E83-K149 PolarHBondContact OE1-NZ 2.94Å; Y145-K149 WeakPolarHBondContact O-CB 3.22Å; Y145-K149 PolarHBondContact O-N 3.4Å; N146-K149 PolarHBondContact O-N 3.47Å; T147-K149 VanDerWaalsContact C-N 3.35Å; T147-K149 PolarHBondContact O-N 2.96Å; K149-L152 PolarHBondContact O-N 3.02Å; K149-Q153 WeakPolarHBondContact O-CB 3.49Å; K149-Q153 PolarHBondContact O-N 3.04Å
150G94.5Very high92.7Very high25 Ų2568 Ų6826%0.25836%0.356SS..Hα-helixtrans-66-39.5177.800000113.1N146 T147 L148 N154N146-G150 PolarHBondContact O-N 3.47Å; T147-G150 PolarHBondContact O-N 3.17Å; L148-G150 PolarHBondContact O-N 3.47Å; G150-N154 WeakPolarHBondContact O-CB 3.22Å; G150-N154 VanDerWaalsContact O-CG 3.3Å; G150-N154 PolarHBondContact O-N 3.42Å; G150-N154 PolarHBondContact O-ND2 3.22Å; G150-N154 VanDerWaalsContact O-ND2 3.07Å
151C94.1Very high92Very high58 Ų5867.6 Ų67.639%0.39236%0.358SS..Hα-helixtrans-61.2-48.6172.7-71.30000111.4T147 L148 N154 L155 L270T147-C151 PolarHBondContact O-N 3.41Å; T147-C151 PolarHBondContact O-SG 2.98Å; T147-C151 VanDerWaalsContact O-SG 3.34Å; L148-C151 PolarHBondContact O-N 3.44Å; C151-N154 PolarHBondContact O-N 2.97Å; C151-L155 PolarHBondContact O-N 3.18Å; C151-L155 VanDerWaalsContact O-N 3.13Å; C151-L270 HydrophobicContact CB-CD1 4.2Å
152L93Very high91.7Very high8 Ų865.9 Ų65.94%0.04236%0.356CS..Hα-helixtrans-60.1-49.8178.4-17469.7000111.4L148 K149 N154 L155 E156 L267 L270 E271 K274L148-L152 PolarHBondContact O-N 3.4Å; K149-L152 PolarHBondContact O-N 3.02Å; L152-N154 VanDerWaalsContact C-N 3.26Å; L152-N154 PolarHBondContact O-N 3.35Å; L152-L155 PolarHBondContact O-N 3.35Å; L152-L155 VanDerWaalsContact O-N 3.08Å; L152-E156 HydrophobicContact CG-CG 4.38Å; L152-E156 WeakPolarHBondContact O-CG 3.28Å; L152-E156 PolarHBondContact O-N 2.83Å; L152-L267 HydrophobicContact CD1-CD1 4.14Å; L152-L270 HydrophobicContact CD1-CB 3.98Å; L152-E271 HydrophobicContact CD1-CG 3.69Å; L152-E271 HydrophobicContact CD2-CG 4.37Å; L152-K274 HydrophobicContact CD2-CD 3.81Å
153Q91.5Very high91.5Very high124 Ų12464.9 Ų64.958%0.57935%0.349SS*.Hα-helixtrans-59.9-36178.9-172.5-179.81200112.4K149 R157K149-Q153 WeakPolarHBondContact O-CB 3.49Å; K149-Q153 PolarHBondContact O-N 3.04Å; Q153-R157 VanDerWaalsContact O-CB 3.31Å; Q153-R157 WeakPolarHBondContact O-CB 3.37Å; Q153-R157 PolarHBondContact O-N 3.21Å
154N90.2Very high91.3Very high81 Ų8161.9 Ų61.943%0.43334%0.337SS..Hα-helixtrans-67.2-38.1176.3-82-38.6000112.6G150 C151 L152 R157 K158G150-N154 WeakPolarHBondContact O-CB 3.22Å; G150-N154 VanDerWaalsContact O-CG 3.3Å; G150-N154 PolarHBondContact O-N 3.42Å; G150-N154 PolarHBondContact O-ND2 3.22Å; G150-N154 VanDerWaalsContact O-ND2 3.07Å; C151-N154 PolarHBondContact O-N 2.97Å; L152-N154 VanDerWaalsContact C-N 3.26Å; L152-N154 PolarHBondContact O-N 3.35Å; N154-R157 PolarHBondContact OD1-NH2 2.93Å; N154-K158 WeakPolarHBondContact O-CG 3.44Å; N154-K158 PolarHBondContact O-N 2.94Å
155L87.2Confident91Very high22 Ų2264.1 Ų64.112%0.11535%0.348CS..Hα-helixtrans-71.1-45.5174.9-68-177.6000111.5C151 L152 R157 K158 Q159 E266 L267 L270C151-L155 PolarHBondContact O-N 3.18Å; C151-L155 VanDerWaalsContact O-N 3.13Å; L152-L155 PolarHBondContact O-N 3.35Å; L152-L155 VanDerWaalsContact O-N 3.08Å; L155-R157 PolarHBondContact O-N 3.38Å; L155-K158 WeakPolarHBondContact O-CB 3.29Å; L155-K158 PolarHBondContact O-N 3.27Å; L155-Q159 PolarHBondContact O-N 3.36Å; L155-E266 HydrophobicContact CD1-CG 4.15Å; L155-L267 HydrophobicContact CB-CD1 3.7Å; L155-L267 HydrophobicContact CD1-CD1 4.26Å; L155-L270 HydrophobicContact CD1-CD1 3.53Å
156E88.4Confident90.7Very high81 Ų8166.1 Ų66.138%0.37936%0.356SS..Hα-helixtrans-57.5-39.1175.4-71.6172.516700111.6L152 K158 Q159 T160 L267L152-E156 HydrophobicContact CG-CG 4.38Å; L152-E156 WeakPolarHBondContact O-CG 3.28Å; L152-E156 PolarHBondContact O-N 2.83Å; E156-K158 VanDerWaalsContact C-N 3.35Å; E156-K158 PolarHBondContact O-N 2.98Å; E156-Q159 CarbonylContact O-C 3.54Å; E156-Q159 PolarHBondContact O-N 3.07Å; E156-T160 WeakPolarHBondContact O-CB 3.3Å; E156-T160 WeakPolarHBondContact O-CG2 3.24Å; E156-T160 PolarHBondContact O-N 2.84Å; E156-T160 PolarHBondContact O-OG1 3.22Å; E156-L267 HydrophobicContact CG-CD1 4.39Å
157R86.3Confident90.4Very high173 Ų17365.7 Ų65.765%0.65335%0.351SS*.Hα-helixtrans-65.8-34174.9-173.2176.860.4156.1-3.9112.9Q153 N154 L155 Q159 T160Q153-R157 VanDerWaalsContact O-CB 3.31Å; Q153-R157 WeakPolarHBondContact O-CB 3.37Å; Q153-R157 PolarHBondContact O-N 3.21Å; N154-R157 PolarHBondContact OD1-NH2 2.93Å; L155-R157 PolarHBondContact O-N 3.38Å; R157-Q159 VanDerWaalsContact C-N 3.28Å; R157-T160 WeakPolarHBondContact CA-OG1 3.23Å; R157-T160 PolarHBondContact O-N 3.1Å
158K84.5Confident90.2Very high121 Ų12161.8 Ų61.853%0.52633%0.327SS..Hα-helixtrans-69-32.5174-71175.8179.1-177.10111.5N154 L155 E156 T160 R166 E167N154-K158 WeakPolarHBondContact O-CG 3.44Å; N154-K158 PolarHBondContact O-N 2.94Å; L155-K158 WeakPolarHBondContact O-CB 3.29Å; L155-K158 PolarHBondContact O-N 3.27Å; E156-K158 VanDerWaalsContact C-N 3.35Å; E156-K158 PolarHBondContact O-N 2.98Å; K158-T160 VanDerWaalsContact C-N 3.28Å; K158-T160 PolarHBondContact O-N 2.78Å; K158-R166 VanDerWaalsContact O-CG 3.28Å; K158-R166 WeakPolarHBondContact O-CG 3.45Å; K158-E167 PolarHBondContact O-N 2.94Å
159Q82.6Confident90Very high38 Ų3861.3 Ų61.318%0.17833%0.326CS..THydrogen-bonded Turntrans-82.75.5173.2-64.7-179.7-4.500113.3L155 E156 R157 R166L155-Q159 PolarHBondContact O-N 3.36Å; E156-Q159 CarbonylContact O-C 3.54Å; E156-Q159 PolarHBondContact O-N 3.07Å; R157-Q159 VanDerWaalsContact C-N 3.28Å; Q159-R166 PolarHBondContact O-NE 3.27Å; Q159-R166 PolarHBondContact O-NH1 3.44Å; Q159-R166 PolarHBondContact O-NH2 3.49Å
160T83.6Confident89.7Confident82 Ų8261.2 Ų61.250%0.50333%0.329SS..SBendtrans-134.3153.2178.251.30000110.2E156 R157 K158E156-T160 WeakPolarHBondContact O-CB 3.3Å; E156-T160 WeakPolarHBondContact O-CG2 3.24Å; E156-T160 PolarHBondContact O-N 2.84Å; E156-T160 PolarHBondContact O-OG1 3.22Å; R157-T160 WeakPolarHBondContact CA-OG1 3.23Å; R157-T160 PolarHBondContact O-N 3.1Å; K158-T160 VanDerWaalsContact C-N 3.28Å; K158-T160 PolarHBondContact O-N 2.78Å
161G84.9Confident89.6Confident53 Ų5361.1 Ų61.155%0.54632%0.322SS..SBendtrans114.7-171.2-177.800000113.9
162S91.6Very high89.6Confident43 Ų4359 Ų5930%0.30131%0.307SS..  trans-64.7147.6-175.7174.30000111.9L164 T165 R166S162-L164 PolarHBondContact O-N 2.9Å; S162-L164 PolarHBondContact OG-N 3.34Å; S162-T165 PolarHBondContact O-N 2.94Å; S162-R166 WeakPolarHBondContact O-CB 3.5Å; S162-R166 PolarHBondContact O-N 3.45Å
163L93.8Very high89.6Confident2 Ų264.8 Ų64.81%0.0133%0.332CS..THydrogen-bonded Turntrans-55.1-13.8169.6-73.2174.8000114.2I171 V190 F219 D221 N224 L226 R251L163-I171 HydrophobicContact CD2-CD1 3.62Å; L163-V190 HydrophobicContact CB-CG1 4.09Å; L163-V190 HydrophobicContact CB-CG2 4.16Å; L163-V190 VanDerWaalsContact O-CG2 3.23Å; L163-V190 WeakPolarHBondContact O-CG2 3.49Å; L163-F219 HydrophobicContact CD1-CD1 4.38Å; L163-F219 HydrophobicContact CD2-CD1 3.89Å; L163-F219 HydrophobicContact CG-CD1 4.48Å; L163-D221 WeakPolarHBondContact CB-OD2 3.36Å; L163-D221 HydrophobicContact CD1-CB 4.09Å; L163-D221 HydrophobicContact CG-CB 4.06Å; L163-D221 WeakPolarHBondContact CG-OD2 3.42Å; L163-D221 PolarHBondContact N-OD2 2.72Å; L163-N224 HydrophobicContact CD1-CB 4.23Å; L163-N224 WeakPolarHBondContact CD1-O 3.31Å; L163-L226 HydrophobicContact CD1-CB 4.01Å; L163-L226 HydrophobicContact CD2-CB 4.09Å; L163-L226 HydrophobicContact CD2-CD1 4.33Å; L163-L226 HydrophobicContact CD2-CD2 4.35Å; L163-R251 PolarHBondContact O-NH1 3.18Å
164L92.5Very high89.7Confident75 Ų7565.6 Ų65.639%0.39333%0.33SS..THydrogen-bonded Turntrans-75.2-28.5173.7-65.6171.3000113.5S162 V190 V249 R251S162-L164 PolarHBondContact O-N 2.9Å; S162-L164 PolarHBondContact OG-N 3.34Å; L164-V190 HydrophobicContact CD2-CB 3.97Å; L164-V190 HydrophobicContact CD2-CG1 3.68Å; L164-V190 HydrophobicContact CD2-CG2 4.34Å; L164-V190 HydrophobicContact CG-CG1 4.2Å; L164-V249 HydrophobicContact CD2-CB 3.79Å; L164-V249 HydrophobicContact CD2-CG1 4.01Å; L164-V249 HydrophobicContact CD2-CG2 3.78Å; L164-R251 PolarHBondContact O-NE 2.89Å; L164-R251 PolarHBondContact O-NH1 2.89Å
165T90Very high89.8Confident111 Ų11169.2 Ų69.268%0.68134%0.344SS*.THydrogen-bonded Turntrans-128.1-23.8-170.757.80000114.6S162S162-T165 PolarHBondContact O-N 2.94Å
166R91.6Very high90.2Very high48 Ų4869.4 Ų69.418%0.18134%0.344CS..SBendtrans-62.6148.4-180-169.9-163.9170.9135.20.3111.2K158 Q159 S162 D170 R251K158-R166 VanDerWaalsContact O-CG 3.28Å; K158-R166 WeakPolarHBondContact O-CG 3.45Å; Q159-R166 PolarHBondContact O-NE 3.27Å; Q159-R166 PolarHBondContact O-NH1 3.44Å; Q159-R166 PolarHBondContact O-NH2 3.49Å; S162-R166 WeakPolarHBondContact O-CB 3.5Å; S162-R166 PolarHBondContact O-N 3.45Å; R166-D170 IonicContact CZ-OD2 2.73Å; R166-D170 IonicContact NE-OD1 3.71Å; R166-D170 IonicContact NE-OD2 3.69Å; R166-D170 IonicContact NH2-OD1 2.68Å; R166-D170 IonicContact NH2-OD2 3.79Å; R166-D170 PolarHBondContact NH2-OD2 3.09Å; R166-R251 VanDerWaalsContact O-CZ 3.25Å; R166-R251 PolarHBondContact O-NH1 2.87Å; R166-R251 PolarHBondContact O-NH2 2.97Å
167E90.6Very high90.5Very high70 Ų7066.4 Ų66.433%0.32733%0.33SS..  trans-62.8139.8165.4-169.9166.9177.900110.4K158K158-E167 PolarHBondContact O-N 2.94Å
168L93.4Very high90.8Very high1 Ų161.6 Ų61.61%0.00532%0.316CS..  trans-98.6-12.1-172.2-55.2-179.9000113.2D170 I171 V172 V188 L226 R251 F253L168-D170 PolarHBondContact O-N 3.43Å; L168-D170 VanDerWaalsContact O-N 3.08Å; L168-I171 HydrophobicContact CB-CG1 4.44Å; L168-I171 HydrophobicContact CD2-CD1 3.97Å; L168-I171 VanDerWaalsContact O-CG1 3.24Å; L168-I171 WeakPolarHBondContact O-CG1 3.48Å; L168-I171 PolarHBondContact O-N 3.43Å; L168-V172 HydrophobicContact CB-CG1 4.11Å; L168-V172 WeakPolarHBondContact O-CG1 3.48Å; L168-V172 WeakPolarHBondContact O-CG2 3.41Å; L168-V172 PolarHBondContact O-N 2.97Å; L168-V172 VanDerWaalsContact O-N 3.13Å; L168-V188 HydrophobicContact CD1-CB 4.25Å; L168-V188 HydrophobicContact CD1-CG1 4Å; L168-L226 HydrophobicContact CD1-CD1 4.21Å; L168-L226 HydrophobicContact CD1-CD2 4.38Å; L168-L226 HydrophobicContact CD2-CD1 4.04Å; L168-L226 HydrophobicContact CD2-CD2 3.92Å; L168-R251 HydrophobicContact CD1-CB 4.01Å; L168-R251 HydrophobicContact CD1-CG 4.11Å; L168-F253 HydrophobicContact CB-CD2 3.98Å; L168-F253 HydrophobicContact CB-CE2 3.95Å; L168-F253 HydrophobicContact CB-CG 4.43Å; L168-F253 HydrophobicContact CB-CZ 4.38Å; L168-F253 HydrophobicContact CD1-CB 3.95Å; L168-F253 HydrophobicContact CD1-CD1 4.41Å; L168-F253 HydrophobicContact CD1-CD2 4.15Å; L168-F253 HydrophobicContact CD1-CG 3.9Å; L168-F253 HydrophobicContact CG-CD2 4.38Å
169G91.3Very high91.1Very high6 Ų658.4 Ų58.46%0.06231%0.307CS..THydrogen-bonded Turntrans-58.9-25.9-169.800000114.9I260G169-I260 VanDerWaalsContact O-CG2 3.24Å; G169-I260 WeakPolarHBondContact O-CG2 3.3Å
170D88Confident91.4Very high63 Ų6364.1 Ų64.134%0.33734%0.339SS..THydrogen-bonded Turntrans-88.7-13.3179.965.3-25.6000114.3R166 L168R166-D170 IonicContact CZ-OD2 2.73Å; R166-D170 IonicContact NE-OD1 3.71Å; R166-D170 IonicContact NE-OD2 3.69Å; R166-D170 IonicContact NH2-OD1 2.68Å; R166-D170 IonicContact NH2-OD2 3.79Å; R166-D170 PolarHBondContact NH2-OD2 3.09Å; L168-D170 PolarHBondContact O-N 3.43Å; L168-D170 VanDerWaalsContact O-N 3.08Å
171I92.1Very high91.8Very high24 Ų2461.7 Ų61.712%0.12333%0.326CS..THydrogen-bonded Turntrans-113.3-8-178.959.6173.5000113.8L163 L168 I218 F219 L226L163-I171 HydrophobicContact CD2-CD1 3.62Å; L168-I171 HydrophobicContact CB-CG1 4.44Å; L168-I171 HydrophobicContact CD2-CD1 3.97Å; L168-I171 VanDerWaalsContact O-CG1 3.24Å; L168-I171 WeakPolarHBondContact O-CG1 3.48Å; L168-I171 PolarHBondContact O-N 3.43Å; I171-I218 WeakPolarHBondContact O-CG2 3.4Å; I171-F219 HydrophobicContact CB-CB 4.36Å; I171-F219 HydrophobicContact CB-CD2 3.97Å; I171-F219 HydrophobicContact CB-CG 4.19Å; I171-F219 HydrophobicContact CD1-CB 4.07Å; I171-F219 HydrophobicContact CD1-CD1 4.19Å; I171-F219 HydrophobicContact CD1-CG 4.04Å; I171-F219 HydrophobicContact CG2-CD2 3.81Å; I171-F219 HydrophobicContact CG2-CE2 3.9Å; I171-F219 HydrophobicContact CG2-CG 4.26Å; I171-F219 HydrophobicContact CG2-CZ 4.42Å; I171-L226 HydrophobicContact CD1-CD2 3.73Å; I171-L226 HydrophobicContact CG1-CD2 4.25Å
172V94.3Very high92.2Very high12 Ų1266 Ų667%0.07333%0.331CS..  trans-100.6157.6175.5-61.20000112.1L168 F177 I218 L226 F253 Y255 I260L168-V172 HydrophobicContact CB-CG1 4.11Å; L168-V172 WeakPolarHBondContact O-CG1 3.48Å; L168-V172 WeakPolarHBondContact O-CG2 3.41Å; L168-V172 PolarHBondContact O-N 2.97Å; L168-V172 VanDerWaalsContact O-N 3.13Å; V172-F177 HydrophobicContact CB-CE2 3.74Å; V172-F177 HydrophobicContact CB-CZ 4.15Å; V172-F177 HydrophobicContact CG1-CE2 4.04Å; V172-F177 HydrophobicContact CG1-CZ 3.97Å; V172-F177 HydrophobicContact CG2-CE2 4.29Å; V172-I218 HydrophobicContact CG1-CD1 4.23Å; V172-I218 HydrophobicContact CG1-CG2 4.37Å; V172-L226 HydrophobicContact CG1-CD2 4.38Å; V172-F253 HydrophobicContact CG1-CE1 4.47Å; V172-F253 HydrophobicContact CG2-CE1 4.11Å; V172-F253 HydrophobicContact CG2-CZ 3.75Å; V172-Y255 HydrophobicContact CG2-CD2 3.94Å; V172-Y255 HydrophobicContact CG2-CE2 3.9Å; V172-I260 HydrophobicContact CG2-CD1 4.2Å
173K93.5Very high92.4Very high131 Ų13170.6 Ų70.657%0.5734%0.343SS*.  trans-126.8152.5176.3-54.9179-178.41730111.2E175 Q176 F177K173-E175 VanDerWaalsContact CB-OE2 3.28Å; K173-E175 WeakPolarHBondContact CB-OE2 3.27Å; K173-E175 PolarHBondContact O-N 3.03Å; K173-Q176 HydrophobicContact CB-CG 4.47Å; K173-Q176 WeakPolarHBondContact O-CB 3.5Å; K173-Q176 PolarHBondContact O-N 3.34Å; K173-Q176 VanDerWaalsContact O-N 3.14Å; K173-F177 WeakPolarHBondContact O-CD2 3.5Å
174R93.2Very high92.5Very high140 Ų14072.4 Ų72.453%0.52835%0.353SS..G310 helixtrans-54.9-39.5-178.4-172.6174.4177169.51.5113.4Q176 F177 Y255R174-Q176 PolarHBondContact O-N 3.22Å; R174-Q176 VanDerWaalsContact O-N 3.14Å; R174-F177 PolarHBondContact O-N 3.15Å; R174-F177 VanDerWaalsContact O-N 3.14Å; R174-Y255 WeakPolarHBondContact CA-OH 3.41Å; R174-Y255 HydrophobicContact CB-CE1 3.95Å; R174-Y255 WeakPolarHBondContact CB-OH 3.42Å; R174-Y255 HydrophobicContact CG-CE1 3.91Å; R174-Y255 PolarHBondContact N-OH 2.7Å
175E93.2Very high92.7Very high157 Ų15770.5 Ų70.573%0.73434%0.344SS*.G310 helixtrans-65.8-18.5-174.4-56.573.7-152.700112.7K173 F177K173-E175 VanDerWaalsContact CB-OE2 3.28Å; K173-E175 WeakPolarHBondContact CB-OE2 3.27Å; K173-E175 PolarHBondContact O-N 3.03Å; E175-F177 VanDerWaalsContact C-N 3.3Å
176Q94.1Very high93Very high26 Ų2665.5 Ų65.512%0.12131%0.313CS..G310 helixtrans-82-8.8-179.6-62.8166.9-27.900112.6K173 R174 T186 T228K173-Q176 HydrophobicContact CB-CG 4.47Å; K173-Q176 WeakPolarHBondContact O-CB 3.5Å; K173-Q176 PolarHBondContact O-N 3.34Å; K173-Q176 VanDerWaalsContact O-N 3.14Å; R174-Q176 PolarHBondContact O-N 3.22Å; R174-Q176 VanDerWaalsContact O-N 3.14Å; Q176-T186 WeakPolarHBondContact O-CG2 3.48Å; Q176-T228 HydrophobicContact CB-CG2 4.23Å
177F95.7Very high93.3Very high19 Ų1963.8 Ų63.88%0.08331%0.308CS..SBendtrans-122.7135.7-173.1-66.5-97.9000111.8V172 K173 R174 E175 V179 T186 V188 F253 Y255V172-F177 HydrophobicContact CB-CE2 3.74Å; V172-F177 HydrophobicContact CB-CZ 4.15Å; V172-F177 HydrophobicContact CG1-CE2 4.04Å; V172-F177 HydrophobicContact CG1-CZ 3.97Å; V172-F177 HydrophobicContact CG2-CE2 4.29Å; K173-F177 WeakPolarHBondContact O-CD2 3.5Å; R174-F177 PolarHBondContact O-N 3.15Å; R174-F177 VanDerWaalsContact O-N 3.14Å; E175-F177 VanDerWaalsContact C-N 3.3Å; F177-V179 HydrophobicContact CB-CG2 4.17Å; F177-V179 PolarHBondContact O-N 2.81Å; F177-T186 HydrophobicContact CD1-CG2 4.06Å; F177-T186 HydrophobicContact CE1-CG2 4.37Å; F177-V188 HydrophobicContact CE1-CG2 3.5Å; F177-V188 HydrophobicContact CZ-CG2 3.54Å; F177-F253 AromaticContact CE1-CD1 3.87Å; F177-F253 HydrophobicContact CE1-CD1 3.87Å; F177-F253 AromaticContact CE1-CE1 3.72Å; F177-F253 HydrophobicContact CE1-CE1 3.72Å; F177-F253 HydrophobicContact CE2-CE1 4.46Å; F177-F253 HydrophobicContact CZ-CD1 4.07Å; F177-F253 AromaticContact CZ-CE1 3.66Å; F177-F253 HydrophobicContact CZ-CE1 3.66Å; F177-Y255 HydrophobicContact CB-CD2 4.47Å; F177-Y255 HydrophobicContact CB-CG 4.06Å; F177-Y255 HydrophobicContact CD1-CG 4.38Å; F177-Y255 AromaticContact CD2-CD2 3.49Å; F177-Y255 HydrophobicContact CD2-CD2 3.49Å; F177-Y255 VanDerWaalsContact CD2-CD2 3.49Å; F177-Y255 HydrophobicContact CD2-CE2 4.22Å; F177-Y255 AromaticContact CD2-CG 3.92Å; F177-Y255 HydrophobicContact CD2-CG 3.92Å; F177-Y255 AromaticContact CE2-CD2 3.85Å; F177-Y255 HydrophobicContact CE2-CD2 3.85Å; F177-Y255 AromaticContact CG-CD2 3.9Å; F177-Y255 HydrophobicContact CG-CD2 3.9Å; F177-Y255 AromaticContact CG-CG 3.84Å; F177-Y255 HydrophobicContact CG-CG 3.84Å; F177-Y255 HydrophobicContact CZ-CD2 4.44Å
178I93.4Very high93.6Very high71 Ų7160.5 Ų60.536%0.36429%0.292SS..  trans-78.8104.3163.3-57.1-168.2000108.3L184 T186 T230I178-L184 HydrophobicContact CD1-CB 4.21Å; I178-L184 HydrophobicContact CD1-CD1 3.79Å; I178-L184 HydrophobicContact CG2-CB 4.26Å; I178-T186 PolarHBondContact N-OG1 3.46Å; I178-T230 HydrophobicContact CD1-CG2 3.43Å; I178-T230 VanDerWaalsContact CD1-CG2 3.43Å; I178-T230 HydrophobicContact CG1-CG2 4.15Å
179V89.9Confident93.9Very high55 Ų5560.4 Ų60.433%0.33329%0.292SS..  trans-93.9150.8176.4-166.60000109.5F177 S181 Y255F177-V179 HydrophobicContact CB-CG2 4.17Å; F177-V179 PolarHBondContact O-N 2.81Å; V179-S181 PolarHBondContact O-N 3.13Å; V179-Y255 HydrophobicContact CG2-CD1 3.91Å
180D88.2Confident94.2Very high157 Ų15760.2 Ų60.284%0.8429%0.29SS*.SBendtrans60.213.3174.4-54.2-41.1000116.9
181S93Very high94.7Very high32 Ų3257.2 Ų57.222%0.22427%0.274CS..  trans-76134.3172-174.80000110.8V179 Y183 L184 K233V179-S181 PolarHBondContact O-N 3.13Å; S181-Y183 VanDerWaalsContact C-N 3.33Å; S181-Y183 PolarHBondContact OG-N 2.94Å; S181-L184 PolarHBondContact OG-N 3.43Å; S181-K233 WeakPolarHBondContact O-CE 3.47Å; S181-K233 PolarHBondContact O-NZ 3.17Å
182E93.3Very high94.9Very high142 Ų14257.6 Ų57.666%0.66428%0.278SS*.SBendtrans-68.1-35.3171.4-173.3177.8-164.800111.4K233E182-K233 WeakPolarHBondContact O-CD 3.32Å; E182-K233 PolarHBondContact O-NZ 3.37Å
183Y95.1Very high95.1Very high141 Ų14160.3 Ų60.355%0.55329%0.288SS*.SBendtrans-107.6-34-168.9-59.4-78.2000114.6S181 F232 K233S181-Y183 VanDerWaalsContact C-N 3.33Å; S181-Y183 PolarHBondContact OG-N 2.94Å; Y183-F232 CarbonylContact O-C 3.43Å; Y183-F232 VanDerWaalsContact O-CA 3.28Å; Y183-F232 WeakPolarHBondContact O-CA 3.49Å; Y183-K233 PolarHBondContact O-N 2.88Å
