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Adenylosuccinate lyase

Catalyzes conversion of succinyladenosine monophosphate (SAMP) to AMP and fumarate on the purine salvage pathway.

AlphaFold DB , UniProt , Accession G4VQX9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene ASL, Length 480 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
1M68.4Low88.4Confident175 Ų175102.9 Ų102.986%0.86248%0.478SS*.  0128.50-112.4170.2-66.700106.7E5 E6M1-E5 WeakPolarHBondContact CA-OE2 3.25Å; M1-E5 HydrophobicContact CB-CB 4.49Å; M1-E5 HydrophobicContact CG-CB 3.9Å; M1-E5 WeakPolarHBondContact CG-OE2 3.36Å; M1-E6 HydrophobicContact SD-CG 3.94Å
2D81.3Confident89Confident88 Ų8898.7 Ų98.747%0.47147%0.465SS..  trans-61.3145.7167.5-174.3-14000108F4 E5D2-F4 PolarHBondContact O-N 3.26Å; D2-F4 VanDerWaalsContact O-N 3.08Å; D2-F4 VanDerWaalsContact OD1-CD2 3.25Å; D2-F4 WeakPolarHBondContact OD1-CD2 3.46Å; D2-F4 PolarHBondContact OD1-N 3.05Å; D2-E5 HydrophobicContact CB-CG 4.04Å; D2-E5 PolarHBondContact N-OE2 2.81Å; D2-E5 WeakPolarHBondContact O-CB 3.47Å; D2-E5 PolarHBondContact O-N 2.81Å
3E79.3Confident89.1Confident101 Ų101101.4 Ų101.447%0.47247%0.474SS..THydrogen-bonded Turntrans-60.2-18.9175.157.9154.8-136.800112.5E5 R8E3-E5 VanDerWaalsContact C-N 3.33Å; E3-R8 PolarHBondContact O-NE 3.27Å; E3-R8 PolarHBondContact O-NH2 3.4Å; E3-R8 IonicContact OE1-CZ 2.62Å; E3-R8 IonicContact OE1-NH1 3.93Å; E3-R8 PolarHBondContact OE1-NH1 2.9Å; E3-R8 IonicContact OE1-NH2 2.89Å; E3-R8 PolarHBondContact OE1-NH2 3.26Å; E3-R8 IonicContact OE2-CZ 3.51Å; E3-R8 IonicContact OE2-NH1 3.42Å; E3-R8 PolarHBondContact OE2-NH1 2.73Å; E3-R8 VanDerWaalsContact OE2-NH1 3.08Å
4F86.8Confident89.4Confident155 Ų155102.2 Ų102.268%0.6847%0.471SS*.THydrogen-bonded Turntrans-80.5-7.4172.3-61.8-77000114.4D2D2-F4 PolarHBondContact O-N 3.26Å; D2-F4 VanDerWaalsContact O-N 3.08Å; D2-F4 VanDerWaalsContact OD1-CD2 3.25Å; D2-F4 WeakPolarHBondContact OD1-CD2 3.46Å; D2-F4 PolarHBondContact OD1-N 3.05Å
5E93.6Very high89.9Confident133 Ų13399.8 Ų99.862%0.62146%0.456SS*.THydrogen-bonded Turntrans-88-18.9176.5-69.4174.4152.600112.9M1 D2 E3M1-E5 WeakPolarHBondContact CA-OE2 3.25Å; M1-E5 HydrophobicContact CB-CB 4.49Å; M1-E5 HydrophobicContact CG-CB 3.9Å; M1-E5 WeakPolarHBondContact CG-OE2 3.36Å; D2-E5 HydrophobicContact CB-CG 4.04Å; D2-E5 PolarHBondContact N-OE2 2.81Å; D2-E5 WeakPolarHBondContact O-CB 3.47Å; D2-E5 PolarHBondContact O-N 2.81Å; E3-E5 VanDerWaalsContact C-N 3.33Å
6E91.9Very high90.3Very high118 Ų11894.6 Ų94.655%0.55144%0.436SS*.SBendtrans-104145.2-178.8-67.7-175.2175.500112.7M1 R8M1-E6 HydrophobicContact SD-CG 3.94Å; E6-R8 PolarHBondContact O-N 3.37Å
7Y93.5Very high90.7Very high194 Ų19490.8 Ų90.876%0.76142%0.423SS*.  trans-61.2127.5171.6169.6-102.7000110.2P10Y7-P10 WeakPolarHBondContact OH-CD 3.32Å
8R91.5Very high91Very high73 Ų7397.4 Ų97.428%0.27544%0.444SS..  trans-114.4129.7175.3-69.6-173.6-97.5176-0.9109.9E3 E6 P10 K13E3-R8 PolarHBondContact O-NE 3.27Å; E3-R8 PolarHBondContact O-NH2 3.4Å; E3-R8 IonicContact OE1-CZ 2.62Å; E3-R8 IonicContact OE1-NH1 3.93Å; E3-R8 PolarHBondContact OE1-NH1 2.9Å; E3-R8 IonicContact OE1-NH2 2.89Å; E3-R8 PolarHBondContact OE1-NH2 3.26Å; E3-R8 IonicContact OE2-CZ 3.51Å; E3-R8 IonicContact OE2-NH1 3.42Å; E3-R8 PolarHBondContact OE2-NH1 2.73Å; E3-R8 VanDerWaalsContact OE2-NH1 3.08Å; E6-R8 PolarHBondContact O-N 3.37Å; R8-P10 WeakPolarHBondContact O-CD 3.4Å; R8-P10 VanDerWaalsContact O-N 3.16Å; R8-K13 HydrophobicContact CB-CG 4.26Å
9N94.1Very high91.3Very high35 Ų3598.7 Ų98.719%0.18745%0.45CS..  trans-59.9118.3175.6-172-24.4000109.9L11 T12 K13 E338N9-L11 PolarHBondContact O-N 3.08Å; N9-L11 VanDerWaalsContact OD1-CB 3.3Å; N9-L11 WeakPolarHBondContact OD1-CB 3.37Å; N9-L11 PolarHBondContact OD1-N 2.84Å; N9-T12 HydrophobicContact CB-CG2 4.49Å; N9-T12 PolarHBondContact O-N 3.28Å; N9-T12 VanDerWaalsContact O-N 3.12Å; N9-T12 PolarHBondContact O-OG1 3.04Å; N9-K13 PolarHBondContact O-N 3.47Å; N9-E338 PolarHBondContact ND2-OE1 3.48Å
10P96Very high91.7Very high51 Ų5193.8 Ų93.833%0.33143%0.428SS..Hα-helixtrans-65.6-23.3-176.927.9-36.3000112.6Y7 R8 T12 K13 R14 Y15Y7-P10 WeakPolarHBondContact OH-CD 3.32Å; R8-P10 WeakPolarHBondContact O-CD 3.4Å; R8-P10 VanDerWaalsContact O-N 3.16Å; P10-T12 VanDerWaalsContact C-N 3.25Å; P10-T12 PolarHBondContact O-N 3.4Å; P10-K13 PolarHBondContact O-N 2.99Å; P10-R14 WeakPolarHBondContact O-CB 3.48Å; P10-R14 PolarHBondContact O-N 3.44Å; P10-Y15 HydrophobicContact CB-CD2 4.2Å; P10-Y15 HydrophobicContact CB-CE2 3.76Å; P10-Y15 HydrophobicContact CG-CE2 4.34Å; P10-Y15 WeakPolarHBondContact O-CD2 3.47Å; P10-Y15 PolarHBondContact O-N 3.37Å
11L96.5Very high92Very high9 Ų991.1 Ų91.15%0.04742%0.419CS..Iπ-helixtrans-58.7-38.2174.1-69.2171.7000111.8N9 Y15 A16 L302 Y305 E338 L341 A342N9-L11 PolarHBondContact O-N 3.08Å; N9-L11 VanDerWaalsContact OD1-CB 3.3Å; N9-L11 WeakPolarHBondContact OD1-CB 3.37Å; N9-L11 PolarHBondContact OD1-N 2.84Å; L11-Y15 HydrophobicContact CD2-CD2 4.29Å; L11-A16 WeakPolarHBondContact O-CB 3.44Å; L11-A16 PolarHBondContact O-N 2.94Å; L11-L302 HydrophobicContact CD2-CD2 4.15Å; L11-Y305 HydrophobicContact CD1-CE1 4.13Å; L11-E338 HydrophobicContact CD1-CB 3.85Å; L11-E338 HydrophobicContact CD1-CG 3.89Å; L11-L341 HydrophobicContact CB-CB 4.07Å; L11-L341 HydrophobicContact CB-CD1 4.32Å; L11-L341 HydrophobicContact CD1-CB 4.41Å; L11-A342 HydrophobicContact CD2-CB 4.07Å
12T94.8Very high93.4Very high52 Ų5286.1 Ų86.132%0.31940%0.4SS..Iπ-helixtrans-85.6-27.5-176.463.60000113.7N9 P10 L341N9-T12 HydrophobicContact CB-CG2 4.49Å; N9-T12 PolarHBondContact O-N 3.28Å; N9-T12 VanDerWaalsContact O-N 3.12Å; N9-T12 PolarHBondContact O-OG1 3.04Å; P10-T12 VanDerWaalsContact C-N 3.25Å; P10-T12 PolarHBondContact O-N 3.4Å; T12-L341 HydrophobicContact CG2-CD1 3.92Å
13K91.2Very high94.2Very high134 Ų13482.5 Ų82.558%0.58338%0.38SS*.Iπ-helixtrans-98.6-27.5-175.4-68.1-67.5177.5173.10114.2R8 N9 P10R8-K13 HydrophobicContact CB-CG 4.26Å; N9-K13 PolarHBondContact O-N 3.47Å; P10-K13 PolarHBondContact O-N 2.99Å
14R93.3Very high95.1Very high113 Ų11379.4 Ų79.443%0.42637%0.365SS..Iπ-helixtrans-123-28.1-167.8-167.2174.2180129.50.5114.7P10P10-R14 WeakPolarHBondContact O-CB 3.48Å; P10-R14 PolarHBondContact O-N 3.44Å
15Y96Very high95.6Very high66 Ų6673 Ų7326%0.25934%0.344SS..Iπ-helixtrans-118.5-53.9-164.3-57.7-49000114.7P10 L11 R298 L302P10-Y15 HydrophobicContact CB-CD2 4.2Å; P10-Y15 HydrophobicContact CB-CE2 3.76Å; P10-Y15 HydrophobicContact CG-CE2 4.34Å; P10-Y15 WeakPolarHBondContact O-CD2 3.47Å; P10-Y15 PolarHBondContact O-N 3.37Å; L11-Y15 HydrophobicContact CD2-CD2 4.29Å; Y15-R298 HydrophobicContact CE1-CG 4.39Å; Y15-L302 HydrophobicContact CD1-CD1 4.4Å; Y15-L302 HydrophobicContact CD2-CD2 3.98Å; Y15-L302 HydrophobicContact CE2-CD2 4.14Å; Y15-L302 HydrophobicContact CG-CD1 4.2Å; Y15-L302 HydrophobicContact CG-CD2 4.48Å
16A96.8Very high95.7Very high16 Ų1672.9 Ų72.913%0.13234%0.343CS..SBendtrans-75.8151.8-175.900000111.8L11 V21 L341L11-A16 WeakPolarHBondContact O-CB 3.44Å; L11-A16 PolarHBondContact O-N 2.94Å; A16-V21 HydrophobicContact CB-CG2 3.97Å; A16-L341 HydrophobicContact CB-CB 3.92Å; A16-L341 HydrophobicContact CB-CD2 3.39Å; A16-L341 HydrophobicContact CB-CG 4.26Å
17S96.7Very high96Very high31 Ų3173.1 Ų73.122%0.21734%0.342CS..  trans-65.8150.1174.564.10000111.8E19 M20 V21 K128 D344S17-E19 PolarHBondContact O-N 3.36Å; S17-M20 PolarHBondContact O-N 2.96Å; S17-M20 VanDerWaalsContact O-N 3.13Å; S17-V21 WeakPolarHBondContact O-CG2 3.45Å; S17-V21 PolarHBondContact O-N 3.42Å; S17-K128 PolarHBondContact OG-NZ 3.36Å; S17-D344 WeakPolarHBondContact CB-OD2 3.5Å; S17-D344 PolarHBondContact N-OD2 3.28Å; S17-D344 PolarHBondContact OG-OD1 3.35Å; S17-D344 PolarHBondContact OG-OD2 3.33Å
18R96.2Very high96.2Very high210 Ų21068.3 Ų68.379%0.79232%0.323SS*.Hα-helixtrans-54.9-37.2176.3-177.3175.4178.7171.30.5112.2V21 C22R18-V21 PolarHBondContact O-N 3.26Å; R18-C22 VanDerWaalsContact O-CB 3.24Å; R18-C22 WeakPolarHBondContact O-CB 3.43Å; R18-C22 PolarHBondContact O-N 3.25Å; R18-C22 PolarHBondContact O-SG 3.35Å
19E97.2Very high96.5Very high121 Ų12166.4 Ų66.457%0.56532%0.316SS*.Hα-helixtrans-58.8-50.4177.7-171.9179.9-168.400111.5S17 C22 N23 I124S17-E19 PolarHBondContact O-N 3.36Å; E19-C22 PolarHBondContact O-N 3.34Å; E19-N23 PolarHBondContact O-N 3.02Å; E19-I124 HydrophobicContact CG-CD1 3.85Å; E19-I124 HydrophobicContact CG-CG1 3.98Å; E19-I124 HydrophobicContact CG-CG2 4.39Å
20M98.4Very high96.7Very high0 Ų064.9 Ų64.90%031%0.309CS..Hα-helixtrans-66.4-41178.1-169.261.679.300112.3S17 C22 N23 F24 I124 L125 F340 L341 D344S17-M20 PolarHBondContact O-N 2.96Å; S17-M20 VanDerWaalsContact O-N 3.13Å; M20-C22 PolarHBondContact O-N 3.48Å; M20-N23 WeakPolarHBondContact O-CB 3.48Å; M20-N23 PolarHBondContact O-N 3.13Å; M20-F24 HydrophobicContact CG-CD2 4.45Å; M20-F24 PolarHBondContact O-N 3.19Å; M20-F24 HydrophobicContact SD-CD2 4.03Å; M20-F24 HydrophobicContact SD-CE2 3.68Å; M20-I124 HydrophobicContact CE-CB 3.74Å; M20-I124 HydrophobicContact CE-CD1 4.25Å; M20-I124 HydrophobicContact CE-CG2 3.63Å; M20-I124 HydrophobicContact SD-CD1 4.08Å; M20-L125 HydrophobicContact CE-CD1 4.45Å; M20-L125 HydrophobicContact CE-CD2 3.66Å; M20-L125 HydrophobicContact CE-CG 3.72Å; M20-F340 HydrophobicContact CE-CB 4.33Å; M20-F340 HydrophobicContact CE-CD1 4.19Å; M20-F340 HydrophobicContact CG-CB 4.47Å; M20-F340 HydrophobicContact SD-CB 3.88Å; M20-F340 HydrophobicContact SD-CD1 4.33Å; M20-L341 HydrophobicContact CB-CD2 4.23Å; M20-L341 HydrophobicContact CG-CD2 3.79Å; M20-L341 HydrophobicContact CG-CG 4.4Å; M20-D344 HydrophobicContact CB-CB 4.11Å; M20-D344 HydrophobicContact CE-CB 4.05Å; M20-D344 HydrophobicContact CG-CB 3.95Å
21V98.1Very high96.8Very high39 Ų3963.8 Ų63.824%0.23630%0.299CS..Hα-helixtrans-61.4-45176.2175.40000111.1A16 S17 R18 N23 F24 G25 L341A16-V21 HydrophobicContact CB-CG2 3.97Å; S17-V21 WeakPolarHBondContact O-CG2 3.45Å; S17-V21 PolarHBondContact O-N 3.42Å; R18-V21 PolarHBondContact O-N 3.26Å; V21-N23 VanDerWaalsContact C-N 3.34Å; V21-N23 PolarHBondContact O-N 3.18Å; V21-F24 CarbonylContact O-C 3.59Å; V21-F24 PolarHBondContact O-N 2.57Å; V21-G25 PolarHBondContact O-N 3.1Å; V21-G25 VanDerWaalsContact O-N 3.11Å; V21-L341 HydrophobicContact CB-CD2 4.41Å; V21-L341 HydrophobicContact CG2-CD2 3.68Å
22C98.1Very high96.9Very high70 Ų7063.7 Ų63.747%0.47330%0.299SS..Hα-helixtrans-67.2-34.2177.9-75.60000112.3R18 E19 M20 F24 G25 R28R18-C22 VanDerWaalsContact O-CB 3.24Å; R18-C22 WeakPolarHBondContact O-CB 3.43Å; R18-C22 PolarHBondContact O-N 3.25Å; R18-C22 PolarHBondContact O-SG 3.35Å; E19-C22 PolarHBondContact O-N 3.34Å; M20-C22 PolarHBondContact O-N 3.48Å; C22-F24 VanDerWaalsContact C-N 3.31Å; C22-F24 PolarHBondContact O-N 3.29Å; C22-G25 PolarHBondContact O-N 3.28Å; C22-G25 VanDerWaalsContact O-N 3.13Å; C22-R28 VanDerWaalsContact O-CB 3.32Å; C22-R28 WeakPolarHBondContact O-CB 3.45Å
23N98.6Very high97.1Very high11 Ų1161.5 Ų61.56%0.05929%0.285CS..Hα-helixtrans-59.9-41.6175.9-177.556.6000111.9E19 M20 V21 G25 R28 M117 D120 I124E19-N23 PolarHBondContact O-N 3.02Å; M20-N23 WeakPolarHBondContact O-CB 3.48Å; M20-N23 PolarHBondContact O-N 3.13Å; V21-N23 VanDerWaalsContact C-N 3.34Å; V21-N23 PolarHBondContact O-N 3.18Å; N23-G25 VanDerWaalsContact C-N 3.33Å; N23-R28 WeakPolarHBondContact O-CG 3.06Å; N23-M117 PolarHBondContact ND2-O 2.55Å; N23-M117 WeakPolarHBondContact O-CE 3.15Å; N23-D120 VanDerWaalsContact OD1-CB 3.3Å; N23-D120 WeakPolarHBondContact OD1-CB 3.15Å; N23-I124 HydrophobicContact CB-CD1 3.95Å
24F98.5Very high97.5Very high36 Ų3655.2 Ų55.216%0.15826%0.258CS..THydrogen-bonded Turntrans-90.810.1175.9-69.2-77.1000114.5M20 V21 C22 M117 P337 F340M20-F24 HydrophobicContact CG-CD2 4.45Å; M20-F24 PolarHBondContact O-N 3.19Å; M20-F24 HydrophobicContact SD-CD2 4.03Å; M20-F24 HydrophobicContact SD-CE2 3.68Å; V21-F24 CarbonylContact O-C 3.59Å; V21-F24 PolarHBondContact O-N 2.57Å; C22-F24 VanDerWaalsContact C-N 3.31Å; C22-F24 PolarHBondContact O-N 3.29Å; F24-M117 HydrophobicContact CB-CE 4.38Å; F24-M117 HydrophobicContact CD1-CE 3.82Å; F24-M117 HydrophobicContact CE1-CB 4.29Å; F24-M117 HydrophobicContact CG-CE 4.41Å; F24-P337 HydrophobicContact CB-CB 3.99Å; F24-P337 HydrophobicContact CB-CG 4.43Å; F24-P337 HydrophobicContact CD1-CB 3.95Å; F24-P337 HydrophobicContact CD1-CG 3.85Å; F24-P337 HydrophobicContact CE1-CG 4.48Å; F24-P337 HydrophobicContact CG-CB 3.91Å; F24-P337 HydrophobicContact CG-CG 4.29Å; F24-F340 HydrophobicContact CD2-CB 4.33Å; F24-F340 HydrophobicContact CE2-CB 3.42Å; F24-F340 VanDerWaalsContact CE2-CB 3.42Å; F24-F340 HydrophobicContact CE2-CD1 4.33Å; F24-F340 HydrophobicContact CE2-CD2 4.11Å; F24-F340 AromaticContact CE2-CG 3.71Å; F24-F340 HydrophobicContact CE2-CG 3.71Å; F24-F340 HydrophobicContact CZ-CB 3.89Å; F24-F340 HydrophobicContact CZ-CD1 4.4Å; F24-F340 AromaticContact CZ-CD2 3.65Å; F24-F340 HydrophobicContact CZ-CD2 3.65Å; F24-F340 HydrophobicContact CZ-CE2 4.27Å; F24-F340 AromaticContact CZ-CG 3.72Å; F24-F340 HydrophobicContact CZ-CG 3.72Å
25G97.2Very high97.8Very high22 Ų2251.2 Ų51.223%0.22724%0.244CC..  trans-72.9147.7-179.400000113.1V21 C22 N23 K27 R28 K29V21-G25 PolarHBondContact O-N 3.1Å; V21-G25 VanDerWaalsContact O-N 3.11Å; C22-G25 PolarHBondContact O-N 3.28Å; C22-G25 VanDerWaalsContact O-N 3.13Å; N23-G25 VanDerWaalsContact C-N 3.33Å; G25-K27 VanDerWaalsContact C-N 3.3Å; G25-K27 PolarHBondContact O-N 3.3Å; G25-R28 WeakPolarHBondContact O-CB 3.33Å; G25-R28 PolarHBondContact O-N 2.97Å; G25-K29 PolarHBondContact O-N 3.31Å; G25-K29 VanDerWaalsContact O-N 3.09Å
26E96.2Very high97.9Very high129 Ų12948 Ų4860%0.60323%0.231SC*.Hα-helixtrans-56.3-43.3179-170.1-176.917300112.3R28 K29 V30 F68E26-R28 VanDerWaalsContact C-N 3.32Å; E26-R28 PolarHBondContact O-N 2.64Å; E26-K29 WeakPolarHBondContact O-CB 3.35Å; E26-K29 PolarHBondContact O-N 3.45Å; E26-V30 WeakPolarHBondContact O-CG2 3.31Å; E26-V30 PolarHBondContact O-N 2.8Å; E26-F68 HydrophobicContact CG-CE1 4.02Å
27K97.4Very high98Very high123 Ų12347.4 Ų47.454%0.53523%0.226SC..Hα-helixtrans-59.5-41.2176.4-175.8174.3-178.6174.70112.7G25 I31 F68G25-K27 VanDerWaalsContact C-N 3.3Å; G25-K27 PolarHBondContact O-N 3.3Å; K27-I31 HydrophobicContact CD-CD1 4.46Å; K27-I31 HydrophobicContact CG-CD1 3.82Å; K27-I31 HydrophobicContact CG-CG1 4.43Å; K27-I31 WeakPolarHBondContact O-CB 3.49Å; K27-I31 VanDerWaalsContact O-CG1 3.26Å; K27-I31 WeakPolarHBondContact O-CG1 3.29Å; K27-I31 PolarHBondContact O-N 3.11Å; K27-F68 HydrophobicContact CB-CZ 4Å; K27-F68 HydrophobicContact CG-CZ 4.24Å
28R97.9Very high98.1Very high93 Ų9346 Ų4635%0.35122%0.216SC..Hα-helixtrans-62.9-46.3176.8175.759.2172.6174.40110.3C22 N23 G25 E26 V30 I31 L32 D120C22-R28 VanDerWaalsContact O-CB 3.32Å; C22-R28 WeakPolarHBondContact O-CB 3.45Å; N23-R28 WeakPolarHBondContact O-CG 3.06Å; G25-R28 WeakPolarHBondContact O-CB 3.33Å; G25-R28 PolarHBondContact O-N 2.97Å; E26-R28 VanDerWaalsContact C-N 3.32Å; E26-R28 PolarHBondContact O-N 2.64Å; R28-V30 PolarHBondContact O-N 2.88Å; R28-I31 PolarHBondContact O-N 3.15Å; R28-L32 HydrophobicContact CG-CD1 4.24Å; R28-L32 WeakPolarHBondContact O-CG 3.44Å; R28-L32 PolarHBondContact O-N 3.27Å; R28-D120 IonicContact CZ-OD2 2.96Å; R28-D120 IonicContact NH2-OD2 2.67Å; R28-D120 PolarHBondContact NH2-OD2 2.92Å
29K98.2Very high98.2Very high33 Ų3338.2 Ų38.214%0.14319%0.186CC..Hα-helixtrans-57-49.8177.9-176.5177.4179.5176.70112.2G25 E26 L32 W33 M117G25-K29 PolarHBondContact O-N 3.31Å; G25-K29 VanDerWaalsContact O-N 3.09Å; E26-K29 WeakPolarHBondContact O-CB 3.35Å; E26-K29 PolarHBondContact O-N 3.45Å; K29-L32 WeakPolarHBondContact O-CB 3.08Å; K29-L32 PolarHBondContact O-N 3.09Å; K29-W33 HydrophobicContact CD-CZ2 4.48Å; K29-W33 VanDerWaalsContact CE-CZ2 3.42Å; K29-W33 PolarHBondContact O-N 3.18Å; K29-M117 HydrophobicContact CB-CE 4.38Å; K29-M117 HydrophobicContact CB-SD 4.12Å; K29-M117 HydrophobicContact CG-SD 4.38Å
30V98.3Very high98.3Very high4 Ų432.5 Ų32.52%0.02416%0.159CC..Hα-helixtrans-69.2-36.9-178.2-179.60000112.2E26 R28 L32 W33 R34 V66 F68 H85E26-V30 WeakPolarHBondContact O-CG2 3.31Å; E26-V30 PolarHBondContact O-N 2.8Å; R28-V30 PolarHBondContact O-N 2.88Å; V30-L32 VanDerWaalsContact C-N 3.3Å; V30-L32 PolarHBondContact O-N 3.39Å; V30-W33 WeakPolarHBondContact O-CB 3.02Å; V30-W33 PolarHBondContact O-N 3.42Å; V30-R34 PolarHBondContact O-N 3.2Å; V30-V66 HydrophobicContact CB-CG1 4.45Å; V30-V66 HydrophobicContact CG1-CB 4.48Å; V30-V66 HydrophobicContact CG1-CG1 3.68Å; V30-V66 HydrophobicContact CG1-CG2 3.91Å; V30-F68 HydrophobicContact CG2-CE1 4.08Å; V30-H85 WeakPolarHBondContact CG1-ND1 3.24Å; V30-H85 VanDerWaalsContact CG2-CE1 3.41Å; V30-H85 WeakPolarHBondContact CG2-CE1 3.38Å
31I98.5Very high98.3Very high27 Ų2732.5 Ų32.514%0.13816%0.16CC..Hα-helixtrans-61.9-41.2172.7-72.5172.9000110.6K27 R28 W33 R34 Q35 R63 D64 V66K27-I31 HydrophobicContact CD-CD1 4.46Å; K27-I31 HydrophobicContact CG-CD1 3.82Å; K27-I31 HydrophobicContact CG-CG1 4.43Å; K27-I31 WeakPolarHBondContact O-CB 3.49Å; K27-I31 VanDerWaalsContact O-CG1 3.26Å; K27-I31 WeakPolarHBondContact O-CG1 3.29Å; K27-I31 PolarHBondContact O-N 3.11Å; R28-I31 PolarHBondContact O-N 3.15Å; I31-W33 VanDerWaalsContact C-N 3.34Å; I31-W33 PolarHBondContact O-N 3.36Å; I31-R34 PolarHBondContact O-N 2.93Å; I31-Q35 WeakPolarHBondContact O-CB 3.41Å; I31-Q35 PolarHBondContact O-N 3.09Å; I31-R63 HydrophobicContact CG2-CG 4.45Å; I31-D64 HydrophobicContact CD1-CB 4.41Å; I31-D64 WeakPolarHBondContact CG2-OD1 3.41Å; I31-V66 HydrophobicContact CG1-CG2 4.49Å
32L98.7Very high98.3Very high8 Ų832.4 Ų32.44%0.04216%0.157CC..Hα-helixtrans-63.7-38.5174.5-73.6173.5000112R28 K29 V30 Q35 L36 A113 I116 M117R28-L32 HydrophobicContact CG-CD1 4.24Å; R28-L32 WeakPolarHBondContact O-CG 3.44Å; R28-L32 PolarHBondContact O-N 3.27Å; K29-L32 WeakPolarHBondContact O-CB 3.08Å; K29-L32 PolarHBondContact O-N 3.09Å; V30-L32 VanDerWaalsContact C-N 3.3Å; V30-L32 PolarHBondContact O-N 3.39Å; L32-Q35 PolarHBondContact O-N 3.05Å; L32-L36 WeakPolarHBondContact O-CB 3.3Å; L32-L36 WeakPolarHBondContact O-CD1 3.46Å; L32-L36 VanDerWaalsContact O-CG 3.24Å; L32-L36 WeakPolarHBondContact O-CG 3.36Å; L32-L36 PolarHBondContact O-N 3.26Å; L32-A113 HydrophobicContact CB-CB 3.89Å; L32-A113 HydrophobicContact CD1-CB 4.38Å; L32-I116 HydrophobicContact CD1-CB 4.3Å; L32-I116 HydrophobicContact CD1-CG2 3.94Å; L32-I116 HydrophobicContact CD2-CD1 4.28Å; L32-I116 HydrophobicContact CD2-CG2 3.89Å; L32-M117 HydrophobicContact CD1-CG 3.56Å; L32-M117 HydrophobicContact CD1-SD 4.08Å
33W98.8Very high98.4Very high6 Ų629 Ų292%0.02313%0.134CC..Hα-helixtrans-59.5-47.8174.1-70.48.8000111.7K29 V30 I31 Q35 L36 W37 D81 V82 H85 V109K29-W33 HydrophobicContact CD-CZ2 4.48Å; K29-W33 VanDerWaalsContact CE-CZ2 3.42Å; K29-W33 PolarHBondContact O-N 3.18Å; V30-W33 WeakPolarHBondContact O-CB 3.02Å; V30-W33 PolarHBondContact O-N 3.42Å; I31-W33 VanDerWaalsContact C-N 3.34Å; I31-W33 PolarHBondContact O-N 3.36Å; W33-Q35 VanDerWaalsContact C-N 3.34Å; W33-Q35 PolarHBondContact O-N 2.88Å; W33-L36 PolarHBondContact O-N 3.18Å; W33-W37 HydrophobicContact CB-CH2 4.29Å; W33-W37 HydrophobicContact CB-CZ3 4.11Å; W33-W37 HydrophobicContact CE3-CH2 4.32Å; W33-W37 PolarHBondContact O-N 3.18Å; W33-D81 HydrophobicContact CH2-CB 4.44Å; W33-V82 HydrophobicContact CH2-CG2 3.68Å; W33-V82 HydrophobicContact CZ2-CG2 4.25Å; W33-V82 HydrophobicContact CZ3-CB 4.4Å; W33-V82 HydrophobicContact CZ3-CG2 3.88Å; W33-H85 HydrophobicContact CE3-CB 3.98Å; W33-H85 HydrophobicContact CZ3-CB 4.07Å; W33-H85 AromaticContact CZ3-CD2 3.59Å; W33-V109 HydrophobicContact CB-CB 3.96Å; W33-V109 HydrophobicContact CB-CG1 4.25Å; W33-V109 HydrophobicContact CB-CG2 4.48Å; W33-V109 HydrophobicContact CD2-CB 4.09Å; W33-V109 HydrophobicContact CD2-CG2 3.87Å; W33-V109 HydrophobicContact CE3-CG2 4.21Å; W33-V109 HydrophobicContact CG-CB 3.69Å; W33-V109 HydrophobicContact CG-CG2 4.02Å; W33-V109 PolarHBondContact NE1-O 2.85Å
34R98.7Very high98.4Very high1 Ų128.6 Ų28.60%0.00413%0.131CC..Hα-helixtrans-62.4-41.5175.6-68.3-177.1175.5-1614.2112V30 I31 L36 W37 I38 Q62 R63 S65 F89V30-R34 PolarHBondContact O-N 3.2Å; I31-R34 PolarHBondContact O-N 2.93Å; R34-L36 VanDerWaalsContact C-N 3.33Å; R34-L36 PolarHBondContact O-N 2.97Å; R34-W37 HydrophobicContact CG-CE3 4.18Å; R34-W37 HydrophobicContact CG-CZ3 4.22Å; R34-W37 PolarHBondContact O-N 2.61Å; R34-I38 WeakPolarHBondContact O-CD1 3.11Å; R34-I38 VanDerWaalsContact O-CG1 3.27Å; R34-I38 WeakPolarHBondContact O-CG1 3.41Å; R34-I38 PolarHBondContact O-N 3.44Å; R34-Q62 PolarHBondContact NH1-O 3Å; R34-R63 HydrophobicContact CB-CG 4.11Å; R34-R63 WeakPolarHBondContact CD-O 3.48Å; R34-S65 PolarHBondContact NH1-O 2.7Å; R34-F89 HydrophobicContact CB-CD1 4.49Å; R34-F89 HydrophobicContact CB-CE1 3.97Å; R34-F89 HydrophobicContact CB-CZ 3.98Å; R34-F89 HydrophobicContact CG-CD1 3.9Å; R34-F89 HydrophobicContact CG-CD2 4.17Å; R34-F89 HydrophobicContact CG-CE1 3.85Å; R34-F89 HydrophobicContact CG-CE2 4.13Å; R34-F89 HydrophobicContact CG-CG 4.05Å; R34-F89 HydrophobicContact CG-CZ 3.97Å; R34-F89 VanDerWaalsContact CZ-CD2 3.48Å
35Q98.8Very high98.3Very high29 Ų2929.8 Ų29.814%0.13614%0.137CC..Hα-helixtrans-62.8-38.7176.1-171.158.475.600112.6I31 L32 W33 I38 W39I31-Q35 WeakPolarHBondContact O-CB 3.41Å; I31-Q35 PolarHBondContact O-N 3.09Å; L32-Q35 PolarHBondContact O-N 3.05Å; W33-Q35 VanDerWaalsContact C-N 3.34Å; W33-Q35 PolarHBondContact O-N 2.88Å; Q35-I38 PolarHBondContact O-N 3.5Å; Q35-W39 HydrophobicContact CG-CD2 4.09Å; Q35-W39 HydrophobicContact CG-CE3 4.37Å; Q35-W39 HydrophobicContact CG-CH2 3.82Å; Q35-W39 HydrophobicContact CG-CZ2 3.49Å; Q35-W39 VanDerWaalsContact CG-CZ2 3.49Å; Q35-W39 HydrophobicContact CG-CZ3 4.24Å; Q35-W39 PolarHBondContact O-N 3.42Å
36L98.9Very high98.4Very high0 Ų034.8 Ų34.80%015%0.154CC..Hα-helixtrans-66.2-42.2175.3-74.7161.2000111.5L32 W33 R34 W39 L40 F108 V109 N112 A113 I116 F190L32-L36 WeakPolarHBondContact O-CB 3.3Å; L32-L36 WeakPolarHBondContact O-CD1 3.46Å; L32-L36 VanDerWaalsContact O-CG 3.24Å; L32-L36 WeakPolarHBondContact O-CG 3.36Å; L32-L36 PolarHBondContact O-N 3.26Å; W33-L36 PolarHBondContact O-N 3.18Å; R34-L36 VanDerWaalsContact C-N 3.33Å; R34-L36 PolarHBondContact O-N 2.97Å; L36-W39 HydrophobicContact CD2-CE3 3.96Å; L36-W39 HydrophobicContact CD2-CZ3 4.12Å; L36-W39 PolarHBondContact O-N 3.47Å; L36-L40 WeakPolarHBondContact O-CB 3.35Å; L36-L40 PolarHBondContact O-N 2.96Å; L36-F108 HydrophobicContact CB-CE1 3.91Å; L36-F108 HydrophobicContact CB-CZ 4.12Å; L36-F108 HydrophobicContact CD2-CZ 4.46Å; L36-F108 WeakPolarHBondContact O-CE1 3.33Å; L36-F108 WeakPolarHBondContact O-CZ 3.35Å; L36-V109 HydrophobicContact CB-CG1 4.13Å; L36-N112 HydrophobicContact CD1-CB 3.82Å; L36-N112 HydrophobicContact CD2-CB 3.85Å; L36-A113 HydrophobicContact CD1-CB 4.03Å; L36-I116 HydrophobicContact CD2-CD1 4.38Å; L36-F190 HydrophobicContact CD2-CE2 4.27Å; L36-F190 HydrophobicContact CD2-CZ 3.76Å
37W98.8Very high98.5Very high3 Ų329.6 Ų29.61%0.01113%0.13CC..Hα-helixtrans-63.6-39.2172.9-72.1-47.9000112.6W33 R34 L40 A41 M59 V82 H85 V86 F89 I100 H101 V109W33-W37 HydrophobicContact CB-CH2 4.29Å; W33-W37 HydrophobicContact CB-CZ3 4.11Å; W33-W37 HydrophobicContact CE3-CH2 4.32Å; W33-W37 PolarHBondContact O-N 3.18Å; R34-W37 HydrophobicContact CG-CE3 4.18Å; R34-W37 HydrophobicContact CG-CZ3 4.22Å; R34-W37 PolarHBondContact O-N 2.61Å; W37-L40 WeakPolarHBondContact O-CB 3.36Å; W37-L40 PolarHBondContact O-N 3.39Å; W37-A41 PolarHBondContact O-N 3.48Å; W37-M59 HydrophobicContact CB-CE 3.71Å; W37-V82 HydrophobicContact CZ2-CG1 3.98Å; W37-H85 HydrophobicContact CH2-CB 4.01Å; W37-H85 HydrophobicContact CZ3-CB 4.48Å; W37-V86 HydrophobicContact CH2-CG2 3.82Å; W37-V86 HydrophobicContact CZ2-CG2 3.35Å; W37-F89 AromaticContact CE3-CD1 3.68Å; W37-F89 HydrophobicContact CE3-CD1 3.68Å; W37-F89 HydrophobicContact CE3-CE1 4.16Å; W37-F89 HydrophobicContact CZ3-CD1 4.2Å; W37-I100 HydrophobicContact CD2-CG2 4.01Å; W37-I100 HydrophobicContact CE3-CG2 4.32Å; W37-I100 HydrophobicContact CG-CG2 4.14Å; W37-H101 AromaticContact CD1-ND1 3.83Å; W37-H101 AromaticContact NE1-CE1 3.96Å; W37-H101 AromaticContact NE1-CG 3.51Å; W37-H101 AromaticContact NE1-ND1 3.01Å; W37-H101 PolarHBondContact NE1-ND1 2.72Å; W37-V109 HydrophobicContact CD2-CG1 3.99Å; W37-V109 VanDerWaalsContact CE2-CG1 3.49Å; W37-V109 HydrophobicContact CG-CG1 4.2Å; W37-V109 HydrophobicContact CZ2-CB 4.47Å; W37-V109 HydrophobicContact CZ2-CG1 3.86Å; W37-V109 HydrophobicContact CZ2-CG2 3.97Å
38I98.8Very high98.4Very high1 Ų126.7 Ų26.71%0.00514%0.136CC..Hα-helixtrans-60.6-49.4174.4-69.5160.8000110.1R34 Q35 L40 A41 E42 M59 K60 R63R34-I38 WeakPolarHBondContact O-CD1 3.11Å; R34-I38 VanDerWaalsContact O-CG1 3.27Å; R34-I38 WeakPolarHBondContact O-CG1 3.41Å; R34-I38 PolarHBondContact O-N 3.44Å; Q35-I38 PolarHBondContact O-N 3.5Å; I38-L40 VanDerWaalsContact C-N 3.28Å; I38-L40 PolarHBondContact O-N 2.91Å; I38-A41 PolarHBondContact O-N 3.18Å; I38-E42 HydrophobicContact CG2-CG 4.38Å; I38-E42 WeakPolarHBondContact O-CB 3.29Å; I38-E42 WeakPolarHBondContact O-CG 3.31Å; I38-E42 PolarHBondContact O-N 2.9Å; I38-M59 HydrophobicContact CD1-CB 4.35Å; I38-M59 HydrophobicContact CG1-CB 3.67Å; I38-M59 HydrophobicContact CG1-CE 4.07Å; I38-K60 HydrophobicContact CD1-CG 4.29Å; I38-K60 HydrophobicContact CG2-CG 3.82Å; I38-R63 HydrophobicContact CD1-CB 3.9Å; I38-R63 HydrophobicContact CD1-CG 3.84Å
39W98.8Very high98.3Very high46 Ų4625.4 Ų25.417%0.17413%0.133CC..Hα-helixtrans-62-36.8177.6-67.7-26.1000112.3Q35 L36 T43 I116 L221 K224Q35-W39 HydrophobicContact CG-CD2 4.09Å; Q35-W39 HydrophobicContact CG-CE3 4.37Å; Q35-W39 HydrophobicContact CG-CH2 3.82Å; Q35-W39 HydrophobicContact CG-CZ2 3.49Å; Q35-W39 VanDerWaalsContact CG-CZ2 3.49Å; Q35-W39 HydrophobicContact CG-CZ3 4.24Å; Q35-W39 PolarHBondContact O-N 3.42Å; L36-W39 HydrophobicContact CD2-CE3 3.96Å; L36-W39 HydrophobicContact CD2-CZ3 4.12Å; L36-W39 PolarHBondContact O-N 3.47Å; W39-T43 WeakPolarHBondContact O-CB 3.4Å; W39-T43 PolarHBondContact O-N 3.31Å; W39-T43 PolarHBondContact O-OG1 3.16Å; W39-I116 HydrophobicContact CZ3-CD1 4.26Å; W39-L221 HydrophobicContact CB-CD2 3.88Å; W39-K224 HydrophobicContact CB-CD 4.03Å; W39-K224 HydrophobicContact CD2-CB 4.11Å; W39-K224 HydrophobicContact CG-CB 4.13Å; W39-K224 HydrophobicContact CG-CD 4.05Å
40L98.8Very high98.1Very high1 Ų130.4 Ų30.41%0.00516%0.161CC..Hα-helixtrans-60.5-50.9174.6-174.763000111.7L36 W37 I38 T43 Q44 A104 F108 F203 L217 L221L36-L40 WeakPolarHBondContact O-CB 3.35Å; L36-L40 PolarHBondContact O-N 2.96Å; W37-L40 WeakPolarHBondContact O-CB 3.36Å; W37-L40 PolarHBondContact O-N 3.39Å; I38-L40 VanDerWaalsContact C-N 3.28Å; I38-L40 PolarHBondContact O-N 2.91Å; L40-T43 PolarHBondContact O-N 3.19Å; L40-Q44 HydrophobicContact CD1-CG 4.35Å; L40-Q44 WeakPolarHBondContact O-CB 3.34Å; L40-Q44 VanDerWaalsContact O-CG 3.28Å; L40-Q44 WeakPolarHBondContact O-CG 3.3Å; L40-Q44 PolarHBondContact O-N 2.88Å; L40-A104 HydrophobicContact CD2-CB 3.84Å; L40-F108 HydrophobicContact CB-CE1 3.79Å; L40-F108 HydrophobicContact CB-CZ 3.73Å; L40-F108 HydrophobicContact CD1-CE2 4.43Å; L40-F108 HydrophobicContact CD1-CZ 4.17Å; L40-F108 HydrophobicContact CD2-CD1 4.1Å; L40-F108 HydrophobicContact CD2-CE1 3.78Å; L40-F108 HydrophobicContact CD2-CZ 4.23Å; L40-F108 HydrophobicContact CG-CE1 4.26Å; L40-F108 HydrophobicContact CG-CZ 4.27Å; L40-F203 HydrophobicContact CD1-CE1 4.11Å; L40-F203 HydrophobicContact CD1-CZ 4.41Å; L40-L217 HydrophobicContact CD1-CD1 4.16Å; L40-L221 HydrophobicContact CD1-CD1 4.07Å
41A98.7Very high98.1Very high1 Ų130.5 Ų30.51%0.00816%0.161CC..Hα-helixtrans-63.4-43.5179.900000111.9W37 I38 T43 Q44 K45 I51 I56 M59 I99W37-A41 PolarHBondContact O-N 3.48Å; I38-A41 PolarHBondContact O-N 3.18Å; A41-T43 PolarHBondContact O-N 3.46Å; A41-Q44 PolarHBondContact O-N 3.36Å; A41-K45 WeakPolarHBondContact O-CB 3.32Å; A41-K45 PolarHBondContact O-N 3.17Å; A41-I51 HydrophobicContact CB-CD1 4.2Å; A41-I51 HydrophobicContact CB-CG2 4.41Å; A41-I56 HydrophobicContact CB-CG1 4.22Å; A41-M59 HydrophobicContact CB-CE 4.46Å; A41-M59 HydrophobicContact CB-SD 4.13Å; A41-I99 HydrophobicContact CB-CD1 4Å
42E98.7Very high98.1Very high36 Ų3632 Ų3217%0.16817%0.172CC..Hα-helixtrans-57.8-47.6174.3-74.6-178.9153.900112.2I38 K45 E46 I56 K60 K224I38-E42 HydrophobicContact CG2-CG 4.38Å; I38-E42 WeakPolarHBondContact O-CB 3.29Å; I38-E42 WeakPolarHBondContact O-CG 3.31Å; I38-E42 PolarHBondContact O-N 2.9Å; E42-K45 WeakPolarHBondContact O-CB 3.41Å; E42-K45 PolarHBondContact O-N 2.9Å; E42-E46 WeakPolarHBondContact O-CB 3.46Å; E42-E46 PolarHBondContact O-N 2.96Å; E42-I56 HydrophobicContact CG-CD1 4.32Å; E42-I56 HydrophobicContact CG-CG2 3.77Å; E42-K60 WeakPolarHBondContact OE1-CE 3.03Å; E42-K60 IonicContact OE1-NZ 3.14Å; E42-K60 PolarHBondContact OE1-NZ 3.17Å; E42-K224 IonicContact OE2-NZ 3.72Å; E42-K224 PolarHBondContact OE2-NZ 3.31Å
43T98.6Very high98.1Very high0 Ų036.3 Ų36.30%020%0.195CC..Hα-helixtrans-71.9-37.2-177.8-60.90000111.9W39 L40 A41 K45 E46 L47 L217 I220 K224W39-T43 WeakPolarHBondContact O-CB 3.4Å; W39-T43 PolarHBondContact O-N 3.31Å; W39-T43 PolarHBondContact O-OG1 3.16Å; L40-T43 PolarHBondContact O-N 3.19Å; A41-T43 PolarHBondContact O-N 3.46Å; T43-K45 VanDerWaalsContact C-N 3.33Å; T43-K45 PolarHBondContact O-N 2.85Å; T43-E46 PolarHBondContact O-N 3.25Å; T43-L47 HydrophobicContact CG2-CD1 3.96Å; T43-L47 HydrophobicContact CG2-CG 4.46Å; T43-L47 VanDerWaalsContact O-CG 3.28Å; T43-L47 WeakPolarHBondContact O-CG 3.4Å; T43-L47 PolarHBondContact O-N 3.02Å; T43-L217 HydrophobicContact CG2-CD1 3.48Å; T43-L217 VanDerWaalsContact CG2-CD1 3.48Å; T43-I220 HydrophobicContact CG2-CB 3.68Å; T43-I220 HydrophobicContact CG2-CD1 3.91Å; T43-I220 HydrophobicContact CG2-CG1 4.4Å; T43-I220 HydrophobicContact CG2-CG2 3.71Å; T43-I220 VanDerWaalsContact OG1-CG2 3.27Å; T43-I220 WeakPolarHBondContact OG1-CG2 3.49Å; T43-K224 WeakPolarHBondContact OG1-CE 3.27Å
44Q98.5Very high98.1Very high1 Ų141.3 Ų41.31%0.00522%0.219CC..Hα-helixtrans-61.1-43.1173.5-77.9170.7-24.900111.3L40 A41 L47 G48 F49 I51 L102 L206 F207 L217L40-Q44 HydrophobicContact CD1-CG 4.35Å; L40-Q44 WeakPolarHBondContact O-CB 3.34Å; L40-Q44 VanDerWaalsContact O-CG 3.28Å; L40-Q44 WeakPolarHBondContact O-CG 3.3Å; L40-Q44 PolarHBondContact O-N 2.88Å; A41-Q44 PolarHBondContact O-N 3.36Å; Q44-L47 PolarHBondContact O-N 2.81Å; Q44-G48 PolarHBondContact O-N 3.42Å; Q44-F49 HydrophobicContact CB-CB 4.18Å; Q44-F49 VanDerWaalsContact O-CB 3.3Å; Q44-F49 WeakPolarHBondContact O-CB 3.48Å; Q44-F49 PolarHBondContact O-N 3.27Å; Q44-I51 HydrophobicContact CB-CD1 3.66Å; Q44-L102 PolarHBondContact NE2-O 3.22Å; Q44-L206 HydrophobicContact CG-CD2 4.23Å; Q44-L206 VanDerWaalsContact NE2-CD2 3.29Å; Q44-F207 HydrophobicContact CG-CZ 4.31Å; Q44-L217 HydrophobicContact CG-CD1 4.31Å
45K98.2Very high98.1Very high62 Ų6242.6 Ų42.627%0.2722%0.224SC..Hα-helixtrans-59-49.7172.4-176.8-179.5176.3166.30112.1A41 E42 T43 L47 G48 I51 D53 I56A41-K45 WeakPolarHBondContact O-CB 3.32Å; A41-K45 PolarHBondContact O-N 3.17Å; E42-K45 WeakPolarHBondContact O-CB 3.41Å; E42-K45 PolarHBondContact O-N 2.9Å; T43-K45 VanDerWaalsContact C-N 3.33Å; T43-K45 PolarHBondContact O-N 2.85Å; K45-L47 PolarHBondContact O-N 2.82Å; K45-G48 PolarHBondContact O-N 3.14Å; K45-I51 HydrophobicContact CB-CB 4.14Å; K45-I51 VanDerWaalsContact CD-O 3.28Å; K45-I51 WeakPolarHBondContact CD-O 3.45Å; K45-I51 WeakPolarHBondContact CG-O 3.34Å; K45-D53 IonicContact NZ-OD1 3.27Å; K45-D53 PolarHBondContact NZ-OD1 3.25Å; K45-D53 IonicContact NZ-OD2 2.74Å; K45-D53 PolarHBondContact NZ-OD2 2.97Å; K45-I56 HydrophobicContact CB-CD1 4.13Å; K45-I56 HydrophobicContact CD-CD1 3.62Å
46E98Very high98.1Very high127 Ų12741.5 Ų41.559%0.59322%0.219SC*.Hα-helixtrans-57.5-31.7179.5-172.6179.9160.700112.1E42 T43 G48E42-E46 WeakPolarHBondContact O-CB 3.46Å; E42-E46 PolarHBondContact O-N 2.96Å; T43-E46 PolarHBondContact O-N 3.25Å; E46-G48 VanDerWaalsContact C-N 3.29Å; E46-G48 PolarHBondContact O-N 2.88Å
47L98.1Very high98.1Very high19 Ų1945.8 Ų45.810%0.09924%0.242CC..THydrogen-bonded Turntrans-887.5177.2-63.2172000114.1T43 Q44 K45 F207 K213 K216 L217 I220T43-L47 HydrophobicContact CG2-CD1 3.96Å; T43-L47 HydrophobicContact CG2-CG 4.46Å; T43-L47 VanDerWaalsContact O-CG 3.28Å; T43-L47 WeakPolarHBondContact O-CG 3.4Å; T43-L47 PolarHBondContact O-N 3.02Å; Q44-L47 PolarHBondContact O-N 2.81Å; K45-L47 PolarHBondContact O-N 2.82Å; L47-F207 HydrophobicContact CB-CE1 3.9Å; L47-F207 HydrophobicContact CB-CZ 4.07Å; L47-F207 HydrophobicContact CD1-CE2 4.44Å; L47-F207 HydrophobicContact CD1-CZ 3.99Å; L47-K213 WeakPolarHBondContact CD1-O 3.44Å; L47-K213 WeakPolarHBondContact O-CE 3.31Å; L47-K213 PolarHBondContact O-NZ 3.01Å; L47-K216 HydrophobicContact CD2-CB 3.81Å; L47-K216 HydrophobicContact CD2-CD 4.27Å; L47-L217 HydrophobicContact CD1-CB 3.62Å; L47-L217 HydrophobicContact CD1-CD1 4.23Å; L47-I220 HydrophobicContact CD2-CD1 4.33Å
48G95.2Very high98.1Very high63 Ų6347.1 Ų47.165%0.64925%0.249SC*.THydrogen-bonded Turntrans8822171.900000115Q44 K45 E46Q44-G48 PolarHBondContact O-N 3.42Å; K45-G48 PolarHBondContact O-N 3.14Å; E46-G48 VanDerWaalsContact C-N 3.29Å; E46-G48 PolarHBondContact O-N 2.88Å
49F95.5Very high98.1Very high65 Ų6547.1 Ų47.129%0.28525%0.249SC..  trans-81.1146.9166.5-158.1-94.1000110.4Q44 I51 L102 L206 F207Q44-F49 HydrophobicContact CB-CB 4.18Å; Q44-F49 VanDerWaalsContact O-CB 3.3Å; Q44-F49 WeakPolarHBondContact O-CB 3.48Å; Q44-F49 PolarHBondContact O-N 3.27Å; F49-I51 HydrophobicContact CD1-CD1 4.28Å; F49-I51 HydrophobicContact CD1-CG1 3.93Å; F49-I51 PolarHBondContact O-N 3.42Å; F49-L102 HydrophobicContact CD1-CD2 3.91Å; F49-L102 HydrophobicContact CE1-CD2 3.28Å; F49-L102 HydrophobicContact CZ-CD2 3.76Å; F49-L206 HydrophobicContact CD2-CD1 3.87Å; F49-L206 HydrophobicContact CD2-CD2 4.38Å; F49-L206 HydrophobicContact CD2-CG 3.77Å; F49-L206 HydrophobicContact CE1-CD1 4.24Å; F49-L206 HydrophobicContact CE2-CD1 3.24Å; F49-L206 HydrophobicContact CE2-CG 3.63Å; F49-L206 HydrophobicContact CZ-CD1 3.46Å; F49-L206 VanDerWaalsContact CZ-CD1 3.46Å; F49-L206 HydrophobicContact CZ-CG 4.29Å; F49-F207 HydrophobicContact CB-CE1 4.42Å
50D95.6Very high98.1Very high139 Ų13949.3 Ų49.374%0.74326%0.26SS*.  trans-74.887.4-176.7-170.121.2000111.5
51I98.2Very high98.1Very high5 Ų553.3 Ų53.33%0.02629%0.287CS..  trans-130.6127.6174.3-58.4-178.6000107.8A41 Q44 K45 F49 Q55 I56 I99A41-I51 HydrophobicContact CB-CD1 4.2Å; A41-I51 HydrophobicContact CB-CG2 4.41Å; Q44-I51 HydrophobicContact CB-CD1 3.66Å; K45-I51 HydrophobicContact CB-CB 4.14Å; K45-I51 VanDerWaalsContact CD-O 3.28Å; K45-I51 WeakPolarHBondContact CD-O 3.45Å; K45-I51 WeakPolarHBondContact CG-O 3.34Å; F49-I51 HydrophobicContact CD1-CD1 4.28Å; F49-I51 HydrophobicContact CD1-CG1 3.93Å; F49-I51 PolarHBondContact O-N 3.42Å; I51-Q55 HydrophobicContact CG2-CB 4.36Å; I51-I56 HydrophobicContact CG2-CD1 3.96Å; I51-I56 HydrophobicContact CG2-CG1 3.84Å; I51-I99 HydrophobicContact CD1-CB 4.44Å; I51-I99 HydrophobicContact CG1-CB 4.5Å; I51-I99 HydrophobicContact CG1-CG2 4.29Å; I51-I99 HydrophobicContact CG2-CD1 4.46Å; I51-I99 HydrophobicContact CG2-CG1 4.31Å
52T98.5Very high98Very high59 Ų5956 Ų5636%0.36230%0.3SS..  trans-84154.7-175.575.70000112.1E54 Q55 I56T52-E54 PolarHBondContact O-N 3.25Å; T52-E54 PolarHBondContact OG1-N 3.46Å; T52-Q55 PolarHBondContact O-N 3.27Å; T52-Q55 VanDerWaalsContact OG1-CG 3.32Å; T52-Q55 WeakPolarHBondContact OG1-CG 3.3Å; T52-Q55 PolarHBondContact OG1-N 3.37Å; T52-Q55 VanDerWaalsContact OG1-N 3.16Å; T52-I56 PolarHBondContact O-N 2.69Å
53D98.5Very high98Very high98 Ų9858.2 Ų58.252%0.52431%0.307SS..Hα-helixtrans-59.8-32.4170.9-77.1-49.2000111.7K45 I56 N57K45-D53 IonicContact NZ-OD1 3.27Å; K45-D53 PolarHBondContact NZ-OD1 3.25Å; K45-D53 IonicContact NZ-OD2 2.74Å; K45-D53 PolarHBondContact NZ-OD2 2.97Å; D53-I56 PolarHBondContact O-N 2.72Å; D53-N57 VanDerWaalsContact O-CB 3.23Å; D53-N57 WeakPolarHBondContact O-CB 3.1Å; D53-N57 PolarHBondContact O-N 2.76Å; D53-N57 PolarHBondContact O-ND2 3.12Å; D53-N57 VanDerWaalsContact O-ND2 3.11Å
54E98.5Very high98Very high112 Ų11261.8 Ų61.852%0.52333%0.326SS..Hα-helixtrans-63.2-43.7178.8-167.7175-16000111.7T52 N57 E58 K95T52-E54 PolarHBondContact O-N 3.25Å; T52-E54 PolarHBondContact OG1-N 3.46Å; E54-N57 PolarHBondContact O-N 2.79Å; E54-E58 WeakPolarHBondContact O-CB 3.26Å; E54-E58 PolarHBondContact O-N 3.01Å; E54-K95 HydrophobicContact CG-CD 3.75Å; E54-K95 WeakPolarHBondContact OE1-CE 3.42Å; E54-K95 IonicContact OE1-NZ 3.88Å; E54-K95 PolarHBondContact OE1-NZ 3.5Å
55Q98.8Very high97.9Very high27 Ų2765.1 Ų65.113%0.12635%0.35CS..Hα-helixtrans-60.5-48.1174.4-70.8174-43.400111.6I51 T52 N57 E58 M59 K95 A96 I99I51-Q55 HydrophobicContact CG2-CB 4.36Å; T52-Q55 PolarHBondContact O-N 3.27Å; T52-Q55 VanDerWaalsContact OG1-CG 3.32Å; T52-Q55 WeakPolarHBondContact OG1-CG 3.3Å; T52-Q55 PolarHBondContact OG1-N 3.37Å; T52-Q55 VanDerWaalsContact OG1-N 3.16Å; Q55-N57 PolarHBondContact O-N 3.2Å; Q55-E58 PolarHBondContact O-N 2.9Å; Q55-M59 WeakPolarHBondContact O-CG 3.41Å; Q55-M59 PolarHBondContact O-N 3.36Å; Q55-M59 VanDerWaalsContact O-N 3.12Å; Q55-K95 HydrophobicContact CG-CB 4.36Å; Q55-K95 WeakPolarHBondContact CG-O 3.44Å; Q55-K95 PolarHBondContact NE2-O 3.31Å; Q55-A96 HydrophobicContact CB-CB 4.11Å; Q55-I99 HydrophobicContact CB-CG1 4.32Å
56I98.8Very high97.8Very high6 Ų663.3 Ų63.33%0.03134%0.343CS..Hα-helixtrans-65-42.7-179.3-67.3167.7000111.2A41 E42 K45 I51 T52 D53 M59 K60A41-I56 HydrophobicContact CB-CG1 4.22Å; E42-I56 HydrophobicContact CG-CD1 4.32Å; E42-I56 HydrophobicContact CG-CG2 3.77Å; K45-I56 HydrophobicContact CB-CD1 4.13Å; K45-I56 HydrophobicContact CD-CD1 3.62Å; I51-I56 HydrophobicContact CG2-CD1 3.96Å; I51-I56 HydrophobicContact CG2-CG1 3.84Å; T52-I56 PolarHBondContact O-N 2.69Å; D53-I56 PolarHBondContact O-N 2.72Å; I56-M59 PolarHBondContact O-N 3.12Å; I56-K60 HydrophobicContact CG2-CD 4.17Å; I56-K60 WeakPolarHBondContact O-CG 3.4Å; I56-K60 PolarHBondContact O-N 3.21Å
57N98.7Very high97.7Very high90 Ų9061.2 Ų61.248%0.48134%0.336SS..Hα-helixtrans-66.7-37.8180-72-26.3000111.7D53 E54 Q55 K60 S61D53-N57 VanDerWaalsContact O-CB 3.23Å; D53-N57 WeakPolarHBondContact O-CB 3.1Å; D53-N57 PolarHBondContact O-N 2.76Å; D53-N57 PolarHBondContact O-ND2 3.12Å; D53-N57 VanDerWaalsContact O-ND2 3.11Å; E54-N57 PolarHBondContact O-N 2.79Å; Q55-N57 PolarHBondContact O-N 3.2Å; N57-K60 PolarHBondContact O-N 2.78Å; N57-S61 PolarHBondContact O-N 2.99Å; N57-S61 PolarHBondContact O-OG 3.02Å
58E98.6Very high97.7Very high31 Ų3163.6 Ų63.615%0.14535%0.346CS..Hα-helixtrans-58.9-50.5172.7-168.8179.3-117.300110.7E54 Q55 K60 S61 Q62 C93 P94 K95 A96E54-E58 WeakPolarHBondContact O-CB 3.26Å; E54-E58 PolarHBondContact O-N 3.01Å; Q55-E58 PolarHBondContact O-N 2.9Å; E58-K60 VanDerWaalsContact C-N 3.34Å; E58-K60 PolarHBondContact O-N 3.08Å; E58-S61 PolarHBondContact O-N 3.1Å; E58-S61 PolarHBondContact O-OG 3.23Å; E58-Q62 PolarHBondContact O-N 3.28Å; E58-Q62 VanDerWaalsContact O-N 3.12Å; E58-C93 VanDerWaalsContact CD-CA 3.43Å; E58-C93 HydrophobicContact CG-CB 3.89Å; E58-C93 WeakPolarHBondContact OE2-CA 3.42Å; E58-C93 WeakPolarHBondContact OE2-CB 3.14Å; E58-P94 WeakPolarHBondContact OE1-CD 3.38Å; E58-K95 WeakPolarHBondContact OE1-CG 3.18Å; E58-K95 WeakPolarHBondContact OE2-CA 3.35Å; E58-K95 VanDerWaalsContact OE2-CB 3.3Å; E58-K95 WeakPolarHBondContact OE2-CB 3.36Å; E58-K95 PolarHBondContact OE2-N 3.29Å; E58-A96 PolarHBondContact OE2-N 3.19Å
59M98.7Very high97.8Very high1 Ų163 Ų631%0.00534%0.34CS..Hα-helixtrans-57.8-43.5176.5-65172.272.300112.5W37 I38 A41 Q55 I56 Q62 R63 F89 A96 I99 I100W37-M59 HydrophobicContact CB-CE 3.71Å; I38-M59 HydrophobicContact CD1-CB 4.35Å; I38-M59 HydrophobicContact CG1-CB 3.67Å; I38-M59 HydrophobicContact CG1-CE 4.07Å; A41-M59 HydrophobicContact CB-CE 4.46Å; A41-M59 HydrophobicContact CB-SD 4.13Å; Q55-M59 WeakPolarHBondContact O-CG 3.41Å; Q55-M59 PolarHBondContact O-N 3.36Å; Q55-M59 VanDerWaalsContact O-N 3.12Å; I56-M59 PolarHBondContact O-N 3.12Å; M59-Q62 CarbonylContact O-C 3.54Å; M59-Q62 PolarHBondContact O-N 3.38Å; M59-R63 PolarHBondContact O-N 3.46Å; M59-F89 HydrophobicContact CB-CE1 4.28Å; M59-F89 HydrophobicContact CB-CZ 3.81Å; M59-F89 HydrophobicContact CE-CE1 3.78Å; M59-F89 HydrophobicContact CE-CZ 4.45Å; M59-F89 HydrophobicContact CG-CE1 4.26Å; M59-F89 HydrophobicContact CG-CZ 4.15Å; M59-A96 HydrophobicContact CG-CB 3.43Å; M59-A96 VanDerWaalsContact CG-CB 3.43Å; M59-A96 HydrophobicContact SD-CB 3.86Å; M59-I99 HydrophobicContact SD-CD1 3.55Å; M59-I99 VanDerWaalsContact SD-CD1 3.55Å; M59-I100 HydrophobicContact CE-CG1 4.09Å; M59-I100 HydrophobicContact SD-CG1 4.39Å
60K98.7Very high97.9Very high93 Ų9361.8 Ų61.840%0.40434%0.338SS..Hα-helixtrans-61.3-46.8177.9-75.9174.2178174.60112.2I38 E42 I56 N57 E58 Q62 R63I38-K60 HydrophobicContact CD1-CG 4.29Å; I38-K60 HydrophobicContact CG2-CG 3.82Å; E42-K60 WeakPolarHBondContact OE1-CE 3.03Å; E42-K60 IonicContact OE1-NZ 3.14Å; E42-K60 PolarHBondContact OE1-NZ 3.17Å; I56-K60 HydrophobicContact CG2-CD 4.17Å; I56-K60 WeakPolarHBondContact O-CG 3.4Å; I56-K60 PolarHBondContact O-N 3.21Å; N57-K60 PolarHBondContact O-N 2.78Å; E58-K60 VanDerWaalsContact C-N 3.34Å; E58-K60 PolarHBondContact O-N 3.08Å; K60-Q62 PolarHBondContact O-N 3.32Å; K60-R63 WeakPolarHBondContact O-CB 3.14Å; K60-R63 PolarHBondContact O-N 3.08Å
61S98.4Very high98Very high84 Ų8455.3 Ų55.359%0.58730%0.304SS*.Hα-helixtrans-63.4-30.2179.869.80000113.1N57 E58N57-S61 PolarHBondContact O-N 2.99Å; N57-S61 PolarHBondContact O-OG 3.02Å; E58-S61 PolarHBondContact O-N 3.1Å; E58-S61 PolarHBondContact O-OG 3.23Å
62Q98.3Very high97.9Very high58 Ų5857.9 Ų57.927%0.27133%0.326SS..THydrogen-bonded Turntrans-98.24.3-179.4-62.7-59.8-28.600113.5R34 E58 M59 K60 D64 S65 F89 A92 C93R34-Q62 PolarHBondContact NH1-O 3Å; E58-Q62 PolarHBondContact O-N 3.28Å; E58-Q62 VanDerWaalsContact O-N 3.12Å; M59-Q62 CarbonylContact O-C 3.54Å; M59-Q62 PolarHBondContact O-N 3.38Å; K60-Q62 PolarHBondContact O-N 3.32Å; Q62-D64 VanDerWaalsContact C-N 3.29Å; Q62-D64 PolarHBondContact O-N 3.34Å; Q62-S65 PolarHBondContact O-N 3.15Å; Q62-F89 HydrophobicContact CB-CE2 4.01Å; Q62-A92 HydrophobicContact CB-CB 4.33Å; Q62-A92 HydrophobicContact CG-CB 4.31Å; Q62-C93 VanDerWaalsContact CB-SG 3.53Å
63R98.3Very high97.8Very high82 Ų8257.9 Ų57.931%0.30933%0.332SS..THydrogen-bonded Turntrans-53.3-45.2-174-173.1-166.769.3-160.8-7.8112.8I31 R34 I38 M59 K60I31-R63 HydrophobicContact CG2-CG 4.45Å; R34-R63 HydrophobicContact CB-CG 4.11Å; R34-R63 WeakPolarHBondContact CD-O 3.48Å; I38-R63 HydrophobicContact CD1-CB 3.9Å; I38-R63 HydrophobicContact CD1-CG 3.84Å; M59-R63 PolarHBondContact O-N 3.46Å; K60-R63 WeakPolarHBondContact O-CB 3.14Å; K60-R63 PolarHBondContact O-N 3.08Å
64D97.7Very high97.8Very high75 Ų7555 Ų5540%0.40132%0.315SS..THydrogen-bonded Turntrans-95.8-5.9-172.2-61.3-18000113.4I31 Q62 V66I31-D64 HydrophobicContact CD1-CB 4.41Å; I31-D64 WeakPolarHBondContact CG2-OD1 3.41Å; Q62-D64 VanDerWaalsContact C-N 3.29Å; Q62-D64 PolarHBondContact O-N 3.34Å; D64-V66 PolarHBondContact O-N 3.47Å
65S96Very high97.7Very high72 Ų7253.7 Ų53.750%0.50331%0.309SS..  trans-9180.7-179.2-1700000111R34 Q62R34-S65 PolarHBondContact NH1-O 2.7Å; Q62-S65 PolarHBondContact O-N 3.15Å
66V96.3Very high97.6Very high23 Ų2359.8 Ų59.814%0.13934%0.335CS..  trans-99.8119.7-175.1-174.60000111V30 I31 D64 F68V30-V66 HydrophobicContact CB-CG1 4.45Å; V30-V66 HydrophobicContact CG1-CB 4.48Å; V30-V66 HydrophobicContact CG1-CG1 3.68Å; V30-V66 HydrophobicContact CG1-CG2 3.91Å; I31-V66 HydrophobicContact CG1-CG2 4.49Å; D64-V66 PolarHBondContact O-N 3.47Å; V66-F68 HydrophobicContact CB-CD2 4.26Å; V66-F68 HydrophobicContact CB-CE2 3.71Å; V66-F68 HydrophobicContact CB-CZ 3.93Å; V66-F68 HydrophobicContact CG1-CD1 4.17Å; V66-F68 HydrophobicContact CG1-CD2 3.98Å; V66-F68 HydrophobicContact CG1-CE1 3.88Å; V66-F68 HydrophobicContact CG1-CE2 3.68Å; V66-F68 HydrophobicContact CG1-CG 4.2Å; V66-F68 HydrophobicContact CG1-CZ 3.6Å; V66-F68 PolarHBondContact O-N 2.71Å
67D97.3Very high97.4Very high83 Ų8363.1 Ų63.144%0.44436%0.363SS..  trans-87.193.9168.2-177.1-6.9000110.4G69 T70 A71 T88D67-G69 VanDerWaalsContact C-N 3.28Å; D67-G69 PolarHBondContact O-N 3.49Å; D67-G69 WeakPolarHBondContact OD1-CA 3.2Å; D67-G69 PolarHBondContact OD1-N 3.16Å; D67-T70 VanDerWaalsContact CG-OG1 3.3Å; D67-T70 PolarHBondContact OD1-N 3.13Å; D67-T70 VanDerWaalsContact OD2-CB 3.29Å; D67-T70 WeakPolarHBondContact OD2-CB 3.27Å; D67-T70 PolarHBondContact OD2-OG1 3.33Å; D67-A71 PolarHBondContact O-N 2.8Å; D67-T88 HydrophobicContact CB-CG2 4.15Å; D67-T88 WeakPolarHBondContact O-CG2 3.3Å
68F96.7Very high97.1Very high69 Ų6964.4 Ų64.430%0.30336%0.361SS..Hα-helixtrans-68.5-26.3177.7-68.3-84.3000113E26 K27 V30 V66 A72E26-F68 HydrophobicContact CG-CE1 4.02Å; K27-F68 HydrophobicContact CB-CZ 4Å; K27-F68 HydrophobicContact CG-CZ 4.24Å; V30-F68 HydrophobicContact CG2-CE1 4.08Å; V66-F68 HydrophobicContact CB-CD2 4.26Å; V66-F68 HydrophobicContact CB-CE2 3.71Å; V66-F68 HydrophobicContact CB-CZ 3.93Å; V66-F68 HydrophobicContact CG1-CD1 4.17Å; V66-F68 HydrophobicContact CG1-CD2 3.98Å; V66-F68 HydrophobicContact CG1-CE1 3.88Å; V66-F68 HydrophobicContact CG1-CE2 3.68Å; V66-F68 HydrophobicContact CG1-CG 4.2Å; V66-F68 HydrophobicContact CG1-CZ 3.6Å; V66-F68 PolarHBondContact O-N 2.71Å; F68-A72 VanDerWaalsContact O-CB 3.31Å; F68-A72 WeakPolarHBondContact O-CB 3.36Å; F68-A72 PolarHBondContact O-N 2.85Å