184L96.5Very high95.2Very high40 Ų4060.3 Ų60.321%0.20930%0.295CS..EExtended strand (participates in β ladder)trans-99.7152.4-175.3-61.5177.1000111I178 S181 V211 T230 L231 F232 K233I178-L184 HydrophobicContact CD1-CB 4.21Å; I178-L184 HydrophobicContact CD1-CD1 3.79Å; I178-L184 HydrophobicContact CG2-CB 4.26Å; S181-L184 PolarHBondContact OG-N 3.43Å; L184-V211 HydrophobicContact CD2-CG2 4.17Å; L184-T230 HydrophobicContact CB-CG2 4.37Å; L184-L231 WeakPolarHBondContact CA-O 3.37Å; L184-F232 HydrophobicContact CD2-CD1 4.24Å; L184-F232 HydrophobicContact CD2-CD2 3.63Å; L184-F232 HydrophobicContact CD2-CE1 4.33Å; L184-F232 HydrophobicContact CD2-CE2 3.76Å; L184-F232 HydrophobicContact CD2-CG 3.92Å; L184-F232 HydrophobicContact CD2-CZ 4.11Å; L184-K233 WeakPolarHBondContact O-CE 3.46Å
185T95.8Very high95.5Very high34 Ų3456.3 Ų56.321%0.20928%0.283CS..EExtended strand (participates in β ladder)trans-143.4146.5170.1-170.60000109.4L187 T230 L231 K233T185-L187 HydrophobicContact CG2-CD2 4.26Å; T185-T230 WeakPolarHBondContact O-CA 3.39Å; T185-L231 PolarHBondContact N-O 2.97Å; T185-L231 PolarHBondContact O-N 3.46Å; T185-K233 HydrophobicContact CG2-CG 3.92Å
186T97.3Very high95.7Very high7 Ų750.4 Ų50.44%0.04325%0.254CS..EExtended strand (participates in β ladder)trans-100.6122.1170.2-53.70000108.7Q176 F177 I178 T228 V229 T230Q176-T186 WeakPolarHBondContact O-CG2 3.48Å; F177-T186 HydrophobicContact CD1-CG2 4.06Å; F177-T186 HydrophobicContact CE1-CG2 4.37Å; I178-T186 PolarHBondContact N-OG1 3.46Å; T186-T228 HydrophobicContact CG2-CG2 4.01Å; T186-V229 CarbonylContact C-O 3.57Å; T186-V229 WeakPolarHBondContact CA-O 3.37Å; T186-T230 PolarHBondContact OG1-OG1 3.35Å; T186-T230 VanDerWaalsContact OG1-OG1 3.09Å
187L97.4Very high95.8Very high12 Ų1254.8 Ų54.86%0.06328%0.278CS..EExtended strand (participates in β ladder)trans-95.6154.6172.7-57.9-177.6000110.1T185 T228 V229 L231 T236 F239 V250T185-L187 HydrophobicContact CG2-CD2 4.26Å; L187-T228 CarbonylContact O-C 3.52Å; L187-T228 WeakPolarHBondContact O-CA 3.41Å; L187-V229 HydrophobicContact CB-CG1 3.94Å; L187-V229 PolarHBondContact N-O 2.85Å; L187-V229 PolarHBondContact O-N 2.9Å; L187-L231 HydrophobicContact CB-CD2 4.45Å; L187-L231 HydrophobicContact CD1-CD1 4.49Å; L187-L231 HydrophobicContact CD1-CD2 3.63Å; L187-L231 HydrophobicContact CG-CD2 3.73Å; L187-T236 HydrophobicContact CD1-CG2 4.14Å; L187-T236 HydrophobicContact CD2-CG2 3.97Å; L187-F239 HydrophobicContact CD1-CD1 3.76Å; L187-F239 HydrophobicContact CD1-CE1 4.42Å; L187-F239 HydrophobicContact CD1-CG 4.43Å; L187-V250 HydrophobicContact CB-CG1 4.15Å; L187-V250 HydrophobicContact CD1-CG1 4.06Å
188V97.5Very high95.9Very high0 Ų057 Ų570%029%0.291CS..EExtended strand (participates in β ladder)trans-111.7128.7173-165.90000109L168 F177 I218 L226 W227 R251 F253L168-V188 HydrophobicContact CD1-CB 4.25Å; L168-V188 HydrophobicContact CD1-CG1 4Å; F177-V188 HydrophobicContact CE1-CG2 3.5Å; F177-V188 HydrophobicContact CZ-CG2 3.54Å; V188-I218 HydrophobicContact CG1-CD1 4.29Å; V188-L226 HydrophobicContact CG1-CD1 3.29Å; V188-L226 HydrophobicContact CG1-CD2 3.84Å; V188-L226 HydrophobicContact CG1-CG 3.35Å; V188-W227 CarbonylContact C-O 3.54Å; V188-W227 WeakPolarHBondContact CA-O 3.47Å; V188-R251 HydrophobicContact CB-CB 4.46Å; V188-R251 PolarHBondContact O-N 3.41Å; V188-F253 HydrophobicContact CG2-CD1 3.73Å; V188-F253 HydrophobicContact CG2-CE1 4.47Å; V188-F253 HydrophobicContact CG2-CG 4.48Å
189V98.1Very high96.1Very high0 Ų053.6 Ų53.60%027%0.273CS..EExtended strand (participates in β ladder)trans-126.7125.5-171.3-1700000109.7V191 W199 W227 V229 F239 F248 V250V189-V191 HydrophobicContact CG1-CG2 4.05Å; V189-W199 HydrophobicContact CB-CH2 3.87Å; V189-W199 HydrophobicContact CB-CZ2 4.35Å; V189-W199 HydrophobicContact CB-CZ3 4.25Å; V189-W199 HydrophobicContact CG1-CE3 4.48Å; V189-W199 HydrophobicContact CG1-CH2 4Å; V189-W199 HydrophobicContact CG1-CZ3 3.85Å; V189-W199 HydrophobicContact CG2-CH2 3.68Å; V189-W199 HydrophobicContact CG2-CZ2 4.37Å; V189-W199 HydrophobicContact CG2-CZ3 4.3Å; V189-W227 PolarHBondContact N-O 3.47Å; V189-W227 PolarHBondContact O-N 3.44Å; V189-V229 HydrophobicContact CG2-CG1 3.9Å; V189-F239 HydrophobicContact CG2-CE1 4.17Å; V189-F248 HydrophobicContact CG1-CB 3.78Å; V189-V250 HydrophobicContact CG1-CG2 4.46Å; V189-V250 HydrophobicContact CG2-CG2 4.14Å
190V98.1Very high96.5Very high2 Ų256.6 Ų56.61%0.01228%0.282CS..EExtended strand (participates in β ladder)trans-87.7120.4172.7-175.90000108.1L163 L164 N224 G225 L226 V249 R251L163-V190 HydrophobicContact CB-CG1 4.09Å; L163-V190 HydrophobicContact CB-CG2 4.16Å; L163-V190 VanDerWaalsContact O-CG2 3.23Å; L163-V190 WeakPolarHBondContact O-CG2 3.49Å; L164-V190 HydrophobicContact CD2-CB 3.97Å; L164-V190 HydrophobicContact CD2-CG1 3.68Å; L164-V190 HydrophobicContact CD2-CG2 4.34Å; L164-V190 HydrophobicContact CG-CG1 4.2Å; V190-N224 HydrophobicContact CG1-CB 3.57Å; V190-G225 WeakPolarHBondContact CA-O 3.48Å; V190-L226 HydrophobicContact CG2-CD1 3.82Å; V190-V249 HydrophobicContact CB-CB 4.3Å; V190-V249 PolarHBondContact N-O 3.31Å; V190-V249 PolarHBondContact O-N 3.48Å; V190-R251 HydrophobicContact CG2-CG 3.67Å
191V98.3Very high96.8Very high0 Ų053 Ų530%027%0.269CS..EExtended strand (participates in β ladder)trans-119.9127-177.3-177.80000108.2V189 M195 Y196 W199 N224 G225 W227 F248V189-V191 HydrophobicContact CG1-CG2 4.05Å; V191-M195 HydrophobicContact CG1-CB 4.28Å; V191-Y196 HydrophobicContact CB-CD1 4.29Å; V191-Y196 HydrophobicContact CB-CE1 4.34Å; V191-Y196 HydrophobicContact CG1-CD1 3.85Å; V191-Y196 HydrophobicContact CG1-CE1 4.36Å; V191-Y196 WeakPolarHBondContact O-CE1 3.35Å; V191-W199 HydrophobicContact CG1-CB 3.81Å; V191-W199 HydrophobicContact CG1-CG 4.37Å; V191-W199 HydrophobicContact CG2-CB 4.2Å; V191-W199 HydrophobicContact CG2-CD2 3.81Å; V191-W199 HydrophobicContact CG2-CE3 3.96Å; V191-W199 HydrophobicContact CG2-CG 3.91Å; V191-N224 CarbonylContact O-C 3.57Å; V191-N224 WeakPolarHBondContact O-CA 3.32Å; V191-G225 PolarHBondContact N-O 3.07Å; V191-G225 PolarHBondContact O-N 2.81Å; V191-W227 HydrophobicContact CG2-CG 4.18Å; V191-F248 HydrophobicContact CB-CD1 4.4Å; V191-F248 HydrophobicContact CG1-CD1 3.93Å; V191-F248 HydrophobicContact CG1-CE1 3.75Å; V191-F248 HydrophobicContact CG1-CZ 4.36Å; V191-F248 HydrophobicContact CG2-CD1 4.28Å; V191-F248 HydrophobicContact CG2-CG 4.34Å
192P97.8Very high97Very high32 Ų3253.9 Ų53.921%0.20827%0.271CS..EExtended strand (participates in β ladder)trans-58.3139.5171.9-26.737000111.7N194 M195 Y196P192-N194 WeakPolarHBondContact CB-OD1 3.39Å; P192-N194 PolarHBondContact O-N 3.44Å; P192-N194 VanDerWaalsContact O-N 3.16Å; P192-M195 HydrophobicContact CB-CG 4.22Å; P192-M195 PolarHBondContact O-N 3.35Å; P192-Y196 WeakPolarHBondContact O-CD1 3.27Å
193K97.2Very high97.2Very high69 Ų6947.7 Ų47.730%0.324%0.242SC..G310 helixtrans-53.6-39.4-176.4-78-175.3-167.6-159.70114M195 Y196 E220 D221 Q222 D223K193-M195 PolarHBondContact O-N 3.15Å; K193-Y196 HydrophobicContact CB-CE1 4.49Å; K193-Y196 HydrophobicContact CG-CE1 4.28Å; K193-Y196 HydrophobicContact CG-CE2 4.31Å; K193-Y196 PolarHBondContact O-N 3.43Å; K193-E220 HydrophobicContact CD-CG 4.38Å; K193-E220 WeakPolarHBondContact CE-OE1 3.38Å; K193-E220 VanDerWaalsContact NZ-CD 3.29Å; K193-E220 IonicContact NZ-OE1 2.68Å; K193-E220 PolarHBondContact NZ-OE1 3.38Å; K193-D221 WeakPolarHBondContact CE-O 3.41Å; K193-D221 PolarHBondContact NZ-O 3.03Å; K193-Q222 VanDerWaalsContact CE-C 3.49Å; K193-Q222 WeakPolarHBondContact CE-O 3.37Å; K193-Q222 PolarHBondContact NZ-O 2.95Å; K193-Q222 VanDerWaalsContact NZ-O 3.14Å; K193-D223 WeakPolarHBondContact CG-O 3.45Å; K193-D223 PolarHBondContact N-O 2.9Å
194N97Very high97.3Very high131 Ų13144.6 Ų44.670%0.70123%0.233SC*.G310 helixtrans-67.1-15.2178.863.1-25.8000113.8P192P192-N194 WeakPolarHBondContact CB-OD1 3.39Å; P192-N194 PolarHBondContact O-N 3.44Å; P192-N194 VanDerWaalsContact O-N 3.16Å
195M97.6Very high97.2Very high56 Ų5652.8 Ų52.828%0.27626%0.261SS..G310 helixtrans-108.611.3-177.7-57.1-66.5-6800113.2V191 P192 K193 N197 D198 W199 F248V191-M195 HydrophobicContact CG1-CB 4.28Å; P192-M195 HydrophobicContact CB-CG 4.22Å; P192-M195 PolarHBondContact O-N 3.35Å; K193-M195 PolarHBondContact O-N 3.15Å; M195-N197 VanDerWaalsContact C-N 3.27Å; M195-N197 PolarHBondContact O-N 2.99Å; M195-D198 HydrophobicContact CE-CB 4.05Å; M195-D198 WeakPolarHBondContact CE-OD2 3.41Å; M195-D198 WeakPolarHBondContact O-CB 3.36Å; M195-D198 PolarHBondContact O-N 3.44Å; M195-D198 VanDerWaalsContact O-N 3.11Å; M195-D198 VanDerWaalsContact SD-OD2 3.39Å; M195-W199 PolarHBondContact O-N 3.25Å; M195-F248 HydrophobicContact CB-CE1 3.73Å; M195-F248 HydrophobicContact CB-CZ 4.32Å; M195-F248 HydrophobicContact CG-CE1 4.41Å
196Y98.1Very high97.1Very high32 Ų3251.9 Ų51.913%0.12525%0.254CS..Hα-helixtrans-59.4-36.3-179.4-78.12.4000113.7V191 P192 K193 D198 W199 K200 E220 G225 W227V191-Y196 HydrophobicContact CB-CD1 4.29Å; V191-Y196 HydrophobicContact CB-CE1 4.34Å; V191-Y196 HydrophobicContact CG1-CD1 3.85Å; V191-Y196 HydrophobicContact CG1-CE1 4.36Å; V191-Y196 WeakPolarHBondContact O-CE1 3.35Å; P192-Y196 WeakPolarHBondContact O-CD1 3.27Å; K193-Y196 HydrophobicContact CB-CE1 4.49Å; K193-Y196 HydrophobicContact CG-CE1 4.28Å; K193-Y196 HydrophobicContact CG-CE2 4.31Å; K193-Y196 PolarHBondContact O-N 3.43Å; Y196-D198 VanDerWaalsContact C-N 3.34Å; Y196-W199 PolarHBondContact O-N 3.17Å; Y196-K200 WeakPolarHBondContact O-CG 3.35Å; Y196-K200 PolarHBondContact O-N 2.86Å; Y196-E220 WeakPolarHBondContact CE2-OE2 3.43Å; Y196-E220 PolarHBondContact OH-OE2 3.4Å; Y196-G225 WeakPolarHBondContact OH-CA 3.39Å; Y196-G225 PolarHBondContact OH-N 2.97Å; Y196-G225 VanDerWaalsContact OH-N 3.11Å; Y196-W227 HydrophobicContact CD1-CZ2 4.08Å; Y196-W227 AromaticContact CD1-NE1 3.68Å; Y196-W227 AromaticContact CD2-CZ2 3.96Å; Y196-W227 HydrophobicContact CD2-CZ2 3.96Å; Y196-W227 HydrophobicContact CE1-CZ2 4.27Å; Y196-W227 AromaticContact CE1-NE1 3.41Å; Y196-W227 HydrophobicContact CE2-CZ2 4.16Å; Y196-W227 AromaticContact CG-CZ2 3.92Å; Y196-W227 HydrophobicContact CG-CZ2 3.92Å; Y196-W227 AromaticContact CZ-NE1 3.95Å
197N97.4Very high96.9Very high119 Ų11952.4 Ų52.464%0.63626%0.257SS*.Hα-helixtrans-68.3-38177.2-68.6-29.7000111.1M195 S201M195-N197 VanDerWaalsContact C-N 3.27Å; M195-N197 PolarHBondContact O-N 2.99Å; N197-S201 VanDerWaalsContact O-CB 3.3Å; N197-S201 WeakPolarHBondContact O-CB 3.39Å; N197-S201 PolarHBondContact O-N 3.4Å; N197-S201 PolarHBondContact O-OG 2.88Å
198D96.9Very high96.7Very high64 Ų6457.9 Ų57.934%0.34229%0.287SS..Hα-helixtrans-66.7-42.1176.1-61.4-47000111M195 Y196 S201 N202 F248M195-D198 HydrophobicContact CE-CB 4.05Å; M195-D198 WeakPolarHBondContact CE-OD2 3.41Å; M195-D198 WeakPolarHBondContact O-CB 3.36Å; M195-D198 PolarHBondContact O-N 3.44Å; M195-D198 VanDerWaalsContact O-N 3.11Å; M195-D198 VanDerWaalsContact SD-OD2 3.39Å; Y196-D198 VanDerWaalsContact C-N 3.34Å; D198-S201 PolarHBondContact O-N 2.82Å; D198-N202 VanDerWaalsContact O-CB 3.3Å; D198-N202 WeakPolarHBondContact O-CB 3.44Å; D198-N202 PolarHBondContact O-N 3.45Å; D198-N202 PolarHBondContact O-ND2 2.81Å; D198-F248 HydrophobicContact CB-CZ 4.36Å
199W98Very high96.7Very high0 Ų061.4 Ų61.40%030%0.304CS..Hα-helixtrans-56.1-57.9172.8172-107.2000111.3V189 V191 M195 Y196 S201 N202 Y203 M206 S215 W227 V229 F239 F248V189-W199 HydrophobicContact CB-CH2 3.87Å; V189-W199 HydrophobicContact CB-CZ2 4.35Å; V189-W199 HydrophobicContact CB-CZ3 4.25Å; V189-W199 HydrophobicContact CG1-CE3 4.48Å; V189-W199 HydrophobicContact CG1-CH2 4Å; V189-W199 HydrophobicContact CG1-CZ3 3.85Å; V189-W199 HydrophobicContact CG2-CH2 3.68Å; V189-W199 HydrophobicContact CG2-CZ2 4.37Å; V189-W199 HydrophobicContact CG2-CZ3 4.3Å; V191-W199 HydrophobicContact CG1-CB 3.81Å; V191-W199 HydrophobicContact CG1-CG 4.37Å; V191-W199 HydrophobicContact CG2-CB 4.2Å; V191-W199 HydrophobicContact CG2-CD2 3.81Å; V191-W199 HydrophobicContact CG2-CE3 3.96Å; V191-W199 HydrophobicContact CG2-CG 3.91Å; M195-W199 PolarHBondContact O-N 3.25Å; Y196-W199 PolarHBondContact O-N 3.17Å; W199-S201 PolarHBondContact O-N 3.42Å; W199-N202 PolarHBondContact O-N 3.38Å; W199-N202 VanDerWaalsContact O-N 3.17Å; W199-Y203 HydrophobicContact CH2-CG 4.48Å; W199-Y203 HydrophobicContact CZ2-CD2 4.32Å; W199-Y203 HydrophobicContact CZ2-CG 4.15Å; W199-Y203 WeakPolarHBondContact O-CB 3.21Å; W199-Y203 WeakPolarHBondContact O-CD1 3.42Å; W199-Y203 PolarHBondContact O-N 2.96Å; W199-M206 HydrophobicContact CE3-CE 4.07Å; W199-M206 HydrophobicContact CZ3-CE 4.09Å; W199-M206 HydrophobicContact CZ3-SD 4.25Å; W199-S215 PolarHBondContact NE1-OG 3.28Å; W199-W227 AromaticContact CD1-CD2 3.64Å; W199-W227 AromaticContact CD1-CE3 3.76Å; W199-W227 AromaticContact CD1-CG 3.96Å; W199-W227 HydrophobicContact CZ2-CB 4.13Å; W199-W227 AromaticContact NE1-CD2 3.59Å; W199-W227 AromaticContact NE1-CE3 3.56Å; W199-W227 AromaticContact NE1-CG 3.67Å; W199-V229 HydrophobicContact CH2-CB 4.15Å; W199-V229 HydrophobicContact CH2-CG1 4.05Å; W199-V229 HydrophobicContact CZ2-CB 4.09Å; W199-V229 HydrophobicContact CZ2-CG1 4.41Å; W199-F239 HydrophobicContact CH2-CE1 4.28Å; W199-F239 AromaticContact CH2-CZ 3.78Å; W199-F239 HydrophobicContact CH2-CZ 3.78Å; W199-F239 HydrophobicContact CZ3-CZ 4.03Å; W199-F248 HydrophobicContact CB-CE2 4.29Å; W199-F248 HydrophobicContact CB-CZ 4.18Å; W199-F248 AromaticContact CE3-CD2 3.57Å; W199-F248 HydrophobicContact CE3-CD2 3.57Å; W199-F248 AromaticContact CE3-CE2 3.71Å; W199-F248 HydrophobicContact CE3-CE2 3.71Å; W199-F248 HydrophobicContact CE3-CG 4.33Å; W199-F248 HydrophobicContact CZ3-CD2 4Å
200K97.3Very high96.6Very high118 Ų11862.1 Ų62.151%0.51331%0.309SS..Hα-helixtrans-58.2-33.4-178.2-71.6175.2-177.3177.30113.4Y196Y196-K200 WeakPolarHBondContact O-CG 3.35Å; Y196-K200 PolarHBondContact O-N 2.86Å
201S96.1Very high96.6Very high81 Ų8164.3 Ų64.357%0.56632%0.322SS*.Hα-helixtrans-81.9-25.9-177.5-55.60000113.5N197 D198 W199N197-S201 VanDerWaalsContact O-CB 3.3Å; N197-S201 WeakPolarHBondContact O-CB 3.39Å; N197-S201 PolarHBondContact O-N 3.4Å; N197-S201 PolarHBondContact O-OG 2.88Å; D198-S201 PolarHBondContact O-N 2.82Å; W199-S201 PolarHBondContact O-N 3.42Å
202N96.3Very high96.4Very high51 Ų5168.4 Ų68.427%0.27335%0.348SS..Hα-helixtrans-119-22.7-167.7-63.2-72.4000115D198 W199 E204 R205 M206 F246D198-N202 VanDerWaalsContact O-CB 3.3Å; D198-N202 WeakPolarHBondContact O-CB 3.44Å; D198-N202 PolarHBondContact O-N 3.45Å; D198-N202 PolarHBondContact O-ND2 2.81Å; W199-N202 PolarHBondContact O-N 3.38Å; W199-N202 VanDerWaalsContact O-N 3.17Å; N202-E204 VanDerWaalsContact C-N 3.26Å; N202-E204 PolarHBondContact O-N 2.95Å; N202-E204 VanDerWaalsContact O-N 3.14Å; N202-R205 PolarHBondContact O-N 3.26Å; N202-M206 HydrophobicContact CB-CE 4.48Å; N202-M206 PolarHBondContact O-N 3.44Å; N202-F246 HydrophobicContact CB-CE1 4.05Å; N202-F246 HydrophobicContact CB-CZ 4.15Å
203Y97.2Very high96.3Very high12 Ų1276 Ų765%0.04738%0.378CS..G310 helixtrans-56.4-37.2-170.984.4-81.8000113.6W199 R205 M206 V210 K213 S214 V229W199-Y203 HydrophobicContact CH2-CG 4.48Å; W199-Y203 HydrophobicContact CZ2-CD2 4.32Å; W199-Y203 HydrophobicContact CZ2-CG 4.15Å; W199-Y203 WeakPolarHBondContact O-CB 3.21Å; W199-Y203 WeakPolarHBondContact O-CD1 3.42Å; W199-Y203 PolarHBondContact O-N 2.96Å; Y203-R205 PolarHBondContact O-N 2.76Å; Y203-M206 PolarHBondContact O-N 3.38Å; Y203-V210 HydrophobicContact CD2-CG1 4.22Å; Y203-V210 HydrophobicContact CE2-CG1 4.25Å; Y203-K213 WeakPolarHBondContact OH-CA 3.31Å; Y203-K213 PolarHBondContact OH-N 2.73Å; Y203-S214 PolarHBondContact OH-N 2.91Å; Y203-V229 HydrophobicContact CD2-CB 4.34Å; Y203-V229 HydrophobicContact CD2-CG2 3.64Å; Y203-V229 HydrophobicContact CE2-CG2 3.98Å
204E96.7Very high96.2Very high77 Ų7773.9 Ų73.936%0.3637%0.372SS..G310 helixtrans-67-19.4178.4-58.9-173178.400113.6N202 K213N202-E204 VanDerWaalsContact C-N 3.26Å; N202-E204 PolarHBondContact O-N 2.95Å; N202-E204 VanDerWaalsContact O-N 3.14Å; E204-K213 PolarHBondContact OE1-N 3.34Å
205R95.2Very high96.3Very high212 Ų21269 Ų6980%0.835%0.348SS*.G310 helixtrans-111.81.5-174.4-59.8-179.4-177.5177.81.1113.2N202 Y203 T207N202-R205 PolarHBondContact O-N 3.26Å; Y203-R205 PolarHBondContact O-N 2.76Å; R205-T207 VanDerWaalsContact C-N 3.3Å; R205-T207 PolarHBondContact O-N 2.94Å
206M93.7Very high96.2Very high15 Ų1571 Ų717%0.07436%0.357CS..SBendtrans-62.2-41.9178.2-75178.5-177.100110.9W199 N202 Y203 F239 Q242 F246 F248W199-M206 HydrophobicContact CE3-CE 4.07Å; W199-M206 HydrophobicContact CZ3-CE 4.09Å; W199-M206 HydrophobicContact CZ3-SD 4.25Å; N202-M206 HydrophobicContact CB-CE 4.48Å; N202-M206 PolarHBondContact O-N 3.44Å; Y203-M206 PolarHBondContact O-N 3.38Å; M206-F239 HydrophobicContact CB-CD2 4.16Å; M206-F239 HydrophobicContact CB-CE2 3.99Å; M206-F239 HydrophobicContact SD-CE2 3.9Å; M206-F239 HydrophobicContact SD-CZ 3.86Å; M206-Q242 HydrophobicContact CB-CB 3.93Å; M206-Q242 HydrophobicContact CG-CB 4.42Å; M206-Q242 WeakPolarHBondContact O-CG 2.78Å; M206-F246 HydrophobicContact CE-CB 4.28Å; M206-F246 HydrophobicContact CE-CD1 4.48Å; M206-F246 HydrophobicContact CE-CD2 3.92Å; M206-F246 HydrophobicContact CE-CE2 4.38Å; M206-F246 HydrophobicContact CE-CG 3.98Å; M206-F246 HydrophobicContact CG-CE2 4.37Å; M206-F248 HydrophobicContact CE-CD2 3.54Å; M206-F248 HydrophobicContact CE-CE2 3.43Å; M206-F248 VanDerWaalsContact CE-CE2 3.43Å
207T94.1Very high96.2Very high17 Ų1772.6 Ų72.610%0.10437%0.367CS..SBendtrans-143.9165.517663.10000110.6R205 D238 F239 Q242R205-T207 VanDerWaalsContact C-N 3.3Å; R205-T207 PolarHBondContact O-N 2.94Å; T207-D238 VanDerWaalsContact CG2-C 3.5Å; T207-D238 HydrophobicContact CG2-CB 3.75Å; T207-F239 HydrophobicContact CG2-CB 4.16Å; T207-Q242 HydrophobicContact CG2-CB 4.41Å; T207-Q242 HydrophobicContact CG2-CG 3.97Å
208D93.2Very high96.1Very high128 Ų12868.2 Ų68.268%0.68434%0.343SS*.THydrogen-bonded Turntrans-62.3162.2166.7-65.6-33.5000111.3V210 M235D208-V210 VanDerWaalsContact C-N 3.25Å; D208-V210 PolarHBondContact O-N 3.06Å; D208-M235 HydrophobicContact CB-CE 4.28Å; D208-M235 WeakPolarHBondContact O-CG 3.35Å
209M96.1Very high96.1Very high73 Ų7369 Ų6936%0.3634%0.344SS..THydrogen-bonded Turntrans61.527.1172.2-49.7-75.4-7900114.7L231 F232 M235M209-L231 WeakPolarHBondContact O-CA 3.48Å; M209-L231 WeakPolarHBondContact O-CB 3.2Å; M209-F232 HydrophobicContact CB-CB 3.89Å; M209-F232 HydrophobicContact CB-CD2 3.66Å; M209-F232 HydrophobicContact CB-CE2 4.45Å; M209-F232 HydrophobicContact CB-CG 4Å; M209-F232 HydrophobicContact CE-CB 4.27Å; M209-F232 HydrophobicContact CE-CD1 3.53Å; M209-F232 HydrophobicContact CE-CD2 3.67Å; M209-F232 HydrophobicContact CE-CE1 3.59Å; M209-F232 HydrophobicContact CE-CE2 3.71Å; M209-F232 HydrophobicContact CE-CG 3.55Å; M209-F232 HydrophobicContact CE-CZ 3.67Å; M209-F232 WeakPolarHBondContact O-CD2 3.31Å; M209-F232 PolarHBondContact O-N 2.89Å; M209-F232 HydrophobicContact SD-CD2 4.46Å; M209-M235 HydrophobicContact CB-CG 3.85Å; M209-M235 HydrophobicContact CG-CG 4.09Å