69G97.6Very high96.9Very high51 Ų5172.8 Ų72.853%0.52639%0.392SS..Hα-helixtrans-67.3-49.4178.900000111D67 A72 A73D67-G69 VanDerWaalsContact C-N 3.28Å; D67-G69 PolarHBondContact O-N 3.49Å; D67-G69 WeakPolarHBondContact OD1-CA 3.2Å; D67-G69 PolarHBondContact OD1-N 3.16Å; G69-A72 PolarHBondContact O-N 2.84Å; G69-A73 PolarHBondContact O-N 2.95Å; G69-A73 VanDerWaalsContact O-N 3.08Å
70T97.3Very high96.7Very high39 Ų3975.7 Ų75.724%0.23941%0.405CS..Hα-helixtrans-62.5-44.6174.9-64.50000111.5D67 A72 A73 E74 T88 L91D67-T70 VanDerWaalsContact CG-OG1 3.3Å; D67-T70 PolarHBondContact OD1-N 3.13Å; D67-T70 VanDerWaalsContact OD2-CB 3.29Å; D67-T70 WeakPolarHBondContact OD2-CB 3.27Å; D67-T70 PolarHBondContact OD2-OG1 3.33Å; T70-A72 PolarHBondContact O-N 3.15Å; T70-A73 PolarHBondContact O-N 2.92Å; T70-E74 HydrophobicContact CG2-CG 4.31Å; T70-E74 WeakPolarHBondContact O-CB 3.12Å; T70-E74 WeakPolarHBondContact O-CG 3.1Å; T70-E74 PolarHBondContact O-N 3.38Å; T70-T88 HydrophobicContact CG2-CG2 4.25Å; T70-L91 HydrophobicContact CG2-CD1 3.97Å
71A97.4Very high96.5Very high3 Ų372.7 Ų72.73%0.02539%0.394CS..Hα-helixtrans-59.5-44.117800000112.5D67 E74 E75 A84 T88D67-A71 PolarHBondContact O-N 2.8Å; A71-E74 PolarHBondContact O-N 3.06Å; A71-E75 WeakPolarHBondContact O-CB 3.32Å; A71-E75 PolarHBondContact O-N 3.3Å; A71-A84 WeakPolarHBondContact O-CB 3.3Å; A71-T88 VanDerWaalsContact CA-OG1 3.3Å; A71-T88 WeakPolarHBondContact CA-OG1 3.45Å; A71-T88 HydrophobicContact CB-CG2 4.32Å; A71-T88 PolarHBondContact N-OG1 3.35Å
72A96.5Very high96.5Very high60 Ų6068.9 Ų68.950%0.49637%0.367SS..Hα-helixtrans-65.7-40178.300000112.6F68 G69 T70 E75 K76F68-A72 VanDerWaalsContact O-CB 3.31Å; F68-A72 WeakPolarHBondContact O-CB 3.36Å; F68-A72 PolarHBondContact O-N 2.85Å; G69-A72 PolarHBondContact O-N 2.84Å; T70-A72 PolarHBondContact O-N 3.15Å; A72-E75 PolarHBondContact O-N 3Å; A72-K76 WeakPolarHBondContact O-CB 3.48Å; A72-K76 PolarHBondContact O-N 3.31Å
73A97.4Very high96.4Very high59 Ų5969.5 Ų69.549%0.48837%0.371SS..Hα-helixtrans-63.1-44175.300000111.6G69 T70 K76 A77G69-A73 PolarHBondContact O-N 2.95Å; G69-A73 VanDerWaalsContact O-N 3.08Å; T70-A73 PolarHBondContact O-N 2.92Å; A73-K76 WeakPolarHBondContact O-CB 3.22Å; A73-K76 PolarHBondContact O-N 3.01Å; A73-A77 PolarHBondContact O-N 2.9Å
74E97.2Very high96.4Very high37 Ų3765.6 Ų65.617%0.17336%0.356CS..Hα-helixtrans-69.6-36178.2-73-69.613200112.6T70 A71 K76 A77 R78 A84 Y87T70-E74 HydrophobicContact CG2-CG 4.31Å; T70-E74 WeakPolarHBondContact O-CB 3.12Å; T70-E74 WeakPolarHBondContact O-CG 3.1Å; T70-E74 PolarHBondContact O-N 3.38Å; A71-E74 PolarHBondContact O-N 3.06Å; E74-K76 VanDerWaalsContact C-N 3.34Å; E74-A77 PolarHBondContact O-N 3.2Å; E74-R78 WeakPolarHBondContact O-CB 3.34Å; E74-R78 WeakPolarHBondContact O-CG 3.39Å; E74-R78 PolarHBondContact O-N 3.3Å; E74-R78 IonicContact OE2-CZ 2.66Å; E74-R78 VanDerWaalsContact OE2-CZ 3.25Å; E74-R78 IonicContact OE2-NE 3.79Å; E74-R78 PolarHBondContact OE2-NE 3.29Å; E74-R78 IonicContact OE2-NH2 3.24Å; E74-R78 PolarHBondContact OE2-NH2 3.29Å; E74-A84 HydrophobicContact CB-CB 3.69Å; E74-Y87 VanDerWaalsContact CD-CD1 3.49Å; E74-Y87 HydrophobicContact CG-CD1 3.51Å; E74-Y87 HydrophobicContact CG-CE1 3.81Å; E74-Y87 HydrophobicContact CG-CG 4.36Å
75E96.4Very high96.4Very high85 Ų8562.5 Ų62.540%0.39734%0.339SS..Hα-helixtrans-64.6-41.9174.3-176.8174.816900110.6A71 A72 A77 R79 D81 A84A71-E75 WeakPolarHBondContact O-CB 3.32Å; A71-E75 PolarHBondContact O-N 3.3Å; A72-E75 PolarHBondContact O-N 3Å; E75-A77 VanDerWaalsContact C-N 3.29Å; E75-A77 PolarHBondContact O-N 3.08Å; E75-R79 VanDerWaalsContact O-CA 3.25Å; E75-R79 WeakPolarHBondContact O-CA 3.39Å; E75-R79 PolarHBondContact O-N 2.97Å; E75-D81 HydrophobicContact CG-CB 4.35Å; E75-A84 HydrophobicContact CB-CB 3.8Å; E75-A84 VanDerWaalsContact N-CB 3.27Å
76K96.7Very high96.5Very high155 Ų15559.9 Ų59.967%0.67432%0.32SS*.Hα-helixtrans-59.8-40.2174.2-174.5-179.8-179.5-179.20111.9A72 A73 E74 R79A72-K76 WeakPolarHBondContact O-CB 3.48Å; A72-K76 PolarHBondContact O-N 3.31Å; A73-K76 WeakPolarHBondContact O-CB 3.22Å; A73-K76 PolarHBondContact O-N 3.01Å; E74-K76 VanDerWaalsContact C-N 3.34Å; K76-R79 PolarHBondContact O-NE 2.91Å
77A95.8Very high96.6Very high75 Ų7563 Ų6362%0.6233%0.33SS*.Hα-helixtrans-73-48.3179.500000112.6A73 E74 E75A73-A77 PolarHBondContact O-N 2.9Å; E74-A77 PolarHBondContact O-N 3.2Å; E75-A77 VanDerWaalsContact C-N 3.29Å; E75-A77 PolarHBondContact O-N 3.08Å
78R91.8Very high96.7Very high117 Ų11759.3 Ų59.344%0.44231%0.31SS..Hα-helixtrans-87.6-18.1-172.3-62.9179.9-173.1-84.8-8.1114.1E74 H80E74-R78 WeakPolarHBondContact O-CB 3.34Å; E74-R78 WeakPolarHBondContact O-CG 3.39Å; E74-R78 PolarHBondContact O-N 3.3Å; E74-R78 IonicContact OE2-CZ 2.66Å; E74-R78 VanDerWaalsContact OE2-CZ 3.25Å; E74-R78 IonicContact OE2-NE 3.79Å; E74-R78 PolarHBondContact OE2-NE 3.29Å; E74-R78 IonicContact OE2-NH2 3.24Å; E74-R78 PolarHBondContact OE2-NH2 3.29Å; R78-H80 HydrophobicContact CB-CB 4.45Å; R78-H80 PolarHBondContact O-N 2.84Å
79R94.2Very high96.7Very high207 Ų20756 Ų5678%0.78130%0.296SS*.SBendtrans55.132.5-169.9-52.6-58.1-173.8167.81.4112.6E75 K76E75-R79 VanDerWaalsContact O-CA 3.25Å; E75-R79 WeakPolarHBondContact O-CA 3.39Å; E75-R79 PolarHBondContact O-N 2.97Å; K76-R79 PolarHBondContact O-NE 2.91Å
80H94Very high96.8Very high62 Ų6254.5 Ų54.529%0.28728%0.278SS..  trans-148.7107.4-177.6-166.8-26.4000111.1R78 V82 M83 A84 S106R78-H80 HydrophobicContact CB-CB 4.45Å; R78-H80 PolarHBondContact O-N 2.84Å; H80-V82 PolarHBondContact ND1-N 3.31Å; H80-M83 HydrophobicContact CB-CB 4.15Å; H80-M83 HydrophobicContact CB-CG 4.39Å; H80-M83 PolarHBondContact O-N 3.4Å; H80-A84 WeakPolarHBondContact O-CB 3.45Å; H80-A84 PolarHBondContact O-N 3.01Å; H80-S106 PolarHBondContact CE1-OG 2.7Å; H80-S106 VanDerWaalsContact CE1-OG 3.25Å; H80-S106 PolarHBondContact NE2-OG 2.74Å
81D95.7Very high96.8Very high30 Ų3057.3 Ų57.316%0.1629%0.291CS..Hα-helixtrans-59.1-49.7-176.660.3-9.8000113.3W33 E75 M83 A84 H85 R333W33-D81 HydrophobicContact CH2-CB 4.44Å; E75-D81 HydrophobicContact CG-CB 4.35Å; D81-M83 PolarHBondContact O-N 2.62Å; D81-A84 WeakPolarHBondContact O-CB 3.3Å; D81-A84 PolarHBondContact O-N 3.12Å; D81-H85 PolarHBondContact O-CD2 3.47Å; D81-H85 PolarHBondContact O-N 3.5Å; D81-R333 IonicContact OD2-CZ 3.25Å; D81-R333 IonicContact OD2-NH2 2.9Å; D81-R333 PolarHBondContact OD2-NH2 2.94Å
82V97.3Very high96.8Very high4 Ų458.8 Ų58.82%0.02430%0.304CS..Hα-helixtrans-60.6-45.6178.8178.40000111.3W33 W37 H80 A84 H85 V86 V109W33-V82 HydrophobicContact CH2-CG2 3.68Å; W33-V82 HydrophobicContact CZ2-CG2 4.25Å; W33-V82 HydrophobicContact CZ3-CB 4.4Å; W33-V82 HydrophobicContact CZ3-CG2 3.88Å; W37-V82 HydrophobicContact CZ2-CG1 3.98Å; H80-V82 PolarHBondContact ND1-N 3.31Å; V82-A84 VanDerWaalsContact C-N 3.32Å; V82-A84 PolarHBondContact O-N 3.34Å; V82-H85 CarbonylContact O-C 3.42Å; V82-H85 PolarHBondContact O-N 2.96Å; V82-V86 HydrophobicContact CG1-CG2 4.25Å; V82-V86 WeakPolarHBondContact O-CG2 3.42Å; V82-V86 PolarHBondContact O-N 3.46Å; V82-V109 HydrophobicContact CB-CG2 4.48Å; V82-V109 HydrophobicContact CG1-CG2 3.73Å; V82-V109 HydrophobicContact CG2-CG2 3.9Å
83M97.5Very high96.9Very high72 Ų7256 Ų5636%0.35528%0.28SS..Hα-helixtrans-68.3-32.8-179.5-67.9-52-57.400112.7H80 D81 H85 V86 Y87H80-M83 HydrophobicContact CB-CB 4.15Å; H80-M83 HydrophobicContact CB-CG 4.39Å; H80-M83 PolarHBondContact O-N 3.4Å; D81-M83 PolarHBondContact O-N 2.62Å; M83-H85 VanDerWaalsContact C-N 3.34Å; M83-V86 HydrophobicContact CE-CB 4.46Å; M83-V86 HydrophobicContact CE-CG1 4.37Å; M83-V86 PolarHBondContact O-N 3.2Å; M83-V86 HydrophobicContact SD-CG2 4.47Å; M83-Y87 WeakPolarHBondContact O-CB 3.49Å; M83-Y87 PolarHBondContact O-N 3.24Å
84A97.9Very high96.9Very high0 Ų057.4 Ų57.40%029%0.285CS..Hα-helixtrans-61.4-43.4170.900000111.7A71 E74 E75 H80 D81 V82 Y87 T88A71-A84 WeakPolarHBondContact O-CB 3.3Å; E74-A84 HydrophobicContact CB-CB 3.69Å; E75-A84 HydrophobicContact CB-CB 3.8Å; E75-A84 VanDerWaalsContact N-CB 3.27Å; H80-A84 WeakPolarHBondContact O-CB 3.45Å; H80-A84 PolarHBondContact O-N 3.01Å; D81-A84 WeakPolarHBondContact O-CB 3.3Å; D81-A84 PolarHBondContact O-N 3.12Å; V82-A84 VanDerWaalsContact C-N 3.32Å; V82-A84 PolarHBondContact O-N 3.34Å; A84-Y87 PolarHBondContact O-N 3.4Å; A84-T88 WeakPolarHBondContact O-CB 3.2Å; A84-T88 PolarHBondContact O-N 3.14Å; A84-T88 PolarHBondContact O-OG1 3.29Å
85H98.3Very high97Very high10 Ų1060.6 Ų60.65%0.04630%0.298CS..Hα-helixtrans-72.7-33176.1-81.9-72.6000113.9V30 W33 W37 D81 V82 M83 T88 F89V30-H85 WeakPolarHBondContact CG1-ND1 3.24Å; V30-H85 VanDerWaalsContact CG2-CE1 3.41Å; V30-H85 WeakPolarHBondContact CG2-CE1 3.38Å; W33-H85 HydrophobicContact CE3-CB 3.98Å; W33-H85 HydrophobicContact CZ3-CB 4.07Å; W33-H85 AromaticContact CZ3-CD2 3.59Å; W37-H85 HydrophobicContact CH2-CB 4.01Å; W37-H85 HydrophobicContact CZ3-CB 4.48Å; D81-H85 PolarHBondContact O-CD2 3.47Å; D81-H85 PolarHBondContact O-N 3.5Å; V82-H85 CarbonylContact O-C 3.42Å; V82-H85 PolarHBondContact O-N 2.96Å; M83-H85 VanDerWaalsContact C-N 3.34Å; H85-T88 PolarHBondContact O-N 3.23Å; H85-F89 VanDerWaalsContact O-CB 3.29Å; H85-F89 WeakPolarHBondContact O-CB 3.46Å; H85-F89 PolarHBondContact O-N 3.25Å
86V98.2Very high97.1Very high16 Ų1656.5 Ų56.510%0.09728%0.279CS..Hα-helixtrans-59.8-50.2170.5168.10000109.5W37 V82 M83 F89 A90 I100 H101W37-V86 HydrophobicContact CH2-CG2 3.82Å; W37-V86 HydrophobicContact CZ2-CG2 3.35Å; V82-V86 HydrophobicContact CG1-CG2 4.25Å; V82-V86 WeakPolarHBondContact O-CG2 3.42Å; V82-V86 PolarHBondContact O-N 3.46Å; M83-V86 HydrophobicContact CE-CB 4.46Å; M83-V86 HydrophobicContact CE-CG1 4.37Å; M83-V86 PolarHBondContact O-N 3.2Å; M83-V86 HydrophobicContact SD-CG2 4.47Å; V86-F89 PolarHBondContact O-N 3.47Å; V86-A90 VanDerWaalsContact O-CB 3.31Å; V86-A90 WeakPolarHBondContact O-CB 3.49Å; V86-A90 PolarHBondContact O-N 2.87Å; V86-I100 HydrophobicContact CB-CG2 4.46Å; V86-I100 HydrophobicContact CG1-CG2 3.96Å; V86-I100 HydrophobicContact CG2-CG2 4.28Å; V86-H101 HydrophobicContact CG2-CB 3.98Å
87Y97.9Very high97.2Very high89 Ų8950.9 Ų50.935%0.34926%0.261SS..Hα-helixtrans-60.7-47.8178.2178.6-91.8000111.8E74 M83 A84 F89 A90 L91E74-Y87 VanDerWaalsContact CD-CD1 3.49Å; E74-Y87 HydrophobicContact CG-CD1 3.51Å; E74-Y87 HydrophobicContact CG-CE1 3.81Å; E74-Y87 HydrophobicContact CG-CG 4.36Å; M83-Y87 WeakPolarHBondContact O-CB 3.49Å; M83-Y87 PolarHBondContact O-N 3.24Å; A84-Y87 PolarHBondContact O-N 3.4Å; Y87-F89 VanDerWaalsContact C-N 3.26Å; Y87-F89 PolarHBondContact O-N 3.49Å; Y87-A90 WeakPolarHBondContact O-CB 3.45Å; Y87-A90 PolarHBondContact O-N 3.32Å; Y87-A90 VanDerWaalsContact O-N 3.16Å; Y87-L91 HydrophobicContact CD1-CD1 3.89Å; Y87-L91 HydrophobicContact CD1-CG 4.19Å; Y87-L91 HydrophobicContact CE1-CD1 3.3Å; Y87-L91 HydrophobicContact CE1-CD2 4.34Å; Y87-L91 HydrophobicContact CE1-CG 3.81Å; Y87-L91 PolarHBondContact O-N 3.21Å
88T98.1Very high97.3Very high6 Ų652 Ų524%0.03726%0.262CS..Hα-helixtrans-61-37.1179-55.80000111.7D67 T70 A71 A84 H85 A92D67-T88 HydrophobicContact CB-CG2 4.15Å; D67-T88 WeakPolarHBondContact O-CG2 3.3Å; T70-T88 HydrophobicContact CG2-CG2 4.25Å; A71-T88 VanDerWaalsContact CA-OG1 3.3Å; A71-T88 WeakPolarHBondContact CA-OG1 3.45Å; A71-T88 HydrophobicContact CB-CG2 4.32Å; A71-T88 PolarHBondContact N-OG1 3.35Å; A84-T88 WeakPolarHBondContact O-CB 3.2Å; A84-T88 PolarHBondContact O-N 3.14Å; A84-T88 PolarHBondContact O-OG1 3.29Å; H85-T88 PolarHBondContact O-N 3.23Å; T88-A92 PolarHBondContact O-N 2.99Å
89F98.5Very high97.6Very high0 Ų047 Ų470%024%0.244CC..Hα-helixtrans-74.7-36.9176.8-165.7-153000112.1R34 W37 M59 Q62 H85 V86 Y87 L91 A92 C93 I100R34-F89 HydrophobicContact CB-CD1 4.49Å; R34-F89 HydrophobicContact CB-CE1 3.97Å; R34-F89 HydrophobicContact CB-CZ 3.98Å; R34-F89 HydrophobicContact CG-CD1 3.9Å; R34-F89 HydrophobicContact CG-CD2 4.17Å; R34-F89 HydrophobicContact CG-CE1 3.85Å; R34-F89 HydrophobicContact CG-CE2 4.13Å; R34-F89 HydrophobicContact CG-CG 4.05Å; R34-F89 HydrophobicContact CG-CZ 3.97Å; R34-F89 VanDerWaalsContact CZ-CD2 3.48Å; W37-F89 AromaticContact CE3-CD1 3.68Å; W37-F89 HydrophobicContact CE3-CD1 3.68Å; W37-F89 HydrophobicContact CE3-CE1 4.16Å; W37-F89 HydrophobicContact CZ3-CD1 4.2Å; M59-F89 HydrophobicContact CB-CE1 4.28Å; M59-F89 HydrophobicContact CB-CZ 3.81Å; M59-F89 HydrophobicContact CE-CE1 3.78Å; M59-F89 HydrophobicContact CE-CZ 4.45Å; M59-F89 HydrophobicContact CG-CE1 4.26Å; M59-F89 HydrophobicContact CG-CZ 4.15Å; Q62-F89 HydrophobicContact CB-CE2 4.01Å; H85-F89 VanDerWaalsContact O-CB 3.29Å; H85-F89 WeakPolarHBondContact O-CB 3.46Å; H85-F89 PolarHBondContact O-N 3.25Å; V86-F89 PolarHBondContact O-N 3.47Å; Y87-F89 VanDerWaalsContact C-N 3.26Å; Y87-F89 PolarHBondContact O-N 3.49Å; F89-L91 VanDerWaalsContact C-N 3.33Å; F89-L91 PolarHBondContact O-N 3.37Å; F89-A92 CarbonylContact O-C 3.49Å; F89-A92 PolarHBondContact O-N 2.92Å; F89-C93 WeakPolarHBondContact CE2-SG 3.49Å; F89-C93 WeakPolarHBondContact O-CB 3.47Å; F89-C93 PolarHBondContact O-N 3.28Å; F89-I100 HydrophobicContact CB-CD1 4.24Å; F89-I100 HydrophobicContact CD1-CD1 3.8Å; F89-I100 HydrophobicContact CD1-CG1 4.29Å; F89-I100 HydrophobicContact CD1-CG2 4.3Å; F89-I100 HydrophobicContact CE1-CD1 4.47Å; F89-I100 HydrophobicContact CG-CD1 4.07Å
90A98.2Very high97.8Very high19 Ų1937.8 Ų37.816%0.15721%0.21CC..Hα-helixtrans-62.4-37173.800000112.6V86 Y87 A92 C93 A97 I100V86-A90 VanDerWaalsContact O-CB 3.31Å; V86-A90 WeakPolarHBondContact O-CB 3.49Å; V86-A90 PolarHBondContact O-N 2.87Å; Y87-A90 WeakPolarHBondContact O-CB 3.45Å; Y87-A90 PolarHBondContact O-N 3.32Å; Y87-A90 VanDerWaalsContact O-N 3.16Å; A90-A92 VanDerWaalsContact C-N 3.32Å; A90-A92 PolarHBondContact O-N 3.36Å; A90-C93 CarbonylContact O-C 3.58Å; A90-C93 PolarHBondContact O-N 3.16Å; A90-A97 HydrophobicContact CB-CB 3.65Å; A90-I100 HydrophobicContact CB-CD1 4.17Å
91L97.9Very high98Very high98 Ų9836 Ų3651%0.51320%0.202SC..Hα-helixtrans-62.2-39.9172.9-74.6-178.7000112.4T70 Y87 F89 C93T70-L91 HydrophobicContact CG2-CD1 3.97Å; Y87-L91 HydrophobicContact CD1-CD1 3.89Å; Y87-L91 HydrophobicContact CD1-CG 4.19Å; Y87-L91 HydrophobicContact CE1-CD1 3.3Å; Y87-L91 HydrophobicContact CE1-CD2 4.34Å; Y87-L91 HydrophobicContact CE1-CG 3.81Å; Y87-L91 PolarHBondContact O-N 3.21Å; F89-L91 VanDerWaalsContact C-N 3.33Å; F89-L91 PolarHBondContact O-N 3.37Å; L91-C93 VanDerWaalsContact C-N 3.31Å
92A97.6Very high98.1Very high34 Ų3436.8 Ų36.828%0.28121%0.206SC..Hα-helixtrans-74.6-23.5175.600000112.6Q62 T88 F89 A90Q62-A92 HydrophobicContact CB-CB 4.33Å; Q62-A92 HydrophobicContact CG-CB 4.31Å; T88-A92 PolarHBondContact O-N 2.99Å; F89-A92 CarbonylContact O-C 3.49Å; F89-A92 PolarHBondContact O-N 2.92Å; A90-A92 VanDerWaalsContact C-N 3.32Å; A90-A92 PolarHBondContact O-N 3.36Å
93C98.5Very high98Very high0 Ų037.5 Ų37.50%021%0.214CC..  trans-12870.4-176.2-56.80000111.5E58 Q62 F89 A90 L91 K95 A96 A97 I100E58-C93 VanDerWaalsContact CD-CA 3.43Å; E58-C93 HydrophobicContact CG-CB 3.89Å; E58-C93 WeakPolarHBondContact OE2-CA 3.42Å; E58-C93 WeakPolarHBondContact OE2-CB 3.14Å; Q62-C93 VanDerWaalsContact CB-SG 3.53Å; F89-C93 WeakPolarHBondContact CE2-SG 3.49Å; F89-C93 WeakPolarHBondContact O-CB 3.47Å; F89-C93 PolarHBondContact O-N 3.28Å; A90-C93 CarbonylContact O-C 3.58Å; A90-C93 PolarHBondContact O-N 3.16Å; L91-C93 VanDerWaalsContact C-N 3.31Å; C93-K95 VanDerWaalsContact C-N 3.26Å; C93-K95 PolarHBondContact O-N 3.49Å; C93-A96 HydrophobicContact CB-CB 3.89Å; C93-A96 CarbonylContact O-C 3.59Å; C93-A96 PolarHBondContact O-N 3.03Å; C93-A96 VanDerWaalsContact O-N 3.14Å; C93-A97 PolarHBondContact O-N 3.31Å; C93-I100 HydrophobicContact CB-CD1 4.46Å
94P98.3Very high98Very high90 Ų9035 Ų3558%0.58421%0.205SC*.THydrogen-bonded Turntrans-62.1-29.9-174.324.4-34.9000113.6E58E58-P94 WeakPolarHBondContact OE1-CD 3.38Å
95K98.4Very high98Very high103 Ų10336 Ų3645%0.44821%0.211SC..THydrogen-bonded Turntrans-74.1-39.7177-57.3174.9-174.7173.30110.5E54 Q55 E58 C93 P98E54-K95 HydrophobicContact CG-CD 3.75Å; E54-K95 WeakPolarHBondContact OE1-CE 3.42Å; E54-K95 IonicContact OE1-NZ 3.88Å; E54-K95 PolarHBondContact OE1-NZ 3.5Å; Q55-K95 HydrophobicContact CG-CB 4.36Å; Q55-K95 WeakPolarHBondContact CG-O 3.44Å; Q55-K95 PolarHBondContact NE2-O 3.31Å; E58-K95 WeakPolarHBondContact OE1-CG 3.18Å; E58-K95 WeakPolarHBondContact OE2-CA 3.35Å; E58-K95 VanDerWaalsContact OE2-CB 3.3Å; E58-K95 WeakPolarHBondContact OE2-CB 3.36Å; E58-K95 PolarHBondContact OE2-N 3.29Å; C93-K95 VanDerWaalsContact C-N 3.26Å; C93-K95 PolarHBondContact O-N 3.49Å; K95-P98 WeakPolarHBondContact O-CD 3.4Å
96A98.5Very high98Very high0 Ų037 Ų370%022%0.219CC..THydrogen-bonded Turntrans-81.3-14178.800000114.1Q55 E58 M59 C93 P98 I99 I100Q55-A96 HydrophobicContact CB-CB 4.11Å; E58-A96 PolarHBondContact OE2-N 3.19Å; M59-A96 HydrophobicContact CG-CB 3.43Å; M59-A96 VanDerWaalsContact CG-CB 3.43Å; M59-A96 HydrophobicContact SD-CB 3.86Å; C93-A96 HydrophobicContact CB-CB 3.89Å; C93-A96 CarbonylContact O-C 3.59Å; C93-A96 PolarHBondContact O-N 3.03Å; C93-A96 VanDerWaalsContact O-N 3.14Å; A96-P98 VanDerWaalsContact C-N 3.27Å; A96-P98 VanDerWaalsContact O-N 3.08Å; A96-I99 HydrophobicContact CB-CD1 4.04Å; A96-I99 HydrophobicContact CB-CG1 4.46Å; A96-I99 WeakPolarHBondContact O-CD1 3.43Å; A96-I99 VanDerWaalsContact O-CG1 3.31Å; A96-I99 WeakPolarHBondContact O-CG1 3.32Å; A96-I99 PolarHBondContact O-N 2.89Å; A96-I100 HydrophobicContact CB-CG1 4.43Å; A96-I100 WeakPolarHBondContact O-CG1 3.46Å; A96-I100 PolarHBondContact O-N 2.74Å
97A98.3Very high98Very high37 Ų3736.4 Ų36.431%0.30622%0.215SC..THydrogen-bonded Turntrans-44.6-42.2-177.900000114.7A90 C93 I99A90-A97 HydrophobicContact CB-CB 3.65Å; C93-A97 PolarHBondContact O-N 3.31Å; A97-I99 VanDerWaalsContact C-N 3.29Å; A97-I99 PolarHBondContact O-N 2.97Å
98P97.7Very high98Very high98 Ų9832.2 Ų32.264%0.63620%0.199SC*.THydrogen-bonded Turntrans-70.1-19.7-180-2034.6000115K95 A96K95-P98 WeakPolarHBondContact O-CD 3.4Å; A96-P98 VanDerWaalsContact C-N 3.27Å; A96-P98 VanDerWaalsContact O-N 3.08Å
99I98.2Very high98.1Very high13 Ų1332 Ų327%0.06720%0.197CC..THydrogen-bonded Turntrans-110-8.4-17362.371.4000113.4A41 I51 Q55 M59 A96 A97 H101 L102A41-I99 HydrophobicContact CB-CD1 4Å; I51-I99 HydrophobicContact CD1-CB 4.44Å; I51-I99 HydrophobicContact CG1-CB 4.5Å; I51-I99 HydrophobicContact CG1-CG2 4.29Å; I51-I99 HydrophobicContact CG2-CD1 4.46Å; I51-I99 HydrophobicContact CG2-CG1 4.31Å; Q55-I99 HydrophobicContact CB-CG1 4.32Å; M59-I99 HydrophobicContact SD-CD1 3.55Å; M59-I99 VanDerWaalsContact SD-CD1 3.55Å; A96-I99 HydrophobicContact CB-CD1 4.04Å; A96-I99 HydrophobicContact CB-CG1 4.46Å; A96-I99 WeakPolarHBondContact O-CD1 3.43Å; A96-I99 VanDerWaalsContact O-CG1 3.31Å; A96-I99 WeakPolarHBondContact O-CG1 3.32Å; A96-I99 PolarHBondContact O-N 2.89Å; A97-I99 VanDerWaalsContact C-N 3.29Å; A97-I99 PolarHBondContact O-N 2.97Å; I99-H101 PolarHBondContact O-N 3.14Å; I99-L102 WeakPolarHBondContact O-CB 3.49Å; I99-L102 PolarHBondContact O-N 3.4Å
100I98.3Very high98Very high12 Ų1232.6 Ų32.66%0.06220%0.204CC..THydrogen-bonded Turntrans-63.6127.2175.4-65.9167.6000108.7W37 M59 V86 F89 A90 C93 A96 L102W37-I100 HydrophobicContact CD2-CG2 4.01Å; W37-I100 HydrophobicContact CE3-CG2 4.32Å; W37-I100 HydrophobicContact CG-CG2 4.14Å; M59-I100 HydrophobicContact CE-CG1 4.09Å; M59-I100 HydrophobicContact SD-CG1 4.39Å; V86-I100 HydrophobicContact CB-CG2 4.46Å; V86-I100 HydrophobicContact CG1-CG2 3.96Å; V86-I100 HydrophobicContact CG2-CG2 4.28Å; F89-I100 HydrophobicContact CB-CD1 4.24Å; F89-I100 HydrophobicContact CD1-CD1 3.8Å; F89-I100 HydrophobicContact CD1-CG1 4.29Å; F89-I100 HydrophobicContact CD1-CG2 4.3Å; F89-I100 HydrophobicContact CE1-CD1 4.47Å; F89-I100 HydrophobicContact CG-CD1 4.07Å; A90-I100 HydrophobicContact CB-CD1 4.17Å; C93-I100 HydrophobicContact CB-CD1 4.46Å; A96-I100 HydrophobicContact CB-CG1 4.43Å; A96-I100 WeakPolarHBondContact O-CG1 3.46Å; A96-I100 PolarHBondContact O-N 2.74Å; I100-L102 VanDerWaalsContact C-N 3.26Å; I100-L102 PolarHBondContact O-N 2.8Å
101H98.3Very high98.1Very high24 Ų2431.9 Ų31.911%0.11120%0.198CC..THydrogen-bonded Turntrans69.413.3178.8-153.446.6000115.9W37 V86 I99 G103 A104 T105W37-H101 AromaticContact CD1-ND1 3.83Å; W37-H101 AromaticContact NE1-CE1 3.96Å; W37-H101 AromaticContact NE1-CG 3.51Å; W37-H101 AromaticContact NE1-ND1 3.01Å; W37-H101 PolarHBondContact NE1-ND1 2.72Å; V86-H101 HydrophobicContact CG2-CB 3.98Å; I99-H101 PolarHBondContact O-N 3.14Å; H101-G103 PolarHBondContact O-N 2.97Å; H101-A104 WeakPolarHBondContact ND1-CB 3.4Å; H101-A104 PolarHBondContact O-N 2.95Å; H101-T105 PolarHBondContact CE1-O 3.49Å
102L97.6Very high98.1Very high48 Ų4827.2 Ų27.225%0.25117%0.173SC..THydrogen-bonded Turntrans-57122.8-175.8-174.762.7000113Q44 F49 I99 I100 A104 L206Q44-L102 PolarHBondContact NE2-O 3.22Å; F49-L102 HydrophobicContact CD1-CD2 3.91Å; F49-L102 HydrophobicContact CE1-CD2 3.28Å; F49-L102 HydrophobicContact CZ-CD2 3.76Å; I99-L102 WeakPolarHBondContact O-CB 3.49Å; I99-L102 PolarHBondContact O-N 3.4Å; I100-L102 VanDerWaalsContact C-N 3.26Å; I100-L102 PolarHBondContact O-N 2.8Å; L102-A104 PolarHBondContact O-N 3.06Å; L102-A104 VanDerWaalsContact O-N 3.16Å; L102-L206 HydrophobicContact CD1-CD1 4.26Å; L102-L206 HydrophobicContact CD2-CD1 3.88Å; L102-L206 HydrophobicContact CG-CD1 3.85Å
103G96.2Very high98.2Very high18 Ų1825.6 Ų25.619%0.18616%0.16CC..THydrogen-bonded Turntrans73.5-8-178.900000115.2H101 S202 F203H101-G103 PolarHBondContact O-N 2.97Å; G103-S202 WeakPolarHBondContact O-CB 3.11Å; G103-S202 PolarHBondContact O-OG 3.03Å; G103-F203 WeakPolarHBondContact O-CE2 3.34Å; G103-F203 VanDerWaalsContact O-CZ 3.27Å; G103-F203 WeakPolarHBondContact O-CZ 3.44Å
104A97.9Very high98.2Very high20 Ų2027 Ų2717%0.16517%0.168CC..  trans-87.7162.8-178.100000112.8L40 H101 L102 F108 F203L40-A104 HydrophobicContact CD2-CB 3.84Å; H101-A104 WeakPolarHBondContact ND1-CB 3.4Å; H101-A104 PolarHBondContact O-N 2.95Å; L102-A104 PolarHBondContact O-N 3.06Å; L102-A104 VanDerWaalsContact O-N 3.16Å; A104-F108 HydrophobicContact CB-CB 3.73Å; A104-F108 HydrophobicContact CB-CD1 3.96Å; A104-F108 HydrophobicContact CB-CG 3.89Å; A104-F203 HydrophobicContact CB-CZ 4.06Å
105T97.3Very high98.2Very high22 Ų2222.8 Ų22.814%0.13514%0.14CC..  trans-110.8166.3168.3-175.50000109.4H101 C107 F108 G195H101-T105 PolarHBondContact CE1-O 3.49Å; T105-C107 HydrophobicContact CG2-CB 4.23Å; T105-C107 PolarHBondContact O-N 2.77Å; T105-C107 VanDerWaalsContact O-N 3.08Å; T105-F108 WeakPolarHBondContact O-CB 3.28Å; T105-F108 PolarHBondContact O-N 2.89Å; T105-G195 VanDerWaalsContact CG2-C 3.49Å; T105-G195 WeakPolarHBondContact CG2-O 3.27Å
106S97.7Very high98.2Very high31 Ų3118.4 Ų18.422%0.21712%0.121CC..THydrogen-bonded Turntrans-50.1-38.7-179.3-40.90000113.6H80 F108 V109 G110H80-S106 PolarHBondContact CE1-OG 2.7Å; H80-S106 VanDerWaalsContact CE1-OG 3.25Å; H80-S106 PolarHBondContact NE2-OG 2.74Å; S106-F108 PolarHBondContact O-N 3.37Å; S106-V109 WeakPolarHBondContact O-CG2 3.37Å; S106-V109 PolarHBondContact O-N 3.07Å; S106-V109 VanDerWaalsContact O-N 3.17Å; S106-G110 PolarHBondContact O-N 3.47Å
107C98.5Very high98.2Very high3 Ų318.9 Ų18.92%0.0212%0.123CC..Hα-helixtrans-67.3-13176.3-74.40000114.5T105 V109 D111 Q236 R324T105-C107 HydrophobicContact CG2-CB 4.23Å; T105-C107 PolarHBondContact O-N 2.77Å; T105-C107 VanDerWaalsContact O-N 3.08Å; C107-V109 VanDerWaalsContact C-N 3.28Å; C107-V109 PolarHBondContact O-N 3.29Å; C107-D111 HydrophobicContact CB-CB 4.26Å; C107-D111 WeakPolarHBondContact O-CB 3.43Å; C107-D111 PolarHBondContact O-N 3.47Å; C107-Q236 HydrophobicContact CB-CG 4.4Å; C107-Q236 VanDerWaalsContact CB-O 3.3Å; C107-Q236 WeakPolarHBondContact CB-O 3.4Å; C107-R324 PolarHBondContact SG-NH1 3.38Å
108F98.8Very high98.2Very high1 Ų117.1 Ų17.10%0.00411%0.109CC..Hα-helixtrans-60.9-40.3169.5174.3-106.9000111.5L36 L40 A104 T105 S106 N112 L221L36-F108 HydrophobicContact CB-CE1 3.91Å; L36-F108 HydrophobicContact CB-CZ 4.12Å; L36-F108 HydrophobicContact CD2-CZ 4.46Å; L36-F108 WeakPolarHBondContact O-CE1 3.33Å; L36-F108 WeakPolarHBondContact O-CZ 3.35Å; L40-F108 HydrophobicContact CB-CE1 3.79Å; L40-F108 HydrophobicContact CB-CZ 3.73Å; L40-F108 HydrophobicContact CD1-CE2 4.43Å; L40-F108 HydrophobicContact CD1-CZ 4.17Å; L40-F108 HydrophobicContact CD2-CD1 4.1Å; L40-F108 HydrophobicContact CD2-CE1 3.78Å; L40-F108 HydrophobicContact CD2-CZ 4.23Å; L40-F108 HydrophobicContact CG-CE1 4.26Å; L40-F108 HydrophobicContact CG-CZ 4.27Å; A104-F108 HydrophobicContact CB-CB 3.73Å; A104-F108 HydrophobicContact CB-CD1 3.96Å; A104-F108 HydrophobicContact CB-CG 3.89Å; T105-F108 WeakPolarHBondContact O-CB 3.28Å; T105-F108 PolarHBondContact O-N 2.89Å; S106-F108 PolarHBondContact O-N 3.37Å; F108-N112 VanDerWaalsContact O-CB 3.27Å; F108-N112 WeakPolarHBondContact O-CB 3.27Å; F108-N112 PolarHBondContact O-ND2 2.97Å; F108-L221 HydrophobicContact CE2-CD1 4.02Å; F108-L221 HydrophobicContact CZ-CD2 4.42Å
109V98.7Very high98.3Very high0 Ų014.3 Ų14.30%09%0.087CC..Hα-helixtrans-93.9-42.3176.4-65.40000112.3W33 L36 W37 V82 S106 C107 A113W33-V109 HydrophobicContact CB-CB 3.96Å; W33-V109 HydrophobicContact CB-CG1 4.25Å; W33-V109 HydrophobicContact CB-CG2 4.48Å; W33-V109 HydrophobicContact CD2-CB 4.09Å; W33-V109 HydrophobicContact CD2-CG2 3.87Å; W33-V109 HydrophobicContact CE3-CG2 4.21Å; W33-V109 HydrophobicContact CG-CB 3.69Å; W33-V109 HydrophobicContact CG-CG2 4.02Å; W33-V109 PolarHBondContact NE1-O 2.85Å; L36-V109 HydrophobicContact CB-CG1 4.13Å; W37-V109 HydrophobicContact CD2-CG1 3.99Å; W37-V109 VanDerWaalsContact CE2-CG1 3.49Å; W37-V109 HydrophobicContact CG-CG1 4.2Å; W37-V109 HydrophobicContact CZ2-CB 4.47Å; W37-V109 HydrophobicContact CZ2-CG1 3.86Å; W37-V109 HydrophobicContact CZ2-CG2 3.97Å; V82-V109 HydrophobicContact CB-CG2 4.48Å; V82-V109 HydrophobicContact CG1-CG2 3.73Å; V82-V109 HydrophobicContact CG2-CG2 3.9Å; S106-V109 WeakPolarHBondContact O-CG2 3.37Å; S106-V109 PolarHBondContact O-N 3.07Å; S106-V109 VanDerWaalsContact O-N 3.17Å; C107-V109 VanDerWaalsContact C-N 3.28Å; C107-V109 PolarHBondContact O-N 3.29Å; V109-A113 WeakPolarHBondContact O-CB 3.36Å; V109-A113 PolarHBondContact O-N 3.32Å
110G98.1Very high98.3Very high14 Ų1415.7 Ų15.714%0.1449%0.094CC..Hα-helixtrans-60.2-61.5-17800000112.7S106 A113 D114S106-G110 PolarHBondContact O-N 3.47Å; G110-A113 PolarHBondContact O-N 2.86Å; G110-D114 VanDerWaalsContact O-CG 3.32Å; G110-D114 PolarHBondContact O-N 3.3Å
111D98.7Very high98.3Very high4 Ų415.1 Ų15.12%0.0219%0.091CC..Hα-helixtrans-71.2-39.3-173.7-90.942.7000112.8C107 D114 L115 T237 Y238 R240C107-D111 HydrophobicContact CB-CB 4.26Å; C107-D111 WeakPolarHBondContact O-CB 3.43Å; C107-D111 PolarHBondContact O-N 3.47Å; D111-D114 PolarHBondContact O-N 2.98Å; D111-L115 VanDerWaalsContact O-CG 3.28Å; D111-L115 WeakPolarHBondContact O-CG 3.42Å; D111-L115 PolarHBondContact O-N 3.46Å; D111-T237 WeakPolarHBondContact OD2-CA 3.4Å; D111-T237 WeakPolarHBondContact OD2-CB 3.4Å; D111-Y238 HydrophobicContact CB-CD1 3.88Å; D111-Y238 HydrophobicContact CB-CE1 4.27Å; D111-Y238 WeakPolarHBondContact OD2-CD1 3.34Å; D111-Y238 PolarHBondContact OD2-N 2.93Å; D111-R240 IonicContact OD1-CZ 3.69Å; D111-R240 IonicContact OD1-NH1 3.07Å; D111-R240 IonicContact OD1-NH2 3.03Å; D111-R240 PolarHBondContact OD1-NH2 2.93Å; D111-R240 IonicContact OD2-CZ 3.74Å; D111-R240 IonicContact OD2-NH1 3.7Å; D111-R240 PolarHBondContact OD2-NH1 3.03Å; D111-R240 IonicContact OD2-NH2 2.73Å
112N98.9Very high98.3Very high0 Ų014 Ų140%09%0.086CC..Hα-helixtrans-68.3-37.1178.7-74.2-46.9000111.7L36 F108 L115 I116 F190 R191 G192L36-N112 HydrophobicContact CD1-CB 3.82Å; L36-N112 HydrophobicContact CD2-CB 3.85Å; F108-N112 VanDerWaalsContact O-CB 3.27Å; F108-N112 WeakPolarHBondContact O-CB 3.27Å; F108-N112 PolarHBondContact O-ND2 2.97Å; N112-L115 PolarHBondContact O-N 3.22Å; N112-I116 VanDerWaalsContact O-CG1 3.28Å; N112-I116 WeakPolarHBondContact O-CG1 3.28Å; N112-I116 PolarHBondContact O-N 3.16Å; N112-F190 HydrophobicContact CB-CD2 4.32Å; N112-F190 HydrophobicContact CB-CE2 3.47Å; N112-F190 VanDerWaalsContact CB-CE2 3.47Å; N112-F190 HydrophobicContact CB-CZ 3.66Å; N112-F190 VanDerWaalsContact CG-CE2 3.44Å; N112-F190 WeakPolarHBondContact OD1-CD2 3.36Å; N112-F190 WeakPolarHBondContact OD1-CE2 3.31Å; N112-F190 VanDerWaalsContact OD1-CZ 3.31Å; N112-F190 WeakPolarHBondContact OD1-CZ 3.38Å; N112-R191 WeakPolarHBondContact OD1-CA 3.36Å; N112-R191 VanDerWaalsContact OD1-CB 3.3Å; N112-R191 WeakPolarHBondContact OD1-CB 3.33Å; N112-R191 PolarHBondContact OD1-N 2.91Å; N112-R191 VanDerWaalsContact OD1-N 3.11Å; N112-G192 PolarHBondContact ND2-O 3.3Å; N112-G192 PolarHBondContact OD1-N 3.39Å
113A98.7Very high98.4Very high0 Ų014.2 Ų14.20%09%0.087CC..Hα-helixtrans-66.5-42.3173.800000111.5L32 L36 V109 G110 L115 I116 M117L32-A113 HydrophobicContact CB-CB 3.89Å; L32-A113 HydrophobicContact CD1-CB 4.38Å; L36-A113 HydrophobicContact CD1-CB 4.03Å; V109-A113 WeakPolarHBondContact O-CB 3.36Å; V109-A113 PolarHBondContact O-N 3.32Å; G110-A113 PolarHBondContact O-N 2.86Å; A113-L115 VanDerWaalsContact C-N 3.34Å; A113-L115 PolarHBondContact O-N 2.91Å; A113-I116 PolarHBondContact O-N 2.87Å; A113-M117 VanDerWaalsContact O-CG 3.3Å; A113-M117 WeakPolarHBondContact O-CG 3.42Å; A113-M117 PolarHBondContact O-N 2.97Å
114D98.6Very high98.5Very high30 Ų3014 Ų1416%0.168%0.082CC..Hα-helixtrans-56.8-48.3173.8-73-9.5000110.5G110 D111 I116 M117 L118 R332G110-D114 VanDerWaalsContact O-CG 3.32Å; G110-D114 PolarHBondContact O-N 3.3Å; D111-D114 PolarHBondContact O-N 2.98Å; D114-I116 VanDerWaalsContact C-N 3.34Å; D114-I116 PolarHBondContact O-N 3.11Å; D114-M117 PolarHBondContact O-N 3.23Å; D114-L118 WeakPolarHBondContact O-CB 3.46Å; D114-L118 WeakPolarHBondContact O-CG 3.28Å; D114-L118 PolarHBondContact O-N 3.32Å; D114-R332 IonicContact OD2-CZ 3.52Å; D114-R332 IonicContact OD2-NH1 2.76Å; D114-R332 PolarHBondContact OD2-NH1 2.93Å; D114-R332 VanDerWaalsContact OD2-NH1 3.14Å; D114-R332 IonicContact OD2-NH2 2.72Å; D114-R332 PolarHBondContact OD2-NH2 2.95Å
115L98.7Very high98.5Very high0 Ų013 Ų130%07%0.074CC..Hα-helixtrans-60.5-39.8178.1-71.6164.4000113.1D111 N112 A113 K119 I188 R189 R191 F227 Y238D111-L115 VanDerWaalsContact O-CG 3.28Å; D111-L115 WeakPolarHBondContact O-CG 3.42Å; D111-L115 PolarHBondContact O-N 3.46Å; N112-L115 PolarHBondContact O-N 3.22Å; A113-L115 VanDerWaalsContact C-N 3.34Å; A113-L115 PolarHBondContact O-N 2.91Å; L115-K119 WeakPolarHBondContact O-CB 3.49Å; L115-K119 PolarHBondContact O-N 3.42Å; L115-I188 HydrophobicContact CB-CG2 4.48Å; L115-I188 HydrophobicContact CD2-CG2 3.75Å; L115-R189 VanDerWaalsContact CD1-O 3.31Å; L115-R189 WeakPolarHBondContact CD1-O 3.34Å; L115-R191 HydrophobicContact CD1-CB 3.95Å; L115-F227 HydrophobicContact CB-CZ 4.29Å; L115-Y238 HydrophobicContact CD1-CD1 3.65Å; L115-Y238 HydrophobicContact CD1-CE1 4.3Å; L115-Y238 HydrophobicContact CD1-CG 4.1Å; L115-Y238 HydrophobicContact CD2-CD1 3.84Å; L115-Y238 HydrophobicContact CD2-CD2 4.26Å; L115-Y238 HydrophobicContact CD2-CE1 3.93Å; L115-Y238 HydrophobicContact CD2-CE2 4.37Å; L115-Y238 HydrophobicContact CD2-CG 4.02Å; L115-Y238 HydrophobicContact CG-CD1 3.65Å; L115-Y238 HydrophobicContact CG-CE1 3.8Å; L115-Y238 HydrophobicContact CG-CG 4.26Å
116I98.7Very high98.6Very high12 Ų1212 Ų126%0.0627%0.068CC..Hα-helixtrans-62.5-49.6174.2-69163.4000109.9L32 L36 W39 N112 A113 D114 L118 K119 D120 F190 F227L32-I116 HydrophobicContact CD1-CB 4.3Å; L32-I116 HydrophobicContact CD1-CG2 3.94Å; L32-I116 HydrophobicContact CD2-CD1 4.28Å; L32-I116 HydrophobicContact CD2-CG2 3.89Å; L36-I116 HydrophobicContact CD2-CD1 4.38Å; W39-I116 HydrophobicContact CZ3-CD1 4.26Å; N112-I116 VanDerWaalsContact O-CG1 3.28Å; N112-I116 WeakPolarHBondContact O-CG1 3.28Å; N112-I116 PolarHBondContact O-N 3.16Å; A113-I116 PolarHBondContact O-N 2.87Å; D114-I116 VanDerWaalsContact C-N 3.34Å; D114-I116 PolarHBondContact O-N 3.11Å; I116-L118 VanDerWaalsContact C-N 3.33Å; I116-L118 PolarHBondContact O-N 2.79Å; I116-K119 PolarHBondContact O-N 2.92Å; I116-D120 WeakPolarHBondContact O-CB 3.42Å; I116-D120 PolarHBondContact O-N 3.28Å; I116-F190 HydrophobicContact CD1-CE2 4.38Å; I116-F227 HydrophobicContact CG1-CE2 3.92Å
117M98.7Very high98.6Very high9 Ų911.9 Ų11.94%0.0447%0.066CC..Hα-helixtrans-63.5-37.5179.9-68.3162.668.200112.3N23 F24 K29 L32 A113 D114 D120 G121N23-M117 PolarHBondContact ND2-O 2.55Å; N23-M117 WeakPolarHBondContact O-CE 3.15Å; F24-M117 HydrophobicContact CB-CE 4.38Å; F24-M117 HydrophobicContact CD1-CE 3.82Å; F24-M117 HydrophobicContact CE1-CB 4.29Å; F24-M117 HydrophobicContact CG-CE 4.41Å; K29-M117 HydrophobicContact CB-CE 4.38Å; K29-M117 HydrophobicContact CB-SD 4.12Å; K29-M117 HydrophobicContact CG-SD 4.38Å; L32-M117 HydrophobicContact CD1-CG 3.56Å; L32-M117 HydrophobicContact CD1-SD 4.08Å; A113-M117 VanDerWaalsContact O-CG 3.3Å; A113-M117 WeakPolarHBondContact O-CG 3.42Å; A113-M117 PolarHBondContact O-N 2.97Å; D114-M117 PolarHBondContact O-N 3.23Å; M117-D120 PolarHBondContact O-N 3.12Å; M117-G121 PolarHBondContact O-N 2.87Å
118L98.7Very high98.6Very high1 Ų112.3 Ų12.31%0.0057%0.068CC..Hα-helixtrans-65.2-44.7175.5-69.5168.7000111.1D114 I116 G121 L122 I188 I246 L336 F340D114-L118 WeakPolarHBondContact O-CB 3.46Å; D114-L118 WeakPolarHBondContact O-CG 3.28Å; D114-L118 PolarHBondContact O-N 3.32Å; I116-L118 VanDerWaalsContact C-N 3.33Å; I116-L118 PolarHBondContact O-N 2.79Å; L118-G121 PolarHBondContact O-N 3.19Å; L118-L122 WeakPolarHBondContact O-CG 3.48Å; L118-L122 PolarHBondContact O-N 3.17Å; L118-I188 HydrophobicContact CB-CD1 4.1Å; L118-I246 HydrophobicContact CB-CD1 4.32Å; L118-I246 HydrophobicContact CD1-CD1 3.95Å; L118-I246 HydrophobicContact CD2-CD1 4.32Å; L118-I246 HydrophobicContact CG-CD1 4.43Å; L118-L336 HydrophobicContact CD2-CB 4.28Å; L118-L336 HydrophobicContact CD2-CD1 4.38Å; L118-F340 HydrophobicContact CD2-CD2 4.21Å; L118-F340 HydrophobicContact CD2-CE2 3.41Å; L118-F340 VanDerWaalsContact CD2-CE2 3.41Å; L118-F340 HydrophobicContact CD2-CZ 4.06Å
119K98.5Very high98.6Very high39 Ų3912.2 Ų12.217%0.177%0.067CC..Hα-helixtrans-64.2-43.3175.4-179.1-178.2172.9-169.10111.9L115 I116 G121 L122 N123 G226 F227L115-K119 WeakPolarHBondContact O-CB 3.49Å; L115-K119 PolarHBondContact O-N 3.42Å; I116-K119 PolarHBondContact O-N 2.92Å; K119-G121 VanDerWaalsContact C-N 3.31Å; K119-L122 PolarHBondContact O-N 2.64Å; K119-N123 PolarHBondContact O-N 2.89Å; K119-N123 PolarHBondContact O-ND2 3.49Å; K119-G226 PolarHBondContact NZ-O 3.43Å; K119-F227 HydrophobicContact CB-CE1 4.46Å; K119-F227 HydrophobicContact CB-CZ 3.97Å; K119-F227 HydrophobicContact CD-CD1 4.36Å; K119-F227 HydrophobicContact CD-CE1 3.71Å; K119-F227 HydrophobicContact CD-CE2 4.06Å; K119-F227 HydrophobicContact CD-CZ 3.55Å; K119-F227 HydrophobicContact CG-CZ 4.4Å
120D98.5Very high98.6Very high42 Ų4212.2 Ų12.223%0.2257%0.067CC..Hα-helixtrans-62.1-40.9175.2-73.5-7.3000110.5N23 R28 I116 M117 L122 N123 I124N23-D120 VanDerWaalsContact OD1-CB 3.3Å; N23-D120 WeakPolarHBondContact OD1-CB 3.15Å; R28-D120 IonicContact CZ-OD2 2.96Å; R28-D120 IonicContact NH2-OD2 2.67Å; R28-D120 PolarHBondContact NH2-OD2 2.92Å; I116-D120 WeakPolarHBondContact O-CB 3.42Å; I116-D120 PolarHBondContact O-N 3.28Å; M117-D120 PolarHBondContact O-N 3.12Å; D120-L122 VanDerWaalsContact C-N 3.35Å; D120-L122 PolarHBondContact O-N 3.32Å; D120-N123 WeakPolarHBondContact O-CA 3.47Å; D120-N123 WeakPolarHBondContact O-CB 3.32Å; D120-N123 PolarHBondContact O-N 2.95Å; D120-N123 VanDerWaalsContact O-N 3.09Å; D120-I124 WeakPolarHBondContact O-CG1 3.1Å; D120-I124 PolarHBondContact O-N 3.47Å
121G98.7Very high98.7Very high0 Ų012.5 Ų12.50%06%0.064CC..Hα-helixtrans-57-44.7172.500000112.6M117 L118 K119 N123 I124 L125 F340M117-G121 PolarHBondContact O-N 2.87Å; L118-G121 PolarHBondContact O-N 3.19Å; K119-G121 VanDerWaalsContact C-N 3.31Å; G121-N123 VanDerWaalsContact C-N 3.32Å; G121-N123 PolarHBondContact O-N 2.95Å; G121-I124 PolarHBondContact O-N 2.92Å; G121-L125 WeakPolarHBondContact O-CG 3.3Å; G121-L125 PolarHBondContact O-N 2.76Å; G121-F340 VanDerWaalsContact C-CE1 3.43Å
122L98.7Very high98.7Very high0 Ų012.3 Ų12.30%06%0.063CC..Hα-helixtrans-63.3-39.5174.8-67.1178.2000111.7L118 K119 D120 I124 L125 L126 L180 L183 K184 I188 F340L118-L122 WeakPolarHBondContact O-CG 3.48Å; L118-L122 PolarHBondContact O-N 3.17Å; K119-L122 PolarHBondContact O-N 2.64Å; D120-L122 VanDerWaalsContact C-N 3.35Å; D120-L122 PolarHBondContact O-N 3.32Å; L122-I124 PolarHBondContact O-N 3.3Å; L122-L125 PolarHBondContact O-N 2.83Å; L122-L126 WeakPolarHBondContact O-CB 3.49Å; L122-L126 VanDerWaalsContact O-CG 3.29Å; L122-L126 WeakPolarHBondContact O-CG 3.29Å; L122-L126 PolarHBondContact O-N 3.15Å; L122-L180 HydrophobicContact CD2-CD2 3.88Å; L122-L183 HydrophobicContact CD1-CB 3.82Å; L122-L183 HydrophobicContact CD2-CD1 4.46Å; L122-K184 HydrophobicContact CB-CB 4.48Å; L122-K184 HydrophobicContact CD1-CB 4Å; L122-I188 HydrophobicContact CD1-CD1 3.48Å; L122-I188 VanDerWaalsContact CD1-CD1 3.48Å; L122-I188 HydrophobicContact CD1-CG1 4.36Å; L122-I188 HydrophobicContact CG-CD1 4.41Å; L122-F340 HydrophobicContact CD2-CE1 3.91Å; L122-F340 HydrophobicContact CD2-CZ 4.09Å; L122-F340 HydrophobicContact CG-CE1 4.09Å; L122-F340 HydrophobicContact CG-CZ 4.2Å
123N98.2Very high98.7Very high52 Ų5212.3 Ų12.328%0.2786%0.063SC..Hα-helixtrans-64.3-27.8176.2-71.1-38000113.1K119 D120 G121 P127 K184K119-N123 PolarHBondContact O-N 2.89Å; K119-N123 PolarHBondContact O-ND2 3.49Å; D120-N123 WeakPolarHBondContact O-CA 3.47Å; D120-N123 WeakPolarHBondContact O-CB 3.32Å; D120-N123 PolarHBondContact O-N 2.95Å; D120-N123 VanDerWaalsContact O-N 3.09Å; G121-N123 VanDerWaalsContact C-N 3.32Å; G121-N123 PolarHBondContact O-N 2.95Å; N123-P127 WeakPolarHBondContact O-CD 3.2Å; N123-P127 WeakPolarHBondContact O-CG 3.5Å; N123-K184 VanDerWaalsContact OD1-CD 3.29Å; N123-K184 WeakPolarHBondContact OD1-CD 3.16Å; N123-K184 WeakPolarHBondContact OD1-CE 3.2Å; N123-K184 PolarHBondContact OD1-NZ 2.91Å
124I98.5Very high98.7Very high14 Ų1413.1 Ų13.17%0.0727%0.067CC..Hα-helixtrans-75.7-41.2173.7-63.2161.9000110.6E19 M20 N23 D120 G121 L122E19-I124 HydrophobicContact CG-CD1 3.85Å; E19-I124 HydrophobicContact CG-CG1 3.98Å; E19-I124 HydrophobicContact CG-CG2 4.39Å; M20-I124 HydrophobicContact CE-CB 3.74Å; M20-I124 HydrophobicContact CE-CD1 4.25Å; M20-I124 HydrophobicContact CE-CG2 3.63Å; M20-I124 HydrophobicContact SD-CD1 4.08Å; N23-I124 HydrophobicContact CB-CD1 3.95Å; D120-I124 WeakPolarHBondContact O-CG1 3.1Å; D120-I124 PolarHBondContact O-N 3.47Å; G121-I124 PolarHBondContact O-N 2.92Å; L122-I124 PolarHBondContact O-N 3.3Å
125L98.8Very high98.6Very high0 Ų012.7 Ų12.70%06%0.064CC..Hα-helixtrans-74.1-41.1-176.6-66177.8000113.5M20 G121 L122 K128 V129 L180 L250 F340 A343 D344 L347M20-L125 HydrophobicContact CE-CD1 4.45Å; M20-L125 HydrophobicContact CE-CD2 3.66Å; M20-L125 HydrophobicContact CE-CG 3.72Å; G121-L125 WeakPolarHBondContact O-CG 3.3Å; G121-L125 PolarHBondContact O-N 2.76Å; L122-L125 PolarHBondContact O-N 2.83Å; L125-K128 WeakPolarHBondContact O-CA 3.41Å; L125-K128 VanDerWaalsContact O-CB 3.32Å; L125-K128 WeakPolarHBondContact O-CB 3.34Å; L125-K128 PolarHBondContact O-N 3.5Å; L125-V129 PolarHBondContact O-N 3.49Å; L125-L180 HydrophobicContact CB-CD1 4.05Å; L125-L250 HydrophobicContact CD1-CD2 3.53Å; L125-F340 HydrophobicContact CD1-CD1 3.6Å; L125-F340 HydrophobicContact CD1-CE1 3.92Å; L125-F340 HydrophobicContact CG-CD1 4.34Å; L125-A343 HydrophobicContact CD1-CB 4.03Å; L125-A343 HydrophobicContact CD2-CB 4.14Å; L125-D344 HydrophobicContact CD2-CB 3.97Å; L125-L347 HydrophobicContact CB-CD1 4.37Å; L125-L347 HydrophobicContact CD2-CD1 3.95Å
126L98.8Very high98.6Very high1 Ų112.8 Ų12.81%0.0056%0.064CC..Hα-helixtrans-53.7-52.3-175.4-80.2167.4000113.2L122 K128 V129 A130 L177 L180 E181 K184 Y468L122-L126 WeakPolarHBondContact O-CB 3.49Å; L122-L126 VanDerWaalsContact O-CG 3.29Å; L122-L126 WeakPolarHBondContact O-CG 3.29Å; L122-L126 PolarHBondContact O-N 3.15Å; L126-K128 PolarHBondContact O-N 2.91Å; L126-V129 PolarHBondContact O-N 3.01Å; L126-A130 PolarHBondContact O-N 2.98Å; L126-L177 HydrophobicContact CD2-CD1 3.68Å; L126-L180 HydrophobicContact CD2-CB 3.43Å; L126-L180 VanDerWaalsContact CD2-CB 3.43Å; L126-L180 HydrophobicContact CD2-CD1 4.22Å; L126-L180 HydrophobicContact CD2-CG 4.49Å; L126-L180 HydrophobicContact CG-CB 4.1Å; L126-L180 HydrophobicContact CG-CD1 4.49Å; L126-E181 HydrophobicContact CD2-CG 3.61Å; L126-K184 HydrophobicContact CD1-CB 4.38Å; L126-K184 HydrophobicContact CD1-CD 3.42Å; L126-K184 VanDerWaalsContact CD1-CD 3.42Å; L126-Y468 HydrophobicContact CB-CE1 3.81Å
127P98.5Very high98.6Very high27 Ų2712.7 Ų12.718%0.1757%0.065CC..Hα-helixtrans-55.1-34.2171.5-31.439.1000114.8N123 R131 Y468 C471N123-P127 WeakPolarHBondContact O-CD 3.2Å; N123-P127 WeakPolarHBondContact O-CG 3.5Å; P127-R131 WeakPolarHBondContact O-CB 3.41Å; P127-R131 WeakPolarHBondContact O-CG 3.44Å; P127-R131 PolarHBondContact O-N 3.36Å; P127-Y468 HydrophobicContact CG-CD1 4.35Å; P127-C471 HydrophobicContact CB-CB 4.35Å; P127-C471 VanDerWaalsContact CB-SG 3.57Å
128K98.6Very high98.6Very high12 Ų1218 Ų185%0.0529%0.088CC..Hα-helixtrans-71.4-41.7179.7-70.4-178.7175.3-1590111.4S17 L125 L126 R131 C132 D344 L347 T348S17-K128 PolarHBondContact OG-NZ 3.36Å; L125-K128 WeakPolarHBondContact O-CA 3.41Å; L125-K128 VanDerWaalsContact O-CB 3.32Å; L125-K128 WeakPolarHBondContact O-CB 3.34Å; L125-K128 PolarHBondContact O-N 3.5Å; L126-K128 PolarHBondContact O-N 2.91Å; K128-R131 PolarHBondContact O-N 3.49Å; K128-C132 PolarHBondContact O-N 3.08Å; K128-C132 PolarHBondContact O-SG 2.98Å; K128-D344 WeakPolarHBondContact CD-OD1 3.48Å; K128-D344 VanDerWaalsContact CE-OD1 3.27Å; K128-D344 WeakPolarHBondContact CE-OD1 3.32Å; K128-D344 IonicContact NZ-OD1 3.97Å; K128-D344 PolarHBondContact NZ-OD1 3.48Å; K128-D344 IonicContact NZ-OD2 2.85Å; K128-D344 PolarHBondContact NZ-OD2 3.4Å; K128-D344 VanDerWaalsContact NZ-OD2 3.09Å; K128-L347 HydrophobicContact CB-CB 3.95Å; K128-L347 HydrophobicContact CB-CD1 3.98Å; K128-T348 PolarHBondContact NZ-OG1 3.22Å; K128-T348 VanDerWaalsContact NZ-OG1 3.14Å
129V98.8Very high98.6Very high0 Ų020 Ų200%010%0.096CC..Hα-helixtrans-60.9-49.5173-1790000110L125 L126 R131 C132 I133 L177 L180 L347L125-V129 PolarHBondContact O-N 3.49Å; L126-V129 PolarHBondContact O-N 3.01Å; V129-R131 VanDerWaalsContact C-N 3.3Å; V129-R131 PolarHBondContact O-N 3.31Å; V129-C132 WeakPolarHBondContact O-CB 3.17Å; V129-C132 PolarHBondContact O-N 2.78Å; V129-I133 HydrophobicContact CG1-CD1 3.91Å; V129-I133 WeakPolarHBondContact O-CG1 3.38Å; V129-I133 PolarHBondContact O-N 2.69Å; V129-L177 HydrophobicContact CB-CD1 4.25Å; V129-L177 HydrophobicContact CG1-CB 3.92Å; V129-L177 HydrophobicContact CG1-CD1 4.2Å; V129-L180 HydrophobicContact CG2-CD1 3.95Å; V129-L347 HydrophobicContact CG2-CD1 3.55Å; V129-L347 HydrophobicContact CG2-CD2 3.87Å; V129-L347 HydrophobicContact CG2-CG 4.38Å
130A98.8Very high98.6Very high0 Ų018.1 Ų18.10%09%0.088CC..Hα-helixtrans-58.5-39.5178.300000112.7L126 I133 D134 I465 Y468 L472L126-A130 PolarHBondContact O-N 2.98Å; A130-I133 PolarHBondContact O-N 3.12Å; A130-D134 WeakPolarHBondContact O-CB 3.42Å; A130-D134 PolarHBondContact O-N 3.2Å; A130-I465 HydrophobicContact CB-CB 4.5Å; A130-I465 HydrophobicContact CB-CG2 4.21Å; A130-Y468 HydrophobicContact CB-CD1 4.24Å; A130-Y468 HydrophobicContact CB-CD2 3.69Å; A130-Y468 HydrophobicContact CB-CE2 4.43Å; A130-Y468 HydrophobicContact CB-CG 3.59Å; A130-L472 HydrophobicContact CB-CD2 4.19Å
131R98.7Very high98.6Very high19 Ų1919.6 Ų19.67%0.07210%0.095CC..Hα-helixtrans-65.5-42.1172.7-78.8-167.9-61.9-861.8113P127 K128 V129 I133 D134 R135 Q351 C471 L472 L474P127-R131 WeakPolarHBondContact O-CB 3.41Å; P127-R131 WeakPolarHBondContact O-CG 3.44Å; P127-R131 PolarHBondContact O-N 3.36Å; K128-R131 PolarHBondContact O-N 3.49Å; V129-R131 VanDerWaalsContact C-N 3.3Å; V129-R131 PolarHBondContact O-N 3.31Å; R131-I133 VanDerWaalsContact C-N 3.27Å; R131-I133 PolarHBondContact O-N 3.07Å; R131-D134 PolarHBondContact O-N 2.93Å; R131-R135 WeakPolarHBondContact O-CG 3.33Å; R131-R135 PolarHBondContact O-N 2.97Å; R131-Q351 HydrophobicContact CB-CG 4.28Å; R131-C471 WeakPolarHBondContact CD-O 2.86Å; R131-C471 PolarHBondContact NH1-O 3.37Å; R131-L472 HydrophobicContact CG-CD2 4.17Å; R131-L474 WeakPolarHBondContact CD-O 3.37Å
132C98.8Very high98.6Very high0 Ų025.5 Ų25.50%013%0.126CC..Hα-helixtrans-57.5-45.1174.8-660000110.8K128 V129 R135 L136 L173 L347 L350K128-C132 PolarHBondContact O-N 3.08Å; K128-C132 PolarHBondContact O-SG 2.98Å; V129-C132 WeakPolarHBondContact O-CB 3.17Å; V129-C132 PolarHBondContact O-N 2.78Å; C132-R135 PolarHBondContact O-N 3.3Å; C132-L136 WeakPolarHBondContact O-CB 3.34Å; C132-L136 VanDerWaalsContact O-CG 3.31Å; C132-L136 WeakPolarHBondContact O-CG 3.33Å; C132-L136 PolarHBondContact O-N 3.35Å; C132-L173 HydrophobicContact CB-CD1 4.21Å; C132-L347 PolarHBondContact SG-O 3.43Å; C132-L350 HydrophobicContact CB-CD2 4.22Å; C132-L350 HydrophobicContact CB-CG 4.39Å
133I98.9Very high98.6Very high0 Ų026.9 Ų26.90%013%0.132CC..Hα-helixtrans-59.8-52.4176.3-68.5163.6000110.9V129 A130 R131 R135 L136 A137 I170 L173 L174 L177 V461 I465V129-I133 HydrophobicContact CG1-CD1 3.91Å; V129-I133 WeakPolarHBondContact O-CG1 3.38Å; V129-I133 PolarHBondContact O-N 2.69Å; A130-I133 PolarHBondContact O-N 3.12Å; R131-I133 VanDerWaalsContact C-N 3.27Å; R131-I133 PolarHBondContact O-N 3.07Å; I133-R135 VanDerWaalsContact C-N 3.34Å; I133-R135 PolarHBondContact O-N 3.24Å; I133-L136 PolarHBondContact O-N 3.12Å; I133-A137 VanDerWaalsContact O-CB 3.25Å; I133-A137 WeakPolarHBondContact O-CB 3.49Å; I133-A137 PolarHBondContact O-N 2.76Å; I133-I170 HydrophobicContact CG2-CG2 3.9Å; I133-L173 HydrophobicContact CD1-CB 4.03Å; I133-L173 HydrophobicContact CG1-CB 3.61Å; I133-L173 HydrophobicContact CG1-CD1 4.18Å; I133-L174 HydrophobicContact CD1-CD2 4.07Å; I133-L177 HydrophobicContact CD1-CB 4.24Å; I133-L177 HydrophobicContact CD1-CD2 3.97Å; I133-V461 HydrophobicContact CG2-CG1 3.45Å; I133-V461 VanDerWaalsContact CG2-CG1 3.45Å; I133-I465 HydrophobicContact CB-CG2 4.04Å; I133-I465 HydrophobicContact CD1-CG2 4.3Å; I133-I465 HydrophobicContact CG2-CG2 3.63Å