210V97.5Very high95.9Very high16 Ų1673 Ų7310%0.09736%0.362CS..BIsolated β-bridgetrans-81.1134.6163.8-179.90000108.8Y203 D208 P212 V229 L231 F239Y203-V210 HydrophobicContact CD2-CG1 4.22Å; Y203-V210 HydrophobicContact CE2-CG1 4.25Å; D208-V210 VanDerWaalsContact C-N 3.25Å; D208-V210 PolarHBondContact O-N 3.06Å; V210-P212 WeakPolarHBondContact O-CD 3.42Å; V210-V229 HydrophobicContact CG1-CG2 3.79Å; V210-L231 HydrophobicContact CG2-CB 4.22Å; V210-F239 HydrophobicContact CG2-CD2 3.94Å; V210-F239 HydrophobicContact CG2-CE2 4.06Å
211V96.7Very high95.8Very high48 Ų4869 Ų6929%0.29135%0.347SS..PPolyproline II helixtrans-74.3119.7176.7-179.70000108.4L184 S214 T230L184-V211 HydrophobicContact CD2-CG2 4.17Å; V211-S214 WeakPolarHBondContact O-CB 3.34Å; V211-S214 PolarHBondContact O-N 3.33Å; V211-S214 PolarHBondContact O-OG 3.3Å; V211-T230 HydrophobicContact CB-CG2 4.33Å; V211-T230 WeakPolarHBondContact CB-O 3.38Å; V211-T230 HydrophobicContact CG2-CG2 3.83Å; V211-T230 PolarHBondContact N-O 3.4Å
212P95.5Very high95.7Very high86 Ų8673 Ų7356%0.55836%0.356SS*.THydrogen-bonded Turntrans-61.5147.6179.9-23.534.6000112V210 S214V210-P212 WeakPolarHBondContact O-CD 3.42Å; P212-S214 PolarHBondContact O-N 3.34Å; P212-S214 VanDerWaalsContact O-N 3.14Å
213K95Very high95.6Very high192 Ų19275.5 Ų75.584%0.83537%0.37SS*.THydrogen-bonded Turntrans53.927.1-179.2-54179.7-179.2178.20114.2Y203 E204Y203-K213 WeakPolarHBondContact OH-CA 3.31Å; Y203-K213 PolarHBondContact OH-N 2.73Å; E204-K213 PolarHBondContact OE1-N 3.34Å
214S95.6Very high95.6Very high23 Ų2376 Ų7616%0.16137%0.373CS..  trans-93.50.3-178.867.50000114.4Y203 V211 P212 T230Y203-S214 PolarHBondContact OH-N 2.91Å; V211-S214 WeakPolarHBondContact O-CB 3.34Å; V211-S214 PolarHBondContact O-N 3.33Å; V211-S214 PolarHBondContact O-OG 3.3Å; P212-S214 PolarHBondContact O-N 3.34Å; P212-S214 VanDerWaalsContact O-N 3.14Å; S214-T230 PolarHBondContact OG-N 3.37Å; S214-T230 PolarHBondContact OG-O 3.48Å
215S97.5Very high95.7Very high29 Ų2972.3 Ų72.320%0.20336%0.356CS..  trans-92.4131.8180-170.10000112.9W199 T228W199-S215 PolarHBondContact NE1-OG 3.28Å; S215-T228 WeakPolarHBondContact CA-O 3.15Å; S215-T228 WeakPolarHBondContact CB-O 3.42Å; S215-T228 PolarHBondContact OG-O 2.96Å
216E96.6Very high95.8Very high98 Ų9862.2 Ų62.246%0.45832%0.318SS..  trans-132.8141177.2-174.2-172.6165.300110W227 T228E216-W227 CarbonylContact O-C 3.32Å; E216-W227 VanDerWaalsContact O-CA 3.23Å; E216-W227 WeakPolarHBondContact O-CA 3.35Å; E216-T228 WeakPolarHBondContact CB-OG1 3.5Å; E216-T228 PolarHBondContact N-OG1 3.47Å; E216-T228 VanDerWaalsContact N-OG1 3.07Å; E216-T228 PolarHBondContact O-N 3.5Å; E216-T228 PolarHBondContact O-OG1 3.06Å
217L97.6Very high96Very high66 Ų6662.1 Ų62.135%0.34632%0.317SS..EExtended strand (participates in β ladder)trans-81116.2170.1177.464.7000109.3F219 W227L217-F219 WeakPolarHBondContact CD1-O 3.48Å; L217-W227 HydrophobicContact CB-CD2 4.04Å; L217-W227 HydrophobicContact CB-CE3 3.87Å; L217-W227 HydrophobicContact CB-CH2 3.67Å; L217-W227 HydrophobicContact CB-CZ2 3.87Å; L217-W227 HydrophobicContact CB-CZ3 3.69Å; L217-W227 HydrophobicContact CD1-CD2 4.08Å; L217-W227 HydrophobicContact CD1-CG 4.36Å; L217-W227 HydrophobicContact CD1-CZ2 3.89Å; L217-W227 HydrophobicContact CD2-CH2 4.41Å; L217-W227 HydrophobicContact CD2-CZ2 4.15Å; L217-W227 HydrophobicContact CG-CH2 4.43Å; L217-W227 HydrophobicContact CG-CZ2 4.19Å
218I96.1Very high96.2Very high26 Ų2661.5 Ų61.513%0.13331%0.313CS..EExtended strand (participates in β ladder)trans-86.9-49.2-177.9-58.2167.8000111.3I171 V172 V188 L226 T228I171-I218 WeakPolarHBondContact O-CG2 3.4Å; V172-I218 HydrophobicContact CG1-CD1 4.23Å; V172-I218 HydrophobicContact CG1-CG2 4.37Å; V188-I218 HydrophobicContact CG1-CD1 4.29Å; I218-L226 HydrophobicContact CB-CD2 4.35Å; I218-L226 WeakPolarHBondContact CB-O 3.5Å; I218-L226 HydrophobicContact CD1-CD2 4.24Å; I218-L226 HydrophobicContact CD1-CG 4.42Å; I218-L226 HydrophobicContact CG2-CD2 4.4Å; I218-L226 PolarHBondContact N-O 3.02Å; I218-T228 HydrophobicContact CD1-CG2 3.24Å; I218-T228 HydrophobicContact CG1-CG2 3.74Å
219F95.9Very high96.4Very high81 Ų8155.4 Ų55.436%0.35528%0.28SS..EExtended strand (participates in β ladder)trans-153155-170.8-167.7-88.6000110.1L163 I171 L217 L226L163-F219 HydrophobicContact CD1-CD1 4.38Å; L163-F219 HydrophobicContact CD2-CD1 3.89Å; L163-F219 HydrophobicContact CG-CD1 4.48Å; I171-F219 HydrophobicContact CB-CB 4.36Å; I171-F219 HydrophobicContact CB-CD2 3.97Å; I171-F219 HydrophobicContact CB-CG 4.19Å; I171-F219 HydrophobicContact CD1-CB 4.07Å; I171-F219 HydrophobicContact CD1-CD1 4.19Å; I171-F219 HydrophobicContact CD1-CG 4.04Å; I171-F219 HydrophobicContact CG2-CD2 3.81Å; I171-F219 HydrophobicContact CG2-CE2 3.9Å; I171-F219 HydrophobicContact CG2-CG 4.26Å; I171-F219 HydrophobicContact CG2-CZ 4.42Å; L217-F219 WeakPolarHBondContact CD1-O 3.48Å; F219-L226 HydrophobicContact CB-CB 4.27Å; F219-L226 PolarHBondContact O-N 3.2Å
220E95.1Very high96.5Very high84 Ų8452.5 Ų52.539%0.39327%0.267SS..EExtended strand (participates in β ladder)trans-136.5129.9178.6-178.6172.7115.600110.3K193 Y196 N224K193-E220 HydrophobicContact CD-CG 4.38Å; K193-E220 WeakPolarHBondContact CE-OE1 3.38Å; K193-E220 VanDerWaalsContact NZ-CD 3.29Å; K193-E220 IonicContact NZ-OE1 2.68Å; K193-E220 PolarHBondContact NZ-OE1 3.38Å; Y196-E220 WeakPolarHBondContact CE2-OE2 3.43Å; Y196-E220 PolarHBondContact OH-OE2 3.4Å; E220-N224 WeakPolarHBondContact CA-O 3.32Å
221D93.8Very high96.5Very high34 Ų3451.8 Ų51.818%0.18226%0.262CS..  trans-96.6-159.6170.873.223.9000111.1L163 K193 D223 N224L163-D221 WeakPolarHBondContact CB-OD2 3.36Å; L163-D221 HydrophobicContact CD1-CB 4.09Å; L163-D221 HydrophobicContact CG-CB 4.06Å; L163-D221 WeakPolarHBondContact CG-OD2 3.42Å; L163-D221 PolarHBondContact N-OD2 2.72Å; K193-D221 WeakPolarHBondContact CE-O 3.41Å; K193-D221 PolarHBondContact NZ-O 3.03Å; D221-D223 VanDerWaalsContact C-N 3.34Å; D221-D223 PolarHBondContact O-N 3.25Å; D221-D223 PolarHBondContact OD1-N 3.19Å; D221-N224 PolarHBondContact N-O 3.03Å; D221-N224 PolarHBondContact OD1-N 3.07Å
222Q93.8Very high96.5Very high164 Ų16452.7 Ų52.777%0.76626%0.263SS*.SBendtrans-65.8-35.8180-173.1171.3-4.300112.8K193K193-Q222 VanDerWaalsContact CE-C 3.49Å; K193-Q222 WeakPolarHBondContact CE-O 3.37Å; K193-Q222 PolarHBondContact NZ-O 2.95Å; K193-Q222 VanDerWaalsContact NZ-O 3.14Å
223D95.1Very high96.5Very high105 Ų10553.3 Ų53.356%0.56126%0.256SS*.SBendtrans-122.5-20.6-166.1-60.4-48.9000113.6K193 D221K193-D223 WeakPolarHBondContact CG-O 3.45Å; K193-D223 PolarHBondContact N-O 2.9Å; D221-D223 VanDerWaalsContact C-N 3.34Å; D221-D223 PolarHBondContact O-N 3.25Å; D221-D223 PolarHBondContact OD1-N 3.19Å
224N97.3Very high96.6Very high21 Ų2151.4 Ų51.411%0.11225%0.248CC..EExtended strand (participates in β ladder)trans-133.9156.3-171.3-50.9-80.1000112.7L163 V190 V191 E220 D221L163-N224 HydrophobicContact CD1-CB 4.23Å; L163-N224 WeakPolarHBondContact CD1-O 3.31Å; V190-N224 HydrophobicContact CG1-CB 3.57Å; V191-N224 CarbonylContact O-C 3.57Å; V191-N224 WeakPolarHBondContact O-CA 3.32Å; E220-N224 WeakPolarHBondContact CA-O 3.32Å; D221-N224 PolarHBondContact N-O 3.03Å; D221-N224 PolarHBondContact OD1-N 3.07Å
225G97.5Very high96.7Very high0 Ų051.6 Ų51.60%025%0.247CC..EExtended strand (participates in β ladder)trans-113.4145.3168.100000111.5V190 V191 Y196V190-G225 WeakPolarHBondContact CA-O 3.48Å; V191-G225 PolarHBondContact N-O 3.07Å; V191-G225 PolarHBondContact O-N 2.81Å; Y196-G225 WeakPolarHBondContact OH-CA 3.39Å; Y196-G225 PolarHBondContact OH-N 2.97Å; Y196-G225 VanDerWaalsContact OH-N 3.11Å
226L97.8Very high96.6Very high0 Ų051.3 Ų51.30%024%0.244CC..EExtended strand (participates in β ladder)trans-99.2111.1174.2-166.274.6000109.1L163 L168 I171 V172 V188 V190 I218 F219L163-L226 HydrophobicContact CD1-CB 4.01Å; L163-L226 HydrophobicContact CD2-CB 4.09Å; L163-L226 HydrophobicContact CD2-CD1 4.33Å; L163-L226 HydrophobicContact CD2-CD2 4.35Å; L168-L226 HydrophobicContact CD1-CD1 4.21Å; L168-L226 HydrophobicContact CD1-CD2 4.38Å; L168-L226 HydrophobicContact CD2-CD1 4.04Å; L168-L226 HydrophobicContact CD2-CD2 3.92Å; I171-L226 HydrophobicContact CD1-CD2 3.73Å; I171-L226 HydrophobicContact CG1-CD2 4.25Å; V172-L226 HydrophobicContact CG1-CD2 4.38Å; V188-L226 HydrophobicContact CG1-CD1 3.29Å; V188-L226 HydrophobicContact CG1-CD2 3.84Å; V188-L226 HydrophobicContact CG1-CG 3.35Å; V190-L226 HydrophobicContact CG2-CD1 3.82Å; I218-L226 HydrophobicContact CB-CD2 4.35Å; I218-L226 WeakPolarHBondContact CB-O 3.5Å; I218-L226 HydrophobicContact CD1-CD2 4.24Å; I218-L226 HydrophobicContact CD1-CG 4.42Å; I218-L226 HydrophobicContact CG2-CD2 4.4Å; I218-L226 PolarHBondContact N-O 3.02Å; F219-L226 HydrophobicContact CB-CB 4.27Å; F219-L226 PolarHBondContact O-N 3.2Å
227W98.3Very high96.6Very high14 Ų1451.9 Ų51.95%0.05325%0.25CS..EExtended strand (participates in β ladder)trans-110.7147-176.8-64.479.9000111.2V188 V189 V191 Y196 W199 E216 L217V188-W227 CarbonylContact C-O 3.54Å; V188-W227 WeakPolarHBondContact CA-O 3.47Å; V189-W227 PolarHBondContact N-O 3.47Å; V189-W227 PolarHBondContact O-N 3.44Å; V191-W227 HydrophobicContact CG2-CG 4.18Å; Y196-W227 HydrophobicContact CD1-CZ2 4.08Å; Y196-W227 AromaticContact CD1-NE1 3.68Å; Y196-W227 AromaticContact CD2-CZ2 3.96Å; Y196-W227 HydrophobicContact CD2-CZ2 3.96Å; Y196-W227 HydrophobicContact CE1-CZ2 4.27Å; Y196-W227 AromaticContact CE1-NE1 3.41Å; Y196-W227 HydrophobicContact CE2-CZ2 4.16Å; Y196-W227 AromaticContact CG-CZ2 3.92Å; Y196-W227 HydrophobicContact CG-CZ2 3.92Å; Y196-W227 AromaticContact CZ-NE1 3.95Å; W199-W227 AromaticContact CD1-CD2 3.64Å; W199-W227 AromaticContact CD1-CE3 3.76Å; W199-W227 AromaticContact CD1-CG 3.96Å; W199-W227 HydrophobicContact CZ2-CB 4.13Å; W199-W227 AromaticContact NE1-CD2 3.59Å; W199-W227 AromaticContact NE1-CE3 3.56Å; W199-W227 AromaticContact NE1-CG 3.67Å; E216-W227 CarbonylContact O-C 3.32Å; E216-W227 VanDerWaalsContact O-CA 3.23Å; E216-W227 WeakPolarHBondContact O-CA 3.35Å; L217-W227 HydrophobicContact CB-CD2 4.04Å; L217-W227 HydrophobicContact CB-CE3 3.87Å; L217-W227 HydrophobicContact CB-CH2 3.67Å; L217-W227 HydrophobicContact CB-CZ2 3.87Å; L217-W227 HydrophobicContact CB-CZ3 3.69Å; L217-W227 HydrophobicContact CD1-CD2 4.08Å; L217-W227 HydrophobicContact CD1-CG 4.36Å; L217-W227 HydrophobicContact CD1-CZ2 3.89Å; L217-W227 HydrophobicContact CD2-CH2 4.41Å; L217-W227 HydrophobicContact CD2-CZ2 4.15Å; L217-W227 HydrophobicContact CG-CH2 4.43Å; L217-W227 HydrophobicContact CG-CZ2 4.19Å
228T97.8Very high96.6Very high4 Ų452.7 Ų52.73%0.02526%0.255CS..EExtended strand (participates in β ladder)trans-88.8160.1164.255.50000111.3Q176 T186 L187 S215 E216 I218Q176-T228 HydrophobicContact CB-CG2 4.23Å; T186-T228 HydrophobicContact CG2-CG2 4.01Å; L187-T228 CarbonylContact O-C 3.52Å; L187-T228 WeakPolarHBondContact O-CA 3.41Å; S215-T228 WeakPolarHBondContact CA-O 3.15Å; S215-T228 WeakPolarHBondContact CB-O 3.42Å; S215-T228 PolarHBondContact OG-O 2.96Å; E216-T228 WeakPolarHBondContact CB-OG1 3.5Å; E216-T228 PolarHBondContact N-OG1 3.47Å; E216-T228 VanDerWaalsContact N-OG1 3.07Å; E216-T228 PolarHBondContact O-N 3.5Å; E216-T228 PolarHBondContact O-OG1 3.06Å; I218-T228 HydrophobicContact CD1-CG2 3.24Å; I218-T228 HydrophobicContact CG1-CG2 3.74Å
229V97.9Very high96.7Very high0 Ų051.5 Ų51.50%025%0.248CC..EExtended strand (participates in β ladder)trans-152.5137.2161.756.40000108.4T186 L187 V189 W199 Y203 V210 L231 F239T186-V229 CarbonylContact C-O 3.57Å; T186-V229 WeakPolarHBondContact CA-O 3.37Å; L187-V229 HydrophobicContact CB-CG1 3.94Å; L187-V229 PolarHBondContact N-O 2.85Å; L187-V229 PolarHBondContact O-N 2.9Å; V189-V229 HydrophobicContact CG2-CG1 3.9Å; W199-V229 HydrophobicContact CH2-CB 4.15Å; W199-V229 HydrophobicContact CH2-CG1 4.05Å; W199-V229 HydrophobicContact CZ2-CB 4.09Å; W199-V229 HydrophobicContact CZ2-CG1 4.41Å; Y203-V229 HydrophobicContact CD2-CB 4.34Å; Y203-V229 HydrophobicContact CD2-CG2 3.64Å; Y203-V229 HydrophobicContact CE2-CG2 3.98Å; V210-V229 HydrophobicContact CG1-CG2 3.79Å; V229-L231 HydrophobicContact CG1-CD2 4.22Å; V229-L231 HydrophobicContact CG2-CD2 4.43Å; V229-F239 HydrophobicContact CB-CZ 4.4Å; V229-F239 HydrophobicContact CG1-CE1 3.71Å; V229-F239 HydrophobicContact CG1-CZ 3.71Å; V229-F239 HydrophobicContact CG2-CE2 4.3Å; V229-F239 HydrophobicContact CG2-CZ 4.13Å
230T97.6Very high96.8Very high12 Ų1251.3 Ų51.37%0.07425%0.247CC..EExtended strand (participates in β ladder)trans-106.3134.1176.2-60.80000110.4I178 L184 T185 T186 V211 S214I178-T230 HydrophobicContact CD1-CG2 3.43Å; I178-T230 VanDerWaalsContact CD1-CG2 3.43Å; I178-T230 HydrophobicContact CG1-CG2 4.15Å; L184-T230 HydrophobicContact CB-CG2 4.37Å; T185-T230 WeakPolarHBondContact O-CA 3.39Å; T186-T230 PolarHBondContact OG1-OG1 3.35Å; T186-T230 VanDerWaalsContact OG1-OG1 3.09Å; V211-T230 HydrophobicContact CB-CG2 4.33Å; V211-T230 WeakPolarHBondContact CB-O 3.38Å; V211-T230 HydrophobicContact CG2-CG2 3.83Å; V211-T230 PolarHBondContact N-O 3.4Å; S214-T230 PolarHBondContact OG-N 3.37Å; S214-T230 PolarHBondContact OG-O 3.48Å
231L97.7Very high96.9Very high0 Ų051 Ų510%025%0.251CS..EExtended strand (participates in β ladder)trans-150.1171.717862.5155.4000111L184 T185 L187 M209 V210 V229 M235 F239L184-L231 WeakPolarHBondContact CA-O 3.37Å; T185-L231 PolarHBondContact N-O 2.97Å; T185-L231 PolarHBondContact O-N 3.46Å; L187-L231 HydrophobicContact CB-CD2 4.45Å; L187-L231 HydrophobicContact CD1-CD1 4.49Å; L187-L231 HydrophobicContact CD1-CD2 3.63Å; L187-L231 HydrophobicContact CG-CD2 3.73Å; M209-L231 WeakPolarHBondContact O-CA 3.48Å; M209-L231 WeakPolarHBondContact O-CB 3.2Å; V210-L231 HydrophobicContact CG2-CB 4.22Å; V229-L231 HydrophobicContact CG1-CD2 4.22Å; V229-L231 HydrophobicContact CG2-CD2 4.43Å; L231-M235 HydrophobicContact CD1-CB 4.13Å; L231-F239 HydrophobicContact CD1-CB 3.58Å; L231-F239 HydrophobicContact CD1-CD2 4.17Å; L231-F239 HydrophobicContact CD1-CG 3.9Å
232F97.7Very high97.1Very high68 Ų6853 Ų5330%0.29826%0.26SS..EExtended strand (participates in β ladder)trans-71.9134.1172.6-75.3-110.3000110.8Y183 L184 M209 K234 M235Y183-F232 CarbonylContact O-C 3.43Å; Y183-F232 VanDerWaalsContact O-CA 3.28Å; Y183-F232 WeakPolarHBondContact O-CA 3.49Å; L184-F232 HydrophobicContact CD2-CD1 4.24Å; L184-F232 HydrophobicContact CD2-CD2 3.63Å; L184-F232 HydrophobicContact CD2-CE1 4.33Å; L184-F232 HydrophobicContact CD2-CE2 3.76Å; L184-F232 HydrophobicContact CD2-CG 3.92Å; L184-F232 HydrophobicContact CD2-CZ 4.11Å; M209-F232 HydrophobicContact CB-CB 3.89Å; M209-F232 HydrophobicContact CB-CD2 3.66Å; M209-F232 HydrophobicContact CB-CE2 4.45Å; M209-F232 HydrophobicContact CB-CG 4Å; M209-F232 HydrophobicContact CE-CB 4.27Å; M209-F232 HydrophobicContact CE-CD1 3.53Å; M209-F232 HydrophobicContact CE-CD2 3.67Å; M209-F232 HydrophobicContact CE-CE1 3.59Å; M209-F232 HydrophobicContact CE-CE2 3.71Å; M209-F232 HydrophobicContact CE-CG 3.55Å; M209-F232 HydrophobicContact CE-CZ 3.67Å; M209-F232 WeakPolarHBondContact O-CD2 3.31Å; M209-F232 PolarHBondContact O-N 2.89Å; M209-F232 HydrophobicContact SD-CD2 4.46Å; F232-K234 HydrophobicContact CB-CG 4.3Å; F232-K234 PolarHBondContact O-N 3.48Å; F232-M235 PolarHBondContact O-N 2.88Å
233K95.7Very high97.2Very high99 Ų9945.2 Ų45.243%0.4322%0.223SC..G310 helixtrans-49-40.4-177.7-73.5-175.7-170.7174.30113.3S181 E182 Y183 L184 T185 M235 T236S181-K233 WeakPolarHBondContact O-CE 3.47Å; S181-K233 PolarHBondContact O-NZ 3.17Å; E182-K233 WeakPolarHBondContact O-CD 3.32Å; E182-K233 PolarHBondContact O-NZ 3.37Å; Y183-K233 PolarHBondContact O-N 2.88Å; L184-K233 WeakPolarHBondContact O-CE 3.46Å; T185-K233 HydrophobicContact CG2-CG 3.92Å; K233-M235 PolarHBondContact O-N 3.17Å; K233-M235 VanDerWaalsContact O-N 3.13Å; K233-T236 VanDerWaalsContact O-CB 3.23Å; K233-T236 WeakPolarHBondContact O-CB 3.29Å; K233-T236 PolarHBondContact O-N 3.33Å; K233-T236 PolarHBondContact O-OG1 3.03Å
234K96.4Very high97.3Very high151 Ų15149.6 Ų49.666%0.65723%0.232SC*.G310 helixtrans-58.6-23.8179.672.2175.5-173.4171.50114.4F232F232-K234 HydrophobicContact CB-CG 4.3Å; F232-K234 PolarHBondContact O-N 3.48Å
235M97.2Very high97.2Very high28 Ų2855.2 Ų55.214%0.13826%0.258CS..G310 helixtrans-99.18.7179.9-60.6-55.2-63.500112.7D208 M209 L231 F232 K233 D237 D238 F239D208-M235 HydrophobicContact CB-CE 4.28Å; D208-M235 WeakPolarHBondContact O-CG 3.35Å; M209-M235 HydrophobicContact CB-CG 3.85Å; M209-M235 HydrophobicContact CG-CG 4.09Å; L231-M235 HydrophobicContact CD1-CB 4.13Å; F232-M235 PolarHBondContact O-N 2.88Å; K233-M235 PolarHBondContact O-N 3.17Å; K233-M235 VanDerWaalsContact O-N 3.13Å; M235-D237 PolarHBondContact O-N 2.88Å; M235-D238 HydrophobicContact CE-CB 3.99Å; M235-D238 WeakPolarHBondContact CE-OD2 3.48Å; M235-D238 PolarHBondContact O-N 3.43Å; M235-F239 VanDerWaalsContact O-CB 3.31Å; M235-F239 WeakPolarHBondContact O-CB 3.33Å; M235-F239 PolarHBondContact O-N 2.89Å
236T96.1Very high97.1Very high22 Ų2258.6 Ų58.614%0.13527%0.273CS..Hα-helixtrans-61.9-44.3-174.2-61.60000112.6L187 K233 F239 K240L187-T236 HydrophobicContact CD1-CG2 4.14Å; L187-T236 HydrophobicContact CD2-CG2 3.97Å; K233-T236 VanDerWaalsContact O-CB 3.23Å; K233-T236 WeakPolarHBondContact O-CB 3.29Å; K233-T236 PolarHBondContact O-N 3.33Å; K233-T236 PolarHBondContact O-OG1 3.03Å; T236-F239 PolarHBondContact O-N 3.47Å; T236-K240 HydrophobicContact CG2-CD 4.3Å; T236-K240 VanDerWaalsContact O-CG 3.31Å; T236-K240 WeakPolarHBondContact O-CG 3.25Å; T236-K240 PolarHBondContact O-N 3.16Å
237D96.6Very high97Very high111 Ų11168.7 Ų68.759%0.59431%0.311SS*.Hα-helixtrans-74.6-36-177.2-66.7-31.2000112.1M235 F239 K240 T241M235-D237 PolarHBondContact O-N 2.88Å; D237-F239 VanDerWaalsContact C-N 3.32Å; D237-F239 PolarHBondContact O-N 2.88Å; D237-K240 PolarHBondContact O-N 3.36Å; D237-T241 PolarHBondContact O-N 2.91Å; D237-T241 PolarHBondContact O-OG1 3.35Å
238D97.4Very high97Very high83 Ų8368.3 Ų68.344%0.44431%0.309SS..Hα-helixtrans-61.8-43.8171.5-65.7-18.3000110.3T207 M235 T241 Q242T207-D238 VanDerWaalsContact CG2-C 3.5Å; T207-D238 HydrophobicContact CG2-CB 3.75Å; M235-D238 HydrophobicContact CE-CB 3.99Å; M235-D238 WeakPolarHBondContact CE-OD2 3.48Å; M235-D238 PolarHBondContact O-N 3.43Å; D238-T241 WeakPolarHBondContact O-CB 3.49Å; D238-T241 PolarHBondContact O-N 3.18Å; D238-Q242 WeakPolarHBondContact O-CG 3.42Å; D238-Q242 PolarHBondContact O-N 2.65Å