134D98.7Very high98.6Very high17 Ų1727.1 Ų27.19%0.09113%0.13CC..Hα-helixtrans-56.3-45.6179.7168.589.7000112.4A130 R131 A137 K138 I465 L472A130-D134 WeakPolarHBondContact O-CB 3.42Å; A130-D134 PolarHBondContact O-N 3.2Å; R131-D134 PolarHBondContact O-N 2.93Å; D134-A137 PolarHBondContact O-N 3.41Å; D134-K138 WeakPolarHBondContact O-CG 3.49Å; D134-K138 PolarHBondContact O-N 2.62Å; D134-K138 VanDerWaalsContact OD1-CE 3.25Å; D134-K138 WeakPolarHBondContact OD1-CE 3.41Å; D134-K138 IonicContact OD1-NZ 2.76Å; D134-K138 PolarHBondContact OD1-NZ 3.18Å; D134-K138 WeakPolarHBondContact OD2-CE 3.34Å; D134-K138 IonicContact OD2-NZ 2.65Å; D134-K138 PolarHBondContact OD2-NZ 3.09Å; D134-I465 HydrophobicContact CB-CD1 3.95Å; D134-L472 HydrophobicContact CB-CD1 4.4Å; D134-L472 HydrophobicContact CB-CD2 4.12Å
135R98.4Very high98.6Very high22 Ų2229.7 Ų29.78%0.08315%0.15CC..Hα-helixtrans-66.3-43.1-178.7-62.5-62.9-172.9-87-2.3111.3R131 C132 I133 K139 A354 E355 L472 L474R131-R135 WeakPolarHBondContact O-CG 3.33Å; R131-R135 PolarHBondContact O-N 2.97Å; C132-R135 PolarHBondContact O-N 3.3Å; I133-R135 VanDerWaalsContact C-N 3.34Å; I133-R135 PolarHBondContact O-N 3.24Å; R135-K139 WeakPolarHBondContact O-CG 3.43Å; R135-K139 PolarHBondContact O-N 3.36Å; R135-A354 HydrophobicContact CB-CB 3.72Å; R135-E355 HydrophobicContact CB-CG 4.49Å; R135-E355 HydrophobicContact CG-CG 3.74Å; R135-E355 IonicContact CZ-OE1 3.78Å; R135-E355 IonicContact NE-OE1 3.66Å; R135-E355 PolarHBondContact NE-OE1 3.26Å; R135-E355 IonicContact NH2-OE1 2.81Å; R135-E355 PolarHBondContact NH2-OE1 3.44Å; R135-L472 VanDerWaalsContact CZ-O 3.29Å; R135-L472 PolarHBondContact NH1-O 3.2Å; R135-L472 PolarHBondContact NH2-O 3.33Å; R135-L474 PolarHBondContact NH2-O 3.47Å
136L98.8Very high98.6Very high2 Ų231.3 Ų31.31%0.0116%0.158CC..Hα-helixtrans-67-39.3175.3-70.1175.1000111.5C132 I133 K138 K139 A140 I166 W169 I170 L173 A354C132-L136 WeakPolarHBondContact O-CB 3.34Å; C132-L136 VanDerWaalsContact O-CG 3.31Å; C132-L136 WeakPolarHBondContact O-CG 3.33Å; C132-L136 PolarHBondContact O-N 3.35Å; I133-L136 PolarHBondContact O-N 3.12Å; L136-K138 VanDerWaalsContact C-N 3.35Å; L136-K138 PolarHBondContact O-N 3.11Å; L136-K139 CarbonylContact O-C 3.28Å; L136-K139 PolarHBondContact O-N 3.05Å; L136-K139 VanDerWaalsContact O-N 3.16Å; L136-A140 WeakPolarHBondContact O-CB 3.25Å; L136-A140 PolarHBondContact O-N 3.38Å; L136-I166 HydrophobicContact CB-CG2 3.88Å; L136-I166 HydrophobicContact CD2-CG2 4.14Å; L136-I166 WeakPolarHBondContact O-CG2 3.46Å; L136-W169 HydrophobicContact CD1-CB 4.44Å; L136-W169 HydrophobicContact CD2-CE3 4.1Å; L136-W169 HydrophobicContact CD2-CZ3 4.48Å; L136-I170 HydrophobicContact CB-CD1 3.96Å; L136-I170 HydrophobicContact CB-CG1 3.65Å; L136-I170 HydrophobicContact CD1-CG1 4.41Å; L136-L173 HydrophobicContact CD1-CD1 3.62Å; L136-A354 HydrophobicContact CD2-CB 3.7Å; L136-A354 HydrophobicContact CG-CB 3.87Å
137A98.7Very high98.6Very high10 Ų1032.9 Ų32.98%0.08317%0.167CC..Hα-helixtrans-61.1-42.7177.800000111.8I133 D134 K139 A140 M141 I170 L457 V461I133-A137 VanDerWaalsContact O-CB 3.25Å; I133-A137 WeakPolarHBondContact O-CB 3.49Å; I133-A137 PolarHBondContact O-N 2.76Å; D134-A137 PolarHBondContact O-N 3.41Å; A137-K139 PolarHBondContact O-N 2.99Å; A137-A140 WeakPolarHBondContact O-CB 3.38Å; A137-A140 PolarHBondContact O-N 3.02Å; A137-M141 PolarHBondContact O-N 2.85Å; A137-I170 HydrophobicContact CB-CD1 4.14Å; A137-L457 HydrophobicContact CB-CD2 3.85Å; A137-V461 HydrophobicContact CB-CG1 4.07Å
138K98.2Very high98.5Very high121 Ų12131.6 Ų31.653%0.52616%0.158SC..Hα-helixtrans-60.1-42.9173.6-74.1167.3179.8159.50112.2D134 L136 L142D134-K138 WeakPolarHBondContact O-CG 3.49Å; D134-K138 PolarHBondContact O-N 2.62Å; D134-K138 VanDerWaalsContact OD1-CE 3.25Å; D134-K138 WeakPolarHBondContact OD1-CE 3.41Å; D134-K138 IonicContact OD1-NZ 2.76Å; D134-K138 PolarHBondContact OD1-NZ 3.18Å; D134-K138 WeakPolarHBondContact OD2-CE 3.34Å; D134-K138 IonicContact OD2-NZ 2.65Å; D134-K138 PolarHBondContact OD2-NZ 3.09Å; L136-K138 VanDerWaalsContact C-N 3.35Å; L136-K138 PolarHBondContact O-N 3.11Å; K138-L142 WeakPolarHBondContact O-CB 3.45Å; K138-L142 PolarHBondContact O-N 3.13Å
139K98.2Very high98.5Very high42 Ų4231.3 Ų31.318%0.18316%0.157CC..Hα-helixtrans-67-38.6174.7-65-71.2-179.2170.10111.9R135 L136 A137 L142 H143 I166 A354 L357R135-K139 WeakPolarHBondContact O-CG 3.43Å; R135-K139 PolarHBondContact O-N 3.36Å; L136-K139 CarbonylContact O-C 3.28Å; L136-K139 PolarHBondContact O-N 3.05Å; L136-K139 VanDerWaalsContact O-N 3.16Å; A137-K139 PolarHBondContact O-N 2.99Å; K139-L142 PolarHBondContact O-N 3.22Å; K139-H143 WeakPolarHBondContact O-CB 3.4Å; K139-H143 PolarHBondContact O-CD2 3.5Å; K139-H143 VanDerWaalsContact O-CD2 3.29Å; K139-H143 PolarHBondContact O-N 2.95Å; K139-I166 HydrophobicContact CB-CD1 3.83Å; K139-A354 WeakPolarHBondContact CE-O 3.43Å; K139-L357 PolarHBondContact NZ-O 2.67Å
140A98.8Very high98.5Very high0 Ų032.2 Ų32.20%017%0.165CC..Hα-helixtrans-62.7-47.7177.900000111.1L136 A137 H143 K144 G163 I166 I170 V453 L457L136-A140 WeakPolarHBondContact O-CB 3.25Å; L136-A140 PolarHBondContact O-N 3.38Å; A137-A140 WeakPolarHBondContact O-CB 3.38Å; A137-A140 PolarHBondContact O-N 3.02Å; A140-H143 CarbonylContact O-C 3.54Å; A140-H143 PolarHBondContact O-N 3.48Å; A140-K144 WeakPolarHBondContact O-CA 3.3Å; A140-K144 PolarHBondContact O-N 2.96Å; A140-G163 VanDerWaalsContact O-CA 3.3Å; A140-G163 WeakPolarHBondContact O-CA 3.38Å; A140-I166 HydrophobicContact CB-CB 3.96Å; A140-I166 HydrophobicContact CB-CG2 3.85Å; A140-I170 HydrophobicContact CB-CD1 4.13Å; A140-V453 HydrophobicContact CB-CG1 4.43Å; A140-L457 HydrophobicContact CB-CD1 4.32Å
141M98.6Very high98.4Very high72 Ų7235 Ų3536%0.35518%0.175SC..Hα-helixtrans-63.2-45.1176.6-174.460.895.100111.6A137 H143 K144 L457A137-M141 PolarHBondContact O-N 2.85Å; M141-H143 VanDerWaalsContact C-N 3.26Å; M141-H143 PolarHBondContact O-N 3.33Å; M141-K144 WeakPolarHBondContact O-CG 3.27Å; M141-K144 PolarHBondContact O-N 3.26Å; M141-K144 HydrophobicContact SD-CD 3.82Å; M141-L457 HydrophobicContact CB-CD1 3.88Å; M141-L457 HydrophobicContact CE-CD1 4.26Å
142L98.4Very high98.4Very high125 Ų12538.2 Ų38.265%0.65420%0.197SC*.Hα-helixtrans-58.6-38177.7179.462.9000112.4K138 K139K138-L142 WeakPolarHBondContact O-CB 3.45Å; K138-L142 PolarHBondContact O-N 3.13Å; K139-L142 PolarHBondContact O-N 3.22Å
143H98.5Very high98.3Very high29 Ų2947 Ų4713%0.13424%0.237CC..THydrogen-bonded Turntrans-107.520.1-176.4-60.3-58.4000113.6K139 A140 M141 S145 L146 M162 G163K139-H143 WeakPolarHBondContact O-CB 3.4Å; K139-H143 PolarHBondContact O-CD2 3.5Å; K139-H143 VanDerWaalsContact O-CD2 3.29Å; K139-H143 PolarHBondContact O-N 2.95Å; A140-H143 CarbonylContact O-C 3.54Å; A140-H143 PolarHBondContact O-N 3.48Å; M141-H143 VanDerWaalsContact C-N 3.26Å; M141-H143 PolarHBondContact O-N 3.33Å; H143-S145 PolarHBondContact O-N 3.04Å; H143-S145 VanDerWaalsContact O-N 3.16Å; H143-L146 HydrophobicContact CB-CB 4.13Å; H143-L146 HydrophobicContact CB-CD2 4.39Å; H143-L146 PolarHBondContact O-N 2.99Å; H143-L146 VanDerWaalsContact O-N 3.09Å; H143-M162 HydrophobicContact CB-CB 4.09Å; H143-M162 HydrophobicContact CB-CG 4.27Å; H143-G163 WeakPolarHBondContact O-CA 3.39Å; H143-G163 PolarHBondContact O-N 2.85Å
144K98.6Very high98.2Very high56 Ų5651.3 Ų51.324%0.24326%0.26CS..THydrogen-bonded Turntrans-57.2-33.4-175.170.3179.1179.9-179.50113.7A140 M141 T161 V450 V453 E454A140-K144 WeakPolarHBondContact O-CA 3.3Å; A140-K144 PolarHBondContact O-N 2.96Å; M141-K144 WeakPolarHBondContact O-CG 3.27Å; M141-K144 PolarHBondContact O-N 3.26Å; M141-K144 HydrophobicContact SD-CD 3.82Å; K144-T161 WeakPolarHBondContact O-CB 3.42Å; K144-T161 VanDerWaalsContact O-CG2 3.28Å; K144-T161 WeakPolarHBondContact O-CG2 3.45Å; K144-T161 PolarHBondContact O-OG1 3.14Å; K144-V450 HydrophobicContact CD-CG1 4.03Å; K144-V450 HydrophobicContact CG-CG1 4.12Å; K144-V453 HydrophobicContact CB-CB 4.1Å; K144-V453 HydrophobicContact CB-CG1 3.81Å; K144-V453 HydrophobicContact CB-CG2 4.35Å; K144-E454 HydrophobicContact CD-CG 4.18Å; K144-E454 IonicContact NZ-OE1 3.5Å; K144-E454 PolarHBondContact NZ-OE1 2.95Å
145S98.3Very high98.1Very high69 Ų6956.3 Ų56.348%0.48328%0.283SS..THydrogen-bonded Turntrans-105.83.8-179.1-50.90000113.5H143 I147H143-S145 PolarHBondContact O-N 3.04Å; H143-S145 VanDerWaalsContact O-N 3.16Å; S145-I147 PolarHBondContact O-N 3.35Å; S145-I147 VanDerWaalsContact O-N 3.11Å
146L98.5Very high97.9Very high34 Ų3457.6 Ų57.618%0.17829%0.294CS..  trans-76.1101.6178.1176.859.1000109.4H143 T161 M162 V359 P361 M364H143-L146 HydrophobicContact CB-CB 4.13Å; H143-L146 HydrophobicContact CB-CD2 4.39Å; H143-L146 PolarHBondContact O-N 2.99Å; H143-L146 VanDerWaalsContact O-N 3.09Å; L146-T161 CarbonylContact O-C 3.58Å; L146-T161 WeakPolarHBondContact O-CA 3.41Å; L146-T161 WeakPolarHBondContact O-CB 3.22Å; L146-M162 HydrophobicContact CB-CB 4.31Å; L146-M162 HydrophobicContact CD2-CB 4.12Å; L146-M162 HydrophobicContact CG-CB 4.3Å; L146-M162 PolarHBondContact O-N 3.45Å; L146-V359 HydrophobicContact CD2-CG1 3.51Å; L146-P361 HydrophobicContact CD1-CB 3.78Å; L146-P361 HydrophobicContact CD1-CG 4.29Å; L146-P361 HydrophobicContact CD2-CB 4.43Å; L146-P361 HydrophobicContact CD2-CG 4.15Å; L146-M364 HydrophobicContact CD2-SD 3.76Å; L146-M364 HydrophobicContact CG-SD 4.13Å
147I98.3Very high97.7Very high34 Ų3458.3 Ų58.317%0.17430%0.301CS..EExtended strand (participates in β ladder)trans-69.7134.4-177.6-49.3179.6000110.1S145 P159 T160 L368 P442 I446S145-I147 PolarHBondContact O-N 3.35Å; S145-I147 VanDerWaalsContact O-N 3.11Å; I147-P159 HydrophobicContact CG2-CB 3.96Å; I147-T160 WeakPolarHBondContact CA-O 3.3Å; I147-L368 HydrophobicContact CB-CD2 4.48Å; I147-L368 HydrophobicContact CG2-CD2 3.68Å; I147-P442 HydrophobicContact CD1-CB 4.43Å; I147-P442 HydrophobicContact CD1-CG 4.25Å; I147-P442 HydrophobicContact CG2-CB 4.19Å; I147-I446 HydrophobicContact CB-CG2 4.31Å; I147-I446 HydrophobicContact CD1-CG2 4.18Å; I147-I446 HydrophobicContact CG1-CD1 4.38Å; I147-I446 HydrophobicContact CG1-CG2 3.96Å; I147-I446 HydrophobicContact CG2-CG2 3.59Å
148C98Very high97.4Very high0 Ų063.8 Ų63.80%032%0.324CS..EExtended strand (participates in β ladder)trans-146.2159.617766.10000111.9A150 T160 M364C148-A150 PolarHBondContact O-N 3.25Å; C148-T160 PolarHBondContact N-O 3.33Å; C148-T160 PolarHBondContact O-N 2.96Å; C148-M364 HydrophobicContact CB-CB 4.19Å; C148-M364 HydrophobicContact CB-CG 4.26Å; C148-M364 HydrophobicContact CB-SD 3.91Å
149L97.8Very high97.3Very high6 Ų658.4 Ų58.43%0.03130%0.302CS..EExtended strand (participates in β ladder)trans-65.4122.1177.8-17663.6000110.5P156 R165 L368 E371 L375L149-P156 HydrophobicContact CD1-CB 4.08Å; L149-P156 HydrophobicContact CD2-CB 4.15Å; L149-P156 HydrophobicContact CD2-CG 4.29Å; L149-R165 PolarHBondContact O-NH2 3.11Å; L149-L368 HydrophobicContact CB-CD1 4.41Å; L149-L368 HydrophobicContact CD1-CD1 4.16Å; L149-E371 HydrophobicContact CD1-CB 4.21Å; L149-E371 HydrophobicContact CD2-CB 4.43Å; L149-E371 HydrophobicContact CD2-CG 3.9Å; L149-L375 HydrophobicContact CD1-CD1 3.68Å
150A97.7Very high97.3Very high19 Ų1957 Ų5716%0.15730%0.297CS..EExtended strand (participates in β ladder)trans-80.8158.8169.400000110.6C148 A157 Q158 T160C148-A150 PolarHBondContact O-N 3.25Å; A150-A157 HydrophobicContact CB-CB 4.42Å; A150-A157 PolarHBondContact O-N 3.37Å; A150-Q158 WeakPolarHBondContact CB-O 3.45Å; A150-T160 HydrophobicContact CB-CG2 3.86Å
151R97.7Very high97.3Very high59 Ų5957 Ų5722%0.22330%0.297CS..EExtended strand (participates in β ladder)trans-136.3125.2-178.4-60.6177.2179.588.8-0.9111Q155 F270 E272R151-Q155 WeakPolarHBondContact CA-O 3.47Å; R151-F270 VanDerWaalsContact CZ-CE2 3.49Å; R151-E272 IonicContact CZ-OE1 2.87Å; R151-E272 IonicContact CZ-OE2 2.64Å; R151-E272 IonicContact NH1-OE1 3.74Å; R151-E272 PolarHBondContact NH1-OE1 3.36Å; R151-E272 IonicContact NH1-OE2 3.22Å; R151-E272 PolarHBondContact NH1-OE2 3.27Å; R151-E272 IonicContact NH2-OE1 2.89Å; R151-E272 PolarHBondContact NH2-OE1 3.07Å; R151-E272 IonicContact NH2-OE2 3.93Å
152T97.6Very high97.3Very high86 Ų8653.6 Ų53.653%0.52828%0.28SS..EExtended strand (participates in β ladder)trans-121136.6167.762.90000107.6L154 Q155 A157T152-L154 PolarHBondContact O-N 3.18Å; T152-L154 VanDerWaalsContact O-N 3.11Å; T152-Q155 PolarHBondContact N-O 3.25Å; T152-Q155 WeakPolarHBondContact O-CB 3.43Å; T152-Q155 PolarHBondContact O-N 2.9Å; T152-A157 HydrophobicContact CG2-CB 4.24Å
153H97.5Very high97.3Very high183 Ų18347.6 Ų47.685%0.84725%0.249SC*.THydrogen-bonded Turntrans54.126.9-165.7-51.3-88.1000113.6Q155H153-Q155 PolarHBondContact O-N 3.4Å; H153-Q155 VanDerWaalsContact O-N 3.1Å
154L97.3Very high97.3Very high92 Ų9250.4 Ų50.448%0.48226%0.258SS..THydrogen-bonded Turntrans56.416.6-170.1-156.462.9000114.2T152 L266 F270T152-L154 PolarHBondContact O-N 3.18Å; T152-L154 VanDerWaalsContact O-N 3.11Å; L154-L266 HydrophobicContact CD1-CD1 4.09Å; L154-L266 HydrophobicContact CD1-CD2 4.49Å; L154-L266 HydrophobicContact CD2-CD2 4.32Å; L154-F270 HydrophobicContact CD1-CE2 4.23Å; L154-F270 HydrophobicContact CD1-CZ 3.9Å; L154-F270 HydrophobicContact CG-CZ 4.36Å
155Q95.9Very high97.3Very high121 Ų12149 Ų4957%0.56525%0.251SS*.EExtended strand (participates in β ladder)trans-97.9150.7174.5-63.2-58.2-65.200110.8R151 T152 H153 A157R151-Q155 WeakPolarHBondContact CA-O 3.47Å; T152-Q155 PolarHBondContact N-O 3.25Å; T152-Q155 WeakPolarHBondContact O-CB 3.43Å; T152-Q155 PolarHBondContact O-N 2.9Å; H153-Q155 PolarHBondContact O-N 3.4Å; H153-Q155 VanDerWaalsContact O-N 3.1Å; Q155-A157 PolarHBondContact O-N 3.44Å
156P94.8Very high97.3Very high49 Ų4945.8 Ų45.832%0.31823%0.228SC..EExtended strand (participates in β ladder)trans-48.8128.4172.5-27.735.5000112.4L149 E371L149-P156 HydrophobicContact CD1-CB 4.08Å; L149-P156 HydrophobicContact CD2-CB 4.15Å; L149-P156 HydrophobicContact CD2-CG 4.29Å; P156-E371 HydrophobicContact CB-CB 4.13Å; P156-E371 HydrophobicContact CB-CG 3.84Å; P156-E371 VanDerWaalsContact CG-CD 3.42Å; P156-E371 HydrophobicContact CG-CG 3.7Å
157A94.4Very high97.3Very high18 Ų1844.7 Ų44.715%0.14922%0.224CC..EExtended strand (participates in β ladder)trans-133.1177.6176.800000110.5A150 T152 Q155A150-A157 HydrophobicContact CB-CB 4.42Å; A150-A157 PolarHBondContact O-N 3.37Å; T152-A157 HydrophobicContact CG2-CB 4.24Å; Q155-A157 PolarHBondContact O-N 3.44Å
158Q92.3Very high97.4Very high124 Ų12446.7 Ų46.758%0.57923%0.233SC*.EExtended strand (participates in β ladder)trans-49.6137.5179.2-74.5-175.3-14.700111.6A150A150-Q158 WeakPolarHBondContact CB-O 3.45Å
159P96.1Very high97.4Very high8 Ų846.8 Ų46.85%0.05223%0.234CC..EExtended strand (participates in β ladder)trans-56.5151.9-176.4-25.235.9000113.5I147 L368 L375 M445 I446I147-P159 HydrophobicContact CG2-CB 3.96Å; P159-L368 HydrophobicContact CB-CD1 4.21Å; P159-L368 HydrophobicContact CG-CD1 3.75Å; P159-L375 HydrophobicContact CG-CD1 4.23Å; P159-M445 HydrophobicContact CB-CB 4.4Å; P159-M445 HydrophobicContact CG-CB 3.93Å; P159-M445 HydrophobicContact CG-CE 4.33Å; P159-M445 HydrophobicContact CG-SD 4.26Å; P159-I446 HydrophobicContact CB-CG2 4.26Å
160T98Very high97.5Very high13 Ų1346.5 Ų46.58%0.0823%0.232CC..EExtended strand (participates in β ladder)trans-132.3-170171.5-164.80000109.2I147 C148 A150 R164I147-T160 WeakPolarHBondContact CA-O 3.3Å; C148-T160 PolarHBondContact N-O 3.33Å; C148-T160 PolarHBondContact O-N 2.96Å; A150-T160 HydrophobicContact CB-CG2 3.86Å; T160-R164 WeakPolarHBondContact OG1-CD 3.26Å
161T98.7Very high97.5Very high0 Ų050.4 Ų50.40%025%0.247CC..EExtended strand (participates in β ladder)trans-113.4150.316969.60000111.2K144 L146 G163 R164 R165 I446 A449 V450K144-T161 WeakPolarHBondContact O-CB 3.42Å; K144-T161 VanDerWaalsContact O-CG2 3.28Å; K144-T161 WeakPolarHBondContact O-CG2 3.45Å; K144-T161 PolarHBondContact O-OG1 3.14Å; L146-T161 CarbonylContact O-C 3.58Å; L146-T161 WeakPolarHBondContact O-CA 3.41Å; L146-T161 WeakPolarHBondContact O-CB 3.22Å; T161-G163 VanDerWaalsContact C-N 3.25Å; T161-G163 PolarHBondContact O-N 3.28Å; T161-R164 PolarHBondContact O-N 3.45Å; T161-R164 WeakPolarHBondContact OG1-CB 3.37Å; T161-R164 PolarHBondContact OG1-N 2.94Å; T161-R165 PolarHBondContact O-N 3.25Å; T161-I446 HydrophobicContact CG2-CB 4.27Å; T161-I446 HydrophobicContact CG2-CD1 3.84Å; T161-I446 HydrophobicContact CG2-CG2 4.2Å; T161-A449 HydrophobicContact CG2-CB 3.85Å; T161-V450 HydrophobicContact CG2-CG2 4.49Å
162M98.6Very high97.6Very high0 Ų049.8 Ų49.80%025%0.248CC..Hα-helixtrans-60.7-39.2177.6-175.860.9-163.900110.7H143 L146 R164 R165 I166 W169 L267 V273 M364H143-M162 HydrophobicContact CB-CB 4.09Å; H143-M162 HydrophobicContact CB-CG 4.27Å; L146-M162 HydrophobicContact CB-CB 4.31Å; L146-M162 HydrophobicContact CD2-CB 4.12Å; L146-M162 HydrophobicContact CG-CB 4.3Å; L146-M162 PolarHBondContact O-N 3.45Å; M162-R164 PolarHBondContact O-N 3.49Å; M162-R165 WeakPolarHBondContact O-CB 3.23Å; M162-R165 PolarHBondContact O-N 3.34Å; M162-I166 HydrophobicContact CE-CD1 3.98Å; M162-I166 HydrophobicContact CE-CG1 3.85Å; M162-I166 HydrophobicContact CG-CD1 4.37Å; M162-I166 WeakPolarHBondContact O-CG1 3.49Å; M162-I166 PolarHBondContact O-N 3.48Å; M162-W169 HydrophobicContact CE-CH2 3.92Å; M162-W169 HydrophobicContact CE-CZ3 4.42Å; M162-L267 HydrophobicContact CE-CD1 4.19Å; M162-V273 HydrophobicContact CE-CG2 3.82Å; M162-V273 HydrophobicContact SD-CG2 4.38Å; M162-M364 HydrophobicContact CB-CE 4.37Å; M162-M364 HydrophobicContact CB-SD 4.36Å; M162-M364 HydrophobicContact CG-CE 3.97Å; M162-M364 HydrophobicContact SD-CE 3.63Å
163G98.7Very high97.6Very high0 Ų045.7 Ų45.70%022%0.223CC..Hα-helixtrans-60-44.8174.600000113A140 H143 T161 R165 I166 C167A140-G163 VanDerWaalsContact O-CA 3.3Å; A140-G163 WeakPolarHBondContact O-CA 3.38Å; H143-G163 WeakPolarHBondContact O-CA 3.39Å; H143-G163 PolarHBondContact O-N 2.85Å; T161-G163 VanDerWaalsContact C-N 3.25Å; T161-G163 PolarHBondContact O-N 3.28Å; G163-R165 VanDerWaalsContact C-N 3.31Å; G163-R165 PolarHBondContact O-N 3.25Å; G163-I166 PolarHBondContact O-N 2.81Å; G163-I166 VanDerWaalsContact O-N 3.11Å; G163-C167 PolarHBondContact O-N 3.02Å; G163-C167 PolarHBondContact O-SG 3.44Å; G163-C167 VanDerWaalsContact O-SG 3.38Å
164R98.7Very high97.7Very high88 Ų8837.4 Ų37.433%0.33219%0.185SC..Hα-helixtrans-66.2-32.1177.2-174.8-104.4172.5-140.9-1112.6T160 T161 M162 C167 M168 A449 V453T160-R164 WeakPolarHBondContact OG1-CD 3.26Å; T161-R164 PolarHBondContact O-N 3.45Å; T161-R164 WeakPolarHBondContact OG1-CB 3.37Å; T161-R164 PolarHBondContact OG1-N 2.94Å; M162-R164 PolarHBondContact O-N 3.49Å; R164-C167 PolarHBondContact O-N 2.84Å; R164-M168 PolarHBondContact NH1-SD 3.43Å; R164-M168 PolarHBondContact O-N 3.4Å; R164-A449 HydrophobicContact CB-CB 4.09Å; R164-A449 HydrophobicContact CG-CB 4.25Å; R164-V453 HydrophobicContact CB-CG2 3.81Å; R164-V453 VanDerWaalsContact N-CG2 3.32Å
165R98.7Very high97.8Very high27 Ų2737.2 Ų37.210%0.10218%0.184CC..Hα-helixtrans-63-43.9170.3178.8175.5-66.3152.83.1111.5L149 T161 M162 G163 C167 M168 W169 L267 E272L149-R165 PolarHBondContact O-NH2 3.11Å; T161-R165 PolarHBondContact O-N 3.25Å; M162-R165 WeakPolarHBondContact O-CB 3.23Å; M162-R165 PolarHBondContact O-N 3.34Å; G163-R165 VanDerWaalsContact C-N 3.31Å; G163-R165 PolarHBondContact O-N 3.25Å; R165-C167 VanDerWaalsContact C-N 3.3Å; R165-C167 PolarHBondContact O-N 3.3Å; R165-M168 WeakPolarHBondContact O-CB 3.22Å; R165-M168 PolarHBondContact O-N 3.46Å; R165-W169 HydrophobicContact CG-CZ2 4.2Å; R165-L267 VanDerWaalsContact NH1-CD2 3.25Å; R165-E272 IonicContact NH1-OE2 3.77Å
166I98.8Very high97.9Very high0 Ų031.7 Ų31.70%016%0.158CC..Hα-helixtrans-64.2-36.1177.3-62.7171.4000110.9L136 K139 A140 M162 G163 M168 W169 I170L136-I166 HydrophobicContact CB-CG2 3.88Å; L136-I166 HydrophobicContact CD2-CG2 4.14Å; L136-I166 WeakPolarHBondContact O-CG2 3.46Å; K139-I166 HydrophobicContact CB-CD1 3.83Å; A140-I166 HydrophobicContact CB-CB 3.96Å; A140-I166 HydrophobicContact CB-CG2 3.85Å; M162-I166 HydrophobicContact CE-CD1 3.98Å; M162-I166 HydrophobicContact CE-CG1 3.85Å; M162-I166 HydrophobicContact CG-CD1 4.37Å; M162-I166 WeakPolarHBondContact O-CG1 3.49Å; M162-I166 PolarHBondContact O-N 3.48Å; G163-I166 PolarHBondContact O-N 2.81Å; G163-I166 VanDerWaalsContact O-N 3.11Å; I166-M168 PolarHBondContact O-N 3.18Å; I166-W169 HydrophobicContact CB-CE3 4.21Å; I166-W169 HydrophobicContact CB-CZ3 4.48Å; I166-W169 HydrophobicContact CG1-CE3 3.98Å; I166-W169 HydrophobicContact CG1-CH2 4.36Å; I166-W169 HydrophobicContact CG1-CZ3 3.75Å; I166-W169 HydrophobicContact CG2-CE3 4.06Å; I166-W169 WeakPolarHBondContact O-CA 3.36Å; I166-W169 VanDerWaalsContact O-CB 3.26Å; I166-W169 WeakPolarHBondContact O-CB 3.3Å; I166-W169 PolarHBondContact O-N 3.37Å; I166-I170 HydrophobicContact CG2-CD1 4.02Å; I166-I170 HydrophobicContact CG2-CG1 4.32Å; I166-I170 PolarHBondContact O-N 3.24Å; I166-I170 VanDerWaalsContact O-N 3.08Å
167C98.9Very high98.1Very high12 Ų1229.4 Ų29.48%0.08114%0.144CC..Hα-helixtrans-58.2-33175.5-67.60000113.4G163 R164 R165 W169 I170 Q171 F456G163-C167 PolarHBondContact O-N 3.02Å; G163-C167 PolarHBondContact O-SG 3.44Å; G163-C167 VanDerWaalsContact O-SG 3.38Å; R164-C167 PolarHBondContact O-N 2.84Å; R165-C167 VanDerWaalsContact C-N 3.3Å; R165-C167 PolarHBondContact O-N 3.3Å; C167-W169 VanDerWaalsContact C-N 3.27Å; C167-W169 PolarHBondContact O-N 2.9Å; C167-I170 PolarHBondContact O-N 3.03Å; C167-Q171 PolarHBondContact O-N 2.97Å; C167-F456 HydrophobicContact CB-CD1 3.77Å; C167-F456 HydrophobicContact CB-CE1 3.97Å
168M98.7Very high98.3Very high76 Ų7634.1 Ų34.137%0.37416%0.162SC..Hα-helixtrans-62.1-36.7173.7-63.417657.900112R164 R165 I166R164-M168 PolarHBondContact NH1-SD 3.43Å; R164-M168 PolarHBondContact O-N 3.4Å; R165-M168 WeakPolarHBondContact O-CB 3.22Å; R165-M168 PolarHBondContact O-N 3.46Å; I166-M168 PolarHBondContact O-N 3.18Å