239F98.1Very high97Very high0 Ų071.2 Ų71.20%033%0.327CS..Hα-helixtrans-64.8-42.8178.8-172.2-86.3000111.3L187 V189 W199 M206 T207 V210 V229 L231 M235 T236 D237 T241 Q242 A243 V250L187-F239 HydrophobicContact CD1-CD1 3.76Å; L187-F239 HydrophobicContact CD1-CE1 4.42Å; L187-F239 HydrophobicContact CD1-CG 4.43Å; V189-F239 HydrophobicContact CG2-CE1 4.17Å; W199-F239 HydrophobicContact CH2-CE1 4.28Å; W199-F239 AromaticContact CH2-CZ 3.78Å; W199-F239 HydrophobicContact CH2-CZ 3.78Å; W199-F239 HydrophobicContact CZ3-CZ 4.03Å; M206-F239 HydrophobicContact CB-CD2 4.16Å; M206-F239 HydrophobicContact CB-CE2 3.99Å; M206-F239 HydrophobicContact SD-CE2 3.9Å; M206-F239 HydrophobicContact SD-CZ 3.86Å; T207-F239 HydrophobicContact CG2-CB 4.16Å; V210-F239 HydrophobicContact CG2-CD2 3.94Å; V210-F239 HydrophobicContact CG2-CE2 4.06Å; V229-F239 HydrophobicContact CB-CZ 4.4Å; V229-F239 HydrophobicContact CG1-CE1 3.71Å; V229-F239 HydrophobicContact CG1-CZ 3.71Å; V229-F239 HydrophobicContact CG2-CE2 4.3Å; V229-F239 HydrophobicContact CG2-CZ 4.13Å; L231-F239 HydrophobicContact CD1-CB 3.58Å; L231-F239 HydrophobicContact CD1-CD2 4.17Å; L231-F239 HydrophobicContact CD1-CG 3.9Å; M235-F239 VanDerWaalsContact O-CB 3.31Å; M235-F239 WeakPolarHBondContact O-CB 3.33Å; M235-F239 PolarHBondContact O-N 2.89Å; T236-F239 PolarHBondContact O-N 3.47Å; D237-F239 VanDerWaalsContact C-N 3.32Å; D237-F239 PolarHBondContact O-N 2.88Å; F239-T241 VanDerWaalsContact C-N 3.28Å; F239-T241 PolarHBondContact O-N 3.26Å; F239-Q242 PolarHBondContact O-N 3.31Å; F239-A243 HydrophobicContact CE1-CB 4.3Å; F239-A243 WeakPolarHBondContact O-CB 3.22Å; F239-A243 PolarHBondContact O-N 2.95Å; F239-V250 HydrophobicContact CD1-CG2 4.34Å; F239-V250 HydrophobicContact CE1-CG2 4.37Å
240K97.6Very high96.9Very high77 Ų7772.5 Ų72.534%0.33534%0.335SS..Hα-helixtrans-58.7-39.8173.5-75.9173.5179.6176.40112.1T236 D237 R244 V250T236-K240 HydrophobicContact CG2-CD 4.3Å; T236-K240 VanDerWaalsContact O-CG 3.31Å; T236-K240 WeakPolarHBondContact O-CG 3.25Å; T236-K240 PolarHBondContact O-N 3.16Å; D237-K240 PolarHBondContact O-N 3.36Å; K240-R244 WeakPolarHBondContact O-CB 3.4Å; K240-R244 PolarHBondContact O-N 3.46Å; K240-R244 VanDerWaalsContact O-N 3.12Å; K240-V250 HydrophobicContact CG-CB 3.96Å; K240-V250 HydrophobicContact CG-CG1 3.94Å; K240-V250 HydrophobicContact CG-CG2 4.08Å
241T97.4Very high96.9Very high77 Ų7773.7 Ų73.747%0.47234%0.338SS..Hα-helixtrans-65.6-48.6178.2-57.60000110.8D237 D238 F239 R244 E245D237-T241 PolarHBondContact O-N 2.91Å; D237-T241 PolarHBondContact O-OG1 3.35Å; D238-T241 WeakPolarHBondContact O-CB 3.49Å; D238-T241 PolarHBondContact O-N 3.18Å; F239-T241 VanDerWaalsContact C-N 3.28Å; F239-T241 PolarHBondContact O-N 3.26Å; T241-R244 WeakPolarHBondContact O-CB 3.42Å; T241-R244 PolarHBondContact O-N 2.98Å; T241-E245 PolarHBondContact O-N 3.27Å
242Q97.4Very high96.7Very high77 Ų7780.7 Ų80.736%0.3638%0.375SS..Hα-helixtrans-66.7-43.2179.2-67.7-67.7-28.700112.1M206 T207 D238 F239 R244 E245 F246M206-Q242 HydrophobicContact CB-CB 3.93Å; M206-Q242 HydrophobicContact CG-CB 4.42Å; M206-Q242 WeakPolarHBondContact O-CG 2.78Å; T207-Q242 HydrophobicContact CG2-CB 4.41Å; T207-Q242 HydrophobicContact CG2-CG 3.97Å; D238-Q242 WeakPolarHBondContact O-CG 3.42Å; D238-Q242 PolarHBondContact O-N 2.65Å; F239-Q242 PolarHBondContact O-N 3.31Å; Q242-R244 PolarHBondContact O-N 3.11Å; Q242-E245 WeakPolarHBondContact O-CB 3.17Å; Q242-E245 PolarHBondContact O-N 3.06Å; Q242-F246 WeakPolarHBondContact O-CD2 3.4Å; Q242-F246 PolarHBondContact O-N 2.84Å
243A97.2Very high96.5Very high0 Ų079.3 Ų79.30%037%0.369CS..Hα-helixtrans-55.8-40.1174.500000111.8F239 E245 F246 R247 F248 V250F239-A243 HydrophobicContact CE1-CB 4.3Å; F239-A243 WeakPolarHBondContact O-CB 3.22Å; F239-A243 PolarHBondContact O-N 2.95Å; A243-E245 PolarHBondContact O-N 3.12Å; A243-F246 CarbonylContact O-C 3.5Å; A243-F246 PolarHBondContact O-N 3.42Å; A243-R247 PolarHBondContact O-N 3.45Å; A243-F248 CarbonylContact C-O 3.55Å; A243-F248 HydrophobicContact CB-CB 4.24Å; A243-F248 WeakPolarHBondContact O-CA 3.36Å; A243-F248 WeakPolarHBondContact O-CB 3.49Å; A243-F248 PolarHBondContact O-N 3.18Å; A243-V250 HydrophobicContact CB-CG2 3.61Å
244R95.8Very high96.3Very high197 Ų19780.1 Ų80.174%0.74338%0.383SS*.Hα-helixtrans-63.4-39.1176179.5-178.6-79.7-174.6-3.6112.6K240 T241 Q242 F246 R247K240-R244 WeakPolarHBondContact O-CB 3.4Å; K240-R244 PolarHBondContact O-N 3.46Å; K240-R244 VanDerWaalsContact O-N 3.12Å; T241-R244 WeakPolarHBondContact O-CB 3.42Å; T241-R244 PolarHBondContact O-N 2.98Å; Q242-R244 PolarHBondContact O-N 3.11Å; R244-F246 VanDerWaalsContact C-N 3.26Å; R244-F246 PolarHBondContact O-N 2.92Å; R244-R247 WeakPolarHBondContact O-CA 3.16Å; R244-R247 PolarHBondContact O-N 3.33Å
245E95.8Very high96.2Very high140 Ų14074 Ų7465%0.65436%0.356SS*.Hα-helixtrans-62-35.4175.2-65.3-58.1139.800111.8T241 Q242 A243 R247T241-E245 PolarHBondContact O-N 3.27Å; Q242-E245 WeakPolarHBondContact O-CB 3.17Å; Q242-E245 PolarHBondContact O-N 3.06Å; A243-E245 PolarHBondContact O-N 3.12Å; E245-R247 PolarHBondContact O-N 3.35Å
246F95.6Very high95.9Very high71 Ų7175 Ų7531%0.31136%0.361SS..THydrogen-bonded Turntrans-78.63.8171.7-77.6-93.1000114.1N202 M206 Q242 A243 R244 F248N202-F246 HydrophobicContact CB-CE1 4.05Å; N202-F246 HydrophobicContact CB-CZ 4.15Å; M206-F246 HydrophobicContact CE-CB 4.28Å; M206-F246 HydrophobicContact CE-CD1 4.48Å; M206-F246 HydrophobicContact CE-CD2 3.92Å; M206-F246 HydrophobicContact CE-CE2 4.38Å; M206-F246 HydrophobicContact CE-CG 3.98Å; M206-F246 HydrophobicContact CG-CE2 4.37Å; Q242-F246 WeakPolarHBondContact O-CD2 3.4Å; Q242-F246 PolarHBondContact O-N 2.84Å; A243-F246 CarbonylContact O-C 3.5Å; A243-F246 PolarHBondContact O-N 3.42Å; R244-F246 VanDerWaalsContact C-N 3.26Å; R244-F246 PolarHBondContact O-N 2.92Å; F246-F248 HydrophobicContact CB-CD1 4.47Å; F246-F248 HydrophobicContact CB-CD2 3.5Å; F246-F248 VanDerWaalsContact CB-CD2 3.5Å; F246-F248 HydrophobicContact CB-CE1 4.37Å; F246-F248 HydrophobicContact CB-CE2 3.42Å; F246-F248 VanDerWaalsContact CB-CE2 3.42Å; F246-F248 HydrophobicContact CB-CG 4.05Å; F246-F248 HydrophobicContact CB-CZ 3.89Å; F246-F248 HydrophobicContact CD1-CE2 4.15Å; F246-F248 HydrophobicContact CD1-CZ 4.39Å; F246-F248 HydrophobicContact CG-CD2 4.39Å; F246-F248 AromaticContact CG-CE2 3.98Å; F246-F248 HydrophobicContact CG-CE2 3.98Å; F246-F248 WeakPolarHBondContact O-CD1 3.39Å; F246-F248 WeakPolarHBondContact O-CE1 3.45Å; F246-F248 PolarHBondContact O-N 3.05Å
247R95.3Very high95.7Very high212 Ų21277.6 Ų77.680%0.837%0.372SS*.THydrogen-bonded Turntrans61.323-174.5-50.8178177.7-176.3-1.4113.9A243 R244 E245A243-R247 PolarHBondContact O-N 3.45Å; R244-R247 WeakPolarHBondContact O-CA 3.16Å; R244-R247 PolarHBondContact O-N 3.33Å; E245-R247 PolarHBondContact O-N 3.35Å
248F98Very high95.5Very high5 Ų579.1 Ų79.12%0.02237%0.373CS..  trans-87.7144.5170.3-51.9-32.3000109.6V189 V191 M195 D198 W199 M206 A243 F246V189-F248 HydrophobicContact CG1-CB 3.78Å; V191-F248 HydrophobicContact CB-CD1 4.4Å; V191-F248 HydrophobicContact CG1-CD1 3.93Å; V191-F248 HydrophobicContact CG1-CE1 3.75Å; V191-F248 HydrophobicContact CG1-CZ 4.36Å; V191-F248 HydrophobicContact CG2-CD1 4.28Å; V191-F248 HydrophobicContact CG2-CG 4.34Å; M195-F248 HydrophobicContact CB-CE1 3.73Å; M195-F248 HydrophobicContact CB-CZ 4.32Å; M195-F248 HydrophobicContact CG-CE1 4.41Å; D198-F248 HydrophobicContact CB-CZ 4.36Å; W199-F248 HydrophobicContact CB-CE2 4.29Å; W199-F248 HydrophobicContact CB-CZ 4.18Å; W199-F248 AromaticContact CE3-CD2 3.57Å; W199-F248 HydrophobicContact CE3-CD2 3.57Å; W199-F248 AromaticContact CE3-CE2 3.71Å; W199-F248 HydrophobicContact CE3-CE2 3.71Å; W199-F248 HydrophobicContact CE3-CG 4.33Å; W199-F248 HydrophobicContact CZ3-CD2 4Å; M206-F248 HydrophobicContact CE-CD2 3.54Å; M206-F248 HydrophobicContact CE-CE2 3.43Å; M206-F248 VanDerWaalsContact CE-CE2 3.43Å; A243-F248 CarbonylContact C-O 3.55Å; A243-F248 HydrophobicContact CB-CB 4.24Å; A243-F248 WeakPolarHBondContact O-CA 3.36Å; A243-F248 WeakPolarHBondContact O-CB 3.49Å; A243-F248 PolarHBondContact O-N 3.18Å; F246-F248 HydrophobicContact CB-CD1 4.47Å; F246-F248 HydrophobicContact CB-CD2 3.5Å; F246-F248 VanDerWaalsContact CB-CD2 3.5Å; F246-F248 HydrophobicContact CB-CE1 4.37Å; F246-F248 HydrophobicContact CB-CE2 3.42Å; F246-F248 VanDerWaalsContact CB-CE2 3.42Å; F246-F248 HydrophobicContact CB-CG 4.05Å; F246-F248 HydrophobicContact CB-CZ 3.89Å; F246-F248 HydrophobicContact CD1-CE2 4.15Å; F246-F248 HydrophobicContact CD1-CZ 4.39Å; F246-F248 HydrophobicContact CG-CD2 4.39Å; F246-F248 AromaticContact CG-CE2 3.98Å; F246-F248 HydrophobicContact CG-CE2 3.98Å; F246-F248 WeakPolarHBondContact O-CD1 3.39Å; F246-F248 WeakPolarHBondContact O-CE1 3.45Å; F246-F248 PolarHBondContact O-N 3.05Å
249V97.5Very high95.2Very high65 Ų6581.6 Ų81.639%0.39438%0.38SS..EExtended strand (participates in β ladder)trans-110.6106.3-176.9-179.90000109.1L164 V190 R251L164-V249 HydrophobicContact CD2-CB 3.79Å; L164-V249 HydrophobicContact CD2-CG1 4.01Å; L164-V249 HydrophobicContact CD2-CG2 3.78Å; V190-V249 HydrophobicContact CB-CB 4.3Å; V190-V249 PolarHBondContact N-O 3.31Å; V190-V249 PolarHBondContact O-N 3.48Å; V249-R251 PolarHBondContact O-N 3.29Å
250V97.7Very high94.9Very high27 Ų2782.4 Ų82.416%0.16438%0.384CS..EExtended strand (participates in β ladder)trans-72.5119.3170.4-1740000108.6L187 V189 F239 K240 A243L187-V250 HydrophobicContact CB-CG1 4.15Å; L187-V250 HydrophobicContact CD1-CG1 4.06Å; V189-V250 HydrophobicContact CG1-CG2 4.46Å; V189-V250 HydrophobicContact CG2-CG2 4.14Å; F239-V250 HydrophobicContact CD1-CG2 4.34Å; F239-V250 HydrophobicContact CE1-CG2 4.37Å; K240-V250 HydrophobicContact CG-CB 3.96Å; K240-V250 HydrophobicContact CG-CG1 3.94Å; K240-V250 HydrophobicContact CG-CG2 4.08Å; A243-V250 HydrophobicContact CB-CG2 3.61Å
251R96.6Very high94.7Very high38 Ų3882 Ų8214%0.14338%0.383CS..EExtended strand (participates in β ladder)trans-74.6135.5176.5-70.2-67.5-52.4-1030.1109.6L163 L164 R166 L168 V188 V190 V249 F253L163-R251 PolarHBondContact O-NH1 3.18Å; L164-R251 PolarHBondContact O-NE 2.89Å; L164-R251 PolarHBondContact O-NH1 2.89Å; R166-R251 VanDerWaalsContact O-CZ 3.25Å; R166-R251 PolarHBondContact O-NH1 2.87Å; R166-R251 PolarHBondContact O-NH2 2.97Å; L168-R251 HydrophobicContact CD1-CB 4.01Å; L168-R251 HydrophobicContact CD1-CG 4.11Å; V188-R251 HydrophobicContact CB-CB 4.46Å; V188-R251 PolarHBondContact O-N 3.41Å; V190-R251 HydrophobicContact CG2-CG 3.67Å; V249-R251 PolarHBondContact O-N 3.29Å; R251-F253 VanDerWaalsContact C-N 3.28Å; R251-F253 HydrophobicContact CB-CB 4.41Å; R251-F253 PolarHBondContact O-N 3.26Å
252D93.1Very high94.4Very high147 Ų14783.3 Ų83.379%0.78638%0.384SS*.  trans-74.486.9167.8-168.915.6000108.9
253F94.2Very high94Very high38 Ų3880.6 Ų80.617%0.16737%0.374CS..  trans-141.4130.6-176.1179.4-97.4000109.7L168 V172 F177 V188 R251 Y255 I260L168-F253 HydrophobicContact CB-CD2 3.98Å; L168-F253 HydrophobicContact CB-CE2 3.95Å; L168-F253 HydrophobicContact CB-CG 4.43Å; L168-F253 HydrophobicContact CB-CZ 4.38Å; L168-F253 HydrophobicContact CD1-CB 3.95Å; L168-F253 HydrophobicContact CD1-CD1 4.41Å; L168-F253 HydrophobicContact CD1-CD2 4.15Å; L168-F253 HydrophobicContact CD1-CG 3.9Å; L168-F253 HydrophobicContact CG-CD2 4.38Å; V172-F253 HydrophobicContact CG1-CE1 4.47Å; V172-F253 HydrophobicContact CG2-CE1 4.11Å; V172-F253 HydrophobicContact CG2-CZ 3.75Å; F177-F253 AromaticContact CE1-CD1 3.87Å; F177-F253 HydrophobicContact CE1-CD1 3.87Å; F177-F253 AromaticContact CE1-CE1 3.72Å; F177-F253 HydrophobicContact CE1-CE1 3.72Å; F177-F253 HydrophobicContact CE2-CE1 4.46Å; F177-F253 HydrophobicContact CZ-CD1 4.07Å; F177-F253 AromaticContact CZ-CE1 3.66Å; F177-F253 HydrophobicContact CZ-CE1 3.66Å; V188-F253 HydrophobicContact CG2-CD1 3.73Å; V188-F253 HydrophobicContact CG2-CE1 4.47Å; V188-F253 HydrophobicContact CG2-CG 4.48Å; R251-F253 VanDerWaalsContact C-N 3.28Å; R251-F253 HydrophobicContact CB-CB 4.41Å; R251-F253 PolarHBondContact O-N 3.26Å; F253-Y255 HydrophobicContact CE1-CD2 4.34Å; F253-Y255 HydrophobicContact CZ-CD2 4.44Å; F253-I260 HydrophobicContact CZ-CD1 4.35Å
254T91.3Very high93.6Very high117 Ų11786.4 Ų86.472%0.71840%0.396SS*.  trans-122.5126.2170.7-59.90000107.6D256T254-D256 PolarHBondContact O-N 3.12Å
255Y93.4Very high93.5Very high22 Ų2281.1 Ų81.19%0.08638%0.382CS..  trans-65.2123177.9-170.5-87.1000110.3V172 R174 F177 V179 F253 E257 I260V172-Y255 HydrophobicContact CG2-CD2 3.94Å; V172-Y255 HydrophobicContact CG2-CE2 3.9Å; R174-Y255 WeakPolarHBondContact CA-OH 3.41Å; R174-Y255 HydrophobicContact CB-CE1 3.95Å; R174-Y255 WeakPolarHBondContact CB-OH 3.42Å; R174-Y255 HydrophobicContact CG-CE1 3.91Å; R174-Y255 PolarHBondContact N-OH 2.7Å; F177-Y255 HydrophobicContact CB-CD2 4.47Å; F177-Y255 HydrophobicContact CB-CG 4.06Å; F177-Y255 HydrophobicContact CD1-CG 4.38Å; F177-Y255 AromaticContact CD2-CD2 3.49Å; F177-Y255 HydrophobicContact CD2-CD2 3.49Å; F177-Y255 VanDerWaalsContact CD2-CD2 3.49Å; F177-Y255 HydrophobicContact CD2-CE2 4.22Å; F177-Y255 AromaticContact CD2-CG 3.92Å; F177-Y255 HydrophobicContact CD2-CG 3.92Å; F177-Y255 AromaticContact CE2-CD2 3.85Å; F177-Y255 HydrophobicContact CE2-CD2 3.85Å; F177-Y255 AromaticContact CG-CD2 3.9Å; F177-Y255 HydrophobicContact CG-CD2 3.9Å; F177-Y255 AromaticContact CG-CG 3.84Å; F177-Y255 HydrophobicContact CG-CG 3.84Å; F177-Y255 HydrophobicContact CZ-CD2 4.44Å; V179-Y255 HydrophobicContact CG2-CD1 3.91Å; F253-Y255 HydrophobicContact CE1-CD2 4.34Å; F253-Y255 HydrophobicContact CZ-CD2 4.44Å; Y255-E257 HydrophobicContact CE1-CB 4.06Å; Y255-E257 WeakPolarHBondContact CE1-OE2 3.45Å; Y255-E257 VanDerWaalsContact CZ-OE2 3.31Å; Y255-E257 PolarHBondContact OH-OE2 2.79Å; Y255-I260 HydrophobicContact CD2-CD1 3.92Å; Y255-I260 HydrophobicContact CE2-CD1 3.63Å
256D92.6Very high93.3Very high48 Ų4879.4 Ų79.426%0.25737%0.374SS..  trans-140.997.8178-174.9-29.1000107.7T254 K258 K259 I260T254-D256 PolarHBondContact O-N 3.12Å; D256-K258 PolarHBondContact O-N 3.49Å; D256-K258 WeakPolarHBondContact OD1-CB 3.17Å; D256-K258 PolarHBondContact OD1-N 3.21Å; D256-K258 VanDerWaalsContact OD1-N 3.15Å; D256-K259 HydrophobicContact CB-CB 4.06Å; D256-K259 HydrophobicContact CB-CD 4.09Å; D256-K259 HydrophobicContact CB-CG 4.19Å; D256-K259 PolarHBondContact O-N 2.76Å; D256-K259 VanDerWaalsContact O-N 3.17Å; D256-K259 PolarHBondContact OD1-N 3.35Å; D256-K259 VanDerWaalsContact OD1-N 3.14Å; D256-K259 VanDerWaalsContact OD2-CD 3.29Å; D256-K259 WeakPolarHBondContact OD2-CD 3.45Å; D256-K259 WeakPolarHBondContact OD2-CE 3.34Å; D256-K259 WeakPolarHBondContact OD2-CG 3.34Å; D256-K259 IonicContact OD2-NZ 2.75Å; D256-K259 PolarHBondContact OD2-NZ 2.97Å; D256-I260 WeakPolarHBondContact O-CG1 3.45Å; D256-I260 PolarHBondContact O-N 2.58Å
257E91.8Very high93.1Very high78 Ų7877.1 Ų77.136%0.36437%0.365SS..Hα-helixtrans-51.3-41.3-178.1-171.271.6-135.700111.6Y255 I260 E261Y255-E257 HydrophobicContact CE1-CB 4.06Å; Y255-E257 WeakPolarHBondContact CE1-OE2 3.45Å; Y255-E257 VanDerWaalsContact CZ-OE2 3.31Å; Y255-E257 PolarHBondContact OH-OE2 2.79Å; E257-I260 PolarHBondContact O-N 2.68Å; E257-E261 VanDerWaalsContact O-CB 3.28Å; E257-E261 WeakPolarHBondContact O-CB 3.21Å; E257-E261 PolarHBondContact O-N 2.89Å
258K92.6Very high93Very high143 Ų14370.3 Ų70.362%0.62235%0.35SS*.Hα-helixtrans-67.6-45.5-176.5-172.4-177.6176.6-168.60110.8D256 E261 E262D256-K258 PolarHBondContact O-N 3.49Å; D256-K258 WeakPolarHBondContact OD1-CB 3.17Å; D256-K258 PolarHBondContact OD1-N 3.21Å; D256-K258 VanDerWaalsContact OD1-N 3.15Å; K258-E261 PolarHBondContact O-N 2.77Å; K258-E262 WeakPolarHBondContact CE-OE1 3.46Å; K258-E262 IonicContact NZ-OE1 3.98Å; K258-E262 WeakPolarHBondContact O-CB 3.23Å; K258-E262 VanDerWaalsContact O-CG 3.25Å; K258-E262 WeakPolarHBondContact O-CG 3.48Å; K258-E262 PolarHBondContact O-N 3.39Å
259K91Very high92.8Very high135 Ų13576.6 Ų76.659%0.58738%0.377SS*.Hα-helixtrans-65.8-39.6177.5-72.3-178.6-172.4124.70112.6D256 E262 S263D256-K259 HydrophobicContact CB-CB 4.06Å; D256-K259 HydrophobicContact CB-CD 4.09Å; D256-K259 HydrophobicContact CB-CG 4.19Å; D256-K259 PolarHBondContact O-N 2.76Å; D256-K259 VanDerWaalsContact O-N 3.17Å; D256-K259 PolarHBondContact OD1-N 3.35Å; D256-K259 VanDerWaalsContact OD1-N 3.14Å; D256-K259 VanDerWaalsContact OD2-CD 3.29Å; D256-K259 WeakPolarHBondContact OD2-CD 3.45Å; D256-K259 WeakPolarHBondContact OD2-CE 3.34Å; D256-K259 WeakPolarHBondContact OD2-CG 3.34Å; D256-K259 IonicContact OD2-NZ 2.75Å; D256-K259 PolarHBondContact OD2-NZ 2.97Å; K259-E262 PolarHBondContact O-N 3.25Å; K259-S263 WeakPolarHBondContact O-CB 3.45Å; K259-S263 PolarHBondContact O-N 3.17Å
260I91.9Very high92.7Very high16 Ų1674.6 Ų74.68%0.08237%0.365CS..Hα-helixtrans-62-47.3177.2-67.7170.3000109.8G169 V172 F253 Y255 D256 E257 S263 R264G169-I260 VanDerWaalsContact O-CG2 3.24Å; G169-I260 WeakPolarHBondContact O-CG2 3.3Å; V172-I260 HydrophobicContact CG2-CD1 4.2Å; F253-I260 HydrophobicContact CZ-CD1 4.35Å; Y255-I260 HydrophobicContact CD2-CD1 3.92Å; Y255-I260 HydrophobicContact CE2-CD1 3.63Å; D256-I260 WeakPolarHBondContact O-CG1 3.45Å; D256-I260 PolarHBondContact O-N 2.58Å; E257-I260 PolarHBondContact O-N 2.68Å; I260-S263 PolarHBondContact O-N 2.88Å; I260-R264 WeakPolarHBondContact O-CB 3.47Å; I260-R264 PolarHBondContact O-N 3.39Å
261E92.4Very high92.5Very high68 Ų6876.5 Ų76.532%0.31837%0.372SS..Hα-helixtrans-68.8-37.2-179.9-171.453.4-149.600112E257 K258 R264 N265E257-E261 VanDerWaalsContact O-CB 3.28Å; E257-E261 WeakPolarHBondContact O-CB 3.21Å; E257-E261 PolarHBondContact O-N 2.89Å; K258-E261 PolarHBondContact O-N 2.77Å; E261-R264 PolarHBondContact O-N 2.68Å; E261-R264 IonicContact OE2-CZ 3.56Å; E261-R264 IonicContact OE2-NH1 2.66Å; E261-R264 PolarHBondContact OE2-NH1 3.04Å; E261-N265 WeakPolarHBondContact CG-ND2 3.39Å; E261-N265 VanDerWaalsContact O-CB 3.31Å; E261-N265 WeakPolarHBondContact O-CB 3.48Å; E261-N265 VanDerWaalsContact O-CG 3.28Å; E261-N265 PolarHBondContact O-N 2.72Å; E261-N265 PolarHBondContact O-ND2 3.3Å; E261-N265 PolarHBondContact OE1-ND2 3.3Å
262E91.5Very high92.5Very high105 Ų10577.8 Ų77.849%0.49139%0.386SS..Hα-helixtrans-59.9-46.6171.8-77.9172.7176.600112.1K258 K259 N265 E266K258-E262 WeakPolarHBondContact CE-OE1 3.46Å; K258-E262 IonicContact NZ-OE1 3.98Å; K258-E262 WeakPolarHBondContact O-CB 3.23Å; K258-E262 VanDerWaalsContact O-CG 3.25Å; K258-E262 WeakPolarHBondContact O-CG 3.48Å; K258-E262 PolarHBondContact O-N 3.39Å; K259-E262 PolarHBondContact O-N 3.25Å; E262-N265 PolarHBondContact O-N 2.67Å; E262-E266 WeakPolarHBondContact O-CB 3.42Å; E262-E266 PolarHBondContact O-N 3.05Å
263S88.7Confident92.6Very high21 Ų2172.1 Ų72.115%0.14736%0.356CS..Hα-helixtrans-63-42.8177.8-1720000111.8K259 I260 E266 L267K259-S263 WeakPolarHBondContact O-CB 3.45Å; K259-S263 PolarHBondContact O-N 3.17Å; I260-S263 PolarHBondContact O-N 2.88Å; S263-E266 PolarHBondContact O-N 3.25Å; S263-L267 PolarHBondContact O-N 2.66Å
264R89.5Confident92.6Very high122 Ų12272.3 Ų72.346%0.4636%0.357SS..Hα-helixtrans-63-44.4175.5-174.5-175.3-71.1148.7-5.1112.1I260 E261 E266 L267 S268I260-R264 WeakPolarHBondContact O-CB 3.47Å; I260-R264 PolarHBondContact O-N 3.39Å; E261-R264 PolarHBondContact O-N 2.68Å; E261-R264 IonicContact OE2-CZ 3.56Å; E261-R264 IonicContact OE2-NH1 2.66Å; E261-R264 PolarHBondContact OE2-NH1 3.04Å; R264-E266 VanDerWaalsContact C-N 3.34Å; R264-L267 PolarHBondContact O-N 2.74Å; R264-S268 PolarHBondContact O-N 2.95Å