169W98.9Very high98.6Very high1 Ų130.3 Ų30.30%0.00415%0.146CC..Hα-helixtrans-69.2-40176.1-55.8-19.8000111.7L136 M162 R165 I166 C167 Q171 L173 I260 D263 I264 L267 L357L136-W169 HydrophobicContact CD1-CB 4.44Å; L136-W169 HydrophobicContact CD2-CE3 4.1Å; L136-W169 HydrophobicContact CD2-CZ3 4.48Å; M162-W169 HydrophobicContact CE-CH2 3.92Å; M162-W169 HydrophobicContact CE-CZ3 4.42Å; R165-W169 HydrophobicContact CG-CZ2 4.2Å; I166-W169 HydrophobicContact CB-CE3 4.21Å; I166-W169 HydrophobicContact CB-CZ3 4.48Å; I166-W169 HydrophobicContact CG1-CE3 3.98Å; I166-W169 HydrophobicContact CG1-CH2 4.36Å; I166-W169 HydrophobicContact CG1-CZ3 3.75Å; I166-W169 HydrophobicContact CG2-CE3 4.06Å; I166-W169 WeakPolarHBondContact O-CA 3.36Å; I166-W169 VanDerWaalsContact O-CB 3.26Å; I166-W169 WeakPolarHBondContact O-CB 3.3Å; I166-W169 PolarHBondContact O-N 3.37Å; C167-W169 VanDerWaalsContact C-N 3.27Å; C167-W169 PolarHBondContact O-N 2.9Å; W169-Q171 VanDerWaalsContact C-N 3.35Å; W169-L173 PolarHBondContact O-N 3.38Å; W169-I260 HydrophobicContact CB-CD1 3.78Å; W169-I260 HydrophobicContact CB-CG1 3.67Å; W169-I260 HydrophobicContact CB-CG2 4.4Å; W169-I260 HydrophobicContact CD2-CG2 3.96Å; W169-I260 HydrophobicContact CE3-CG2 4.08Å; W169-I260 HydrophobicContact CG-CB 4.4Å; W169-I260 HydrophobicContact CG-CD1 4.42Å; W169-I260 HydrophobicContact CG-CG1 3.79Å; W169-I260 HydrophobicContact CG-CG2 4.1Å; W169-D263 HydrophobicContact CZ2-CB 3.84Å; W169-D263 PolarHBondContact NE1-OD2 2.87Å; W169-I264 HydrophobicContact CH2-CG1 3.89Å; W169-I264 HydrophobicContact CZ2-CG1 4.38Å; W169-I264 HydrophobicContact CZ3-CD1 4.45Å; W169-I264 HydrophobicContact CZ3-CG1 4.31Å; W169-L267 HydrophobicContact CH2-CD1 4.12Å; W169-L267 HydrophobicContact CZ2-CD1 4.09Å; W169-L357 HydrophobicContact CZ3-CD2 4.34Å
170I98.9Very high98.7Very high0 Ų030 Ų300%014%0.144CC..Hα-helixtrans-66.4-39.2178.9-63.1166.4000110.9I133 L136 A137 A140 I166 C167 D172 L173 L174 F456 L457 V461I133-I170 HydrophobicContact CG2-CG2 3.9Å; L136-I170 HydrophobicContact CB-CD1 3.96Å; L136-I170 HydrophobicContact CB-CG1 3.65Å; L136-I170 HydrophobicContact CD1-CG1 4.41Å; A137-I170 HydrophobicContact CB-CD1 4.14Å; A140-I170 HydrophobicContact CB-CD1 4.13Å; I166-I170 HydrophobicContact CG2-CD1 4.02Å; I166-I170 HydrophobicContact CG2-CG1 4.32Å; I166-I170 PolarHBondContact O-N 3.24Å; I166-I170 VanDerWaalsContact O-N 3.08Å; C167-I170 PolarHBondContact O-N 3.03Å; I170-D172 VanDerWaalsContact C-N 3.33Å; I170-D172 PolarHBondContact O-N 2.62Å; I170-L173 CarbonylContact O-C 3.51Å; I170-L173 WeakPolarHBondContact O-CB 3.08Å; I170-L173 PolarHBondContact O-N 3.3Å; I170-L173 VanDerWaalsContact O-N 3.1Å; I170-L174 HydrophobicContact CG2-CD1 4.49Å; I170-L174 HydrophobicContact CG2-CG 4.33Å; I170-L174 PolarHBondContact O-N 2.85Å; I170-F456 HydrophobicContact CB-CE1 3.9Å; I170-F456 HydrophobicContact CB-CZ 4.28Å; I170-F456 HydrophobicContact CG2-CE1 3.73Å; I170-F456 HydrophobicContact CG2-CZ 3.94Å; I170-L457 HydrophobicContact CD1-CD2 4.08Å; I170-V461 HydrophobicContact CG2-CG1 4.48Å; I170-V461 HydrophobicContact CG2-CG2 3.54Å
171Q98.8Very high98.7Very high101 Ų10131.8 Ų31.847%0.47215%0.151SC..Hα-helixtrans-58.6-44179.6-168-178-84.800112.2C167 W169 L173 L174 L175 F456C167-Q171 PolarHBondContact O-N 2.97Å; W169-Q171 VanDerWaalsContact C-N 3.35Å; Q171-L173 VanDerWaalsContact C-N 3.32Å; Q171-L173 PolarHBondContact O-N 2.94Å; Q171-L174 PolarHBondContact O-N 3.28Å; Q171-L175 PolarHBondContact O-N 2.93Å; Q171-F456 HydrophobicContact CB-CE2 4.35Å; Q171-F456 HydrophobicContact CB-CZ 4Å; Q171-F456 HydrophobicContact CG-CE2 4.41Å
172D98.9Very high98.7Very high47 Ų4736 Ų3625%0.25117%0.167SC..Hα-helixtrans-63.9-38.8176.2-68.2-8.7000111.2I170 L174 L175 D176 T256I170-D172 VanDerWaalsContact C-N 3.33Å; I170-D172 PolarHBondContact O-N 2.62Å; D172-L174 PolarHBondContact O-N 2.77Å; D172-L175 PolarHBondContact O-N 3.39Å; D172-D176 PolarHBondContact O-N 2.74Å; D172-D176 VanDerWaalsContact O-N 3.1Å; D172-T256 HydrophobicContact CB-CG2 3.61Å
173L98.9Very high98.7Very high0 Ų036 Ų360%017%0.167CC..Hα-helixtrans-68.3-30.7176.1-70.5168.3000113.5C132 I133 L136 W169 I170 Q171 D176 L177 T256 I260 L350C132-L173 HydrophobicContact CB-CD1 4.21Å; I133-L173 HydrophobicContact CD1-CB 4.03Å; I133-L173 HydrophobicContact CG1-CB 3.61Å; I133-L173 HydrophobicContact CG1-CD1 4.18Å; L136-L173 HydrophobicContact CD1-CD1 3.62Å; W169-L173 PolarHBondContact O-N 3.38Å; I170-L173 CarbonylContact O-C 3.51Å; I170-L173 WeakPolarHBondContact O-CB 3.08Å; I170-L173 PolarHBondContact O-N 3.3Å; I170-L173 VanDerWaalsContact O-N 3.1Å; Q171-L173 VanDerWaalsContact C-N 3.32Å; Q171-L173 PolarHBondContact O-N 2.94Å; L173-D176 PolarHBondContact O-N 3.26Å; L173-L177 WeakPolarHBondContact O-CB 3.44Å; L173-L177 PolarHBondContact O-N 3.03Å; L173-T256 HydrophobicContact CD2-CG2 3.69Å; L173-T256 HydrophobicContact CG-CG2 3.82Å; L173-I260 HydrophobicContact CD1-CD1 4.09Å; L173-I260 HydrophobicContact CG-CD1 4.14Å; L173-L350 HydrophobicContact CD1-CD2 4.23Å; L173-L350 HydrophobicContact CD2-CD2 4.07Å
174L98.8Very high98.6Very high8 Ų838.9 Ų38.94%0.04218%0.18CC..Hα-helixtrans-64.7-43.6173.5-73.3175.2000110.7I133 I170 Q171 D172 D176 L177 E178 F456 E460 V461 A464I133-L174 HydrophobicContact CD1-CD2 4.07Å; I170-L174 HydrophobicContact CG2-CD1 4.49Å; I170-L174 HydrophobicContact CG2-CG 4.33Å; I170-L174 PolarHBondContact O-N 2.85Å; Q171-L174 PolarHBondContact O-N 3.28Å; D172-L174 PolarHBondContact O-N 2.77Å; L174-D176 VanDerWaalsContact C-N 3.27Å; L174-D176 PolarHBondContact O-N 3.43Å; L174-L177 WeakPolarHBondContact O-CB 3.24Å; L174-L177 PolarHBondContact O-N 3.23Å; L174-L177 VanDerWaalsContact O-N 3.15Å; L174-E178 WeakPolarHBondContact O-CG 3.41Å; L174-E178 PolarHBondContact O-N 3.33Å; L174-F456 HydrophobicContact CD1-CE2 3.77Å; L174-F456 HydrophobicContact CD1-CZ 3.59Å; L174-E460 HydrophobicContact CD1-CB 4.14Å; L174-V461 HydrophobicContact CD1-CG2 4.01Å; L174-A464 HydrophobicContact CD2-CB 3.56Å
175L98.8Very high98.5Very high88 Ų8838.5 Ų38.546%0.46119%0.185SC..Hα-helixtrans-60.9-38.6174.2-66172.7000111.5Q171 D172 N179Q171-L175 PolarHBondContact O-N 2.93Å; D172-L175 PolarHBondContact O-N 3.39Å; L175-N179 WeakPolarHBondContact O-CB 3.49Å; L175-N179 PolarHBondContact O-N 3.46Å; L175-N179 VanDerWaalsContact O-N 3.07Å; L175-N179 PolarHBondContact O-ND2 3.35Å
176D98.9Very high98.3Very high5 Ų543.2 Ų43.23%0.02721%0.207CC..Hα-helixtrans-64.8-44.2174-71.6-38.9000111.9D172 L173 L174 N179 L180 N252 I253 T256D172-D176 PolarHBondContact O-N 2.74Å; D172-D176 VanDerWaalsContact O-N 3.1Å; L173-D176 PolarHBondContact O-N 3.26Å; L174-D176 VanDerWaalsContact C-N 3.27Å; L174-D176 PolarHBondContact O-N 3.43Å; D176-N179 PolarHBondContact O-N 3.43Å; D176-L180 WeakPolarHBondContact O-CG 3.39Å; D176-L180 PolarHBondContact O-N 2.95Å; D176-N252 WeakPolarHBondContact OD1-CB 3.47Å; D176-I253 HydrophobicContact CB-CG1 3.81Å; D176-I253 PolarHBondContact OD1-N 2.96Å; D176-T256 WeakPolarHBondContact OD2-CB 3.45Å; D176-T256 WeakPolarHBondContact OD2-CG2 3.41Å; D176-T256 PolarHBondContact OD2-OG1 2.93Å
177L98.8Very high98.2Very high2 Ų244.2 Ų44.21%0.0121%0.213CC..Hα-helixtrans-59.5-51.3177.9-17764.3000111L126 V129 I133 L173 L174 N179 L180 E181 A464 I465 Y468L126-L177 HydrophobicContact CD2-CD1 3.68Å; V129-L177 HydrophobicContact CB-CD1 4.25Å; V129-L177 HydrophobicContact CG1-CB 3.92Å; V129-L177 HydrophobicContact CG1-CD1 4.2Å; I133-L177 HydrophobicContact CD1-CB 4.24Å; I133-L177 HydrophobicContact CD1-CD2 3.97Å; L173-L177 WeakPolarHBondContact O-CB 3.44Å; L173-L177 PolarHBondContact O-N 3.03Å; L174-L177 WeakPolarHBondContact O-CB 3.24Å; L174-L177 PolarHBondContact O-N 3.23Å; L174-L177 VanDerWaalsContact O-N 3.15Å; L177-N179 VanDerWaalsContact C-N 3.28Å; L177-N179 PolarHBondContact O-N 3.11Å; L177-L180 PolarHBondContact O-N 2.95Å; L177-E181 WeakPolarHBondContact O-CG 3.44Å; L177-E181 PolarHBondContact O-N 3.25Å; L177-A464 HydrophobicContact CD2-CB 4.35Å; L177-I465 HydrophobicContact CD2-CG2 4.39Å; L177-Y468 HydrophobicContact CD1-CE2 4Å; L177-Y468 HydrophobicContact CD2-CE2 4.37Å
178E98.5Very high98.1Very high116 Ų11644 Ų4454%0.54221%0.211SC..Hα-helixtrans-57.2-41.8177.1-72.4177.1-17300111.9L174 E181 R182L174-E178 WeakPolarHBondContact O-CG 3.41Å; L174-E178 PolarHBondContact O-N 3.33Å; E178-E181 PolarHBondContact O-N 3.07Å; E178-R182 WeakPolarHBondContact O-CB 3.39Å; E178-R182 PolarHBondContact O-N 3.02Å
179N98.5Very high98Very high45 Ų4544.3 Ų44.324%0.24121%0.208CC..Hα-helixtrans-63.8-45.1177.6-83.6-49.9000112.2L175 D176 L177 E181 R182 L183 A249L175-N179 WeakPolarHBondContact O-CB 3.49Å; L175-N179 PolarHBondContact O-N 3.46Å; L175-N179 VanDerWaalsContact O-N 3.07Å; L175-N179 PolarHBondContact O-ND2 3.35Å; D176-N179 PolarHBondContact O-N 3.43Å; L177-N179 VanDerWaalsContact C-N 3.28Å; L177-N179 PolarHBondContact O-N 3.11Å; N179-E181 VanDerWaalsContact C-N 3.35Å; N179-R182 PolarHBondContact O-N 3.16Å; N179-L183 WeakPolarHBondContact O-CG 3.16Å; N179-L183 PolarHBondContact O-N 2.95Å; N179-A249 HydrophobicContact CB-CB 4.3Å
180L98.8Very high98Very high0 Ų044.3 Ų44.30%021%0.208CC..Hα-helixtrans-65-39176.7-66.9-167.9000112L122 L125 L126 V129 D176 L177 L183 K184 A249 L250 I253L122-L180 HydrophobicContact CD2-CD2 3.88Å; L125-L180 HydrophobicContact CB-CD1 4.05Å; L126-L180 HydrophobicContact CD2-CB 3.43Å; L126-L180 VanDerWaalsContact CD2-CB 3.43Å; L126-L180 HydrophobicContact CD2-CD1 4.22Å; L126-L180 HydrophobicContact CD2-CG 4.49Å; L126-L180 HydrophobicContact CG-CB 4.1Å; L126-L180 HydrophobicContact CG-CD1 4.49Å; V129-L180 HydrophobicContact CG2-CD1 3.95Å; D176-L180 WeakPolarHBondContact O-CG 3.39Å; D176-L180 PolarHBondContact O-N 2.95Å; L177-L180 PolarHBondContact O-N 2.95Å; L180-L183 HydrophobicContact CD2-CD1 4.4Å; L180-L183 PolarHBondContact O-N 3.37Å; L180-K184 WeakPolarHBondContact O-CB 3.27Å; L180-K184 PolarHBondContact O-N 3.49Å; L180-A249 HydrophobicContact CD2-CB 4.26Å; L180-L250 HydrophobicContact CD2-CD2 4.07Å; L180-I253 HydrophobicContact CD1-CD1 3.84Å; L180-I253 HydrophobicContact CD2-CD1 4.03Å; L180-I253 HydrophobicContact CG-CD1 4.13Å
181E98.4Very high98Very high51 Ų5144.3 Ų44.324%0.23821%0.209CC..Hα-helixtrans-65-43.7176.4-72-172.9152.500111.7L126 L177 E178 N179 L183 K184 N185 Y468L126-E181 HydrophobicContact CD2-CG 3.61Å; L177-E181 WeakPolarHBondContact O-CG 3.44Å; L177-E181 PolarHBondContact O-N 3.25Å; E178-E181 PolarHBondContact O-N 3.07Å; N179-E181 VanDerWaalsContact C-N 3.35Å; E181-L183 VanDerWaalsContact C-N 3.3Å; E181-L183 PolarHBondContact O-N 3.04Å; E181-K184 PolarHBondContact O-N 2.66Å; E181-N185 VanDerWaalsContact O-CB 3.29Å; E181-N185 WeakPolarHBondContact O-CB 3.41Å; E181-N185 VanDerWaalsContact O-CG 3.31Å; E181-N185 PolarHBondContact O-N 3.04Å; E181-N185 PolarHBondContact O-ND2 3.29Å; E181-Y468 VanDerWaalsContact OE1-CE2 3.27Å; E181-Y468 WeakPolarHBondContact OE1-CE2 3.19Å; E181-Y468 PolarHBondContact OE1-OH 2.96Å
182R98.2Very high98Very high88 Ų8839.5 Ų39.533%0.33219%0.186SC..Hα-helixtrans-56.5-45.8173179.4-173.664.185.2-2.7111.2E178 N179 H186 T187 E245E178-R182 WeakPolarHBondContact O-CB 3.39Å; E178-R182 PolarHBondContact O-N 3.02Å; N179-R182 PolarHBondContact O-N 3.16Å; R182-H186 WeakPolarHBondContact O-CA 3.28Å; R182-H186 WeakPolarHBondContact O-CB 3.42Å; R182-H186 PolarHBondContact O-N 3.34Å; R182-T187 PolarHBondContact O-N 3.43Å; R182-E245 IonicContact CZ-OE2 3.12Å; R182-E245 IonicContact NH1-OE2 3.2Å; R182-E245 PolarHBondContact NH1-OE2 3.26Å; R182-E245 IonicContact NH2-OE2 3.77Å; R182-E245 PolarHBondContact NH2-OE2 2.85Å
183L98.2Very high97.9Very high0 Ų037.3 Ų37.30%017%0.174CC..Iπ-helixtrans-60.3-50.2178.4-71.2177.3000111.8L122 N179 L180 E181 N185 T187 I188 E245 I246 A249L122-L183 HydrophobicContact CD1-CB 3.82Å; L122-L183 HydrophobicContact CD2-CD1 4.46Å; N179-L183 WeakPolarHBondContact O-CG 3.16Å; N179-L183 PolarHBondContact O-N 2.95Å; L180-L183 HydrophobicContact CD2-CD1 4.4Å; L180-L183 PolarHBondContact O-N 3.37Å; E181-L183 VanDerWaalsContact C-N 3.3Å; E181-L183 PolarHBondContact O-N 3.04Å; L183-N185 PolarHBondContact O-N 2.78Å; L183-T187 HydrophobicContact CD2-CG2 3.98Å; L183-T187 PolarHBondContact O-N 2.9Å; L183-I188 PolarHBondContact O-N 2.92Å; L183-E245 HydrophobicContact CD2-CB 3.74Å; L183-I246 HydrophobicContact CD1-CG1 4.33Å; L183-I246 HydrophobicContact CD2-CG1 4.45Å; L183-A249 HydrophobicContact CD1-CB 3.4Å; L183-A249 HydrophobicContact CG-CB 4.38Å
184K97.3Very high97.9Very high61 Ų6137.5 Ų37.527%0.26518%0.175SC..Iπ-helixtrans-61.4-43.8-179.3173.2-177161.2172.20112.4L122 N123 L126 L180 E181L122-K184 HydrophobicContact CB-CB 4.48Å; L122-K184 HydrophobicContact CD1-CB 4Å; N123-K184 VanDerWaalsContact OD1-CD 3.29Å; N123-K184 WeakPolarHBondContact OD1-CD 3.16Å; N123-K184 WeakPolarHBondContact OD1-CE 3.2Å; N123-K184 PolarHBondContact OD1-NZ 2.91Å; L126-K184 HydrophobicContact CD1-CB 4.38Å; L126-K184 HydrophobicContact CD1-CD 3.42Å; L126-K184 VanDerWaalsContact CD1-CD 3.42Å; L180-K184 WeakPolarHBondContact O-CB 3.27Å; L180-K184 PolarHBondContact O-N 3.49Å; E181-K184 PolarHBondContact O-N 2.66Å
185N95.2Very high97.9Very high81 Ų8137.2 Ų37.243%0.43317%0.174SC..Iπ-helixtrans-92.2-25.6-168.8-63.8-29.4000113.5E181 L183E181-N185 VanDerWaalsContact O-CB 3.29Å; E181-N185 WeakPolarHBondContact O-CB 3.41Å; E181-N185 VanDerWaalsContact O-CG 3.31Å; E181-N185 PolarHBondContact O-N 3.04Å; E181-N185 PolarHBondContact O-ND2 3.29Å; L183-N185 PolarHBondContact O-N 2.78Å
186H95Very high97.8Very high125 Ų12535.3 Ų35.358%0.57917%0.171SC*.Iπ-helixtrans-130.2-27.9-168.8-55.8-48.1000115R182 R189R182-H186 WeakPolarHBondContact O-CA 3.28Å; R182-H186 WeakPolarHBondContact O-CB 3.42Å; R182-H186 PolarHBondContact O-N 3.34Å; H186-R189 PolarHBondContact O-NE 3.14Å; H186-R189 PolarHBondContact O-NH2 3.47Å
187T96.6Very high97.8Very high21 Ų2138.7 Ų38.713%0.12919%0.192CC..Iπ-helixtrans-94.3-51.5-175.6-52.40000112.9R182 L183 R189 V242 E245R182-T187 PolarHBondContact O-N 3.43Å; L183-T187 HydrophobicContact CD2-CG2 3.98Å; L183-T187 PolarHBondContact O-N 2.9Å; T187-R189 PolarHBondContact O-N 3.35Å; T187-V242 HydrophobicContact CG2-CG1 4.47Å; T187-E245 HydrophobicContact CG2-CB 3.96Å; T187-E245 HydrophobicContact CG2-CG 4.11Å
188I96.8Very high97.7Very high8 Ų839.3 Ų39.34%0.04120%0.199CC..  trans-75.1117.7-178.9-53.4-172.5000109.1L115 L118 L122 L183 F227 V242 I246L115-I188 HydrophobicContact CB-CG2 4.48Å; L115-I188 HydrophobicContact CD2-CG2 3.75Å; L118-I188 HydrophobicContact CB-CD1 4.1Å; L122-I188 HydrophobicContact CD1-CD1 3.48Å; L122-I188 VanDerWaalsContact CD1-CD1 3.48Å; L122-I188 HydrophobicContact CD1-CG1 4.36Å; L122-I188 HydrophobicContact CG-CD1 4.41Å; L183-I188 PolarHBondContact O-N 2.92Å; I188-F227 HydrophobicContact CB-CE1 4.37Å; I188-F227 HydrophobicContact CG2-CE1 3.61Å; I188-F227 HydrophobicContact CG2-CZ 4.03Å; I188-V242 HydrophobicContact CG1-CG1 4.49Å; I188-I246 HydrophobicContact CD1-CD1 3.71Å; I188-I246 HydrophobicContact CD1-CG1 4.28Å; I188-I246 HydrophobicContact CG1-CD1 4.06Å; I188-I246 HydrophobicContact CG1-CG1 4.48Å
189R97.7Very high97.7Very high82 Ų8238.2 Ų38.231%0.30920%0.2SC..  trans-127.3150.8178.2-55.9173-167.6177.63.3108.9L115 H186 T187 R229 W231L115-R189 VanDerWaalsContact CD1-O 3.31Å; L115-R189 WeakPolarHBondContact CD1-O 3.34Å; H186-R189 PolarHBondContact O-NE 3.14Å; H186-R189 PolarHBondContact O-NH2 3.47Å; T187-R189 PolarHBondContact O-N 3.35Å; R189-R229 WeakPolarHBondContact CB-O 3.38Å; R189-R229 HydrophobicContact CG-CB 4.49Å; R189-W231 HydrophobicContact CB-CD2 4.28Å; R189-W231 HydrophobicContact CB-CG 4.37Å; R189-W231 HydrophobicContact CB-CZ2 4.22Å; R189-W231 HydrophobicContact CG-CZ2 4.24Å; R189-W231 PolarHBondContact O-NE1 3.46Å
190F98.5Very high97.7Very high1 Ų138 Ų380%0.00420%0.197CC..BIsolated β-bridgetrans-64.8141178-158.8-124.6000110.7L36 N112 I116 G192 L221 T222 S225 F227 R229 S230 W231L36-F190 HydrophobicContact CD2-CE2 4.27Å; L36-F190 HydrophobicContact CD2-CZ 3.76Å; N112-F190 HydrophobicContact CB-CD2 4.32Å; N112-F190 HydrophobicContact CB-CE2 3.47Å; N112-F190 VanDerWaalsContact CB-CE2 3.47Å; N112-F190 HydrophobicContact CB-CZ 3.66Å; N112-F190 VanDerWaalsContact CG-CE2 3.44Å; N112-F190 WeakPolarHBondContact OD1-CD2 3.36Å; N112-F190 WeakPolarHBondContact OD1-CE2 3.31Å; N112-F190 VanDerWaalsContact OD1-CZ 3.31Å; N112-F190 WeakPolarHBondContact OD1-CZ 3.38Å; I116-F190 HydrophobicContact CD1-CE2 4.38Å; F190-G192 VanDerWaalsContact CD1-CA 3.45Å; F190-G192 VanDerWaalsContact CD1-N 3.34Å; F190-L221 HydrophobicContact CE1-CB 4.21Å; F190-T222 HydrophobicContact CB-CG2 4.07Å; F190-S225 WeakPolarHBondContact CD2-OG 3.31Å; F190-S225 VanDerWaalsContact CE2-CB 3.47Å; F190-S225 WeakPolarHBondContact CE2-OG 3.19Å; F190-F227 HydrophobicContact CB-CB 3.83Å; F190-F227 HydrophobicContact CB-CD1 4.37Å; F190-F227 HydrophobicContact CB-CD2 4.14Å; F190-F227 HydrophobicContact CB-CG 3.85Å; F190-F227 AromaticContact CD2-CD2 3.72Å; F190-F227 HydrophobicContact CD2-CD2 3.72Å; F190-F227 HydrophobicContact CD2-CE2 4Å; F190-F227 HydrophobicContact CD2-CG 4.31Å; F190-F227 HydrophobicContact CG-CD2 4.26Å; F190-F227 HydrophobicContact CG-CG 4.45Å; F190-R229 PolarHBondContact N-O 3.34Å; F190-S230 CarbonylContact O-C 3.59Å; F190-S230 WeakPolarHBondContact O-CA 3.49Å; F190-S230 WeakPolarHBondContact O-CB 3.25Å; F190-W231 PolarHBondContact O-N 3.42Å
191R98.7Very high97.7Very high1 Ų140.3 Ų40.30%0.00422%0.217CC..  trans-71.3-46.9171176.8-168.3171.2-84.93.2109N112 L115 K194 G195 Q236N112-R191 WeakPolarHBondContact OD1-CA 3.36Å; N112-R191 VanDerWaalsContact OD1-CB 3.3Å; N112-R191 WeakPolarHBondContact OD1-CB 3.33Å; N112-R191 PolarHBondContact OD1-N 2.91Å; N112-R191 VanDerWaalsContact OD1-N 3.11Å; L115-R191 HydrophobicContact CD1-CB 3.95Å; R191-K194 HydrophobicContact CG-CG 4.21Å; R191-K194 WeakPolarHBondContact O-CE 3.35Å; R191-K194 WeakPolarHBondContact O-CG 3.43Å; R191-K194 PolarHBondContact O-NZ 3.4Å; R191-G195 PolarHBondContact NH2-O 3.39Å; R191-Q236 PolarHBondContact NE-O 3.36Å; R191-Q236 PolarHBondContact NH2-O 3.49Å
192G98.2Very high97.7Very high0 Ų039.9 Ų39.90%022%0.22CC..  trans78.7-158.5-177.500000113.7N112 F190 K194 D218N112-G192 PolarHBondContact ND2-O 3.3Å; N112-G192 PolarHBondContact OD1-N 3.39Å; F190-G192 VanDerWaalsContact CD1-CA 3.45Å; F190-G192 VanDerWaalsContact CD1-N 3.34Å; G192-K194 PolarHBondContact O-N 2.83Å; G192-D218 WeakPolarHBondContact CA-OD1 3.17Å
193A98Very high97.7Very high0 Ų035.8 Ų35.80%020%0.204CC..SBendtrans-95.879.9-175.400000110.3Q200 F203 L217 D218 L221A193-Q200 WeakPolarHBondContact O-CG 3.43Å; A193-Q200 PolarHBondContact O-NE2 3.1Å; A193-F203 HydrophobicContact CB-CD2 4.18Å; A193-F203 HydrophobicContact CB-CE1 4.5Å; A193-F203 HydrophobicContact CB-CE2 3.61Å; A193-F203 HydrophobicContact CB-CZ 3.78Å; A193-L217 HydrophobicContact CB-CD2 3.88Å; A193-L217 HydrophobicContact CB-CG 4.21Å; A193-D218 PolarHBondContact N-OD1 3.39Å; A193-L221 HydrophobicContact CB-CD1 3.71Å
194K98.3Very high97.6Very high4 Ų437.3 Ų37.32%0.01721%0.212CC..  trans-100.4-7.3-169.8-62.2-65.3-170-65.40116.5R191 G192 G198 T199 Q200 D218 W231 T234R191-K194 HydrophobicContact CG-CG 4.21Å; R191-K194 WeakPolarHBondContact O-CE 3.35Å; R191-K194 WeakPolarHBondContact O-CG 3.43Å; R191-K194 PolarHBondContact O-NZ 3.4Å; G192-K194 PolarHBondContact O-N 2.83Å; K194-G198 CarbonylContact O-C 3.06Å; K194-G198 WeakPolarHBondContact O-CA 3.46Å; K194-G198 PolarHBondContact O-N 3.5Å; K194-T199 PolarHBondContact O-N 3.5Å; K194-Q200 HydrophobicContact CD-CG 4.29Å; K194-Q200 PolarHBondContact O-N 2.97Å; K194-D218 IonicContact NZ-OD1 3.36Å; K194-D218 PolarHBondContact NZ-OD1 3.35Å; K194-D218 IonicContact NZ-OD2 3.12Å; K194-D218 PolarHBondContact NZ-OD2 3.4Å; K194-W231 WeakPolarHBondContact CE-O 3.42Å; K194-W231 PolarHBondContact NZ-O 2.86Å; K194-W231 VanDerWaalsContact NZ-O 3.15Å; K194-T234 WeakPolarHBondContact CB-OG1 3.37Å; K194-T234 HydrophobicContact CG-CG2 4.32Å; K194-T234 WeakPolarHBondContact CG-OG1 3.25Å
195G97.7Very high97.6Very high2 Ų240.6 Ų40.62%0.02123%0.232CC..  trans71.1-175-173.900000113.2T105 R191 V197T105-G195 VanDerWaalsContact CG2-C 3.49Å; T105-G195 WeakPolarHBondContact CG2-O 3.27Å; R191-G195 PolarHBondContact NH2-O 3.39Å; G195-V197 PolarHBondContact O-N 3.27Å
196A97.6Very high97.7Very high49 Ų4938 Ų3841%0.40522%0.218SC..SBendtrans-71.6-26.8-169.500000114.8Q236A196-Q236 WeakPolarHBondContact O-CB 3.48Å; A196-Q236 WeakPolarHBondContact O-CG 3.33Å; A196-Q236 PolarHBondContact O-NE2 3.13Å
197V98.2Very high97.8Very high76 Ų7632.7 Ų32.746%0.46119%0.193SC..SBendtrans-129.216.7-178.8-650000112.3G195 T199 G235 E323G195-V197 PolarHBondContact O-N 3.27Å; V197-T199 VanDerWaalsContact C-N 3.33Å; V197-T199 HydrophobicContact CG2-CG2 4.05Å; V197-T199 PolarHBondContact O-N 3.44Å; V197-G235 CarbonylContact C-O 3.6Å; V197-E323 HydrophobicContact CB-CG 4.2Å
198G98.2Very high97.8Very high15 Ų1540.6 Ų40.616%0.15523%0.229CC..SBendtrans88.2-9.8175.500000116.4K194 T234 G235K194-G198 CarbonylContact O-C 3.06Å; K194-G198 WeakPolarHBondContact O-CA 3.46Å; K194-G198 PolarHBondContact O-N 3.5Å; G198-T234 WeakPolarHBondContact CA-O 3.28Å; G198-G235 WeakPolarHBondContact CA-O 3.39Å; G198-G235 PolarHBondContact N-O 2.98Å; G198-G235 VanDerWaalsContact N-O 3.15Å
199T98.1Very high97.8Very high92 Ų9242.2 Ų42.256%0.56425%0.248SC*.SBendtrans-85.5-5.1-174.260.60000114.9K194 V197 A201K194-T199 PolarHBondContact O-N 3.5Å; V197-T199 VanDerWaalsContact C-N 3.33Å; V197-T199 HydrophobicContact CG2-CG2 4.05Å; V197-T199 PolarHBondContact O-N 3.44Å; T199-A201 PolarHBondContact O-N 3.19Å; T199-A201 VanDerWaalsContact O-N 3.11Å
200Q98.4Very high97.8Very high40 Ų4041.3 Ų41.319%0.18725%0.249CC..  trans60.616.6-178.3-53.5178.9-67.800115.2A193 K194 S202 F203 M204 V214A193-Q200 WeakPolarHBondContact O-CG 3.43Å; A193-Q200 PolarHBondContact O-NE2 3.1Å; K194-Q200 HydrophobicContact CD-CG 4.29Å; K194-Q200 PolarHBondContact O-N 2.97Å; Q200-S202 VanDerWaalsContact C-N 3.32Å; Q200-S202 PolarHBondContact O-N 3.49Å; Q200-F203 WeakPolarHBondContact O-CA 3.31Å; Q200-F203 PolarHBondContact O-N 3.28Å; Q200-M204 PolarHBondContact O-N 2.96Å; Q200-V214 HydrophobicContact CB-CG1 3.79Å; Q200-V214 HydrophobicContact CG-CG1 4.23Å
201A98.3Very high97.8Very high49 Ų4947.3 Ų47.341%0.40528%0.277SS..Hα-helixtrans-52.4-44.5-175.500000113.7T199 F203 M204 D205T199-A201 PolarHBondContact O-N 3.19Å; T199-A201 VanDerWaalsContact O-N 3.11Å; A201-F203 VanDerWaalsContact C-N 3.27Å; A201-F203 PolarHBondContact O-N 3.35Å; A201-M204 WeakPolarHBondContact O-CB 3.33Å; A201-M204 PolarHBondContact O-N 3.36Å; A201-M204 VanDerWaalsContact O-N 3.09Å; A201-D205 PolarHBondContact O-N 3.29Å
202S98Very high97.8Very high43 Ų4352.8 Ų52.830%0.30130%0.302SS..Hα-helixtrans-61.7-32.2177.352.40000113.7G103 Q200 L206G103-S202 WeakPolarHBondContact O-CB 3.11Å; G103-S202 PolarHBondContact O-OG 3.03Å; Q200-S202 VanDerWaalsContact C-N 3.32Å; Q200-S202 PolarHBondContact O-N 3.49Å; S202-L206 WeakPolarHBondContact O-CB 3.49Å; S202-L206 PolarHBondContact O-N 3.46Å; S202-L206 VanDerWaalsContact O-N 3.15Å