265N92.6Very high92.7Very high85 Ų8574 Ų7446%0.45535%0.354SS..Hα-helixtrans-65.8-37.3177.6-77.5-48.2000112E261 E262 K269E261-N265 WeakPolarHBondContact CG-ND2 3.39Å; E261-N265 VanDerWaalsContact O-CB 3.31Å; E261-N265 WeakPolarHBondContact O-CB 3.48Å; E261-N265 VanDerWaalsContact O-CG 3.28Å; E261-N265 PolarHBondContact O-N 2.72Å; E261-N265 PolarHBondContact O-ND2 3.3Å; E261-N265 PolarHBondContact OE1-ND2 3.3Å; E262-N265 PolarHBondContact O-N 2.67Å; N265-K269 WeakPolarHBondContact O-CB 3.35Å; N265-K269 PolarHBondContact O-N 3.36Å
266E92Very high92.8Very high105 Ų10579.9 Ų79.949%0.49138%0.376SS..Hα-helixtrans-62.3-47.3174.1-173.1176.8-170.500111.7L155 E262 S263 R264 K269 L270L155-E266 HydrophobicContact CD1-CG 4.15Å; E262-E266 WeakPolarHBondContact O-CB 3.42Å; E262-E266 PolarHBondContact O-N 3.05Å; S263-E266 PolarHBondContact O-N 3.25Å; R264-E266 VanDerWaalsContact C-N 3.34Å; E266-K269 PolarHBondContact O-N 3.03Å; E266-L270 HydrophobicContact CG-CD1 4.21Å; E266-L270 WeakPolarHBondContact O-CG 3.46Å; E266-L270 PolarHBondContact O-N 3.42Å
267L91.1Very high93Very high22 Ų2280.6 Ų80.612%0.11538%0.378CS..Hα-helixtrans-57.9-52.1176.3-170.289.9000111.2L152 L155 E156 S263 R264 K269 L270 E271L152-L267 HydrophobicContact CD1-CD1 4.14Å; L155-L267 HydrophobicContact CB-CD1 3.7Å; L155-L267 HydrophobicContact CD1-CD1 4.26Å; E156-L267 HydrophobicContact CG-CD1 4.39Å; S263-L267 PolarHBondContact O-N 2.66Å; R264-L267 PolarHBondContact O-N 2.74Å; L267-K269 VanDerWaalsContact C-N 3.27Å; L267-K269 PolarHBondContact O-N 3.41Å; L267-L270 PolarHBondContact O-N 3.38Å; L267-L270 VanDerWaalsContact O-N 3.14Å; L267-E271 PolarHBondContact O-N 3.37Å
268S93.1Very high93.2Very high70 Ų7080.1 Ų80.149%0.4938%0.375SS..Hα-helixtrans-59.2-39.9180-174.50000112.1R264 S272R264-S268 PolarHBondContact O-N 2.95Å; S268-S272 WeakPolarHBondContact O-CB 3.2Å; S268-S272 PolarHBondContact O-N 3.1Å
269K95Very high93.3Very high136 Ų13676.1 Ų76.159%0.59137%0.369SS*.Hα-helixtrans-63-47175.2-177.8-177.8176.3-174.20111.6N265 E266 L267 S272 D273N265-K269 WeakPolarHBondContact O-CB 3.35Å; N265-K269 PolarHBondContact O-N 3.36Å; E266-K269 PolarHBondContact O-N 3.03Å; L267-K269 VanDerWaalsContact C-N 3.27Å; L267-K269 PolarHBondContact O-N 3.41Å; K269-S272 PolarHBondContact O-N 2.76Å; K269-D273 WeakPolarHBondContact O-CB 3.26Å; K269-D273 PolarHBondContact O-N 3.49Å
270L94.1Very high93.6Very high24 Ų2473.6 Ų73.613%0.12637%0.366CS..Hα-helixtrans-65.8-37.9179.4-69.4173.9000112.3L148 C151 L152 L155 E266 L267 D273 K274L148-L270 HydrophobicContact CD1-CB 4.27Å; L148-L270 HydrophobicContact CD1-CD2 3.54Å; L148-L270 HydrophobicContact CD1-CG 4.5Å; C151-L270 HydrophobicContact CB-CD1 4.2Å; L152-L270 HydrophobicContact CD1-CB 3.98Å; L155-L270 HydrophobicContact CD1-CD1 3.53Å; E266-L270 HydrophobicContact CG-CD1 4.21Å; E266-L270 WeakPolarHBondContact O-CG 3.46Å; E266-L270 PolarHBondContact O-N 3.42Å; L267-L270 PolarHBondContact O-N 3.38Å; L267-L270 VanDerWaalsContact O-N 3.14Å; L270-D273 PolarHBondContact O-N 3.42Å; L270-K274 WeakPolarHBondContact O-CB 3.44Å; L270-K274 PolarHBondContact O-N 2.9Å
271E94.6Very high93.9Very high67 Ų6773.4 Ų73.431%0.31337%0.365SS..Hα-helixtrans-62.6-45.2172.9-73.6-175.6-170.300112.2L152 L267 D273 K274 K275L152-E271 HydrophobicContact CD1-CG 3.69Å; L152-E271 HydrophobicContact CD2-CG 4.37Å; L267-E271 PolarHBondContact O-N 3.37Å; E271-D273 VanDerWaalsContact C-N 3.35Å; E271-K274 PolarHBondContact O-N 2.96Å; E271-K275 WeakPolarHBondContact O-CG 3.23Å; E271-K275 PolarHBondContact O-N 2.91Å
272S95.6Very high94.2Very high64 Ų6471.3 Ų71.345%0.44836%0.355SS..Hα-helixtrans-62.5-43.2176.2-1770000111.2S268 K269 K275 R276S268-S272 WeakPolarHBondContact O-CB 3.2Å; S268-S272 PolarHBondContact O-N 3.1Å; K269-S272 PolarHBondContact O-N 2.76Å; S272-K275 PolarHBondContact O-N 3.28Å; S272-R276 VanDerWaalsContact O-CB 3.3Å; S272-R276 WeakPolarHBondContact O-CB 3.37Å; S272-R276 PolarHBondContact O-N 2.95Å
273D95.3Very high94.5Very high28 Ų2875.4 Ų75.415%0.1537%0.366CS..Hα-helixtrans-61.6-43.1175-73.9-11.1000111.2L148 K269 L270 E271 R276 Q277L148-D273 HydrophobicContact CD1-CB 4.04Å; L148-D273 HydrophobicContact CD2-CB 4.03Å; K269-D273 WeakPolarHBondContact O-CB 3.26Å; K269-D273 PolarHBondContact O-N 3.49Å; L270-D273 PolarHBondContact O-N 3.42Å; E271-D273 VanDerWaalsContact C-N 3.35Å; D273-R276 PolarHBondContact O-N 2.95Å; D273-R276 IonicContact OD1-CZ 3.95Å; D273-R276 IonicContact OD1-NH1 2.69Å; D273-R276 PolarHBondContact OD1-NH1 3.41Å; D273-R276 IonicContact OD1-NH2 2.98Å; D273-R276 PolarHBondContact OD1-NH2 2.91Å; D273-Q277 WeakPolarHBondContact O-CB 3.48Å; D273-Q277 WeakPolarHBondContact O-CG 3.28Å; D273-Q277 PolarHBondContact O-N 3.21Å
274K94.8Very high94.9Very high43 Ų4376.3 Ų76.319%0.18737%0.366CS..Hα-helixtrans-60.2-49.7177.7-176.9-175.6176-174.50110E83 Y145 L148 L152 L270 E271 R276 Q277 F278E83-K274 IonicContact OE1-NZ 2.64Å; E83-K274 PolarHBondContact OE1-NZ 2.81Å; E83-K274 IonicContact OE2-NZ 2.73Å; E83-K274 PolarHBondContact OE2-NZ 3.37Å; Y145-K274 HydrophobicContact CE2-CG 4.21Å; L148-K274 HydrophobicContact CD2-CB 4.23Å; L148-K274 HydrophobicContact CG-CB 4.4Å; L152-K274 HydrophobicContact CD2-CD 3.81Å; L270-K274 WeakPolarHBondContact O-CB 3.44Å; L270-K274 PolarHBondContact O-N 2.9Å; E271-K274 PolarHBondContact O-N 2.96Å; K274-R276 VanDerWaalsContact C-N 3.35Å; K274-R276 PolarHBondContact O-N 3Å; K274-Q277 PolarHBondContact O-N 2.92Å; K274-F278 WeakPolarHBondContact O-CB 3.49Å; K274-F278 PolarHBondContact O-N 3.16Å
275K93.8Very high95.4Very high153 Ų15370.5 Ų70.567%0.66534%0.344SS*.Hα-helixtrans-60-42.8177.3-72.6170.5-178.7163.90111.8E271 S272E271-K275 WeakPolarHBondContact O-CG 3.23Å; E271-K275 PolarHBondContact O-N 2.91Å; S272-K275 PolarHBondContact O-N 3.28Å
276R95.5Very high95.6Very high144 Ų14469.7 Ų69.754%0.54334%0.337SS..Hα-helixtrans-66.9-39.5179.4-172.5176.170.6-104.3-0112.6S272 D273 K274 P280S272-R276 VanDerWaalsContact O-CB 3.3Å; S272-R276 WeakPolarHBondContact O-CB 3.37Å; S272-R276 PolarHBondContact O-N 2.95Å; D273-R276 PolarHBondContact O-N 2.95Å; D273-R276 IonicContact OD1-CZ 3.95Å; D273-R276 IonicContact OD1-NH1 2.69Å; D273-R276 PolarHBondContact OD1-NH1 3.41Å; D273-R276 IonicContact OD1-NH2 2.98Å; D273-R276 PolarHBondContact OD1-NH2 2.91Å; K274-R276 VanDerWaalsContact C-N 3.35Å; K274-R276 PolarHBondContact O-N 3Å; R276-P280 WeakPolarHBondContact O-CD 3.43Å
277Q95.7Very high95.9Very high63 Ų6368.4 Ų68.429%0.29434%0.336SS..Hα-helixtrans-79.6-28-178.8-70.1-168.932.800113.3Y145 L148 D273 K274 A279 P280 L281Y145-Q277 HydrophobicContact CD2-CB 4.08Å; Y145-Q277 HydrophobicContact CE2-CB 4.38Å; L148-Q277 HydrophobicContact CD2-CG 4.35Å; D273-Q277 WeakPolarHBondContact O-CB 3.48Å; D273-Q277 WeakPolarHBondContact O-CG 3.28Å; D273-Q277 PolarHBondContact O-N 3.21Å; K274-Q277 PolarHBondContact O-N 2.92Å; Q277-A279 PolarHBondContact O-N 3.31Å; Q277-P280 WeakPolarHBondContact O-CD 3.44Å; Q277-L281 VanDerWaalsContact O-CB 3.23Å; Q277-L281 WeakPolarHBondContact O-CB 3.32Å; Q277-L281 PolarHBondContact O-N 3.29Å; Q277-L281 VanDerWaalsContact O-N 3.09Å
278F96.5Very high96.2Very high68 Ų6868.5 Ų68.530%0.29834%0.337SS..Hα-helixtrans-56.3-54.1-178.1174.4-95.8000112.7V81 Y145 K274 L281 F282V81-F278 HydrophobicContact CG1-CD2 3.69Å; V81-F278 HydrophobicContact CG1-CE2 3.47Å; V81-F278 VanDerWaalsContact CG1-CE2 3.47Å; V81-F278 WeakPolarHBondContact O-CE2 3.49Å; Y145-F278 HydrophobicContact CE2-CB 4.3Å; K274-F278 WeakPolarHBondContact O-CB 3.49Å; K274-F278 PolarHBondContact O-N 3.16Å; F278-L281 PolarHBondContact O-N 3.41Å; F278-F282 HydrophobicContact CE1-CB 4.46Å; F278-F282 HydrophobicContact CZ-CB 4.43Å; F278-F282 HydrophobicContact CZ-CG 4.33Å; F278-F282 VanDerWaalsContact O-CB 3.29Å; F278-F282 WeakPolarHBondContact O-CB 3.31Å; F278-F282 PolarHBondContact O-N 2.9Å
279A95.5Very high96.5Very high60 Ų6065.1 Ų65.150%0.49631%0.313SS..Hα-helixtrans-64.4-46-17300000113.6Q277 F282 R283Q277-A279 PolarHBondContact O-N 3.31Å; A279-F282 PolarHBondContact O-N 3.41Å; A279-R283 WeakPolarHBondContact O-CB 3.31Å; A279-R283 PolarHBondContact O-N 2.95Å
280P97.3Very high96.6Very high82 Ų8258.9 Ų58.953%0.53229%0.288SS..Hα-helixtrans-61.3-41.7172.7-24.634.7000113.3R276 Q277 W284R276-P280 WeakPolarHBondContact O-CD 3.43Å; Q277-P280 WeakPolarHBondContact O-CD 3.44Å; P280-W284 WeakPolarHBondContact O-CB 3.19Å; P280-W284 PolarHBondContact O-N 2.84Å
281L98.2Very high96.8Very high12 Ų1259.8 Ų59.86%0.06329%0.291CS..Hα-helixtrans-61.3-50.2176.917561.1000110.9Y77 V81 K141 Y145 Q277 F278 R283 W284 L285Y77-L281 HydrophobicContact CE1-CD1 4.42Å; Y77-L281 HydrophobicContact CE1-CD2 4.22Å; V81-L281 HydrophobicContact CG1-CD2 4.44Å; V81-L281 HydrophobicContact CG2-CD2 4.04Å; K141-L281 HydrophobicContact CB-CD1 3.84Å; K141-L281 HydrophobicContact CD-CD1 4.39Å; Y145-L281 HydrophobicContact CD1-CD2 3.69Å; Y145-L281 HydrophobicContact CD2-CD2 3.76Å; Y145-L281 HydrophobicContact CE1-CD2 4.28Å; Y145-L281 HydrophobicContact CE2-CD2 4.35Å; Y145-L281 HydrophobicContact CG-CD2 3.39Å; Q277-L281 VanDerWaalsContact O-CB 3.23Å; Q277-L281 WeakPolarHBondContact O-CB 3.32Å; Q277-L281 PolarHBondContact O-N 3.29Å; Q277-L281 VanDerWaalsContact O-N 3.09Å; F278-L281 PolarHBondContact O-N 3.41Å; L281-R283 VanDerWaalsContact C-N 3.34Å; L281-R283 PolarHBondContact O-N 2.93Å; L281-W284 WeakPolarHBondContact O-CB 3.37Å; L281-W284 PolarHBondContact O-N 3.05Å; L281-W284 VanDerWaalsContact O-N 3.13Å; L281-L285 HydrophobicContact CD1-CD1 4.2Å; L281-L285 HydrophobicContact CD1-CG 4.27Å; L281-L285 HydrophobicContact CG-CD1 4.02Å; L281-L285 WeakPolarHBondContact O-CG 3.26Å; L281-L285 PolarHBondContact O-N 2.93Å
282F97.7Very high97Very high24 Ų2456.6 Ų56.611%0.10528%0.276CS..Hα-helixtrans-63.5-40.6-178.2-168.1-113.6000111.9M78 V81 L82 N92 F278 A279 L285 K286M78-F282 HydrophobicContact CG-CD2 4.1Å; M78-F282 HydrophobicContact CG-CE2 3.51Å; M78-F282 HydrophobicContact CG-CZ 4.35Å; M78-F282 HydrophobicContact SD-CE2 4.22Å; V81-F282 HydrophobicContact CG1-CD2 4.37Å; L82-F282 HydrophobicContact CD1-CE2 4.02Å; L82-F282 HydrophobicContact CD1-CZ 4.18Å; L82-F282 HydrophobicContact CD2-CD2 4.49Å; L82-F282 HydrophobicContact CD2-CE1 4.45Å; L82-F282 HydrophobicContact CD2-CE2 3.61Å; L82-F282 HydrophobicContact CD2-CZ 3.59Å; L82-F282 HydrophobicContact CG-CE2 3.62Å; L82-F282 HydrophobicContact CG-CZ 4.02Å; N92-F282 HydrophobicContact CB-CZ 4.1Å; F278-F282 HydrophobicContact CE1-CB 4.46Å; F278-F282 HydrophobicContact CZ-CB 4.43Å; F278-F282 HydrophobicContact CZ-CG 4.33Å; F278-F282 VanDerWaalsContact O-CB 3.29Å; F278-F282 WeakPolarHBondContact O-CB 3.31Å; F278-F282 PolarHBondContact O-N 2.9Å; A279-F282 PolarHBondContact O-N 3.41Å; F282-L285 PolarHBondContact O-N 2.93Å; F282-K286 HydrophobicContact CD1-CD 4.42Å; F282-K286 HydrophobicContact CE1-CD 4.22Å; F282-K286 WeakPolarHBondContact O-CG 3.18Å; F282-K286 PolarHBondContact O-N 2.84Å
283R97.4Very high97.1Very high190 Ų19053.5 Ų53.572%0.71726%0.255SS*.Hα-helixtrans-61.7-43.5172.4-174.7176.7-175.1128.21.2111.8A279 L281 L285 K286 V287A279-R283 WeakPolarHBondContact O-CB 3.31Å; A279-R283 PolarHBondContact O-N 2.95Å; L281-R283 VanDerWaalsContact C-N 3.34Å; L281-R283 PolarHBondContact O-N 2.93Å; R283-L285 VanDerWaalsContact C-N 3.35Å; R283-K286 PolarHBondContact O-N 3.21Å; R283-V287 WeakPolarHBondContact O-CG2 3.45Å; R283-V287 PolarHBondContact O-N 2.99Å; R283-V287 VanDerWaalsContact O-N 3.17Å
284W98.4Very high97.2Very high40 Ų4052.3 Ų52.315%0.15225%0.249CC..Hα-helixtrans-61.6-43.8177.1-17791.9000111.2V134 D137 L138 K141 P280 L281 K286 V287 N288V134-W284 HydrophobicContact CG1-CH2 4.39Å; D137-W284 HydrophobicContact CB-CH2 3.9Å; D137-W284 HydrophobicContact CB-CZ2 3.33Å; L138-W284 HydrophobicContact CB-CH2 3.92Å; L138-W284 HydrophobicContact CB-CZ3 4.11Å; L138-W284 HydrophobicContact CD1-CZ3 4.05Å; K141-W284 HydrophobicContact CD-CD2 3.53Å; K141-W284 HydrophobicContact CD-CE3 3.79Å; K141-W284 HydrophobicContact CD-CG 3.88Å; K141-W284 HydrophobicContact CD-CZ2 4.35Å; K141-W284 HydrophobicContact CD-CZ3 4.29Å; K141-W284 VanDerWaalsContact CE-CE2 3.49Å; P280-W284 WeakPolarHBondContact O-CB 3.19Å; P280-W284 PolarHBondContact O-N 2.84Å; L281-W284 WeakPolarHBondContact O-CB 3.37Å; L281-W284 PolarHBondContact O-N 3.05Å; L281-W284 VanDerWaalsContact O-N 3.13Å; W284-K286 PolarHBondContact O-N 3.14Å; W284-V287 PolarHBondContact O-N 3.25Å; W284-N288 HydrophobicContact CD2-CB 4.49Å; W284-N288 HydrophobicContact CE3-CB 4.47Å; W284-N288 HydrophobicContact CH2-CB 4.07Å; W284-N288 HydrophobicContact CZ2-CB 4.09Å; W284-N288 HydrophobicContact CZ3-CB 4.28Å; W284-N288 PolarHBondContact NE1-ND2 3.48Å; W284-N288 VanDerWaalsContact NE1-ND2 3.15Å; W284-N288 WeakPolarHBondContact O-CB 3.47Å; W284-N288 PolarHBondContact O-N 3.41Å; W284-N288 PolarHBondContact O-ND2 2.82Å
285L98.4Very high97.4Very high0 Ų050.3 Ų50.30%024%0.24CC..Hα-helixtrans-60.3-43.3177.4-69167.5000111.8V74 Y77 M78 V81 L138 L281 F282 R283 N288 F289V74-L285 HydrophobicContact CG1-CD2 4.13Å; Y77-L285 HydrophobicContact CD1-CD1 3.96Å; Y77-L285 HydrophobicContact CD1-CD2 3.89Å; Y77-L285 HydrophobicContact CE1-CD1 4.33Å; M78-L285 HydrophobicContact CB-CB 4.29Å; M78-L285 HydrophobicContact CB-CD1 4.31Å; M78-L285 HydrophobicContact CE-CB 3.8Å; M78-L285 WeakPolarHBondContact CE-O 3.32Å; M78-L285 HydrophobicContact CG-CB 4.34Å; V81-L285 HydrophobicContact CB-CD1 4.49Å; V81-L285 HydrophobicContact CG2-CD1 4.19Å; L138-L285 HydrophobicContact CD1-CD2 3.62Å; L281-L285 HydrophobicContact CD1-CD1 4.2Å; L281-L285 HydrophobicContact CD1-CG 4.27Å; L281-L285 HydrophobicContact CG-CD1 4.02Å; L281-L285 WeakPolarHBondContact O-CG 3.26Å; L281-L285 PolarHBondContact O-N 2.93Å; F282-L285 PolarHBondContact O-N 2.93Å; R283-L285 VanDerWaalsContact C-N 3.35Å; L285-N288 PolarHBondContact O-N 2.83Å; L285-F289 VanDerWaalsContact O-CB 3.31Å; L285-F289 WeakPolarHBondContact O-CB 3.16Å; L285-F289 PolarHBondContact O-N 2.85Å
286K97.8Very high97.6Very high68 Ų6843 Ų4330%0.29621%0.208SC..Hα-helixtrans-59.1-50.8177.3-76.7179.3168.7-175.50112.6M78 N92 F282 R283 W284 G290M78-K286 HydrophobicContact CE-CB 4.47Å; M78-K286 HydrophobicContact CE-CG 4.09Å; M78-K286 HydrophobicContact SD-CG 4.32Å; N92-K286 VanDerWaalsContact CG-CE 3.5Å; N92-K286 WeakPolarHBondContact OD1-CE 3.34Å; N92-K286 PolarHBondContact OD1-NZ 2.82Å; F282-K286 HydrophobicContact CD1-CD 4.42Å; F282-K286 HydrophobicContact CE1-CD 4.22Å; F282-K286 WeakPolarHBondContact O-CG 3.18Å; F282-K286 PolarHBondContact O-N 2.84Å; R283-K286 PolarHBondContact O-N 3.21Å; W284-K286 PolarHBondContact O-N 3.14Å; K286-G290 PolarHBondContact O-N 2.82Å
287V98.1Very high97.7Very high79 Ų7936.2 Ų36.248%0.47918%0.182SC..Hα-helixtrans-62.2-47.5-179.6173.20000110R283 W284 F289 G290 E291R283-V287 WeakPolarHBondContact O-CG2 3.45Å; R283-V287 PolarHBondContact O-N 2.99Å; R283-V287 VanDerWaalsContact O-N 3.17Å; W284-V287 PolarHBondContact O-N 3.25Å; V287-F289 PolarHBondContact O-N 2.79Å; V287-G290 PolarHBondContact O-N 2.81Å; V287-E291 HydrophobicContact CG1-CG 4.35Å; V287-E291 WeakPolarHBondContact O-CG 3.18Å; V287-E291 PolarHBondContact O-N 3.5Å
288N98.3Very high97.8Very high23 Ų2333.2 Ų33.212%0.12317%0.169CC..Hα-helixtrans-75.8-23.2-174.7-72.2-89000113.4V134 W284 L285 A292V134-N288 HydrophobicContact CG1-CB 4.1Å; V134-N288 HydrophobicContact CG2-CB 4.46Å; W284-N288 HydrophobicContact CD2-CB 4.49Å; W284-N288 HydrophobicContact CE3-CB 4.47Å; W284-N288 HydrophobicContact CH2-CB 4.07Å; W284-N288 HydrophobicContact CZ2-CB 4.09Å; W284-N288 HydrophobicContact CZ3-CB 4.28Å; W284-N288 PolarHBondContact NE1-ND2 3.48Å; W284-N288 VanDerWaalsContact NE1-ND2 3.15Å; W284-N288 WeakPolarHBondContact O-CB 3.47Å; W284-N288 PolarHBondContact O-N 3.41Å; W284-N288 PolarHBondContact O-ND2 2.82Å; L285-N288 PolarHBondContact O-N 2.83Å; N288-A292 WeakPolarHBondContact O-CB 3.47Å; N288-A292 PolarHBondContact O-N 3.05Å
289F98.3Very high97.9Very high0 Ų030 Ų300%015%0.154CC..Hα-helixtrans-61.6-49.9165.9172-98.4000110.4T71 V74 A75 M78 L93 V95 P100 L285 V287 E291 A292 F293 M380T71-F289 HydrophobicContact CG2-CD2 4.06Å; T71-F289 HydrophobicContact CG2-CE2 3.74Å; V74-F289 HydrophobicContact CG1-CB 3.83Å; A75-F289 HydrophobicContact CB-CD2 4.02Å; A75-F289 HydrophobicContact CB-CE2 3.97Å; M78-F289 HydrophobicContact CE-CB 4.02Å; L93-F289 VanDerWaalsContact C-CE1 3.42Å; L93-F289 HydrophobicContact CB-CD1 4.16Å; L93-F289 HydrophobicContact CB-CE1 3.61Å; L93-F289 HydrophobicContact CB-CE2 4.47Å; L93-F289 HydrophobicContact CB-CZ 3.78Å; L93-F289 HydrophobicContact CD1-CZ 4.4Å; L93-F289 HydrophobicContact CD2-CD1 4.05Å; L93-F289 HydrophobicContact CD2-CD2 3.76Å; L93-F289 HydrophobicContact CD2-CE1 4.11Å; L93-F289 HydrophobicContact CD2-CE2 3.81Å; L93-F289 HydrophobicContact CD2-CG 3.87Å; L93-F289 HydrophobicContact CD2-CZ 3.99Å; L93-F289 HydrophobicContact CG-CE1 4.39Å; L93-F289 HydrophobicContact CG-CE2 4.48Å; L93-F289 HydrophobicContact CG-CZ 4.26Å; V95-F289 HydrophobicContact CG2-CE1 4.09Å; P100-F289 HydrophobicContact CG-CE1 4.2Å; P100-F289 HydrophobicContact CG-CZ 4.11Å; L285-F289 VanDerWaalsContact O-CB 3.31Å; L285-F289 WeakPolarHBondContact O-CB 3.16Å; L285-F289 PolarHBondContact O-N 2.85Å; V287-F289 PolarHBondContact O-N 2.79Å; F289-E291 VanDerWaalsContact C-N 3.35Å; F289-E291 PolarHBondContact O-N 3.46Å; F289-A292 PolarHBondContact O-N 3.12Å; F289-F293 HydrophobicContact CZ-CB 4.49Å; F289-F293 HydrophobicContact CZ-CD2 4.4Å; F289-F293 WeakPolarHBondContact O-CB 3.09Å; F289-F293 PolarHBondContact O-N 2.96Å; F289-M380 HydrophobicContact CE2-CB 4.37Å; F289-M380 HydrophobicContact CE2-CG 4Å; F289-M380 HydrophobicContact CE2-SD 4.44Å; F289-M380 HydrophobicContact CZ-CG 4.19Å
290G97.7Very high98Very high5 Ų527.2 Ų27.25%0.05213%0.131CC..Hα-helixtrans-59.5-44.8177.500000112.5T94 K286 V287 S294T94-G290 WeakPolarHBondContact O-CA 3.48Å; K286-G290 PolarHBondContact O-N 2.82Å; V287-G290 PolarHBondContact O-N 2.81Å; G290-S294 WeakPolarHBondContact O-CB 3.32Å; G290-S294 PolarHBondContact O-N 3.38Å
291E97.9Very high98.1Very high42 Ų4223.3 Ų23.320%0.19611%0.106CC..Hα-helixtrans-62.8-46.4176.6-69.5-61.9148.100112.5K113 Q130 V287 F289 S294 A295K113-E291 IonicContact NZ-OE1 3.8Å; K113-E291 PolarHBondContact NZ-OE1 3.14Å; K113-E291 IonicContact NZ-OE2 2.74Å; K113-E291 PolarHBondContact NZ-OE2 2.95Å; Q130-E291 PolarHBondContact NE2-OE2 2.92Å; V287-E291 HydrophobicContact CG1-CG 4.35Å; V287-E291 WeakPolarHBondContact O-CG 3.18Å; V287-E291 PolarHBondContact O-N 3.5Å; F289-E291 VanDerWaalsContact C-N 3.35Å; F289-E291 PolarHBondContact O-N 3.46Å; E291-S294 PolarHBondContact O-N 3.38Å; E291-A295 WeakPolarHBondContact O-CB 3.29Å; E291-A295 PolarHBondContact O-N 3.3Å