203F98Very high97.8Very high1 Ų156 Ų560%0.00432%0.316CS..Hα-helixtrans-80.5-31174.8-64-67.1000111.9L40 G103 A104 A193 Q200 A201 D205 L206 F207 V214 L217L40-F203 HydrophobicContact CD1-CE1 4.11Å; L40-F203 HydrophobicContact CD1-CZ 4.41Å; G103-F203 WeakPolarHBondContact O-CE2 3.34Å; G103-F203 VanDerWaalsContact O-CZ 3.27Å; G103-F203 WeakPolarHBondContact O-CZ 3.44Å; A104-F203 HydrophobicContact CB-CZ 4.06Å; A193-F203 HydrophobicContact CB-CD2 4.18Å; A193-F203 HydrophobicContact CB-CE1 4.5Å; A193-F203 HydrophobicContact CB-CE2 3.61Å; A193-F203 HydrophobicContact CB-CZ 3.78Å; Q200-F203 WeakPolarHBondContact O-CA 3.31Å; Q200-F203 PolarHBondContact O-N 3.28Å; A201-F203 VanDerWaalsContact C-N 3.27Å; A201-F203 PolarHBondContact O-N 3.35Å; F203-D205 VanDerWaalsContact C-N 3.33Å; F203-L206 HydrophobicContact CD1-CD2 4.3Å; F203-L206 PolarHBondContact O-N 2.9Å; F203-F207 VanDerWaalsContact O-CD2 3.22Å; F203-F207 WeakPolarHBondContact O-CD2 3.41Å; F203-F207 PolarHBondContact O-N 3.38Å; F203-V214 HydrophobicContact CB-CG1 4.36Å; F203-V214 HydrophobicContact CB-CG2 4.07Å; F203-L217 HydrophobicContact CB-CD2 4.3Å; F203-L217 HydrophobicContact CD1-CD2 3.49Å; F203-L217 VanDerWaalsContact CD1-CD2 3.49Å; F203-L217 HydrophobicContact CD2-CD2 4.42Å; F203-L217 HydrophobicContact CE1-CD2 3.81Å; F203-L217 HydrophobicContact CG-CD2 3.82Å; F203-L217 HydrophobicContact CZ-CD2 4.4Å
204M98Very high97.8Very high33 Ų3356.1 Ų56.116%0.16332%0.317CS..Hα-helixtrans-61.2-43.7170.3-71.4-61.6-54.700111Q200 A201 F207 Q208 G209 H211 V214Q200-M204 PolarHBondContact O-N 2.96Å; A201-M204 WeakPolarHBondContact O-CB 3.33Å; A201-M204 PolarHBondContact O-N 3.36Å; A201-M204 VanDerWaalsContact O-N 3.09Å; M204-F207 CarbonylContact O-C 3.27Å; M204-F207 PolarHBondContact O-N 2.86Å; M204-Q208 PolarHBondContact O-N 3.41Å; M204-G209 VanDerWaalsContact CE-C 3.45Å; M204-G209 VanDerWaalsContact CE-O 3.3Å; M204-G209 WeakPolarHBondContact CE-O 3.28Å; M204-G209 PolarHBondContact O-N 2.95Å; M204-H211 VanDerWaalsContact CE-CD2 3.45Å; M204-H211 WeakPolarHBondContact CE-CD2 3.47Å; M204-H211 WeakPolarHBondContact CE-NE2 3.21Å; M204-V214 HydrophobicContact CG-CG2 4.27Å; M204-V214 HydrophobicContact SD-CB 4.07Å; M204-V214 HydrophobicContact SD-CG1 4.43Å; M204-V214 HydrophobicContact SD-CG2 3.57Å; M204-V214 VanDerWaalsContact SD-CG2 3.57Å
205D97Very high97.8Very high129 Ų12959.4 Ų59.469%0.6933%0.334SS*.Hα-helixtrans-62.8-46174.9-66.4-22.2000111A201 F203 F207 Q208A201-D205 PolarHBondContact O-N 3.29Å; F203-D205 VanDerWaalsContact C-N 3.33Å; D205-F207 PolarHBondContact O-N 2.93Å; D205-Q208 PolarHBondContact O-N 3.28Å; D205-Q208 VanDerWaalsContact O-N 3.09Å
206L96.2Very high97.8Very high28 Ų2864.3 Ų64.315%0.14736%0.355CS..Hα-helixtrans-57.8-36.9179-166.773.9000112.6Q44 F49 L102 S202 F203Q44-L206 HydrophobicContact CG-CD2 4.23Å; Q44-L206 VanDerWaalsContact NE2-CD2 3.29Å; F49-L206 HydrophobicContact CD2-CD1 3.87Å; F49-L206 HydrophobicContact CD2-CD2 4.38Å; F49-L206 HydrophobicContact CD2-CG 3.77Å; F49-L206 HydrophobicContact CE1-CD1 4.24Å; F49-L206 HydrophobicContact CE2-CD1 3.24Å; F49-L206 HydrophobicContact CE2-CG 3.63Å; F49-L206 HydrophobicContact CZ-CD1 3.46Å; F49-L206 VanDerWaalsContact CZ-CD1 3.46Å; F49-L206 HydrophobicContact CZ-CG 4.29Å; L102-L206 HydrophobicContact CD1-CD1 4.26Å; L102-L206 HydrophobicContact CD2-CD1 3.88Å; L102-L206 HydrophobicContact CG-CD1 3.85Å; S202-L206 WeakPolarHBondContact O-CB 3.49Å; S202-L206 PolarHBondContact O-N 3.46Å; S202-L206 VanDerWaalsContact O-N 3.15Å; F203-L206 HydrophobicContact CD1-CD2 4.3Å; F203-L206 PolarHBondContact O-N 2.9Å
207F97.3Very high97.8Very high12 Ų1262 Ų625%0.05334%0.335CS..THydrogen-bonded Turntrans-102.923178.9-61.8-59.8000113.5Q44 L47 F49 F203 M204 D205 G209 D210 K213 V214 L217Q44-F207 HydrophobicContact CG-CZ 4.31Å; L47-F207 HydrophobicContact CB-CE1 3.9Å; L47-F207 HydrophobicContact CB-CZ 4.07Å; L47-F207 HydrophobicContact CD1-CE2 4.44Å; L47-F207 HydrophobicContact CD1-CZ 3.99Å; F49-F207 HydrophobicContact CB-CE1 4.42Å; F203-F207 VanDerWaalsContact O-CD2 3.22Å; F203-F207 WeakPolarHBondContact O-CD2 3.41Å; F203-F207 PolarHBondContact O-N 3.38Å; M204-F207 CarbonylContact O-C 3.27Å; M204-F207 PolarHBondContact O-N 2.86Å; D205-F207 PolarHBondContact O-N 2.93Å; F207-G209 VanDerWaalsContact C-N 3.28Å; F207-G209 PolarHBondContact O-N 2.97Å; F207-D210 HydrophobicContact CB-CB 4.33Å; F207-D210 VanDerWaalsContact O-CB 3.24Å; F207-D210 WeakPolarHBondContact O-CB 3.47Å; F207-D210 PolarHBondContact O-N 2.84Å; F207-K213 HydrophobicContact CB-CB 4.06Å; F207-K213 HydrophobicContact CB-CD 4.21Å; F207-K213 HydrophobicContact CD1-CB 4.16Å; F207-K213 HydrophobicContact CD1-CD 3.82Å; F207-K213 HydrophobicContact CD2-CB 4.08Å; F207-K213 HydrophobicContact CE1-CD 4.49Å; F207-K213 HydrophobicContact CG-CB 3.85Å; F207-K213 HydrophobicContact CG-CD 4.17Å; F207-V214 HydrophobicContact CD2-CG2 3.8Å; F207-L217 HydrophobicContact CE2-CB 4.33Å; F207-L217 HydrophobicContact CE2-CD2 3.94Å
208Q96.6Very high97.8Very high188 Ų18859 Ų5988%0.87932%0.317SS*.THydrogen-bonded Turntrans52.940.6170.6-55.7176.54.300114M204 D205M204-Q208 PolarHBondContact O-N 3.41Å; D205-Q208 PolarHBondContact O-N 3.28Å; D205-Q208 VanDerWaalsContact O-N 3.09Å
209G96.9Very high97.8Very high42 Ų4263.8 Ų63.843%0.43334%0.335SS..THydrogen-bonded Turntrans85.31.618000000115.2M204 F207 H211M204-G209 VanDerWaalsContact CE-C 3.45Å; M204-G209 VanDerWaalsContact CE-O 3.3Å; M204-G209 WeakPolarHBondContact CE-O 3.28Å; M204-G209 PolarHBondContact O-N 2.95Å; F207-G209 VanDerWaalsContact C-N 3.28Å; F207-G209 PolarHBondContact O-N 2.97Å; G209-H211 PolarHBondContact O-CD2 3.06Å; G209-H211 VanDerWaalsContact O-CD2 3.31Å; G209-H211 PolarHBondContact O-N 3.04Å
210D98.1Very high97.8Very high62 Ų6261 Ų6133%0.33232%0.317SS..  trans-77.894.6-179.4-170.9-22.7000112F207 Q212 K213 V214F207-D210 HydrophobicContact CB-CB 4.33Å; F207-D210 VanDerWaalsContact O-CB 3.24Å; F207-D210 WeakPolarHBondContact O-CB 3.47Å; F207-D210 PolarHBondContact O-N 2.84Å; D210-Q212 VanDerWaalsContact C-N 3.26Å; D210-Q212 PolarHBondContact O-N 2.81Å; D210-Q212 WeakPolarHBondContact OD1-CA 3.2Å; D210-Q212 WeakPolarHBondContact OD1-CB 3.35Å; D210-Q212 PolarHBondContact OD1-N 2.65Å; D210-K213 HydrophobicContact CB-CB 4.2Å; D210-K213 HydrophobicContact CB-CD 4.13Å; D210-K213 HydrophobicContact CB-CG 4.23Å; D210-K213 PolarHBondContact O-N 3.48Å; D210-K213 PolarHBondContact OD1-N 2.85Å; D210-K213 VanDerWaalsContact OD1-N 3.07Å; D210-K213 WeakPolarHBondContact OD2-CD 3.45Å; D210-K213 WeakPolarHBondContact OD2-CE 3.39Å; D210-K213 WeakPolarHBondContact OD2-CG 3.4Å; D210-V214 PolarHBondContact O-N 2.86Å
211H98Very high97.8Very high128 Ų12859.2 Ų59.259%0.59331%0.308SS*.Hα-helixtrans-56.8-36176.2-73.3-97.7000113.3M204 G209 V214 I215M204-H211 VanDerWaalsContact CE-CD2 3.45Å; M204-H211 WeakPolarHBondContact CE-CD2 3.47Å; M204-H211 WeakPolarHBondContact CE-NE2 3.21Å; G209-H211 PolarHBondContact O-CD2 3.06Å; G209-H211 VanDerWaalsContact O-CD2 3.31Å; G209-H211 PolarHBondContact O-N 3.04Å; H211-V214 PolarHBondContact O-N 3.41Å; H211-I215 WeakPolarHBondContact O-CG1 3.15Å; H211-I215 PolarHBondContact O-N 2.76Å
212Q98.2Very high97.8Very high116 Ų11657.2 Ų57.254%0.54229%0.291SS..Hα-helixtrans-70.6-35.8-176.6-68.5-61.1-42.300111.4D210 I215 K216D210-Q212 VanDerWaalsContact C-N 3.26Å; D210-Q212 PolarHBondContact O-N 2.81Å; D210-Q212 WeakPolarHBondContact OD1-CA 3.2Å; D210-Q212 WeakPolarHBondContact OD1-CB 3.35Å; D210-Q212 PolarHBondContact OD1-N 2.65Å; Q212-I215 PolarHBondContact O-N 3.38Å; Q212-K216 WeakPolarHBondContact O-CB 3.37Å; Q212-K216 WeakPolarHBondContact O-CG 3.24Å; Q212-K216 PolarHBondContact O-N 3.23Å
213K98.2Very high97.8Very high67 Ų6763.4 Ų63.429%0.29131%0.313SS..Hα-helixtrans-64.9-41.2172-75-177.8-176.1-161.90112.2L47 F207 D210 I215 K216 L217L47-K213 WeakPolarHBondContact CD1-O 3.44Å; L47-K213 WeakPolarHBondContact O-CE 3.31Å; L47-K213 PolarHBondContact O-NZ 3.01Å; F207-K213 HydrophobicContact CB-CB 4.06Å; F207-K213 HydrophobicContact CB-CD 4.21Å; F207-K213 HydrophobicContact CD1-CB 4.16Å; F207-K213 HydrophobicContact CD1-CD 3.82Å; F207-K213 HydrophobicContact CD2-CB 4.08Å; F207-K213 HydrophobicContact CE1-CD 4.49Å; F207-K213 HydrophobicContact CG-CB 3.85Å; F207-K213 HydrophobicContact CG-CD 4.17Å; D210-K213 HydrophobicContact CB-CB 4.2Å; D210-K213 HydrophobicContact CB-CD 4.13Å; D210-K213 HydrophobicContact CB-CG 4.23Å; D210-K213 PolarHBondContact O-N 3.48Å; D210-K213 PolarHBondContact OD1-N 2.85Å; D210-K213 VanDerWaalsContact OD1-N 3.07Å; D210-K213 WeakPolarHBondContact OD2-CD 3.45Å; D210-K213 WeakPolarHBondContact OD2-CE 3.39Å; D210-K213 WeakPolarHBondContact OD2-CG 3.4Å; K213-I215 PolarHBondContact O-N 2.84Å; K213-K216 PolarHBondContact O-N 3.25Å; K213-L217 WeakPolarHBondContact O-CB 3.12Å; K213-L217 PolarHBondContact O-N 3.01Å
214V98Very high97.8Very high2 Ų266.8 Ų66.81%0.01233%0.327CS..Hα-helixtrans-64.7-40177.4176.10000111.8Q200 F203 M204 F207 D210 H211 L217 D218Q200-V214 HydrophobicContact CB-CG1 3.79Å; Q200-V214 HydrophobicContact CG-CG1 4.23Å; F203-V214 HydrophobicContact CB-CG1 4.36Å; F203-V214 HydrophobicContact CB-CG2 4.07Å; M204-V214 HydrophobicContact CG-CG2 4.27Å; M204-V214 HydrophobicContact SD-CB 4.07Å; M204-V214 HydrophobicContact SD-CG1 4.43Å; M204-V214 HydrophobicContact SD-CG2 3.57Å; M204-V214 VanDerWaalsContact SD-CG2 3.57Å; F207-V214 HydrophobicContact CD2-CG2 3.8Å; D210-V214 PolarHBondContact O-N 2.86Å; H211-V214 PolarHBondContact O-N 3.41Å; V214-L217 WeakPolarHBondContact O-CB 3.38Å; V214-L217 PolarHBondContact O-N 3.44Å; V214-D218 PolarHBondContact O-N 3.28Å
215I98Very high97.8Very high74 Ų7465.9 Ų65.938%0.37932%0.324SS..Hα-helixtrans-61.8-51.3173.7-68.4165.7000110.4H211 Q212 K213 L217 D218 E219H211-I215 WeakPolarHBondContact O-CG1 3.15Å; H211-I215 PolarHBondContact O-N 2.76Å; Q212-I215 PolarHBondContact O-N 3.38Å; K213-I215 PolarHBondContact O-N 2.84Å; I215-L217 VanDerWaalsContact C-N 3.31Å; I215-L217 PolarHBondContact O-N 2.99Å; I215-D218 PolarHBondContact O-N 3.47Å; I215-D218 VanDerWaalsContact O-N 3.14Å; I215-E219 HydrophobicContact CG2-CG 4.41Å; I215-E219 WeakPolarHBondContact O-CG 3.32Å; I215-E219 PolarHBondContact O-N 3.18Å
216K98.3Very high97.8Very high105 Ų10562 Ų6246%0.45731%0.314SS..Hα-helixtrans-61.6-36.5179.3-74.1176.4-180177.90112.9L47 Q212 K213 D218 E219 I220L47-K216 HydrophobicContact CD2-CB 3.81Å; L47-K216 HydrophobicContact CD2-CD 4.27Å; Q212-K216 WeakPolarHBondContact O-CB 3.37Å; Q212-K216 WeakPolarHBondContact O-CG 3.24Å; Q212-K216 PolarHBondContact O-N 3.23Å; K213-K216 PolarHBondContact O-N 3.25Å; K216-D218 VanDerWaalsContact C-N 3.3Å; K216-D218 PolarHBondContact O-N 3.02Å; K216-E219 PolarHBondContact O-N 3.28Å; K216-I220 HydrophobicContact CB-CD1 4.48Å; K216-I220 WeakPolarHBondContact O-CB 3.48Å; K216-I220 WeakPolarHBondContact O-CD1 3.21Å; K216-I220 WeakPolarHBondContact O-CG1 3.39Å; K216-I220 PolarHBondContact O-N 3.32Å
217L98.3Very high97.9Very high0 Ų061.2 Ų61.20%031%0.31CS..Hα-helixtrans-54.6-50.5174.5174.368.1000109.9L40 T43 Q44 L47 A193 F203 F207 K213 V214 I215 L221L40-L217 HydrophobicContact CD1-CD1 4.16Å; T43-L217 HydrophobicContact CG2-CD1 3.48Å; T43-L217 VanDerWaalsContact CG2-CD1 3.48Å; Q44-L217 HydrophobicContact CG-CD1 4.31Å; L47-L217 HydrophobicContact CD1-CB 3.62Å; L47-L217 HydrophobicContact CD1-CD1 4.23Å; A193-L217 HydrophobicContact CB-CD2 3.88Å; A193-L217 HydrophobicContact CB-CG 4.21Å; F203-L217 HydrophobicContact CB-CD2 4.3Å; F203-L217 HydrophobicContact CD1-CD2 3.49Å; F203-L217 VanDerWaalsContact CD1-CD2 3.49Å; F203-L217 HydrophobicContact CD2-CD2 4.42Å; F203-L217 HydrophobicContact CE1-CD2 3.81Å; F203-L217 HydrophobicContact CG-CD2 3.82Å; F203-L217 HydrophobicContact CZ-CD2 4.4Å; F207-L217 HydrophobicContact CE2-CB 4.33Å; F207-L217 HydrophobicContact CE2-CD2 3.94Å; K213-L217 WeakPolarHBondContact O-CB 3.12Å; K213-L217 PolarHBondContact O-N 3.01Å; V214-L217 WeakPolarHBondContact O-CB 3.38Å; V214-L217 PolarHBondContact O-N 3.44Å; I215-L217 VanDerWaalsContact C-N 3.31Å; I215-L217 PolarHBondContact O-N 2.99Å; L217-L221 HydrophobicContact CD1-CD1 3.76Å; L217-L221 HydrophobicContact CD1-CG 4.29Å; L217-L221 HydrophobicContact CG-CD1 3.87Å; L217-L221 WeakPolarHBondContact O-CB 3.16Å; L217-L221 WeakPolarHBondContact O-CD1 3.35Å; L217-L221 WeakPolarHBondContact O-CG 3.32Å; L217-L221 PolarHBondContact O-N 3.13Å; L217-L221 VanDerWaalsContact O-N 3.07Å
218D98.2Very high97.7Very high12 Ų1269.1 Ų69.16%0.06435%0.347CS..Hα-helixtrans-67.1-40.6-178.5-158.266000112.3G192 A193 K194 V214 I215 K216 T222 S230G192-D218 WeakPolarHBondContact CA-OD1 3.17Å; A193-D218 PolarHBondContact N-OD1 3.39Å; K194-D218 IonicContact NZ-OD1 3.36Å; K194-D218 PolarHBondContact NZ-OD1 3.35Å; K194-D218 IonicContact NZ-OD2 3.12Å; K194-D218 PolarHBondContact NZ-OD2 3.4Å; V214-D218 PolarHBondContact O-N 3.28Å; I215-D218 PolarHBondContact O-N 3.47Å; I215-D218 VanDerWaalsContact O-N 3.14Å; K216-D218 VanDerWaalsContact C-N 3.3Å; K216-D218 PolarHBondContact O-N 3.02Å; D218-T222 VanDerWaalsContact O-CB 3.28Å; D218-T222 WeakPolarHBondContact O-CB 3.47Å; D218-T222 PolarHBondContact O-N 3.35Å; D218-T222 PolarHBondContact O-OG1 3.28Å; D218-S230 WeakPolarHBondContact OD2-CB 3.43Å; D218-S230 PolarHBondContact OD2-OG 2.78Å
219E98.1Very high97.7Very high116 Ų11668.3 Ų68.354%0.54234%0.336SS..Hα-helixtrans-62.7-48.2176.9-71.2177.9163.800112.5I215 K216 T222 K223I215-E219 HydrophobicContact CG2-CG 4.41Å; I215-E219 WeakPolarHBondContact O-CG 3.32Å; I215-E219 PolarHBondContact O-N 3.18Å; K216-E219 PolarHBondContact O-N 3.28Å; E219-T222 PolarHBondContact O-N 2.84Å; E219-K223 PolarHBondContact O-N 2.87Å
220I98.5Very high97.7Very high35 Ų3567.5 Ų67.518%0.17932%0.324CS..Hα-helixtrans-65.3-44.2-179.3-65164.3000110T43 L47 K216 T222 K223 K224T43-I220 HydrophobicContact CG2-CB 3.68Å; T43-I220 HydrophobicContact CG2-CD1 3.91Å; T43-I220 HydrophobicContact CG2-CG1 4.4Å; T43-I220 HydrophobicContact CG2-CG2 3.71Å; T43-I220 VanDerWaalsContact OG1-CG2 3.27Å; T43-I220 WeakPolarHBondContact OG1-CG2 3.49Å; L47-I220 HydrophobicContact CD2-CD1 4.33Å; K216-I220 HydrophobicContact CB-CD1 4.48Å; K216-I220 WeakPolarHBondContact O-CB 3.48Å; K216-I220 WeakPolarHBondContact O-CD1 3.21Å; K216-I220 WeakPolarHBondContact O-CG1 3.39Å; K216-I220 PolarHBondContact O-N 3.32Å; I220-T222 VanDerWaalsContact C-N 3.34Å; I220-T222 PolarHBondContact O-N 3.31Å; I220-K223 PolarHBondContact O-N 2.93Å; I220-K224 HydrophobicContact CG2-CD 3.99Å; I220-K224 HydrophobicContact CG2-CG 4.29Å; I220-K224 WeakPolarHBondContact O-CB 3.3Å; I220-K224 WeakPolarHBondContact O-CG 3.48Å; I220-K224 PolarHBondContact O-N 3.27Å
221L98.5Very high97.7Very high1 Ų166.6 Ų66.61%0.00532%0.316CS..Hα-helixtrans-61.5-42.8176.9-73.4170.3000111.9W39 L40 F108 F190 A193 L217 K223 K224 S225W39-L221 HydrophobicContact CB-CD2 3.88Å; L40-L221 HydrophobicContact CD1-CD1 4.07Å; F108-L221 HydrophobicContact CE2-CD1 4.02Å; F108-L221 HydrophobicContact CZ-CD2 4.42Å; F190-L221 HydrophobicContact CE1-CB 4.21Å; A193-L221 HydrophobicContact CB-CD1 3.71Å; L217-L221 HydrophobicContact CD1-CD1 3.76Å; L217-L221 HydrophobicContact CD1-CG 4.29Å; L217-L221 HydrophobicContact CG-CD1 3.87Å; L217-L221 WeakPolarHBondContact O-CB 3.16Å; L217-L221 WeakPolarHBondContact O-CD1 3.35Å; L217-L221 WeakPolarHBondContact O-CG 3.32Å; L217-L221 PolarHBondContact O-N 3.13Å; L217-L221 VanDerWaalsContact O-N 3.07Å; L221-K223 PolarHBondContact O-N 3.43Å; L221-K224 PolarHBondContact O-N 2.99Å; L221-S225 WeakPolarHBondContact O-CB 3.34Å; L221-S225 PolarHBondContact O-N 2.73Å; L221-S225 PolarHBondContact O-OG 3.31Å
222T98.4Very high97.5Very high7 Ų766.4 Ų66.44%0.04333%0.328CS..Hα-helixtrans-59.1-48.5176.2-60.80000110.9F190 D218 E219 I220 S225 G226 F227 R229 S230F190-T222 HydrophobicContact CB-CG2 4.07Å; D218-T222 VanDerWaalsContact O-CB 3.28Å; D218-T222 WeakPolarHBondContact O-CB 3.47Å; D218-T222 PolarHBondContact O-N 3.35Å; D218-T222 PolarHBondContact O-OG1 3.28Å; E219-T222 PolarHBondContact O-N 2.84Å; I220-T222 VanDerWaalsContact C-N 3.34Å; I220-T222 PolarHBondContact O-N 3.31Å; T222-S225 PolarHBondContact O-N 2.96Å; T222-S225 PolarHBondContact O-OG 3.43Å; T222-G226 PolarHBondContact O-N 2.99Å; T222-F227 HydrophobicContact CG2-CB 3.88Å; T222-F227 PolarHBondContact O-N 3.19Å; T222-F227 VanDerWaalsContact O-N 3.13Å; T222-R229 VanDerWaalsContact CG2-C 3.5Å; T222-S230 WeakPolarHBondContact OG1-CB 3.33Å
223K98.1Very high97.5Very high174 Ų17466.8 Ų66.876%0.75734%0.337SS*.Hα-helixtrans-63.2-45.5177.3-173179.2179.7-178.30112.3E219 I220 L221 S225 G226E219-K223 PolarHBondContact O-N 2.87Å; I220-K223 PolarHBondContact O-N 2.93Å; L221-K223 PolarHBondContact O-N 3.43Å; K223-S225 VanDerWaalsContact C-N 3.26Å; K223-S225 PolarHBondContact O-N 3.49Å; K223-G226 PolarHBondContact O-N 3.13Å
224K97.8Very high97.5Very high71 Ų7164.3 Ų64.331%0.30933%0.328SS..Hα-helixtrans-59.1-37177.3-79.3178.1178.7-83.50112.1W39 E42 T43 I220 L221 G226W39-K224 HydrophobicContact CB-CD 4.03Å; W39-K224 HydrophobicContact CD2-CB 4.11Å; W39-K224 HydrophobicContact CG-CB 4.13Å; W39-K224 HydrophobicContact CG-CD 4.05Å; E42-K224 IonicContact OE2-NZ 3.72Å; E42-K224 PolarHBondContact OE2-NZ 3.31Å; T43-K224 WeakPolarHBondContact OG1-CE 3.27Å; I220-K224 HydrophobicContact CG2-CD 3.99Å; I220-K224 HydrophobicContact CG2-CG 4.29Å; I220-K224 WeakPolarHBondContact O-CB 3.3Å; I220-K224 WeakPolarHBondContact O-CG 3.48Å; I220-K224 PolarHBondContact O-N 3.27Å; L221-K224 PolarHBondContact O-N 2.99Å; K224-G226 PolarHBondContact O-N 3.22Å
225S97.3Very high97.5Very high14 Ų1465.1 Ų65.110%0.09834%0.337CS..THydrogen-bonded Turntrans-75.4-0.317671.70000114.6F190 L221 T222 K223 F227F190-S225 WeakPolarHBondContact CD2-OG 3.31Å; F190-S225 VanDerWaalsContact CE2-CB 3.47Å; F190-S225 WeakPolarHBondContact CE2-OG 3.19Å; L221-S225 WeakPolarHBondContact O-CB 3.34Å; L221-S225 PolarHBondContact O-N 2.73Å; L221-S225 PolarHBondContact O-OG 3.31Å; T222-S225 PolarHBondContact O-N 2.96Å; T222-S225 PolarHBondContact O-OG 3.43Å; K223-S225 VanDerWaalsContact C-N 3.26Å; K223-S225 PolarHBondContact O-N 3.49Å; S225-F227 VanDerWaalsContact C-N 3.28Å; S225-F227 PolarHBondContact O-N 3.48Å; S225-F227 WeakPolarHBondContact OG-CD2 2.84Å
226G96.5Very high97.5Very high47 Ų4764.1 Ų64.149%0.48533%0.33SS..THydrogen-bonded Turntrans7514.1-18000000114K119 T222 K223 K224K119-G226 PolarHBondContact NZ-O 3.43Å; T222-G226 PolarHBondContact O-N 2.99Å; K223-G226 PolarHBondContact O-N 3.13Å; K224-G226 PolarHBondContact O-N 3.22Å
227F97.8Very high97.6Very high13 Ų1359.6 Ų59.66%0.05731%0.311CS..  trans-90.7144.9173.1-79.2-93.2000110.8L115 I116 K119 I188 F190 T222 S225L115-F227 HydrophobicContact CB-CZ 4.29Å; I116-F227 HydrophobicContact CG1-CE2 3.92Å; K119-F227 HydrophobicContact CB-CE1 4.46Å; K119-F227 HydrophobicContact CB-CZ 3.97Å; K119-F227 HydrophobicContact CD-CD1 4.36Å; K119-F227 HydrophobicContact CD-CE1 3.71Å; K119-F227 HydrophobicContact CD-CE2 4.06Å; K119-F227 HydrophobicContact CD-CZ 3.55Å; K119-F227 HydrophobicContact CG-CZ 4.4Å; I188-F227 HydrophobicContact CB-CE1 4.37Å; I188-F227 HydrophobicContact CG2-CE1 3.61Å; I188-F227 HydrophobicContact CG2-CZ 4.03Å; F190-F227 HydrophobicContact CB-CB 3.83Å; F190-F227 HydrophobicContact CB-CD1 4.37Å; F190-F227 HydrophobicContact CB-CD2 4.14Å; F190-F227 HydrophobicContact CB-CG 3.85Å; F190-F227 AromaticContact CD2-CD2 3.72Å; F190-F227 HydrophobicContact CD2-CD2 3.72Å; F190-F227 HydrophobicContact CD2-CE2 4Å; F190-F227 HydrophobicContact CD2-CG 4.31Å; F190-F227 HydrophobicContact CG-CD2 4.26Å; F190-F227 HydrophobicContact CG-CG 4.45Å; T222-F227 HydrophobicContact CG2-CB 3.88Å; T222-F227 PolarHBondContact O-N 3.19Å; T222-F227 VanDerWaalsContact O-N 3.13Å; S225-F227 VanDerWaalsContact C-N 3.28Å; S225-F227 PolarHBondContact O-N 3.48Å; S225-F227 WeakPolarHBondContact OG-CD2 2.84Å
228Q94.3Very high97.6Very high178 Ų17859.6 Ų59.683%0.83231%0.311SS*.SBendtrans-81.5-26.3176-67-176.5-7.400112.5
229R96.3Very high97.5Very high170 Ų17061.2 Ų61.264%0.64232%0.323SS*.  trans-144.6146.3-174.5-61.9-175.5-177.6-178.70.5110.9R189 F190 T222R189-R229 WeakPolarHBondContact CB-O 3.38Å; R189-R229 HydrophobicContact CG-CB 4.49Å; F190-R229 PolarHBondContact N-O 3.34Å; T222-R229 VanDerWaalsContact CG2-C 3.5Å
230S97.3Very high97.5Very high26 Ų2656.1 Ų56.118%0.18230%0.299CS..BIsolated β-bridgetrans-104.1167.8164.557.70000111.4F190 D218 T222F190-S230 CarbonylContact O-C 3.59Å; F190-S230 WeakPolarHBondContact O-CA 3.49Å; F190-S230 WeakPolarHBondContact O-CB 3.25Å; D218-S230 WeakPolarHBondContact OD2-CB 3.43Å; D218-S230 PolarHBondContact OD2-OG 2.78Å; T222-S230 WeakPolarHBondContact OG1-CB 3.33Å
231W97.4Very high97.5Very high42 Ų4260.5 Ų60.516%0.15932%0.317CS..  trans-72127.9169.1-69.4103.8000110.7R189 F190 K194 T234 P239 V242R189-W231 HydrophobicContact CB-CD2 4.28Å; R189-W231 HydrophobicContact CB-CG 4.37Å; R189-W231 HydrophobicContact CB-CZ2 4.22Å; R189-W231 HydrophobicContact CG-CZ2 4.24Å; R189-W231 PolarHBondContact O-NE1 3.46Å; F190-W231 PolarHBondContact O-N 3.42Å; K194-W231 WeakPolarHBondContact CE-O 3.42Å; K194-W231 PolarHBondContact NZ-O 2.86Å; K194-W231 VanDerWaalsContact NZ-O 3.15Å; W231-T234 HydrophobicContact CB-CG2 3.44Å; W231-T234 VanDerWaalsContact CB-CG2 3.44Å; W231-T234 HydrophobicContact CG-CG2 4.15Å; W231-P239 HydrophobicContact CD2-CG 4.25Å; W231-P239 HydrophobicContact CE3-CG 4.3Å; W231-P239 HydrophobicContact CZ3-CG 4.47Å; W231-V242 HydrophobicContact CH2-CG2 4.25Å; W231-V242 HydrophobicContact CZ2-CG2 3.53Å
232C94.7Very high97.5Very high125 Ų12560.7 Ų60.785%0.84532%0.318SS*.SBendtrans-72.9-34.9174.6-54.50000112.3
233V97.5Very high97.5Very high123 Ų12360.4 Ų60.475%0.74532%0.316SS*.SBendtrans-128.3125.8-178-1770000108.6
234T98.5Very high97.5Very high16 Ų1653 Ų5310%0.09828%0.284CS..  trans-141.4156.9176.559.30000109K194 G198 W231 T237K194-T234 WeakPolarHBondContact CB-OG1 3.37Å; K194-T234 HydrophobicContact CG-CG2 4.32Å; K194-T234 WeakPolarHBondContact CG-OG1 3.25Å; G198-T234 WeakPolarHBondContact CA-O 3.28Å; W231-T234 HydrophobicContact CB-CG2 3.44Å; W231-T234 VanDerWaalsContact CB-CG2 3.44Å; W231-T234 HydrophobicContact CG-CG2 4.15Å; T234-T237 WeakPolarHBondContact CB-O 3.39Å
235G98Very high97.5Very high19 Ų1952.3 Ų52.320%0.19628%0.282CS..SBendtrans-81.3-132.5156.700000109.8V197 G198 T237 E323V197-G235 CarbonylContact C-O 3.6Å; G198-G235 WeakPolarHBondContact CA-O 3.39Å; G198-G235 PolarHBondContact N-O 2.98Å; G198-G235 VanDerWaalsContact N-O 3.15Å; G235-T237 VanDerWaalsContact C-N 3.29Å; G235-T237 PolarHBondContact O-N 3.31Å; G235-E323 WeakPolarHBondContact CA-O 3.42Å
236Q98.6Very high97.6Very high52 Ų5251.6 Ų51.624%0.24328%0.277CS..SBendtrans-68.9-28.7172.1-172.9170.5100.100112.3C107 R191 A196 E323 R324C107-Q236 HydrophobicContact CB-CG 4.4Å; C107-Q236 VanDerWaalsContact CB-O 3.3Å; C107-Q236 WeakPolarHBondContact CB-O 3.4Å; R191-Q236 PolarHBondContact NE-O 3.36Å; R191-Q236 PolarHBondContact NH2-O 3.49Å; A196-Q236 WeakPolarHBondContact O-CB 3.48Å; A196-Q236 WeakPolarHBondContact O-CG 3.33Å; A196-Q236 PolarHBondContact O-NE2 3.13Å; Q236-E323 PolarHBondContact N-O 3.18Å; Q236-R324 HydrophobicContact CB-CB 3.77Å