292A98.3Very high98.1Very high0 Ų022.8 Ų22.80%010%0.103CC..Hα-helixtrans-66.1-43.117900000112.2I70 T71 L131 N288 F289 A295 M296I70-A292 HydrophobicContact CG2-CB 4.33Å; T71-A292 PolarHBondContact OG1-O 3.18Å; L131-A292 HydrophobicContact CD2-CB 4.24Å; N288-A292 WeakPolarHBondContact O-CB 3.47Å; N288-A292 PolarHBondContact O-N 3.05Å; F289-A292 PolarHBondContact O-N 3.12Å; A292-A295 PolarHBondContact O-N 2.94Å; A292-M296 WeakPolarHBondContact O-CB 3.27Å; A292-M296 PolarHBondContact O-N 3.01Å
293F97.9Very high98.1Very high0 Ų023.3 Ų23.30%010%0.104CC..Hα-helixtrans-64.8-43.1176.2-174.3-83.2000111.3T71 V95 P100 F103 F289 M296 V297 L378 M380T71-F293 HydrophobicContact CG2-CB 3.94Å; T71-F293 HydrophobicContact CG2-CD2 4.12Å; V95-F293 HydrophobicContact CB-CD1 4.38Å; V95-F293 HydrophobicContact CG1-CD1 4.19Å; V95-F293 HydrophobicContact CG2-CB 3.9Å; V95-F293 HydrophobicContact CG2-CD1 3.53Å; V95-F293 HydrophobicContact CG2-CE1 4.26Å; V95-F293 HydrophobicContact CG2-CG 3.82Å; P100-F293 HydrophobicContact CB-CD2 4.3Å; P100-F293 HydrophobicContact CB-CE1 4.1Å; P100-F293 HydrophobicContact CB-CE2 3.72Å; P100-F293 HydrophobicContact CB-CZ 3.6Å; F103-F293 HydrophobicContact CD1-CD1 4.02Å; F103-F293 AromaticContact CD1-CE1 3.73Å; F103-F293 HydrophobicContact CD1-CE1 3.73Å; F103-F293 HydrophobicContact CE1-CD1 4.34Å; F103-F293 HydrophobicContact CE1-CE1 4.33Å; F289-F293 HydrophobicContact CZ-CB 4.49Å; F289-F293 HydrophobicContact CZ-CD2 4.4Å; F289-F293 WeakPolarHBondContact O-CB 3.09Å; F289-F293 PolarHBondContact O-N 2.96Å; F293-M296 HydrophobicContact CD2-CE 3.59Å; F293-M296 HydrophobicContact CE2-CE 3.44Å; F293-M296 VanDerWaalsContact CE2-CE 3.44Å; F293-M296 HydrophobicContact CG-CE 4.25Å; F293-M296 HydrophobicContact CZ-CE 4.02Å; F293-M296 WeakPolarHBondContact O-CB 3.48Å; F293-M296 PolarHBondContact O-N 3.08Å; F293-V297 HydrophobicContact CD1-CG2 4.03Å; F293-V297 HydrophobicContact CE1-CG2 3.61Å; F293-V297 HydrophobicContact CZ-CG2 4.11Å; F293-V297 WeakPolarHBondContact O-CG2 3.26Å; F293-V297 PolarHBondContact O-N 3.11Å; F293-L378 HydrophobicContact CE2-CD2 3.78Å; F293-L378 HydrophobicContact CZ-CD2 3.64Å; F293-M380 HydrophobicContact CD2-CE 3.59Å; F293-M380 HydrophobicContact CE2-CE 3.46Å; F293-M380 VanDerWaalsContact CE2-CE 3.46Å
294S97.8Very high98.1Very high3 Ų314.2 Ų14.22%0.0217%0.07CC..Hα-helixtrans-59.5-48.2175-178.30000111G290 E291 M296 V297 H298G290-S294 WeakPolarHBondContact O-CB 3.32Å; G290-S294 PolarHBondContact O-N 3.38Å; E291-S294 PolarHBondContact O-N 3.38Å; S294-M296 VanDerWaalsContact C-N 3.33Å; S294-M296 PolarHBondContact O-N 3.45Å; S294-V297 PolarHBondContact O-N 2.86Å; S294-H298 PolarHBondContact O-N 2.8Å; S294-H298 PolarHBondContact O-ND1 3.37Å; S294-H298 PolarHBondContact OG-CE1 3.03Å; S294-H298 PolarHBondContact OG-ND1 2.99Å
295A98.3Very high98.1Very high0 Ų012.3 Ų12.30%06%0.063CC..Hα-helixtrans-56.6-44.6175.400000112.3I127 L131 E291 A292 V297 H298 I299I127-A295 HydrophobicContact CG2-CB 3.87Å; L131-A295 HydrophobicContact CD2-CB 4.04Å; L131-A295 HydrophobicContact CG-CB 4.2Å; E291-A295 WeakPolarHBondContact O-CB 3.29Å; E291-A295 PolarHBondContact O-N 3.3Å; A292-A295 PolarHBondContact O-N 2.94Å; A295-V297 PolarHBondContact O-N 2.89Å; A295-H298 PolarHBondContact O-N 3.38Å; A295-I299 WeakPolarHBondContact O-CG1 3.32Å; A295-I299 PolarHBondContact O-N 3.21Å
296M97.7Very high98Very high1 Ų112.3 Ų12.31%0.0056%0.063CC..Hα-helixtrans-56.8-46175.2-176.6-167.373.600111.9A67 E68 A292 F293 S294 H298 I299 K300 V376 M380A67-M296 HydrophobicContact CB-CB 4Å; A67-M296 HydrophobicContact CB-CG 4.17Å; E68-M296 HydrophobicContact CB-SD 4.4Å; E68-M296 HydrophobicContact CG-CG 4.08Å; E68-M296 HydrophobicContact CG-SD 3.56Å; E68-M296 VanDerWaalsContact CG-SD 3.56Å; A292-M296 WeakPolarHBondContact O-CB 3.27Å; A292-M296 PolarHBondContact O-N 3.01Å; F293-M296 HydrophobicContact CD2-CE 3.59Å; F293-M296 HydrophobicContact CE2-CE 3.44Å; F293-M296 VanDerWaalsContact CE2-CE 3.44Å; F293-M296 HydrophobicContact CG-CE 4.25Å; F293-M296 HydrophobicContact CZ-CE 4.02Å; F293-M296 WeakPolarHBondContact O-CB 3.48Å; F293-M296 PolarHBondContact O-N 3.08Å; S294-M296 VanDerWaalsContact C-N 3.33Å; S294-M296 PolarHBondContact O-N 3.45Å; M296-H298 PolarHBondContact O-N 3.06Å; M296-I299 PolarHBondContact O-N 2.93Å; M296-K300 WeakPolarHBondContact O-CG 3.26Å; M296-K300 PolarHBondContact O-N 3.36Å; M296-V376 HydrophobicContact CE-CG1 4.3Å; M296-M380 HydrophobicContact CE-CE 4.09Å
297V98Very high98Very high0 Ų010.9 Ų10.90%06%0.057CC..Hα-helixtrans-66.8-36.5177.6-178.60000111.9F39 F103 L104 F107 F293 S294 A295 K300 A301F39-V297 HydrophobicContact CE2-CG1 3.94Å; F39-V297 HydrophobicContact CZ-CG1 3.89Å; F103-V297 HydrophobicContact CD1-CG2 4.39Å; F103-V297 HydrophobicContact CE1-CB 4.13Å; F103-V297 HydrophobicContact CE1-CG1 4.39Å; F103-V297 HydrophobicContact CE1-CG2 4.07Å; L104-V297 HydrophobicContact CD1-CG1 3.71Å; L104-V297 HydrophobicContact CD1-CG2 3.97Å; F107-V297 HydrophobicContact CB-CG1 4.46Å; F107-V297 HydrophobicContact CD1-CG1 4.5Å; F107-V297 HydrophobicContact CD2-CB 4.27Å; F107-V297 HydrophobicContact CD2-CG1 3.36Å; F107-V297 HydrophobicContact CE2-CB 4.25Å; F107-V297 HydrophobicContact CE2-CG1 3.59Å; F107-V297 HydrophobicContact CG-CG1 3.85Å; F107-V297 HydrophobicContact CZ-CG1 4.26Å; F293-V297 HydrophobicContact CD1-CG2 4.03Å; F293-V297 HydrophobicContact CE1-CG2 3.61Å; F293-V297 HydrophobicContact CZ-CG2 4.11Å; F293-V297 WeakPolarHBondContact O-CG2 3.26Å; F293-V297 PolarHBondContact O-N 3.11Å; S294-V297 PolarHBondContact O-N 2.86Å; A295-V297 PolarHBondContact O-N 2.89Å; V297-K300 PolarHBondContact O-N 3.12Å; V297-A301 PolarHBondContact O-N 3.29Å
298H98.3Very high97.9Very high1 Ų17.1 Ų7.11%0.0053%0.034CC..Hα-helixtrans-65.2-38.6174.3-74.381.6000112.3F107 W109 D110 Y114 I127 S294 A295 M296 K300 A301 L302F107-H298 AromaticContact CE2-CE1 3.63Å; F107-H298 AromaticContact CE2-ND1 3.77Å; F107-H298 AromaticContact CE2-NE2 3.87Å; W109-H298 AromaticContact CD2-CD2 3.77Å; W109-H298 AromaticContact CE3-CD2 3.46Å; W109-H298 VanDerWaalsContact CE3-CD2 3.46Å; W109-H298 HydrophobicContact CH2-CB 4.31Å; W109-H298 AromaticContact CH2-CD2 3.93Å; W109-H298 HydrophobicContact CZ3-CB 4.02Å; W109-H298 AromaticContact CZ3-CD2 3.54Å; D110-H298 PolarHBondContact N-NE2 3.19Å; Y114-H298 HydrophobicContact CD2-CB 4.38Å; Y114-H298 AromaticContact CD2-CD2 3.23Å; Y114-H298 WeakPolarHBondContact CD2-CD2 3.34Å; Y114-H298 AromaticContact CD2-CG 3.76Å; Y114-H298 AromaticContact CD2-NE2 3.56Å; Y114-H298 HydrophobicContact CE2-CB 4.05Å; Y114-H298 AromaticContact CE2-CD2 3.44Å; Y114-H298 VanDerWaalsContact CE2-CD2 3.44Å; Y114-H298 WeakPolarHBondContact CE2-CD2 3.15Å; Y114-H298 AromaticContact CE2-CE1 3.81Å; Y114-H298 AromaticContact CE2-CG 3.48Å; Y114-H298 VanDerWaalsContact CE2-CG 3.48Å; Y114-H298 AromaticContact CE2-ND1 3.72Å; Y114-H298 AromaticContact CE2-NE2 3.67Å; I127-H298 HydrophobicContact CD1-CB 4.17Å; S294-H298 PolarHBondContact O-N 2.8Å; S294-H298 PolarHBondContact O-ND1 3.37Å; S294-H298 PolarHBondContact OG-CE1 3.03Å; S294-H298 PolarHBondContact OG-ND1 2.99Å; A295-H298 PolarHBondContact O-N 3.38Å; M296-H298 PolarHBondContact O-N 3.06Å; H298-K300 VanDerWaalsContact C-N 3.34Å; H298-A301 WeakPolarHBondContact O-CB 3.48Å; H298-A301 PolarHBondContact O-N 2.99Å; H298-L302 WeakPolarHBondContact O-CG 3.46Å; H298-L302 PolarHBondContact O-N 3.07Å
299I98.4Very high97.7Very high0 Ų06.4 Ų6.40%03%0.031CC..Hα-helixtrans-61.1-45.2172.6-68.2155.6000110.1L60 L63 D64 A67 I127 L131 A295 M296 A301 L302 R303L60-I299 HydrophobicContact CD2-CG2 4.32Å; L63-I299 HydrophobicContact CD1-CD1 4.37Å; L63-I299 HydrophobicContact CD2-CD1 3.95Å; L63-I299 HydrophobicContact CD2-CG1 3.95Å; L63-I299 HydrophobicContact CG-CD1 3.67Å; L63-I299 HydrophobicContact CG-CG1 4.13Å; D64-I299 HydrophobicContact CB-CG2 3.79Å; A67-I299 HydrophobicContact CB-CD1 3.51Å; I127-I299 HydrophobicContact CD1-CG1 4.37Å; I127-I299 HydrophobicContact CG2-CD1 3.62Å; I127-I299 HydrophobicContact CG2-CG1 3.68Å; L131-I299 HydrophobicContact CD1-CD1 3.61Å; A295-I299 WeakPolarHBondContact O-CG1 3.32Å; A295-I299 PolarHBondContact O-N 3.21Å; M296-I299 PolarHBondContact O-N 2.93Å; I299-A301 VanDerWaalsContact C-N 3.27Å; I299-A301 PolarHBondContact O-N 2.74Å; I299-L302 PolarHBondContact O-N 2.85Å; I299-L302 VanDerWaalsContact O-N 3.12Å; I299-R303 HydrophobicContact CG2-CG 4.37Å; I299-R303 WeakPolarHBondContact O-CG 3.23Å; I299-R303 PolarHBondContact O-N 2.97Å
300K98Very high97.6Very high1 Ų19 Ų90%0.0044%0.044CC..Hα-helixtrans-61.1-37.1176.1-65.9-170-168.7-60.30112.1I6 D64 E68 M296 V297 H298 R303 V304 K375 V376I6-K300 HydrophobicContact CD1-CB 3.98Å; I6-K300 HydrophobicContact CD1-CD 4.38Å; D64-K300 WeakPolarHBondContact OD1-CG 3.36Å; D64-K300 IonicContact OD1-NZ 3.99Å; D64-K300 PolarHBondContact OD1-NZ 3.33Å; D64-K300 IonicContact OD2-NZ 2.66Å; D64-K300 PolarHBondContact OD2-NZ 2.66Å; E68-K300 IonicContact OE1-NZ 2.79Å; E68-K300 PolarHBondContact OE1-NZ 2.9Å; M296-K300 WeakPolarHBondContact O-CG 3.26Å; M296-K300 PolarHBondContact O-N 3.36Å; V297-K300 PolarHBondContact O-N 3.12Å; H298-K300 VanDerWaalsContact C-N 3.34Å; K300-R303 PolarHBondContact O-N 3.29Å; K300-V304 WeakPolarHBondContact O-CG2 3.27Å; K300-V304 PolarHBondContact O-N 2.88Å; K300-K375 PolarHBondContact NZ-O 3.23Å; K300-V376 HydrophobicContact CD-CB 4.36Å; K300-V376 HydrophobicContact CD-CG1 4.24Å; K300-V376 HydrophobicContact CD-CG2 3.58Å
301A98.3Very high97.4Very high0 Ų012.7 Ų12.70%06%0.057CC..Hα-helixtrans-63.2-43.4172.500000112.7F39 I41 F107 W109 V297 H298 I299 V304 F305F39-A301 HydrophobicContact CE1-CB 3.69Å; F39-A301 HydrophobicContact CZ-CB 4.04Å; I41-A301 HydrophobicContact CD1-CB 4.44Å; I41-A301 HydrophobicContact CG1-CB 4.15Å; F107-A301 HydrophobicContact CE1-CB 4.05Å; F107-A301 HydrophobicContact CZ-CB 4.12Å; W109-A301 HydrophobicContact CE3-CB 4.22Å; W109-A301 HydrophobicContact CZ3-CB 3.94Å; V297-A301 PolarHBondContact O-N 3.29Å; H298-A301 WeakPolarHBondContact O-CB 3.48Å; H298-A301 PolarHBondContact O-N 2.99Å; I299-A301 VanDerWaalsContact C-N 3.27Å; I299-A301 PolarHBondContact O-N 2.74Å; A301-V304 PolarHBondContact O-N 3.46Å; A301-F305 WeakPolarHBondContact O-CB 3.48Å; A301-F305 PolarHBondContact O-N 3Å
302L98.2Very high97.2Very high2 Ų213.2 Ų13.21%0.016%0.057CC..Hα-helixtrans-63-41.4174.1-68.5174.7000111.9F45 L60 W109 L120 L123 I127 H298 I299 F305 V306F45-L302 HydrophobicContact CE1-CD2 4.28Å; F45-L302 HydrophobicContact CE2-CD2 4.21Å; F45-L302 HydrophobicContact CZ-CD2 3.94Å; L60-L302 HydrophobicContact CD1-CB 4.02Å; L60-L302 HydrophobicContact CD2-CB 3.91Å; L60-L302 HydrophobicContact CD2-CD1 4.11Å; W109-L302 HydrophobicContact CH2-CD1 4.3Å; W109-L302 HydrophobicContact CH2-CD2 3.73Å; W109-L302 HydrophobicContact CH2-CG 3.82Å; W109-L302 HydrophobicContact CZ3-CD2 4.33Å; W109-L302 HydrophobicContact CZ3-CG 4.25Å; L120-L302 HydrophobicContact CD2-CD2 3.76Å; L123-L302 HydrophobicContact CB-CD1 4.24Å; L123-L302 HydrophobicContact CD1-CD2 4.17Å; I127-L302 HydrophobicContact CD1-CD1 3.74Å; H298-L302 WeakPolarHBondContact O-CG 3.46Å; H298-L302 PolarHBondContact O-N 3.07Å; I299-L302 PolarHBondContact O-N 2.85Å; I299-L302 VanDerWaalsContact O-N 3.12Å; L302-F305 PolarHBondContact O-N 3.39Å; L302-V306 WeakPolarHBondContact O-CG2 3.43Å; L302-V306 PolarHBondContact O-N 2.78Å
303R97.9Very high96.9Very high34 Ų3414.8 Ų14.813%0.1287%0.073CC..Hα-helixtrans-59.6-49.9175.3-73-173.171.1178.312.4111.7L60 S61 D64 I299 K300 F305 V306 E307 F374L60-R303 HydrophobicContact CB-CG 3.64Å; L60-R303 HydrophobicContact CD1-CG 4.48Å; S61-R303 PolarHBondContact OG-NH2 3.25Å; D64-R303 IonicContact OD2-CZ 3.28Å; D64-R303 IonicContact OD2-NH1 3.25Å; D64-R303 PolarHBondContact OD2-NH1 3.41Å; I299-R303 HydrophobicContact CG2-CG 4.37Å; I299-R303 WeakPolarHBondContact O-CG 3.23Å; I299-R303 PolarHBondContact O-N 2.97Å; K300-R303 PolarHBondContact O-N 3.29Å; R303-F305 VanDerWaalsContact C-N 3.29Å; R303-F305 PolarHBondContact O-N 2.84Å; R303-V306 PolarHBondContact O-N 3.29Å; R303-E307 VanDerWaalsContact O-CB 3.26Å; R303-E307 WeakPolarHBondContact O-CB 3.35Å; R303-E307 WeakPolarHBondContact O-CG 3.17Å; R303-E307 PolarHBondContact O-N 3.37Å; R303-F374 HydrophobicContact CB-CD2 4.49Å; R303-F374 HydrophobicContact CB-CE2 4.01Å; R303-F374 HydrophobicContact CB-CZ 4.18Å; R303-F374 VanDerWaalsContact CZ-CE1 3.48Å
304V98Very high96.6Very high0 Ų020.3 Ų20.30%010%0.102CC..Hα-helixtrans-58.4-44.7176.9174.70000110.2I6 I41 K300 A301 S308 A320 F374I6-V304 HydrophobicContact CB-CG2 4.26Å; I6-V304 HydrophobicContact CG2-CG2 3.6Å; I41-V304 HydrophobicContact CD1-CB 3.57Å; I41-V304 HydrophobicContact CD1-CG1 3.4Å; I41-V304 HydrophobicContact CD1-CG2 4.48Å; K300-V304 WeakPolarHBondContact O-CG2 3.27Å; K300-V304 PolarHBondContact O-N 2.88Å; A301-V304 PolarHBondContact O-N 3.46Å; V304-S308 WeakPolarHBondContact O-CB 3.3Å; V304-S308 PolarHBondContact O-N 3.46Å; V304-S308 PolarHBondContact O-OG 2.98Å; V304-A320 HydrophobicContact CG1-CB 3.95Å; V304-F374 HydrophobicContact CG2-CD2 3.57Å; V304-F374 HydrophobicContact CG2-CE2 4.09Å
305F97.8Very high96.3Very high0 Ų025.8 Ų25.80%014%0.137CC..Hα-helixtrans-59.1-54.8177.7-177.3-89.4000112.2I41 F45 V47 L120 A301 L302 R303 E307 S308 V309 V316 F318I41-F305 HydrophobicContact CG2-CB 4.06Å; I41-F305 HydrophobicContact CG2-CD2 4.03Å; I41-F305 HydrophobicContact CG2-CG 4.5Å; F45-F305 HydrophobicContact CB-CD1 4.42Å; F45-F305 HydrophobicContact CB-CD2 4.42Å; F45-F305 HydrophobicContact CB-CE1 3.87Å; F45-F305 HydrophobicContact CB-CE2 3.87Å; F45-F305 HydrophobicContact CB-CZ 3.57Å; F45-F305 HydrophobicContact CD2-CB 4.43Å; F45-F305 HydrophobicContact CD2-CD1 4.24Å; F45-F305 AromaticContact CD2-CD2 3.61Å; F45-F305 HydrophobicContact CD2-CD2 3.61Å; F45-F305 HydrophobicContact CD2-CE1 4.46Å; F45-F305 AromaticContact CD2-CE2 3.85Å; F45-F305 HydrophobicContact CD2-CE2 3.85Å; F45-F305 AromaticContact CD2-CG 3.82Å; F45-F305 HydrophobicContact CD2-CG 3.82Å; F45-F305 HydrophobicContact CD2-CZ 4.28Å; F45-F305 HydrophobicContact CE2-CD2 4.41Å; F45-F305 HydrophobicContact CE2-CG 4.5Å; F45-F305 HydrophobicContact CG-CE2 4.38Å; F45-F305 HydrophobicContact CG-CZ 4.44Å; V47-F305 HydrophobicContact CG2-CE1 4.23Å; V47-F305 HydrophobicContact CG2-CZ 3.95Å; L120-F305 HydrophobicContact CD1-CD1 4.1Å; L120-F305 HydrophobicContact CD1-CE1 3.98Å; L120-F305 HydrophobicContact CD2-CD1 4.23Å; L120-F305 HydrophobicContact CD2-CE1 4.42Å; A301-F305 WeakPolarHBondContact O-CB 3.48Å; A301-F305 PolarHBondContact O-N 3Å; L302-F305 PolarHBondContact O-N 3.39Å; R303-F305 VanDerWaalsContact C-N 3.29Å; R303-F305 PolarHBondContact O-N 2.84Å; F305-E307 VanDerWaalsContact C-N 3.34Å; F305-E307 PolarHBondContact O-N 3.2Å; F305-S308 PolarHBondContact O-N 3Å; F305-V309 HydrophobicContact CD1-CG2 4.3Å; F305-V309 HydrophobicContact CE1-CG2 3.89Å; F305-V309 HydrophobicContact CZ-CG2 4.01Å; F305-V309 WeakPolarHBondContact O-CG2 3.22Å; F305-V309 PolarHBondContact O-N 3.24Å; F305-V316 HydrophobicContact CE2-CG1 3.99Å; F305-V316 HydrophobicContact CE2-CG2 4.45Å; F305-V316 HydrophobicContact CZ-CG2 4.18Å; F305-F318 HydrophobicContact CB-CZ 4.41Å; F305-F318 AromaticContact CD2-CE1 3.86Å; F305-F318 HydrophobicContact CD2-CE1 3.86Å; F305-F318 AromaticContact CD2-CZ 3.73Å; F305-F318 HydrophobicContact CD2-CZ 3.73Å; F305-F318 HydrophobicContact CE2-CE1 4.24Å; F305-F318 HydrophobicContact CE2-CZ 4.46Å; F305-F318 HydrophobicContact CG-CZ 4.43Å
306V97.5Very high96Very high0 Ų027.9 Ų27.90%015%0.15CC..Hα-helixtrans-59.3-46.3-177.5169.50000110.8L53 L60 L120 L302 R303 V309 L310L53-V306 HydrophobicContact CB-CG1 4.37Å; L53-V306 HydrophobicContact CD2-CG1 4.28Å; L53-V306 HydrophobicContact CD2-CG2 4.14Å; L53-V306 WeakPolarHBondContact O-CG1 3.46Å; L60-V306 HydrophobicContact CD1-CB 4.37Å; L60-V306 HydrophobicContact CD1-CG2 3.8Å; L120-V306 HydrophobicContact CD1-CG2 4.04Å; L302-V306 WeakPolarHBondContact O-CG2 3.43Å; L302-V306 PolarHBondContact O-N 2.78Å; R303-V306 PolarHBondContact O-N 3.29Å; V306-V309 PolarHBondContact O-N 2.93Å; V306-L310 HydrophobicContact CG1-CD1 3.87Å; V306-L310 HydrophobicContact CG1-CG 4.41Å; V306-L310 WeakPolarHBondContact O-CB 3.28Å; V306-L310 VanDerWaalsContact O-CG 3.31Å; V306-L310 WeakPolarHBondContact O-CG 3.18Å; V306-L310 PolarHBondContact O-N 2.81Å
307E96.4Very high95.9Very high37 Ų3730.4 Ų30.417%0.17316%0.164CC..Hα-helixtrans-68.5-37.6-179.1-70-78.3157.600112.8S57 R303 F305 V309 L310 R311 V372 F374S57-E307 PolarHBondContact OG-OE1 3.26Å; R303-E307 VanDerWaalsContact O-CB 3.26Å; R303-E307 WeakPolarHBondContact O-CB 3.35Å; R303-E307 WeakPolarHBondContact O-CG 3.17Å; R303-E307 PolarHBondContact O-N 3.37Å; F305-E307 VanDerWaalsContact C-N 3.34Å; F305-E307 PolarHBondContact O-N 3.2Å; E307-V309 VanDerWaalsContact C-N 3.34Å; E307-L310 PolarHBondContact O-N 3.18Å; E307-R311 VanDerWaalsContact O-CB 3.32Å; E307-R311 WeakPolarHBondContact O-CB 3.48Å; E307-R311 VanDerWaalsContact O-CG 3.31Å; E307-R311 WeakPolarHBondContact O-CG 3.1Å; E307-R311 PolarHBondContact O-N 3.44Å; E307-V372 HydrophobicContact CB-CG1 3.87Å; E307-V372 HydrophobicContact CB-CG2 3.94Å; E307-F374 HydrophobicContact CB-CE2 4.41Å; E307-F374 HydrophobicContact CB-CZ 4.49Å; E307-F374 HydrophobicContact CG-CE2 4.19Å; E307-F374 HydrophobicContact CG-CZ 3.86Å
308S96Very high95.8Very high0 Ų031.6 Ų31.60%017%0.169CC..Hα-helixtrans-65.9-38.3174.5-690000111.5S8 V304 F305 Y312S8-S308 WeakPolarHBondContact CB-OG 3.37Å; S8-S308 PolarHBondContact OG-OG 3.04Å; V304-S308 WeakPolarHBondContact O-CB 3.3Å; V304-S308 PolarHBondContact O-N 3.46Å; V304-S308 PolarHBondContact O-OG 2.98Å; F305-S308 PolarHBondContact O-N 3Å; S308-Y312 WeakPolarHBondContact O-CA 3.44Å; S308-Y312 WeakPolarHBondContact O-CB 3.4Å; S308-Y312 WeakPolarHBondContact O-CD2 3.5Å; S308-Y312 PolarHBondContact O-N 3.36Å
309V95.8Very high95.8Very high8 Ų832.5 Ų32.55%0.04817%0.173CC..Hα-helixtrans-68-43.8174.51770000111.2V47 L53 F305 V306 E307 R311 G313 L314 V316V47-V309 HydrophobicContact CG1-CG1 3.87Å; L53-V309 HydrophobicContact CD1-CB 4.27Å; L53-V309 HydrophobicContact CD1-CG1 3.59Å; F305-V309 HydrophobicContact CD1-CG2 4.3Å; F305-V309 HydrophobicContact CE1-CG2 3.89Å; F305-V309 HydrophobicContact CZ-CG2 4.01Å; F305-V309 WeakPolarHBondContact O-CG2 3.22Å; F305-V309 PolarHBondContact O-N 3.24Å; V306-V309 PolarHBondContact O-N 2.93Å; E307-V309 VanDerWaalsContact C-N 3.34Å; V309-R311 VanDerWaalsContact C-N 3.27Å; V309-R311 PolarHBondContact O-N 3.18Å; V309-G313 VanDerWaalsContact O-CA 3.28Å; V309-G313 WeakPolarHBondContact O-CA 3.49Å; V309-G313 PolarHBondContact O-N 2.77Å; V309-L314 HydrophobicContact CG1-CD2 3.96Å; V309-L314 HydrophobicContact CG1-CG 4.39Å; V309-V316 HydrophobicContact CG2-CG1 4.48Å; V309-V316 HydrophobicContact CG2-CG2 3.98Å
310L95Very high95.8Very high55 Ų5532.6 Ų32.629%0.28817%0.174SC..Hα-helixtrans-63.3-32.9177.8-72174.1000112.6L50 L53 V54 V306 E307L50-L310 HydrophobicContact CD1-CD2 3.5Å; L53-L310 HydrophobicContact CB-CD1 4.46Å; L53-L310 HydrophobicContact CB-CD2 3.75Å; L53-L310 HydrophobicContact CB-CG 4.15Å; L53-L310 HydrophobicContact CD1-CD2 4.25Å; V54-L310 HydrophobicContact CG2-CD2 4.01Å; V306-L310 HydrophobicContact CG1-CD1 3.87Å; V306-L310 HydrophobicContact CG1-CG 4.41Å; V306-L310 WeakPolarHBondContact O-CB 3.28Å; V306-L310 VanDerWaalsContact O-CG 3.31Å; V306-L310 WeakPolarHBondContact O-CG 3.18Å; V306-L310 PolarHBondContact O-N 2.81Å; E307-L310 PolarHBondContact O-N 3.18Å
311R93.2Very high95.8Very high82 Ų8232.6 Ų32.631%0.30917%0.174SC..Hα-helixtrans-88.9-36.3180-71.8-166.9-177.8-138.11.4114.9E307 V309 F369 V372E307-R311 VanDerWaalsContact O-CB 3.32Å; E307-R311 WeakPolarHBondContact O-CB 3.48Å; E307-R311 VanDerWaalsContact O-CG 3.31Å; E307-R311 WeakPolarHBondContact O-CG 3.1Å; E307-R311 PolarHBondContact O-N 3.44Å; V309-R311 VanDerWaalsContact C-N 3.27Å; V309-R311 PolarHBondContact O-N 3.18Å; R311-F369 PolarHBondContact NH1-O 3.44Å; R311-V372 HydrophobicContact CG-CG2 4.45Å
312Y93.7Very high95.8Very high54 Ų5432.7 Ų32.721%0.21218%0.175CC..Hα-helixtrans-107.3-9.7-171.6-48.9-41.1000113.3S8 P10 S308 F318 Y371 V372S8-Y312 PolarHBondContact O-OH 2.86Å; P10-Y312 HydrophobicContact CG-CD1 3.71Å; P10-Y312 HydrophobicContact CG-CE1 3.81Å; P10-Y312 HydrophobicContact CG-CG 4.09Å; S308-Y312 WeakPolarHBondContact O-CA 3.44Å; S308-Y312 WeakPolarHBondContact O-CB 3.4Å; S308-Y312 WeakPolarHBondContact O-CD2 3.5Å; S308-Y312 PolarHBondContact O-N 3.36Å; Y312-F318 HydrophobicContact CD2-CB 3.85Å; Y312-F318 HydrophobicContact CE2-CB 4.22Å; Y312-Y371 WeakPolarHBondContact OH-CA 3.21Å; Y312-V372 HydrophobicContact CE2-CG2 4.3Å; Y312-V372 PolarHBondContact OH-N 2.81Å
313G92.4Very high95.7Very high32 Ų3232.6 Ų32.633%0.3317%0.174SC..  trans77.4-159.6176.100000113.8V309V309-G313 VanDerWaalsContact O-CA 3.28Å; V309-G313 WeakPolarHBondContact O-CA 3.49Å; V309-G313 PolarHBondContact O-N 2.77Å
314L91.5Very high95.6Very high117 Ų11732.6 Ų32.661%0.61318%0.176SC*.SBendtrans-119.2150.7-179.8-67.8176.6000110.9V47 V309 V316V47-L314 HydrophobicContact CG1-CD2 4.26Å; V47-L314 HydrophobicContact CG2-CD2 4.12Å; V309-L314 HydrophobicContact CG1-CD2 3.96Å; V309-L314 HydrophobicContact CG1-CG 4.39Å; L314-V316 HydrophobicContact CD2-CG2 3.77Å
315P91.9Very high95.5Very high117 Ų11733 Ų3376%0.7618%0.178SC*.SBendcis-66.5159-3.330.7-36.6000112.6D317P315-D317 PolarHBondContact O-N 2.9Å
316V92.8Very high95.3Very high44 Ų4436.1 Ų36.127%0.26720%0.195SC..  trans-61.2107.2-179.3-176.80000109.9V47 F305 V309 L314 F318V47-V316 HydrophobicContact CG2-CG2 3.83Å; F305-V316 HydrophobicContact CE2-CG1 3.99Å; F305-V316 HydrophobicContact CE2-CG2 4.45Å; F305-V316 HydrophobicContact CZ-CG2 4.18Å; V309-V316 HydrophobicContact CG2-CG1 4.48Å; V309-V316 HydrophobicContact CG2-CG2 3.98Å; L314-V316 HydrophobicContact CD2-CG2 3.77Å; V316-F318 HydrophobicContact CG1-CD1 3.65Å; V316-F318 HydrophobicContact CG1-CE1 3.46Å; V316-F318 VanDerWaalsContact CG1-CE1 3.46Å
317D94.8Very high95Very high54 Ų5442.5 Ų42.529%0.28922%0.223SC..  trans-138.884.8178.6-175.729.9000110.6G11 E12 R13 P315G11-D317 WeakPolarHBondContact CA-OD1 3.09Å; G11-D317 PolarHBondContact N-O 3.07Å; E12-D317 PolarHBondContact N-OD2 3.3Å; R13-D317 PolarHBondContact N-OD2 3.37Å; P315-D317 PolarHBondContact O-N 2.9Å
318F96.3Very high94.9Very high26 Ų2650.1 Ų50.111%0.11426%0.255CS..EExtended strand (participates in β ladder)trans-142.3159.817771.3-103000111.6S8 V9 I41 F305 Y312 V316 A320S8-F318 WeakPolarHBondContact OG-CD2 3.34Å; V9-F318 CarbonylContact O-C 2.97Å; V9-F318 VanDerWaalsContact O-CA 3.28Å; V9-F318 WeakPolarHBondContact O-CA 3.1Å; V9-F318 WeakPolarHBondContact O-CB 3.49Å; I41-F318 HydrophobicContact CD1-CE2 4.25Å; I41-F318 HydrophobicContact CG2-CZ 4.42Å; F305-F318 HydrophobicContact CB-CZ 4.41Å; F305-F318 AromaticContact CD2-CE1 3.86Å; F305-F318 HydrophobicContact CD2-CE1 3.86Å; F305-F318 AromaticContact CD2-CZ 3.73Å; F305-F318 HydrophobicContact CD2-CZ 3.73Å; F305-F318 HydrophobicContact CE2-CE1 4.24Å; F305-F318 HydrophobicContact CE2-CZ 4.46Å; F305-F318 HydrophobicContact CG-CZ 4.43Å; Y312-F318 HydrophobicContact CD2-CB 3.85Å; Y312-F318 HydrophobicContact CE2-CB 4.22Å; V316-F318 HydrophobicContact CG1-CD1 3.65Å; V316-F318 HydrophobicContact CG1-CE1 3.46Å; V316-F318 VanDerWaalsContact CG1-CE1 3.46Å; F318-A320 HydrophobicContact CE2-CB 4.23Å
319Q97.3Very high94.8Very high19 Ų1952.5 Ų52.59%0.08927%0.266CS..EExtended strand (participates in β ladder)trans-119119171.3-176.657.972.200110S8 V9 P15 I321S8-Q319 WeakPolarHBondContact CA-O 3.33Å; S8-Q319 PolarHBondContact OG-O 3.07Å; V9-Q319 PolarHBondContact N-O 2.71Å; V9-Q319 PolarHBondContact O-N 3.2Å; P15-Q319 HydrophobicContact CB-CB 4Å; P15-Q319 HydrophobicContact CB-CG 4.43Å; P15-Q319 VanDerWaalsContact CB-OE1 3.26Å; P15-Q319 WeakPolarHBondContact O-CG 3.4Å; P15-Q319 PolarHBondContact O-OE1 3.35Å; Q319-I321 HydrophobicContact CG-CD1 4.07Å; Q319-I321 HydrophobicContact CG-CG1 3.88Å
320A98.1Very high94.7Very high3 Ų354.2 Ų54.23%0.02527%0.274CS..EExtended strand (participates in β ladder)trans-89.9137171.100000111.2I7 F39 I41 V304 F318I7-A320 CarbonylContact O-C 3.51Å; I7-A320 VanDerWaalsContact O-CA 3.3Å; I7-A320 WeakPolarHBondContact O-CA 3.46Å; F39-A320 HydrophobicContact CB-CB 4.18Å; F39-A320 HydrophobicContact CD1-CB 4.29Å; F39-A320 PolarHBondContact N-O 3.36Å; F39-A320 WeakPolarHBondContact O-CB 3.41Å; I41-A320 HydrophobicContact CD1-CB 3.67Å; I41-A320 HydrophobicContact CG1-CB 4.2Å; V304-A320 HydrophobicContact CG1-CB 3.95Å; F318-A320 HydrophobicContact CE2-CB 4.23Å
321I98.2Very high94.7Very high0 Ų059.5 Ų59.50%030%0.295CS..EExtended strand (participates in β ladder)trans-138.5130.4-171.6-51.3177.4000109I6 I7 Y19 L22 V36 N37 Q319 L323I6-I321 WeakPolarHBondContact CA-O 3.14Å; I7-I321 HydrophobicContact CG1-CB 4.05Å; I7-I321 PolarHBondContact N-O 2.91Å; I7-I321 PolarHBondContact O-N 2.99Å; Y19-I321 HydrophobicContact CD2-CD1 4Å; Y19-I321 HydrophobicContact CD2-CG1 4.03Å; Y19-I321 HydrophobicContact CD2-CG2 4.15Å; Y19-I321 HydrophobicContact CE2-CG2 4.18Å; L22-I321 HydrophobicContact CB-CD1 4.3Å; L22-I321 HydrophobicContact CD2-CB 4.48Å; L22-I321 HydrophobicContact CD2-CD1 3.55Å; L22-I321 HydrophobicContact CD2-CG2 4.16Å; V36-I321 HydrophobicContact CG1-CG2 3.8Å; N37-I321 CarbonylContact O-C 3.35Å; N37-I321 WeakPolarHBondContact O-CA 3.38Å; N37-I321 WeakPolarHBondContact O-CG2 3.17Å; Q319-I321 HydrophobicContact CG-CD1 4.07Å; Q319-I321 HydrophobicContact CG-CG1 3.88Å; I321-L323 HydrophobicContact CG2-CD2 3.89Å
322L98.1Very high94.8Very high2 Ų260.2 Ų60.21%0.0130%0.3CS..EExtended strand (participates in β ladder)trans-91.9128.6172.7-172.678000109.7F4 W5 I6 V36 N37 F39 L104 T105F4-L322 HydrophobicContact CB-CD1 3.87Å; F4-L322 HydrophobicContact CD1-CD1 4.03Å; F4-L322 HydrophobicContact CD1-CD2 3.74Å; F4-L322 HydrophobicContact CD1-CG 3.77Å; F4-L322 HydrophobicContact CE1-CD2 4.03Å; F4-L322 HydrophobicContact CE1-CG 4.49Å; F4-L322 HydrophobicContact CG-CD1 4.3Å; W5-L322 CarbonylContact O-C 3.57Å; W5-L322 WeakPolarHBondContact O-CA 3.47Å; I6-L322 HydrophobicContact CG1-CD1 3.68Å; V36-L322 WeakPolarHBondContact CA-O 3.42Å; N37-L322 HydrophobicContact CB-CB 4.42Å; N37-L322 PolarHBondContact N-O 3.28Å; N37-L322 PolarHBondContact O-N 3.19Å; F39-L322 HydrophobicContact CB-CB 4.3Å; L104-L322 HydrophobicContact CD1-CD1 4.2Å; L104-L322 HydrophobicContact CD2-CD1 3.96Å; L104-L322 HydrophobicContact CD2-CD2 4.48Å; L104-L322 HydrophobicContact CG-CD1 3.84Å; L104-L322 HydrophobicContact CG-CD2 3.9Å; T105-L322 HydrophobicContact CG2-CD2 3.96Å
323L97.5Very high94.9Very high0 Ų057.7 Ų57.70%029%0.29CS..EExtended strand (participates in β ladder)trans-118.9138.5177.8-54.6179.5000109.8F4 W5 I7 L22 L26 Q35 V36 I321 P325 L337F4-L323 CarbonylContact C-O 3.33Å; F4-L323 VanDerWaalsContact CA-O 3.29Å; F4-L323 WeakPolarHBondContact CA-O 3.46Å; W5-L323 HydrophobicContact CB-CB 4.31Å; W5-L323 PolarHBondContact N-O 2.77Å; W5-L323 PolarHBondContact O-N 3.04Å; I7-L323 HydrophobicContact CD1-CD1 3.87Å; I7-L323 HydrophobicContact CG1-CD1 4.16Å; I7-L323 HydrophobicContact CG1-CG 4.48Å; I7-L323 HydrophobicContact CG2-CD1 4.29Å; L22-L323 HydrophobicContact CD2-CD2 4.3Å; L26-L323 HydrophobicContact CD1-CD1 4.43Å; L26-L323 HydrophobicContact CD1-CD2 3.77Å; Q35-L323 WeakPolarHBondContact O-CA 3.33Å; V36-L323 HydrophobicContact CB-CD2 4.21Å; V36-L323 HydrophobicContact CG1-CD2 3.81Å; V36-L323 HydrophobicContact CG2-CD2 3.89Å; I321-L323 HydrophobicContact CG2-CD2 3.89Å; L323-P325 VanDerWaalsContact C-CD 3.45Å; L323-P325 WeakPolarHBondContact O-CD 3.37Å; L323-L337 HydrophobicContact CD1-CD1 4.04Å; L323-L337 HydrophobicContact CD1-CD2 4.36Å
324E95.8Very high95.1Very high35 Ų3557.7 Ų57.716%0.16428%0.28CS..EExtended strand (participates in β ladder)trans-105.684.8169.7-169.3180177.900109.9T2 F4 S34 Q35T2-E324 HydrophobicContact CG2-CG 4.19Å; T2-E324 VanDerWaalsContact CG2-OE1 3.26Å; T2-E324 WeakPolarHBondContact CG2-OE1 3.31Å; F4-E324 HydrophobicContact CD1-CB 3.89Å; F4-E324 HydrophobicContact CD1-CG 4.25Å; F4-E324 HydrophobicContact CE1-CB 3.59Å; F4-E324 HydrophobicContact CE1-CG 3.8Å; F4-E324 HydrophobicContact CE2-CG 4.44Å; F4-E324 HydrophobicContact CZ-CB 4.21Å; F4-E324 HydrophobicContact CZ-CG 3.9Å; S34-E324 PolarHBondContact N-O 3.47Å; S34-E324 WeakPolarHBondContact OG-CB 3.3Å; S34-E324 VanDerWaalsContact OG-CG 3.27Å; S34-E324 WeakPolarHBondContact OG-CG 3.39Å; S34-E324 PolarHBondContact OG-O 3.46Å; S34-E324 VanDerWaalsContact OG-O 3.12Å; S34-E324 PolarHBondContact OG-OE2 3.29Å; Q35-E324 HydrophobicContact CB-CB 3.8Å; Q35-E324 HydrophobicContact CG-CB 4.27Å; Q35-E324 WeakPolarHBondContact CG-OE2 3.44Å; Q35-E324 PolarHBondContact NE2-OE2 2.97Å; Q35-E324 PolarHBondContact O-N 3.47Å
325P95.5Very high95.3Very high9 Ų955.8 Ų55.86%0.05827%0.27CS..EExtended strand (participates in β ladder)trans-64.4141.9178.427.7-38.9000112.6E3 W5 L323 K327 Q330 L333E3-P325 VanDerWaalsContact O-CD 3.26Å; E3-P325 WeakPolarHBondContact O-CD 3.33Å; E3-P325 WeakPolarHBondContact O-CG 3.39Å; W5-P325 HydrophobicContact CD2-CB 4.22Å; W5-P325 HydrophobicContact CD2-CG 3.8Å; W5-P325 HydrophobicContact CE3-CB 4.31Å; W5-P325 HydrophobicContact CE3-CG 4.35Å; W5-P325 HydrophobicContact CG-CG 4.09Å; W5-P325 HydrophobicContact CH2-CB 4.24Å; W5-P325 HydrophobicContact CZ2-CB 4.07Å; W5-P325 HydrophobicContact CZ2-CG 4.08Å; W5-P325 HydrophobicContact CZ3-CB 4.35Å; L323-P325 VanDerWaalsContact C-CD 3.45Å; L323-P325 WeakPolarHBondContact O-CD 3.37Å; P325-K327 PolarHBondContact O-N 2.78Å; P325-Q330 HydrophobicContact CB-CG 4.12Å; P325-L333 HydrophobicContact CB-CD2 3.81Å
326N93.9Very high95.5Very high64 Ų6450.8 Ų50.834%0.34224%0.237SC..  trans-71.1123.7163.6-176.4-36000109.7D31 I32 K328 Q329 Q330D31-N326 WeakPolarHBondContact O-CB 3.46Å; D31-N326 PolarHBondContact O-ND2 3.05Å; I32-N326 WeakPolarHBondContact O-CB 3.2Å; I32-N326 PolarHBondContact O-N 2.83Å; N326-K328 PolarHBondContact O-N 3.16Å; N326-K328 PolarHBondContact OD1-N 2.96Å; N326-Q329 HydrophobicContact CB-CB 4.27Å; N326-Q329 CarbonylContact O-C 3.54Å; N326-Q329 PolarHBondContact O-N 3.28Å; N326-Q330 WeakPolarHBondContact O-CG 3.21Å; N326-Q330 PolarHBondContact O-N 3.24Å
327K91Very high95.7Very high134 Ų13448.7 Ų48.758%0.58323%0.225SC*.THydrogen-bonded Turntrans-48.6-36.5-179.8-174.4173.5-179.7174.70113.7P325P325-K327 PolarHBondContact O-N 2.78Å
328K93.8Very high95.6Very high197 Ų19751.7 Ų51.786%0.85724%0.235SC*.THydrogen-bonded Turntrans-81.7-16.1-178.8-65.3-175.8179.6-179.60113.8N326N326-K328 PolarHBondContact O-N 3.16Å; N326-K328 PolarHBondContact OD1-N 2.96Å
329Q93.7Very high95.5Very high50 Ų5058.2 Ų58.223%0.23427%0.266CS..THydrogen-bonded Turntrans-120.313.6-171.8-58.9-169.6-11.400113.2D31 I32 N326 K331 K332 L333D31-Q329 PolarHBondContact O-OE1 2.91Å; D31-Q329 PolarHBondContact OD2-NE2 3.12Å; D31-Q329 PolarHBondContact OD2-OE1 3.06Å; D31-Q329 VanDerWaalsContact OD2-OE1 3.11Å; I32-Q329 HydrophobicContact CB-CB 4.42Å; I32-Q329 HydrophobicContact CG1-CB 4.34Å; I32-Q329 HydrophobicContact CG2-CB 4.27Å; N326-Q329 HydrophobicContact CB-CB 4.27Å; N326-Q329 CarbonylContact O-C 3.54Å; N326-Q329 PolarHBondContact O-N 3.28Å; Q329-K331 VanDerWaalsContact C-N 3.29Å; Q329-K331 PolarHBondContact O-N 3.04Å; Q329-K332 WeakPolarHBondContact O-CB 3.43Å; Q329-K332 PolarHBondContact O-N 3.24Å; Q329-L333 PolarHBondContact O-N 3.43Å
330Q94.1Very high95.4Very high45 Ų4559.6 Ų59.621%0.2127%0.273CS..Hα-helixtrans-53.2-42.7179-69.7-171.2-2500113.1E3 W5 P325 N326 K332 L333 R334E3-Q330 PolarHBondContact OE1-NE2 3.49Å; W5-Q330 HydrophobicContact CH2-CB 3.85Å; W5-Q330 HydrophobicContact CH2-CG 4.13Å; W5-Q330 HydrophobicContact CZ2-CB 3.83Å; W5-Q330 HydrophobicContact CZ2-CG 3.74Å; P325-Q330 HydrophobicContact CB-CG 4.12Å; N326-Q330 WeakPolarHBondContact O-CG 3.21Å; N326-Q330 PolarHBondContact O-N 3.24Å; Q330-K332 PolarHBondContact O-N 2.92Å; Q330-L333 WeakPolarHBondContact O-CB 3.47Å; Q330-L333 PolarHBondContact O-N 2.9Å; Q330-R334 WeakPolarHBondContact O-CG 3.21Å; Q330-R334 PolarHBondContact O-N 3.13Å
331K94.7Very high95.2Very high166 Ų16659.6 Ų59.672%0.72227%0.273SS*.Hα-helixtrans-58.7-47.1176.7-173.2178.9178.8-179.90111.7Q329 L333 R334 D335Q329-K331 VanDerWaalsContact C-N 3.29Å; Q329-K331 PolarHBondContact O-N 3.04Å; K331-L333 VanDerWaalsContact C-N 3.3Å; K331-L333 PolarHBondContact O-N 3.19Å; K331-R334 WeakPolarHBondContact O-CB 3.44Å; K331-R334 PolarHBondContact O-N 2.88Å; K331-R334 VanDerWaalsContact O-N 3.12Å; K331-D335 PolarHBondContact O-N 3.08Å
332K95.6Very high95Very high97 Ų9763.3 Ų63.342%0.42229%0.293SS..Hα-helixtrans-63.7-35.7178.3-162.8-178.8169.9-167.10111.6I32 Q329 Q330 D335 I336I32-K332 HydrophobicContact CD1-CB 4.29Å; I32-K332 HydrophobicContact CD1-CD 3.41Å; I32-K332 VanDerWaalsContact CD1-CD 3.41Å; I32-K332 VanDerWaalsContact CD1-CE 3.4Å; I32-K332 HydrophobicContact CD1-CG 3.71Å; I32-K332 HydrophobicContact CG1-CD 3.97Å; Q329-K332 WeakPolarHBondContact O-CB 3.43Å; Q329-K332 PolarHBondContact O-N 3.24Å; Q330-K332 PolarHBondContact O-N 2.92Å; K332-D335 PolarHBondContact O-N 3.09Å; K332-I336 WeakPolarHBondContact O-CG1 3.37Å; K332-I336 PolarHBondContact O-N 3.46Å; K332-I336 VanDerWaalsContact O-N 3.08Å
333L96.7Very high94.7Very high0 Ų068.2 Ų68.20%032%0.315CS..Hα-helixtrans-65.1-42.9173.1-170.851.2000111.9W5 L26 I32 C33 P325 Q329 Q330 K331 D335 I336 L337W5-L333 HydrophobicContact CE3-CD2 3.69Å; W5-L333 HydrophobicContact CE3-CG 4.25Å; W5-L333 HydrophobicContact CH2-CB 4.26Å; W5-L333 HydrophobicContact CH2-CD2 4.23Å; W5-L333 HydrophobicContact CH2-CG 4.47Å; W5-L333 HydrophobicContact CZ3-CB 3.87Å; W5-L333 HydrophobicContact CZ3-CD2 3.4Å; W5-L333 HydrophobicContact CZ3-CG 3.62Å; L26-L333 HydrophobicContact CD1-CD1 4.17Å; L26-L333 HydrophobicContact CD2-CD1 3.45Å; L26-L333 VanDerWaalsContact CD2-CD1 3.45Å; L26-L333 HydrophobicContact CG-CD1 4.49Å; I32-L333 HydrophobicContact CG2-CB 3.5Å; I32-L333 VanDerWaalsContact CG2-CB 3.5Å; I32-L333 HydrophobicContact CG2-CD1 3.96Å; I32-L333 HydrophobicContact CG2-CG 4.16Å; C33-L333 HydrophobicContact CB-CD1 4.21Å; C33-L333 HydrophobicContact CB-CD2 4.11Å; P325-L333 HydrophobicContact CB-CD2 3.81Å; Q329-L333 PolarHBondContact O-N 3.43Å; Q330-L333 WeakPolarHBondContact O-CB 3.47Å; Q330-L333 PolarHBondContact O-N 2.9Å; K331-L333 VanDerWaalsContact C-N 3.3Å; K331-L333 PolarHBondContact O-N 3.19Å; L333-D335 VanDerWaalsContact C-N 3.3Å; L333-D335 PolarHBondContact O-N 3.14Å; L333-I336 PolarHBondContact O-N 3.49Å; L333-L337 HydrophobicContact CD1-CD1 4.48Å; L333-L337 HydrophobicContact CD1-CG 4.36Å; L333-L337 HydrophobicContact CG-CD1 4.16Å; L333-L337 HydrophobicContact CG-CG 4.48Å; L333-L337 WeakPolarHBondContact O-CG 3.44Å; L333-L337 PolarHBondContact O-N 2.99Å
334R96.4Very high94.3Very high32 Ų3268.6 Ų68.612%0.12132%0.318CS..Hα-helixtrans-60.5-40.6174.2-67.8-54.9-169.7-150.96.8111.7W5 Q330 K331 I336 L337 K338 F369 S373W5-R334 VanDerWaalsContact CE3-CZ 3.5Å; W5-R334 HydrophobicContact CH2-CG 3.95Å; W5-R334 HydrophobicContact CZ3-CG 4.27Å; Q330-R334 WeakPolarHBondContact O-CG 3.21Å; Q330-R334 PolarHBondContact O-N 3.13Å; K331-R334 WeakPolarHBondContact O-CB 3.44Å; K331-R334 PolarHBondContact O-N 2.88Å; K331-R334 VanDerWaalsContact O-N 3.12Å; R334-I336 PolarHBondContact O-N 3.49Å; R334-L337 PolarHBondContact O-N 2.83Å; R334-K338 VanDerWaalsContact O-CB 3.27Å; R334-K338 WeakPolarHBondContact O-CB 3.34Å; R334-K338 PolarHBondContact O-N 3.06Å; R334-F369 VanDerWaalsContact CD-CE1 3.46Å; R334-F369 HydrophobicContact CG-CE1 4.15Å; R334-S373 PolarHBondContact NH1-OG 3.24Å; R334-S373 PolarHBondContact NH2-OG 3.47Å
335D95.5Very high93.8Very high77 Ų7769.7 Ų69.741%0.41232%0.324SS..Hα-helixtrans-62.3-43.1176.8-64-30.6000111.6K331 K332 L333 K338 Q339K331-D335 PolarHBondContact O-N 3.08Å; K332-D335 PolarHBondContact O-N 3.09Å; L333-D335 VanDerWaalsContact C-N 3.3Å; L333-D335 PolarHBondContact O-N 3.14Å; D335-K338 PolarHBondContact O-N 3.4Å; D335-Q339 WeakPolarHBondContact O-CG 3.33Å; D335-Q339 PolarHBondContact O-N 3.43Å
336I95.8Very high92.5Very high13 Ų1371.9 Ų71.97%0.06735%0.349CS..Hα-helixtrans-63.5-47.7175.9-67.3164.5000111.2T25 L26 Y29 I32 K332 L333 R334 K338 Q339 L340T25-I336 HydrophobicContact CG2-CG2 4.15Å; L26-I336 HydrophobicContact CD2-CG2 3.97Å; Y29-I336 HydrophobicContact CD1-CD1 4.23Å; Y29-I336 HydrophobicContact CD2-CD1 3.77Å; Y29-I336 HydrophobicContact CE1-CD1 4.38Å; Y29-I336 HydrophobicContact CE2-CD1 3.95Å; Y29-I336 HydrophobicContact CG-CD1 3.92Å; I32-I336 HydrophobicContact CD1-CD1 3.43Å; I32-I336 VanDerWaalsContact CD1-CD1 3.43Å; K332-I336 WeakPolarHBondContact O-CG1 3.37Å; K332-I336 PolarHBondContact O-N 3.46Å; K332-I336 VanDerWaalsContact O-N 3.08Å; L333-I336 PolarHBondContact O-N 3.49Å; R334-I336 PolarHBondContact O-N 3.49Å; I336-K338 VanDerWaalsContact C-N 3.32Å; I336-K338 PolarHBondContact O-N 2.88Å; I336-Q339 PolarHBondContact O-N 3.44Å; I336-L340 HydrophobicContact CG2-CD1 4.27Å; I336-L340 WeakPolarHBondContact O-CG 3.13Å; I336-L340 PolarHBondContact O-N 3.46Å
337L96.5Very high90.8Very high0 Ų071.5 Ų71.50%035%0.351CS..Hα-helixtrans-63.6-39.5178.7-68172.2000111.3W5 I7 L22 L323 L333 R334 L340 Y341 Y371W5-L337 HydrophobicContact CE3-CD1 4.44Å; W5-L337 HydrophobicContact CZ3-CD1 4.38Å; I7-L337 HydrophobicContact CD1-CD2 3.96Å; L22-L337 HydrophobicContact CD1-CD2 3.8Å; L323-L337 HydrophobicContact CD1-CD1 4.04Å; L323-L337 HydrophobicContact CD1-CD2 4.36Å; L333-L337 HydrophobicContact CD1-CD1 4.48Å; L333-L337 HydrophobicContact CD1-CG 4.36Å; L333-L337 HydrophobicContact CG-CD1 4.16Å; L333-L337 HydrophobicContact CG-CG 4.48Å; L333-L337 WeakPolarHBondContact O-CG 3.44Å; L333-L337 PolarHBondContact O-N 2.99Å; R334-L337 PolarHBondContact O-N 2.83Å; L337-L340 PolarHBondContact O-N 3.16Å; L337-Y341 HydrophobicContact CB-CD2 4.46Å; L337-Y341 HydrophobicContact CD2-CD2 4.34Å; L337-Y341 HydrophobicContact CD2-CE2 3.93Å; L337-Y341 WeakPolarHBondContact O-CB 3.38Å; L337-Y341 WeakPolarHBondContact O-CD2 3.46Å; L337-Y341 PolarHBondContact O-N 2.88Å; L337-Y371 HydrophobicContact CB-CE1 3.68Å; L337-Y371 WeakPolarHBondContact CB-OH 3.28Å; L337-Y371 HydrophobicContact CD1-CE2 4.27Å; L337-Y371 WeakPolarHBondContact CD1-OH 3.25Å
338K93.9Very high88.9Confident116 Ų11667.9 Ų67.950%0.50434%0.342SS..Hα-helixtrans-60.4-48.8173.1-173.8173.9-177.9173.70110.4R334 D335 I336 L340 Y341 N342R334-K338 VanDerWaalsContact O-CB 3.27Å; R334-K338 WeakPolarHBondContact O-CB 3.34Å; R334-K338 PolarHBondContact O-N 3.06Å; D335-K338 PolarHBondContact O-N 3.4Å; I336-K338 VanDerWaalsContact C-N 3.32Å; I336-K338 PolarHBondContact O-N 2.88Å; K338-L340 PolarHBondContact O-N 2.83Å; K338-Y341 PolarHBondContact O-N 3.46Å; K338-Y341 VanDerWaalsContact O-N 3.16Å; K338-N342 VanDerWaalsContact CE-OD1 3.3Å; K338-N342 WeakPolarHBondContact CE-OD1 3.38Å; K338-N342 HydrophobicContact CG-CB 4.29Å; K338-N342 WeakPolarHBondContact O-CA 3.2Å; K338-N342 WeakPolarHBondContact O-CB 3.36Å; K338-N342 PolarHBondContact O-N 3.16Å
339Q94.3Very high86.6Confident163 Ų16362.6 Ų62.676%0.76233%0.331SS*.Hα-helixtrans-56.8-38.4177-75.1175.5-3.800113.1D335 I336D335-Q339 WeakPolarHBondContact O-CG 3.33Å; D335-Q339 PolarHBondContact O-N 3.43Å; I336-Q339 PolarHBondContact O-N 3.44Å
340L94Very high84.2Confident48 Ų4864.6 Ų64.625%0.25135%0.35SS..Hα-helixtrans-71.4-37.6178-70.3173.2000113.1L22 T25 I336 L337 K338 H343L22-L340 HydrophobicContact CD1-CD1 3.59Å; T25-L340 HydrophobicContact CG2-CD1 4.05Å; T25-L340 HydrophobicContact CG2-CD2 4.37Å; I336-L340 HydrophobicContact CG2-CD1 4.27Å; I336-L340 WeakPolarHBondContact O-CG 3.13Å; I336-L340 PolarHBondContact O-N 3.46Å; L337-L340 PolarHBondContact O-N 3.16Å; K338-L340 PolarHBondContact O-N 2.83Å; L340-H343 PolarHBondContact O-CE1 3.31Å; L340-H343 PolarHBondContact O-ND1 2.91Å; L340-H343 VanDerWaalsContact O-ND1 3.14Å
341Y95Very high81.7Confident3 Ų367.1 Ų67.11%0.01237%0.372CS..Hα-helixtrans-121.73.3-163.7-58.3-60.6000115.1V9 L22 L337 K338 H343 L344 P370 Y371V9-Y341 HydrophobicContact CB-CD1 4.4Å; V9-Y341 HydrophobicContact CB-CE1 4.01Å; V9-Y341 HydrophobicContact CG1-CD1 3.82Å; V9-Y341 HydrophobicContact CG1-CD2 4.08Å; V9-Y341 HydrophobicContact CG1-CE1 3.61Å; V9-Y341 HydrophobicContact CG1-CE2 3.91Å; V9-Y341 HydrophobicContact CG1-CG 4.05Å; V9-Y341 HydrophobicContact CG2-CE1 4.25Å; L22-Y341 HydrophobicContact CD1-CE2 4.29Å; L337-Y341 HydrophobicContact CB-CD2 4.46Å; L337-Y341 HydrophobicContact CD2-CD2 4.34Å; L337-Y341 HydrophobicContact CD2-CE2 3.93Å; L337-Y341 WeakPolarHBondContact O-CB 3.38Å; L337-Y341 WeakPolarHBondContact O-CD2 3.46Å; L337-Y341 PolarHBondContact O-N 2.88Å; K338-Y341 PolarHBondContact O-N 3.46Å; K338-Y341 VanDerWaalsContact O-N 3.16Å; Y341-H343 PolarHBondContact O-N 3.37Å; Y341-L344 HydrophobicContact CD1-CD1 4.33Å; Y341-L344 WeakPolarHBondContact O-CB 3.08Å; Y341-L344 WeakPolarHBondContact O-CG 3.43Å; Y341-L344 PolarHBondContact O-N 3.15Å; Y341-P370 VanDerWaalsContact O-CB 3.23Å; Y341-P370 WeakPolarHBondContact O-CB 3.28Å; Y341-Y371 AromaticContact CD2-CD1 3.91Å; Y341-Y371 HydrophobicContact CD2-CD1 3.91Å; Y341-Y371 HydrophobicContact CD2-CE1 4.3Å; Y341-Y371 HydrophobicContact CD2-CG 4.47Å; Y341-Y371 HydrophobicContact CG-CD1 4.18Å
342N93Very high79.1Confident78 Ų7864.4 Ų64.442%0.41737%0.37SS..THydrogen-bonded Turntrans-58.6-21.7179.2-167.482.2000113.6K338 L344 D345K338-N342 VanDerWaalsContact CE-OD1 3.3Å; K338-N342 WeakPolarHBondContact CE-OD1 3.38Å; K338-N342 HydrophobicContact CG-CB 4.29Å; K338-N342 WeakPolarHBondContact O-CA 3.2Å; K338-N342 WeakPolarHBondContact O-CB 3.36Å; K338-N342 PolarHBondContact O-N 3.16Å; N342-L344 PolarHBondContact O-N 3.14Å; N342-D345 PolarHBondContact O-N 3.07Å
343H91.6Very high76.3Confident105 Ų10567 Ų6749%0.48639%0.387SS..THydrogen-bonded Turntrans-66-18.6175.664.2-89000113.1L340 Y341 D345 G346L340-H343 PolarHBondContact O-CE1 3.31Å; L340-H343 PolarHBondContact O-ND1 2.91Å; L340-H343 VanDerWaalsContact O-ND1 3.14Å; Y341-H343 PolarHBondContact O-N 3.37Å; H343-D345 VanDerWaalsContact C-N 3.32Å; H343-D345 PolarHBondContact O-N 3.09Å; H343-G346 PolarHBondContact O-N 3.49Å
344L90.3Very high73.2Confident9 Ų974.3 Ų74.35%0.04743%0.427CS..Hα-helixtrans-72.4-22.1-179.8-61.4-179.9000113.7P10 Y341 N342 G346 S347 S348 P370P10-L344 HydrophobicContact CG-CD1 4.26Å; P10-L344 HydrophobicContact CG-CD2 3.75Å; Y341-L344 HydrophobicContact CD1-CD1 4.33Å; Y341-L344 WeakPolarHBondContact O-CB 3.08Å; Y341-L344 WeakPolarHBondContact O-CG 3.43Å; Y341-L344 PolarHBondContact O-N 3.15Å; N342-L344 PolarHBondContact O-N 3.14Å; L344-G346 PolarHBondContact O-N 2.92Å; L344-S347 WeakPolarHBondContact CA-OG 3.34Å; L344-S347 PolarHBondContact O-N 3.02Å; L344-S347 PolarHBondContact O-OG 3.16Å; L344-S348 PolarHBondContact O-N 3.01Å; L344-S348 PolarHBondContact O-OG 3.11Å; L344-P370 HydrophobicContact CB-CB 4.02Å; L344-P370 VanDerWaalsContact CB-O 3.32Å; L344-P370 WeakPolarHBondContact CB-O 3.49Å; L344-P370 WeakPolarHBondContact CD1-O 3.4Å
345D84.2Confident70.5Confident57 Ų5782.2 Ų82.231%0.30547%0.465SS..Hα-helixtrans-64.8-29.8176.9-74.8-12000111.8N342 H343 Y368 P370N342-D345 PolarHBondContact O-N 3.07Å; H343-D345 VanDerWaalsContact C-N 3.32Å; H343-D345 PolarHBondContact O-N 3.09Å; D345-Y368 WeakPolarHBondContact OD1-CE1 3.26Å; D345-Y368 PolarHBondContact OD1-OH 3.2Å; D345-P370 WeakPolarHBondContact OD1-CA 3.33Å; D345-P370 WeakPolarHBondContact OD1-CB 3.28Å; D345-P370 WeakPolarHBondContact OD1-CG 3.4Å
346G69.5Low67.6Low55 Ų5586.2 Ų86.257%0.56749%0.486SS*.Hα-helixtrans-90.2-18179.100000114.7H343 L344H343-G346 PolarHBondContact O-N 3.49Å; L344-G346 PolarHBondContact O-N 2.92Å
347S58.3Low64.5Low56 Ų5692.9 Ų92.939%0.39252%0.519SS..Hα-helixtrans-93.2-21.9-178.161.30000113.7L344 S350L344-S347 WeakPolarHBondContact CA-OG 3.34Å; L344-S347 PolarHBondContact O-N 3.02Å; L344-S347 PolarHBondContact O-OG 3.16Å; S347-S350 PolarHBondContact O-OG 2.6Å; S347-S350 VanDerWaalsContact O-OG 3.07Å
348S51.1Low61.5Low58 Ų58100.7 Ų100.741%0.40656%0.561SS.*SBendtrans-81.8-25.1-177.942.10000113L344L344-S348 PolarHBondContact O-N 3.01Å; L344-S348 PolarHBondContact O-OG 3.11Å
349S45.2Very low58.5Low87 Ų87100 Ų10061%0.60857%0.566SS**THydrogen-bonded Turntrans-82.8-1217648.80000114.4
350S41.8Very low55.4Low92 Ų9295.1 Ų95.164%0.64356%0.559SS**THydrogen-bonded Turntrans-88.6-5.5-17560.70000114.9S347S347-S350 PolarHBondContact O-OG 2.6Å; S347-S350 VanDerWaalsContact O-OG 3.07Å
351S43Very low52.7Low97 Ų9796.4 Ų96.468%0.67858%0.584SS**SBendtrans-113.3-16.7-168.8-58.10000116.6
352V40Very low49.7Very low110 Ų110106.2 Ų106.267%0.66763%0.627SS**SBendtrans-154.1124.2170.9-162.50000110.3
353L36Very low46.7Very low150 Ų150105.3 Ų105.379%0.78564%0.637SS**  trans94.6109.7166.6-49.8-179.2000116.8
354D33.1Very low44Very low155 Ų155106.6 Ų106.683%0.82965%0.652SS**  trans-41.7151.6166-66.7-53.4000113.8D356D354-D356 PolarHBondContact O-N 3.45Å
355E39.5Very low41.6Very low198 Ų198112.3 Ų112.393%0.92569%0.692SS**THydrogen-bonded Turntrans-55.311.8-165.4-68.5-176.1132.900118.9
356D34.1Very low40.2Very low160 Ų160114.4 Ų114.486%0.85671%0.711SS**THydrogen-bonded Turntrans-109.917.9-172.7-80.7-31.5000115.9D354D354-D356 PolarHBondContact O-N 3.45Å
357M30.8Very low40.5Very low154 Ų154116.9 Ų116.976%0.75971%0.712SS**  trans-127.966.2167.9-86.7-155.1170.800112V359M357-V359 HydrophobicContact CB-CG2 3.92Å; M357-V359 HydrophobicContact CG-CG2 4.02Å; M357-V359 PolarHBondContact O-N 2.86Å; M357-V359 HydrophobicContact SD-CG2 3.8Å
358N32.5Very low41.8Very low164 Ų164121 Ų12188%0.87772%0.72SS**  trans-66.471148.2-157.37.9000107.8G360N358-G360 PolarHBondContact O-N 2.72Å
359V31.5Very low43.8Very low100 Ų100119.9 Ų119.961%0.60671%0.708SS**  trans-68.783.9170.1175.80000106M357 G361M357-V359 HydrophobicContact CB-CG2 3.92Å; M357-V359 HydrophobicContact CG-CG2 4.02Å; M357-V359 PolarHBondContact O-N 2.86Å; M357-V359 HydrophobicContact SD-CG2 3.8Å; V359-G361 PolarHBondContact O-N 3.48Å
360G28.4Very low46Very low61 Ų61116.2 Ų116.263%0.62968%0.682SS**  trans-56.1130.1161.300000109.2N358N358-G360 PolarHBondContact O-N 2.72Å
361G37.9Very low48.6Very low75 Ų75112 Ų11277%0.77365%0.652SS**  trans60.476.5149.100000116.5V359V359-G361 PolarHBondContact O-N 3.48Å
362F32Very low51.1Low210 Ų210107.5 Ų107.592%0.92162%0.62SS**  trans-133.9111.7152.8-124.2-96.8000109.6
363G30.9Very low53.8Low59 Ų59103.4 Ų103.461%0.60860%0.597SS**SBendtrans117.386.2168.100000115.8S365G363-S365 PolarHBondContact O-N 3.42Å
364T34.8Very low56.7Low131 Ų13197.6 Ų97.680%0.80457%0.565SS**THydrogen-bonded Turntrans25.195.4146.2590000117.4S366T364-S366 PolarHBondContact O-N 3.13Å
365S38.3Very low59.6Low129 Ų12994 Ų9490%0.90254%0.542SS*.THydrogen-bonded Turntrans27.448.8153.858.20000117G363G363-S365 PolarHBondContact O-N 3.42Å
366S55.3Low62.2Low101 Ų10184.6 Ų84.671%0.70650%0.498SS*.  trans-91.1131.7175.9-170.40000108T364 Y368T364-S366 PolarHBondContact O-N 3.13Å; S366-Y368 PolarHBondContact O-N 2.85Å
367D75.2Confident64.9Low107 Ų10781.1 Ų81.157%0.57248%0.477SS*.  trans-63.5104.8174.1-67.3-35.9000108.5F369D367-F369 HydrophobicContact CB-CD2 4.47Å; D367-F369 HydrophobicContact CB-CE1 4.29Å; D367-F369 HydrophobicContact CB-CE2 3.49Å; D367-F369 VanDerWaalsContact CB-CE2 3.49Å; D367-F369 HydrophobicContact CB-CZ 3.37Å; D367-F369 VanDerWaalsContact O-CD2 3.23Å; D367-F369 WeakPolarHBondContact O-CD2 3.44Å; D367-F369 WeakPolarHBondContact O-CE2 3.47Å
368Y86.6Confident67.7Low142 Ų14275.2 Ų75.256%0.55745%0.448SS*.  trans-72.4133.8174175.5-92.1000110.4D345 S366D345-Y368 WeakPolarHBondContact OD1-CE1 3.26Å; D345-Y368 PolarHBondContact OD1-OH 3.2Å; S366-Y368 PolarHBondContact O-N 2.85Å
369F92.7Very high70.1Confident35 Ų3569.9 Ų69.915%0.15442%0.42CS..  trans-129.3151171.9-54.5-72.5000110.3R311 R334 D367 Y371R311-F369 PolarHBondContact NH1-O 3.44Å; R334-F369 VanDerWaalsContact CD-CE1 3.46Å; R334-F369 HydrophobicContact CG-CE1 4.15Å; D367-F369 HydrophobicContact CB-CD2 4.47Å; D367-F369 HydrophobicContact CB-CE1 4.29Å; D367-F369 HydrophobicContact CB-CE2 3.49Å; D367-F369 VanDerWaalsContact CB-CE2 3.49Å; D367-F369 HydrophobicContact CB-CZ 3.37Å; D367-F369 VanDerWaalsContact O-CD2 3.23Å; D367-F369 WeakPolarHBondContact O-CD2 3.44Å; D367-F369 WeakPolarHBondContact O-CE2 3.47Å; F369-Y371 HydrophobicContact CB-CD1 4.25Å; F369-Y371 HydrophobicContact CB-CD2 4.22Å; F369-Y371 HydrophobicContact CB-CE1 4.02Å; F369-Y371 HydrophobicContact CB-CE2 3.96Å; F369-Y371 HydrophobicContact CB-CG 4.34Å; F369-Y371 WeakPolarHBondContact CB-O 3.36Å; F369-Y371 HydrophobicContact CG-CE2 4.21Å; F369-Y371 PolarHBondContact O-N 3.38Å
370P92.2Very high72.4Confident11 Ų1165.6 Ų65.67%0.07139%0.393CS..SBendtrans-61.4-12.2173.9-20.930.5000114.3Y341 L344 D345Y341-P370 VanDerWaalsContact O-CB 3.23Å; Y341-P370 WeakPolarHBondContact O-CB 3.28Å; L344-P370 HydrophobicContact CB-CB 4.02Å; L344-P370 VanDerWaalsContact CB-O 3.32Å; L344-P370 WeakPolarHBondContact CB-O 3.49Å; L344-P370 WeakPolarHBondContact CD1-O 3.4Å; D345-P370 WeakPolarHBondContact OD1-CA 3.33Å; D345-P370 WeakPolarHBondContact OD1-CB 3.28Å; D345-P370 WeakPolarHBondContact OD1-CG 3.4Å
371Y95.2Very high74.5Confident2 Ų263.9 Ų63.91%0.00837%0.369CS..SBendtrans-124.4156.2-179.854.5-93.1000109.6I7 S8 V9 Y312 L337 Y341 F369 S373I7-Y371 HydrophobicContact CB-CD2 4.05Å; I7-Y371 HydrophobicContact CB-CE2 4.3Å; I7-Y371 HydrophobicContact CG2-CD2 4.01Å; I7-Y371 HydrophobicContact CG2-CE2 3.76Å; S8-Y371 WeakPolarHBondContact O-CB 3.4Å; V9-Y371 HydrophobicContact CG1-CG 4.47Å; Y312-Y371 WeakPolarHBondContact OH-CA 3.21Å; L337-Y371 HydrophobicContact CB-CE1 3.68Å; L337-Y371 WeakPolarHBondContact CB-OH 3.28Å; L337-Y371 HydrophobicContact CD1-CE2 4.27Å; L337-Y371 WeakPolarHBondContact CD1-OH 3.25Å; Y341-Y371 AromaticContact CD2-CD1 3.91Å; Y341-Y371 HydrophobicContact CD2-CD1 3.91Å; Y341-Y371 HydrophobicContact CD2-CE1 4.3Å; Y341-Y371 HydrophobicContact CD2-CG 4.47Å; Y341-Y371 HydrophobicContact CG-CD1 4.18Å; F369-Y371 HydrophobicContact CB-CD1 4.25Å; F369-Y371 HydrophobicContact CB-CD2 4.22Å; F369-Y371 HydrophobicContact CB-CE1 4.02Å; F369-Y371 HydrophobicContact CB-CE2 3.96Å; F369-Y371 HydrophobicContact CB-CG 4.34Å; F369-Y371 WeakPolarHBondContact CB-O 3.36Å; F369-Y371 HydrophobicContact CG-CE2 4.21Å; F369-Y371 PolarHBondContact O-N 3.38Å; Y371-S373 PolarHBondContact O-N 2.85Å
372V96Very high75.7Confident3 Ų365.8 Ų65.82%0.01836%0.362CS..EExtended strand (participates in β ladder)trans-65.5132.4175.1177.20000108.7I7 S8 E307 R311 Y312 F374I7-V372 CarbonylContact C-O 3.49Å; I7-V372 WeakPolarHBondContact CA-O 3.25Å; S8-V372 PolarHBondContact N-O 2.93Å; S8-V372 PolarHBondContact O-N 2.92Å; E307-V372 HydrophobicContact CB-CG1 3.87Å; E307-V372 HydrophobicContact CB-CG2 3.94Å; R311-V372 HydrophobicContact CG-CG2 4.45Å; Y312-V372 HydrophobicContact CE2-CG2 4.3Å; Y312-V372 PolarHBondContact OH-N 2.81Å; V372-F374 HydrophobicContact CG1-CD2 3.97Å; V372-F374 HydrophobicContact CG1-CE2 3.46Å; V372-F374 VanDerWaalsContact CG1-CE2 3.46Å; V372-F374 HydrophobicContact CG1-CZ 4.25Å
373S96.6Very high76.7Confident25 Ų2562 Ų6218%0.17536%0.356CS..EExtended strand (participates in β ladder)trans-143.6125.8177.5-168.70000112I6 R334 Y371I6-S373 WeakPolarHBondContact O-CA 3.44Å; R334-S373 PolarHBondContact NH1-OG 3.24Å; R334-S373 PolarHBondContact NH2-OG 3.47Å; Y371-S373 PolarHBondContact O-N 2.85Å
374F96.4Very high77Confident28 Ų2873.6 Ų73.612%0.12338%0.381CS..EExtended strand (participates in β ladder)trans-122.8143.5171.1-65.9-65.7000110.8W5 I6 R303 V304 E307 V372W5-F374 CarbonylContact C-O 3.59Å; W5-F374 WeakPolarHBondContact CA-O 3.39Å; I6-F374 PolarHBondContact N-O 3.16Å; I6-F374 PolarHBondContact O-N 3.35Å; R303-F374 HydrophobicContact CB-CD2 4.49Å; R303-F374 HydrophobicContact CB-CE2 4.01Å; R303-F374 HydrophobicContact CB-CZ 4.18Å; R303-F374 VanDerWaalsContact CZ-CE1 3.48Å; V304-F374 HydrophobicContact CG2-CD2 3.57Å; V304-F374 HydrophobicContact CG2-CE2 4.09Å; E307-F374 HydrophobicContact CB-CE2 4.41Å; E307-F374 HydrophobicContact CB-CZ 4.49Å; E307-F374 HydrophobicContact CG-CE2 4.19Å; E307-F374 HydrophobicContact CG-CZ 3.86Å; V372-F374 HydrophobicContact CG1-CD2 3.97Å; V372-F374 HydrophobicContact CG1-CE2 3.46Å; V372-F374 VanDerWaalsContact CG1-CE2 3.46Å; V372-F374 HydrophobicContact CG1-CZ 4.25Å
375K94.7Very high79.1Confident79 Ų7970.7 Ų70.734%0.34336%0.36SS..EExtended strand (participates in β ladder)trans-92.6148171.5-62.6-175.1-179.61770109.9F4 K300F4-K375 CarbonylContact O-C 3.53Å; K300-K375 PolarHBondContact NZ-O 3.23Å
376V94.4Very high81.3Confident0 Ų067.6 Ų67.60%033%0.331CS..EExtended strand (participates in β ladder)trans-125.5102170-165.20000107F4 I6 L104 M296 K300 L378F4-V376 HydrophobicContact CB-CB 4.24Å; F4-V376 PolarHBondContact N-O 3.49Å; F4-V376 PolarHBondContact O-N 3.06Å; I6-V376 HydrophobicContact CD1-CG2 3.67Å; I6-V376 HydrophobicContact CG1-CG2 3.93Å; L104-V376 HydrophobicContact CD2-CB 3.97Å; L104-V376 HydrophobicContact CD2-CG1 3.83Å; L104-V376 HydrophobicContact CD2-CG2 4.26Å; M296-V376 HydrophobicContact CE-CG1 4.3Å; K300-V376 HydrophobicContact CD-CB 4.36Å; K300-V376 HydrophobicContact CD-CG1 4.24Å; K300-V376 HydrophobicContact CD-CG2 3.58Å; V376-L378 HydrophobicContact CG1-CD2 4.19Å
377E89.9Confident82.7Confident88 Ų8865.8 Ų65.841%0.41131%0.311SS..EExtended strand (participates in β ladder)trans-80125173.1-65.8-175.9178.100109.1K72 N379 M380K72-E377 IonicContact NZ-OE2 2.67Å; E377-N379 VanDerWaalsContact C-N 3.29Å; E377-M380 WeakPolarHBondContact O-CE 3.33Å
378L89.5Confident83.2Confident29 Ų2963.4 Ų63.415%0.15230%0.295CS..  trans-90.95.6173.3-58.8-171.2000112.9T2 F4 P100 A101 L104 F293 V376 M380T2-L378 HydrophobicContact CG2-CD1 4.43Å; T2-L378 PolarHBondContact O-N 2.78Å; F4-L378 HydrophobicContact CD2-CD1 3.71Å; F4-L378 HydrophobicContact CD2-CG 4.08Å; F4-L378 HydrophobicContact CE2-CD1 3.45Å; F4-L378 VanDerWaalsContact CE2-CD1 3.45Å; F4-L378 HydrophobicContact CE2-CG 4.32Å; P100-L378 HydrophobicContact CB-CD2 4.28Å; A101-L378 HydrophobicContact CB-CD1 3.59Å; L104-L378 HydrophobicContact CD2-CD2 4.34Å; F293-L378 HydrophobicContact CE2-CD2 3.78Å; F293-L378 HydrophobicContact CZ-CD2 3.64Å; V376-L378 HydrophobicContact CG1-CD2 4.19Å; L378-M380 PolarHBondContact O-N 3.46Å
379N83.6Confident83Confident52 Ų5258.4 Ų58.428%0.27828%0.279SS..  trans-76.894.7176.8-168.535.3000110.4M1 K72 E377 I381M1-N379 HydrophobicContact SD-CB 4.34Å; K72-N379 WeakPolarHBondContact CE-O 3.23Å; E377-N379 VanDerWaalsContact C-N 3.29Å; N379-I381 PolarHBondContact ND2-O 2.92Å; N379-I381 PolarHBondContact OD1-O 2.83Å
380M80.5Confident82.3Confident11 Ų1160 Ų605%0.05429%0.287CS..  trans-90.7-8.7-178-62.7-62.3157.600113.5T71 K72 A75 L93 F289 F293 M296 E377 L378T71-M380 HydrophobicContact CG2-CE 4.33Å; T71-M380 HydrophobicContact CG2-SD 3.66Å; K72-M380 HydrophobicContact CG-SD 4.24Å; A75-M380 HydrophobicContact CB-CB 3.8Å; L93-M380 HydrophobicContact CD1-CB 4.2Å; F289-M380 HydrophobicContact CE2-CB 4.37Å; F289-M380 HydrophobicContact CE2-CG 4Å; F289-M380 HydrophobicContact CE2-SD 4.44Å; F289-M380 HydrophobicContact CZ-CG 4.19Å; F293-M380 HydrophobicContact CD2-CE 3.59Å; F293-M380 HydrophobicContact CE2-CE 3.46Å; F293-M380 VanDerWaalsContact CE2-CE 3.46Å; M296-M380 HydrophobicContact CE-CE 4.09Å; E377-M380 WeakPolarHBondContact O-CE 3.33Å; L378-M380 PolarHBondContact O-N 3.46Å
381I71.3Confident81.6Confident24 Ų2463.5 Ų63.512%0.12330%0.303CS..SBendtrans-129129.3-175.7-53.2150.8000108L89 L93 N379 V383L89-I381 HydrophobicContact CD2-CD1 3.32Å; L89-I381 HydrophobicContact CD2-CG1 3.68Å; L89-I381 HydrophobicContact CG-CD1 3.82Å; L93-I381 HydrophobicContact CD1-CD1 3.95Å; L93-I381 HydrophobicContact CD1-CG1 4.31Å; N379-I381 PolarHBondContact ND2-O 2.92Å; N379-I381 PolarHBondContact OD1-O 2.83Å; I381-V383 PolarHBondContact O-N 3.08Å; I381-V383 VanDerWaalsContact O-N 3.1Å
382D63.5Low80.5Confident116 Ų11668.2 Ų68.262%0.6233%0.325SS*.  trans-73.9101.4165.2-74.7-26.7000107.8R384D382-R384 VanDerWaalsContact C-N 3.3Å; D382-R384 PolarHBondContact O-N 2.68Å
383V52.3Low79.3Confident131 Ų13173.7 Ų73.779%0.79435%0.351SS*.  trans-71.793.3166.7-171.70000106.4I381I381-V383 PolarHBondContact O-N 3.08Å; I381-V383 VanDerWaalsContact O-N 3.1Å
384R38.5Very low77.7Confident301 Ų30178.1 Ų78.1100%1.13637%0.367SS*.  trans-79.10162.8-76.7-169.9-179.7-175.30.9110.4D382D382-R384 VanDerWaalsContact C-N 3.3Å; D382-R384 PolarHBondContact O-N 2.68Å

Retrieved 384 of 384 residues in 90.9 ms (Link to these results)