237T98.8Very high97.7Very high10 Ų1049.4 Ų49.46%0.06125%0.254CS..SBendtrans-120.4171-171.459.70000111.8D111 T234 G235 R324D111-T237 WeakPolarHBondContact OD2-CA 3.4Å; D111-T237 WeakPolarHBondContact OD2-CB 3.4Å; T234-T237 WeakPolarHBondContact CB-O 3.39Å; G235-T237 VanDerWaalsContact C-N 3.29Å; G235-T237 PolarHBondContact O-N 3.31Å; T237-R324 HydrophobicContact CG2-CB 4.46Å; T237-R324 VanDerWaalsContact CG2-CD 3.49Å; T237-R324 HydrophobicContact CG2-CG 3.86Å
238Y98.5Very high97.7Very high0 Ų051.7 Ų51.70%027%0.267CS..SBendtrans-63.3155.3158.170.9-99.5000109.8D111 L115 R240 V242 D243 R332D111-Y238 HydrophobicContact CB-CD1 3.88Å; D111-Y238 HydrophobicContact CB-CE1 4.27Å; D111-Y238 WeakPolarHBondContact OD2-CD1 3.34Å; D111-Y238 PolarHBondContact OD2-N 2.93Å; L115-Y238 HydrophobicContact CD1-CD1 3.65Å; L115-Y238 HydrophobicContact CD1-CE1 4.3Å; L115-Y238 HydrophobicContact CD1-CG 4.1Å; L115-Y238 HydrophobicContact CD2-CD1 3.84Å; L115-Y238 HydrophobicContact CD2-CD2 4.26Å; L115-Y238 HydrophobicContact CD2-CE1 3.93Å; L115-Y238 HydrophobicContact CD2-CE2 4.37Å; L115-Y238 HydrophobicContact CD2-CG 4.02Å; L115-Y238 HydrophobicContact CG-CD1 3.65Å; L115-Y238 HydrophobicContact CG-CE1 3.8Å; L115-Y238 HydrophobicContact CG-CG 4.26Å; Y238-R240 VanDerWaalsContact CD1-NH1 3.3Å; Y238-R240 PolarHBondContact O-N 3.39Å; Y238-R240 VanDerWaalsContact O-N 3.12Å; Y238-V242 HydrophobicContact CD2-CB 4Å; Y238-V242 HydrophobicContact CD2-CG2 4.21Å; Y238-V242 HydrophobicContact CE2-CB 3.96Å; Y238-V242 HydrophobicContact CE2-CG1 4.36Å; Y238-D243 WeakPolarHBondContact CE2-OD1 3.45Å; Y238-D243 VanDerWaalsContact CZ-OD1 3.29Å; Y238-D243 VanDerWaalsContact OH-CG 3.28Å; Y238-D243 PolarHBondContact OH-OD1 2.86Å; Y238-D243 PolarHBondContact OH-OD2 3.09Å; Y238-R332 PolarHBondContact OH-NH2 2.92Å
239P97.7Very high97.9Very high47 Ų4743.3 Ų43.331%0.30523%0.229SC..  trans-60.5118.9180-22.133000110.9W231 K241 V242W231-P239 HydrophobicContact CD2-CG 4.25Å; W231-P239 HydrophobicContact CE3-CG 4.3Å; W231-P239 HydrophobicContact CZ3-CG 4.47Å; P239-K241 PolarHBondContact O-N 3.47Å; P239-V242 WeakPolarHBondContact O-CB 3.49Å; P239-V242 WeakPolarHBondContact O-CG2 3.2Å; P239-V242 PolarHBondContact O-N 3.33Å
240R98.2Very high98Very high9 Ų935.2 Ų35.23%0.03420%0.198CC..THydrogen-bonded Turntrans-60.5-14179-61.7-52.2-175.3-142.64.6113.2D111 Y238 V242 D243 V317 Q320 D328D111-R240 IonicContact OD1-CZ 3.69Å; D111-R240 IonicContact OD1-NH1 3.07Å; D111-R240 IonicContact OD1-NH2 3.03Å; D111-R240 PolarHBondContact OD1-NH2 2.93Å; D111-R240 IonicContact OD2-CZ 3.74Å; D111-R240 IonicContact OD2-NH1 3.7Å; D111-R240 PolarHBondContact OD2-NH1 3.03Å; D111-R240 IonicContact OD2-NH2 2.73Å; Y238-R240 VanDerWaalsContact CD1-NH1 3.3Å; Y238-R240 PolarHBondContact O-N 3.39Å; Y238-R240 VanDerWaalsContact O-N 3.12Å; R240-V242 PolarHBondContact O-N 3.32Å; R240-V242 VanDerWaalsContact O-N 3.16Å; R240-D243 WeakPolarHBondContact CD-OD2 3.03Å; R240-D243 VanDerWaalsContact O-CB 3.29Å; R240-D243 WeakPolarHBondContact O-CB 3.2Å; R240-D243 PolarHBondContact O-N 2.92Å; R240-V317 HydrophobicContact CB-CG2 3.65Å; R240-V317 WeakPolarHBondContact O-CG2 3.27Å; R240-Q320 HydrophobicContact CG-CG 4.21Å; R240-D328 IonicContact CZ-OD2 3.05Å; R240-D328 IonicContact NE-OD2 3.39Å; R240-D328 PolarHBondContact NE-OD2 3.32Å; R240-D328 IonicContact NH2-OD2 3.61Å; R240-D328 PolarHBondContact NH2-OD2 2.97Å
241K98Very high98.1Very high127 Ų12734.9 Ų34.955%0.55220%0.195SC*.Hα-helixtrans-54.5-28167.4-168.1173.7178.2670113.3P239 D243 I244 E245 V317P239-K241 PolarHBondContact O-N 3.47Å; K241-D243 VanDerWaalsContact C-N 3.26Å; K241-D243 PolarHBondContact O-N 2.62Å; K241-I244 WeakPolarHBondContact O-CB 3.31Å; K241-I244 PolarHBondContact O-N 3.39Å; K241-E245 PolarHBondContact O-N 3.28Å; K241-E245 VanDerWaalsContact O-N 3.16Å; K241-V317 HydrophobicContact CB-CG1 4.4Å
242V98.1Very high98.1Very high5 Ų536.3 Ų36.33%0.0321%0.207CC..Hα-helixtrans-61.8-36.3172.7176.60000111.3T187 I188 W231 Y238 P239 R240 I244 E245 I246T187-V242 HydrophobicContact CG2-CG1 4.47Å; I188-V242 HydrophobicContact CG1-CG1 4.49Å; W231-V242 HydrophobicContact CH2-CG2 4.25Å; W231-V242 HydrophobicContact CZ2-CG2 3.53Å; Y238-V242 HydrophobicContact CD2-CB 4Å; Y238-V242 HydrophobicContact CD2-CG2 4.21Å; Y238-V242 HydrophobicContact CE2-CB 3.96Å; Y238-V242 HydrophobicContact CE2-CG1 4.36Å; P239-V242 WeakPolarHBondContact O-CB 3.49Å; P239-V242 WeakPolarHBondContact O-CG2 3.2Å; P239-V242 PolarHBondContact O-N 3.33Å; R240-V242 PolarHBondContact O-N 3.32Å; R240-V242 VanDerWaalsContact O-N 3.16Å; V242-I244 VanDerWaalsContact C-N 3.29Å; V242-I244 PolarHBondContact O-N 2.64Å; V242-E245 PolarHBondContact O-N 3.36Å; V242-I246 HydrophobicContact CG1-CD1 3.9Å; V242-I246 HydrophobicContact CG1-CG1 4.47Å; V242-I246 WeakPolarHBondContact O-CG1 3.43Å; V242-I246 PolarHBondContact O-N 3.49Å
243D98.5Very high98.3Very high1 Ų130.4 Ų30.41%0.00517%0.166CC..Hα-helixtrans-67.4-33.6179.2-61.9-14.9000111Y238 R240 K241 T247 M313 R332 L336Y238-D243 WeakPolarHBondContact CE2-OD1 3.45Å; Y238-D243 VanDerWaalsContact CZ-OD1 3.29Å; Y238-D243 VanDerWaalsContact OH-CG 3.28Å; Y238-D243 PolarHBondContact OH-OD1 2.86Å; Y238-D243 PolarHBondContact OH-OD2 3.09Å; R240-D243 WeakPolarHBondContact CD-OD2 3.03Å; R240-D243 VanDerWaalsContact O-CB 3.29Å; R240-D243 WeakPolarHBondContact O-CB 3.2Å; R240-D243 PolarHBondContact O-N 2.92Å; K241-D243 VanDerWaalsContact C-N 3.26Å; K241-D243 PolarHBondContact O-N 2.62Å; D243-T247 WeakPolarHBondContact O-CB 3.41Å; D243-T247 WeakPolarHBondContact O-CG2 3.35Å; D243-T247 PolarHBondContact O-N 3.47Å; D243-T247 PolarHBondContact O-OG1 3.35Å; D243-M313 HydrophobicContact CB-CB 4.38Å; D243-M313 HydrophobicContact CB-CG 4.12Å; D243-M313 HydrophobicContact CB-SD 3.83Å; D243-R332 WeakPolarHBondContact OD2-CD 3.48Å; D243-R332 IonicContact OD2-CZ 3.14Å; D243-R332 IonicContact OD2-NE 2.79Å; D243-R332 PolarHBondContact OD2-NE 3.45Å; D243-L336 HydrophobicContact CB-CD2 4.1Å
244I98.1Very high98.4Very high18 Ų1824.5 Ų24.59%0.09213%0.131CC..Hα-helixtrans-64-50.4171-63.1172.8000110.6K241 V242 I246 T247 N248 M313 V314 V317K241-I244 WeakPolarHBondContact O-CB 3.31Å; K241-I244 PolarHBondContact O-N 3.39Å; V242-I244 VanDerWaalsContact C-N 3.29Å; V242-I244 PolarHBondContact O-N 2.64Å; I244-I246 PolarHBondContact O-N 3.19Å; I244-T247 PolarHBondContact O-N 3.36Å; I244-T247 PolarHBondContact O-OG1 2.9Å; I244-N248 VanDerWaalsContact CG2-ND2 3.31Å; I244-N248 WeakPolarHBondContact CG2-ND2 3.4Å; I244-N248 VanDerWaalsContact O-CB 3.25Å; I244-N248 WeakPolarHBondContact O-CB 3.28Å; I244-N248 VanDerWaalsContact O-CG 3.27Å; I244-N248 PolarHBondContact O-N 3.5Å; I244-M313 HydrophobicContact CG1-CB 4.03Å; I244-M313 WeakPolarHBondContact CG1-O 3.41Å; I244-V314 HydrophobicContact CD1-CB 4.49Å; I244-V314 HydrophobicContact CD1-CG2 4.34Å; I244-V314 HydrophobicContact CG1-CG2 4.27Å; I244-V314 HydrophobicContact CG2-CG2 4.07Å; I244-V317 HydrophobicContact CD1-CB 3.67Å; I244-V317 HydrophobicContact CD1-CG1 4.12Å; I244-V317 HydrophobicContact CD1-CG2 3.46Å; I244-V317 VanDerWaalsContact CD1-CG2 3.46Å; I244-V317 HydrophobicContact CG1-CB 4.47Å; I244-V317 HydrophobicContact CG1-CG2 3.76Å
245E98.3Very high98.4Very high56 Ų5626 Ų2626%0.26214%0.144SC..Hα-helixtrans-56.2-42.5-179.1-72.3-68.813100111.4R182 L183 T187 K241 V242 A249R182-E245 IonicContact CZ-OE2 3.12Å; R182-E245 IonicContact NH1-OE2 3.2Å; R182-E245 PolarHBondContact NH1-OE2 3.26Å; R182-E245 IonicContact NH2-OE2 3.77Å; R182-E245 PolarHBondContact NH2-OE2 2.85Å; L183-E245 HydrophobicContact CD2-CB 3.74Å; T187-E245 HydrophobicContact CG2-CB 3.96Å; T187-E245 HydrophobicContact CG2-CG 4.11Å; K241-E245 PolarHBondContact O-N 3.28Å; K241-E245 VanDerWaalsContact O-N 3.16Å; V242-E245 PolarHBondContact O-N 3.36Å; E245-A249 PolarHBondContact O-N 3.07Å
246I98.6Very high98.5Very high0 Ų025.6 Ų25.60%014%0.138CC..Hα-helixtrans-66.5-55.6177.3-66167.5000110.8L118 L183 I188 V242 I244 N248 A249 L250 F340L118-I246 HydrophobicContact CB-CD1 4.32Å; L118-I246 HydrophobicContact CD1-CD1 3.95Å; L118-I246 HydrophobicContact CD2-CD1 4.32Å; L118-I246 HydrophobicContact CG-CD1 4.43Å; L183-I246 HydrophobicContact CD1-CG1 4.33Å; L183-I246 HydrophobicContact CD2-CG1 4.45Å; I188-I246 HydrophobicContact CD1-CD1 3.71Å; I188-I246 HydrophobicContact CD1-CG1 4.28Å; I188-I246 HydrophobicContact CG1-CD1 4.06Å; I188-I246 HydrophobicContact CG1-CG1 4.48Å; V242-I246 HydrophobicContact CG1-CD1 3.9Å; V242-I246 HydrophobicContact CG1-CG1 4.47Å; V242-I246 WeakPolarHBondContact O-CG1 3.43Å; V242-I246 PolarHBondContact O-N 3.49Å; I244-I246 PolarHBondContact O-N 3.19Å; I246-N248 VanDerWaalsContact C-N 3.29Å; I246-N248 PolarHBondContact O-N 3.3Å; I246-A249 PolarHBondContact O-N 3.46Å; I246-L250 HydrophobicContact CG2-CD1 4.05Å; I246-L250 HydrophobicContact CG2-CG 4.43Å; I246-L250 WeakPolarHBondContact O-CG 3.34Å; I246-L250 PolarHBondContact O-N 3.2Å; I246-F340 HydrophobicContact CG2-CE2 3.6Å; I246-F340 HydrophobicContact CG2-CZ 3.7Å
247T98.4Very high98.5Very high0 Ų023.1 Ų23.10%013%0.127CC..Hα-helixtrans-67.3-28.6-174.452.50000113.2D243 I244 S251 M313 V335 L336 A339D243-T247 WeakPolarHBondContact O-CB 3.41Å; D243-T247 WeakPolarHBondContact O-CG2 3.35Å; D243-T247 PolarHBondContact O-N 3.47Å; D243-T247 PolarHBondContact O-OG1 3.35Å; I244-T247 PolarHBondContact O-N 3.36Å; I244-T247 PolarHBondContact O-OG1 2.9Å; T247-S251 VanDerWaalsContact O-CB 3.25Å; T247-S251 WeakPolarHBondContact O-CB 3.49Å; T247-S251 PolarHBondContact O-N 3.35Å; T247-M313 HydrophobicContact CG2-CG 3.63Å; T247-M313 WeakPolarHBondContact OG1-CG 3.37Å; T247-V335 HydrophobicContact CG2-CG1 4.16Å; T247-L336 HydrophobicContact CG2-CD2 4.02Å; T247-A339 HydrophobicContact CG2-CB 4.37Å
248N98.2Very high98.5Very high61 Ų6124.6 Ų24.633%0.32613%0.133SC..Hα-helixtrans-67.3-43.8171.8-76.4-7.1000112.1I244 I246 L250 S251 N252I244-N248 VanDerWaalsContact CG2-ND2 3.31Å; I244-N248 WeakPolarHBondContact CG2-ND2 3.4Å; I244-N248 VanDerWaalsContact O-CB 3.25Å; I244-N248 WeakPolarHBondContact O-CB 3.28Å; I244-N248 VanDerWaalsContact O-CG 3.27Å; I244-N248 PolarHBondContact O-N 3.5Å; I246-N248 VanDerWaalsContact C-N 3.29Å; I246-N248 PolarHBondContact O-N 3.3Å; N248-L250 VanDerWaalsContact C-N 3.32Å; N248-L250 PolarHBondContact O-N 3.47Å; N248-S251 WeakPolarHBondContact O-CB 3.39Å; N248-S251 PolarHBondContact O-N 3.32Å; N248-N252 PolarHBondContact O-N 2.98Å; N248-N252 PolarHBondContact O-OD1 2.93Å
249A98.5Very high98.5Very high3 Ų327.9 Ų27.93%0.02515%0.147CC..Hα-helixtrans-64.3-39.5176.200000111.7N179 L180 L183 E245 I246 S251 N252 I253N179-A249 HydrophobicContact CB-CB 4.3Å; L180-A249 HydrophobicContact CD2-CB 4.26Å; L183-A249 HydrophobicContact CD1-CB 3.4Å; L183-A249 HydrophobicContact CG-CB 4.38Å; E245-A249 PolarHBondContact O-N 3.07Å; I246-A249 PolarHBondContact O-N 3.46Å; A249-S251 VanDerWaalsContact C-N 3.35Å; A249-N252 WeakPolarHBondContact O-CB 3.48Å; A249-N252 PolarHBondContact O-N 3.47Å; A249-I253 PolarHBondContact O-N 2.97Å
250L98.8Very high98.6Very high0 Ų025.7 Ų25.70%013%0.133CC..Hα-helixtrans-66.7-37.5174.5-60.9-179.6000111.8L125 L180 I246 N248 N252 I253 G254 L306 A339 F340 A343L125-L250 HydrophobicContact CD1-CD2 3.53Å; L180-L250 HydrophobicContact CD2-CD2 4.07Å; I246-L250 HydrophobicContact CG2-CD1 4.05Å; I246-L250 HydrophobicContact CG2-CG 4.43Å; I246-L250 WeakPolarHBondContact O-CG 3.34Å; I246-L250 PolarHBondContact O-N 3.2Å; N248-L250 VanDerWaalsContact C-N 3.32Å; N248-L250 PolarHBondContact O-N 3.47Å; L250-N252 VanDerWaalsContact C-N 3.29Å; L250-N252 PolarHBondContact O-N 2.99Å; L250-I253 HydrophobicContact CD2-CD1 4.23Å; L250-I253 WeakPolarHBondContact O-CB 3.41Å; L250-I253 PolarHBondContact O-N 3.47Å; L250-G254 PolarHBondContact O-N 3.21Å; L250-L306 HydrophobicContact CB-CD1 4.06Å; L250-L306 WeakPolarHBondContact O-CD2 3.28Å; L250-L306 VanDerWaalsContact O-CG 3.32Å; L250-L306 WeakPolarHBondContact O-CG 3.44Å; L250-A339 HydrophobicContact CD1-CB 3.78Å; L250-F340 HydrophobicContact CD1-CD1 4.41Å; L250-F340 HydrophobicContact CD1-CD2 3.79Å; L250-F340 HydrophobicContact CD1-CE1 4.43Å; L250-F340 HydrophobicContact CD1-CE2 3.83Å; L250-F340 HydrophobicContact CD1-CG 4.1Å; L250-F340 HydrophobicContact CD1-CZ 4.17Å; L250-A343 HydrophobicContact CD2-CB 4.04Å
251S98.6Very high98.6Very high18 Ų1825.2 Ų25.213%0.12613%0.131CC..Hα-helixtrans-59-39.1172.5172.10000112T247 N248 A249 G254 A255 M307T247-S251 VanDerWaalsContact O-CB 3.25Å; T247-S251 WeakPolarHBondContact O-CB 3.49Å; T247-S251 PolarHBondContact O-N 3.35Å; N248-S251 WeakPolarHBondContact O-CB 3.39Å; N248-S251 PolarHBondContact O-N 3.32Å; A249-S251 VanDerWaalsContact C-N 3.35Å; S251-G254 WeakPolarHBondContact O-CA 3.41Å; S251-G254 PolarHBondContact O-N 3.09Å; S251-A255 PolarHBondContact O-N 3.41Å; S251-M307 WeakPolarHBondContact OG-CA 3.49Å; S251-M307 PolarHBondContact OG-O 2.89Å
252N98.6Very high98.6Very high73 Ų7321 Ų2139%0.3912%0.116SC..Hα-helixtrans-63.4-40.6177-69.1-7.8000112.2D176 N248 A249 L250 G254 A255 T256D176-N252 WeakPolarHBondContact OD1-CB 3.47Å; N248-N252 PolarHBondContact O-N 2.98Å; N248-N252 PolarHBondContact O-OD1 2.93Å; A249-N252 WeakPolarHBondContact O-CB 3.48Å; A249-N252 PolarHBondContact O-N 3.47Å; L250-N252 VanDerWaalsContact C-N 3.29Å; L250-N252 PolarHBondContact O-N 2.99Å; N252-G254 PolarHBondContact O-N 2.89Å; N252-A255 WeakPolarHBondContact O-CA 3.29Å; N252-A255 WeakPolarHBondContact O-CB 3.43Å; N252-A255 PolarHBondContact O-N 3.34Å; N252-T256 PolarHBondContact O-N 3.23Å; N252-T256 PolarHBondContact O-OG1 3.44Å
253I98.9Very high98.7Very high0 Ų022.5 Ų22.50%012%0.124CC..Hα-helixtrans-56.8-39.4170.8-66.8166.8000110.7D176 L180 A249 L250 T256 V257 L347D176-I253 HydrophobicContact CB-CG1 3.81Å; D176-I253 PolarHBondContact OD1-N 2.96Å; L180-I253 HydrophobicContact CD1-CD1 3.84Å; L180-I253 HydrophobicContact CD2-CD1 4.03Å; L180-I253 HydrophobicContact CG-CD1 4.13Å; A249-I253 PolarHBondContact O-N 2.97Å; L250-I253 HydrophobicContact CD2-CD1 4.23Å; L250-I253 WeakPolarHBondContact O-CB 3.41Å; L250-I253 PolarHBondContact O-N 3.47Å; I253-T256 PolarHBondContact O-N 3.42Å; I253-V257 HydrophobicContact CG2-CG2 4.06Å; I253-V257 WeakPolarHBondContact O-CB 3.48Å; I253-V257 WeakPolarHBondContact O-CG2 3.36Å; I253-V257 PolarHBondContact O-N 3.26Å; I253-L347 HydrophobicContact CG2-CD2 4.07Å; I253-L347 HydrophobicContact CG2-CG 4.3Å
254G98.8Very high98.7Very high0 Ų022.6 Ų22.60%012%0.124CC..Hα-helixtrans-56.4-50.4171.900000112.1L250 S251 N252 T256 V257 H258 A303L250-G254 PolarHBondContact O-N 3.21Å; S251-G254 WeakPolarHBondContact O-CA 3.41Å; S251-G254 PolarHBondContact O-N 3.09Å; N252-G254 PolarHBondContact O-N 2.89Å; G254-T256 PolarHBondContact O-N 3Å; G254-V257 PolarHBondContact O-N 3.27Å; G254-H258 VanDerWaalsContact O-CB 3.28Å; G254-H258 WeakPolarHBondContact O-CB 3.37Å; G254-H258 PolarHBondContact O-N 3.27Å; G254-A303 VanDerWaalsContact O-CB 3.31Å; G254-A303 WeakPolarHBondContact O-CB 3.29Å
255A98.8Very high98.7Very high46 Ų4625.8 Ų25.838%0.3814%0.135SC..Hα-helixtrans-59.6-47.3178.100000112.2S251 N252 H258 K259 M307S251-A255 PolarHBondContact O-N 3.41Å; N252-A255 WeakPolarHBondContact O-CA 3.29Å; N252-A255 WeakPolarHBondContact O-CB 3.43Å; N252-A255 PolarHBondContact O-N 3.34Å; A255-H258 PolarHBondContact O-N 3.27Å; A255-K259 WeakPolarHBondContact O-CB 3.43Å; A255-K259 PolarHBondContact O-N 3.31Å; A255-M307 HydrophobicContact CB-SD 3.91Å
256T98.9Very high98.7Very high11 Ų1126 Ų267%0.06714%0.137CC..Hα-helixtrans-57.9-54.3177.4-59.60000111.5D172 L173 D176 N252 I253 G254 H258 K259 I260D172-T256 HydrophobicContact CB-CG2 3.61Å; L173-T256 HydrophobicContact CD2-CG2 3.69Å; L173-T256 HydrophobicContact CG-CG2 3.82Å; D176-T256 WeakPolarHBondContact OD2-CB 3.45Å; D176-T256 WeakPolarHBondContact OD2-CG2 3.41Å; D176-T256 PolarHBondContact OD2-OG1 2.93Å; N252-T256 PolarHBondContact O-N 3.23Å; N252-T256 PolarHBondContact O-OG1 3.44Å; I253-T256 PolarHBondContact O-N 3.42Å; G254-T256 PolarHBondContact O-N 3Å; T256-H258 VanDerWaalsContact C-N 3.31Å; T256-H258 PolarHBondContact O-N 3.32Å; T256-K259 PolarHBondContact O-N 3.29Å; T256-I260 HydrophobicContact CG2-CD1 3.72Å; T256-I260 HydrophobicContact CG2-CG1 4.47Å; T256-I260 VanDerWaalsContact O-CG1 3.29Å; T256-I260 WeakPolarHBondContact O-CG1 3.48Å; T256-I260 PolarHBondContact O-N 2.68Å
257V98.9Very high98.7Very high0 Ų026.3 Ų26.30%014%0.139CC..Hα-helixtrans-60.7-41.8180171.80000111I253 G254 K259 C261 A299 A303 C346 L350I253-V257 HydrophobicContact CG2-CG2 4.06Å; I253-V257 WeakPolarHBondContact O-CB 3.48Å; I253-V257 WeakPolarHBondContact O-CG2 3.36Å; I253-V257 PolarHBondContact O-N 3.26Å; G254-V257 PolarHBondContact O-N 3.27Å; V257-K259 PolarHBondContact O-N 3.23Å; V257-C261 VanDerWaalsContact O-CB 3.26Å; V257-C261 WeakPolarHBondContact O-CB 3.29Å; V257-C261 PolarHBondContact O-N 2.86Å; V257-C261 PolarHBondContact O-SG 3.4Å; V257-C261 VanDerWaalsContact O-SG 3.32Å; V257-A299 HydrophobicContact CG1-CB 3.89Å; V257-A303 HydrophobicContact CB-CB 4.3Å; V257-A303 HydrophobicContact CG1-CB 4.21Å; V257-C346 HydrophobicContact CG1-CB 4.15Å; V257-C346 HydrophobicContact CG2-CB 4.17Å; V257-L350 HydrophobicContact CG2-CD2 4.05Å
258H98.9Very high98.7Very high42 Ų4227 Ų2719%0.19414%0.144CC..Hα-helixtrans-62.4-43.9178.4-167.3-63.9000111.2G254 A255 T256 T262 C300 A303 R304 M307G254-H258 VanDerWaalsContact O-CB 3.28Å; G254-H258 WeakPolarHBondContact O-CB 3.37Å; G254-H258 PolarHBondContact O-N 3.27Å; A255-H258 PolarHBondContact O-N 3.27Å; T256-H258 VanDerWaalsContact C-N 3.31Å; T256-H258 PolarHBondContact O-N 3.32Å; H258-T262 PolarHBondContact CE1-OG1 2.98Å; H258-T262 PolarHBondContact ND1-OG1 3.19Å; H258-T262 VanDerWaalsContact O-CB 3.26Å; H258-T262 WeakPolarHBondContact O-CB 3.39Å; H258-T262 PolarHBondContact O-N 3.42Å; H258-T262 PolarHBondContact O-OG1 3.33Å; H258-C300 PolarHBondContact CD2-O 2.99Å; H258-C300 VanDerWaalsContact CD2-O 3.26Å; H258-A303 HydrophobicContact CB-CB 3.96Å; H258-R304 PolarHBondContact NE2-NH2 3.44Å; H258-R304 VanDerWaalsContact NE2-NH2 3.1Å; H258-M307 HydrophobicContact CB-CE 4.24Å
259K98.9Very high98.7Very high69 Ų6927.5 Ų27.530%0.315%0.152SC..Hα-helixtrans-64.4-49.5179-178.3-95.9-172.8-70.70111.6A255 T256 V257 C261 T262 D263A255-K259 WeakPolarHBondContact O-CB 3.43Å; A255-K259 PolarHBondContact O-N 3.31Å; T256-K259 PolarHBondContact O-N 3.29Å; V257-K259 PolarHBondContact O-N 3.23Å; K259-C261 PolarHBondContact O-N 3.02Å; K259-T262 PolarHBondContact O-N 2.88Å; K259-D263 VanDerWaalsContact NZ-CG 3.3Å; K259-D263 IonicContact NZ-OD1 2.77Å; K259-D263 PolarHBondContact NZ-OD1 2.8Å; K259-D263 IonicContact NZ-OD2 2.95Å; K259-D263 PolarHBondContact NZ-OD2 3.43Å; K259-D263 PolarHBondContact O-N 3.34Å
260I98.9Very high98.6Very high0 Ų029.8 Ų29.80%016%0.162CC..Hα-helixtrans-59.4-50.4179-63.3170.9000110.7W169 L173 T256 T262 D263 I264 L350W169-I260 HydrophobicContact CB-CD1 3.78Å; W169-I260 HydrophobicContact CB-CG1 3.67Å; W169-I260 HydrophobicContact CB-CG2 4.4Å; W169-I260 HydrophobicContact CD2-CG2 3.96Å; W169-I260 HydrophobicContact CE3-CG2 4.08Å; W169-I260 HydrophobicContact CG-CB 4.4Å; W169-I260 HydrophobicContact CG-CD1 4.42Å; W169-I260 HydrophobicContact CG-CG1 3.79Å; W169-I260 HydrophobicContact CG-CG2 4.1Å; L173-I260 HydrophobicContact CD1-CD1 4.09Å; L173-I260 HydrophobicContact CG-CD1 4.14Å; T256-I260 HydrophobicContact CG2-CD1 3.72Å; T256-I260 HydrophobicContact CG2-CG1 4.47Å; T256-I260 VanDerWaalsContact O-CG1 3.29Å; T256-I260 WeakPolarHBondContact O-CG1 3.48Å; T256-I260 PolarHBondContact O-N 2.68Å; I260-T262 VanDerWaalsContact C-N 3.28Å; I260-T262 PolarHBondContact O-N 2.9Å; I260-D263 WeakPolarHBondContact O-CB 3.49Å; I260-D263 PolarHBondContact O-N 3.25Å; I260-I264 HydrophobicContact CG2-CD1 4Å; I260-I264 WeakPolarHBondContact O-CG1 3.43Å; I260-I264 PolarHBondContact O-N 2.94Å; I260-L350 HydrophobicContact CD1-CD2 4.21Å; I260-L350 HydrophobicContact CG2-CD1 3.89Å
261C98.9Very high98.5Very high0 Ų035.7 Ų35.70%019%0.189CC..Hα-helixtrans-69.3-27.4-177.9-680000112.4V257 K259 R265 S296 A299 C300V257-C261 VanDerWaalsContact O-CB 3.26Å; V257-C261 WeakPolarHBondContact O-CB 3.29Å; V257-C261 PolarHBondContact O-N 2.86Å; V257-C261 PolarHBondContact O-SG 3.4Å; V257-C261 VanDerWaalsContact O-SG 3.32Å; K259-C261 PolarHBondContact O-N 3.02Å; C261-R265 WeakPolarHBondContact O-CD 3.33Å; C261-R265 WeakPolarHBondContact O-CG 3.36Å; C261-R265 PolarHBondContact O-N 3.34Å; C261-S296 WeakPolarHBondContact CB-O 3.5Å; C261-A299 HydrophobicContact CB-CB 4.29Å; C261-A299 VanDerWaalsContact SG-CB 3.52Å; C261-C300 VanDerWaalsContact CB-SG 3.52Å
262T98.9Very high98.5Very high38 Ų3834.9 Ų34.923%0.23318%0.183CC..Hα-helixtrans-67.6-44.7171.3-61.10000111.1H258 K259 I260 I264 R265 L266H258-T262 PolarHBondContact CE1-OG1 2.98Å; H258-T262 PolarHBondContact ND1-OG1 3.19Å; H258-T262 VanDerWaalsContact O-CB 3.26Å; H258-T262 WeakPolarHBondContact O-CB 3.39Å; H258-T262 PolarHBondContact O-N 3.42Å; H258-T262 PolarHBondContact O-OG1 3.33Å; K259-T262 PolarHBondContact O-N 2.88Å; I260-T262 VanDerWaalsContact C-N 3.28Å; I260-T262 PolarHBondContact O-N 2.9Å; T262-I264 VanDerWaalsContact C-N 3.32Å; T262-I264 PolarHBondContact O-N 2.89Å; T262-R265 PolarHBondContact O-N 2.98Å; T262-L266 HydrophobicContact CG2-CD1 4.34Å; T262-L266 WeakPolarHBondContact O-CG 3.49Å; T262-L266 PolarHBondContact O-N 3.24Å
263D98.8Very high98.5Very high37 Ų3731.4 Ų31.420%0.19817%0.165CC..Hα-helixtrans-58.8-44.9175.1-72.9-0.3000111W169 K259 I260 R265 L266 L267W169-D263 HydrophobicContact CZ2-CB 3.84Å; W169-D263 PolarHBondContact NE1-OD2 2.87Å; K259-D263 VanDerWaalsContact NZ-CG 3.3Å; K259-D263 IonicContact NZ-OD1 2.77Å; K259-D263 PolarHBondContact NZ-OD1 2.8Å; K259-D263 IonicContact NZ-OD2 2.95Å; K259-D263 PolarHBondContact NZ-OD2 3.43Å; K259-D263 PolarHBondContact O-N 3.34Å; I260-D263 WeakPolarHBondContact O-CB 3.49Å; I260-D263 PolarHBondContact O-N 3.25Å; D263-R265 VanDerWaalsContact C-N 3.33Å; D263-R265 PolarHBondContact O-N 3.04Å; D263-L266 PolarHBondContact O-N 2.97Å; D263-L267 VanDerWaalsContact O-CG 3.25Å; D263-L267 WeakPolarHBondContact O-CG 3.16Å; D263-L267 PolarHBondContact O-N 3.46Å
264I98.7Very high98.4Very high2 Ų232.7 Ų32.71%0.0117%0.171CC..Hα-helixtrans-61.1-41.7178.4-67170.8000111.3W169 I260 T262 L266 L267 S268 S296 I353 L357W169-I264 HydrophobicContact CH2-CG1 3.89Å; W169-I264 HydrophobicContact CZ2-CG1 4.38Å; W169-I264 HydrophobicContact CZ3-CD1 4.45Å; W169-I264 HydrophobicContact CZ3-CG1 4.31Å; I260-I264 HydrophobicContact CG2-CD1 4Å; I260-I264 WeakPolarHBondContact O-CG1 3.43Å; I260-I264 PolarHBondContact O-N 2.94Å; T262-I264 VanDerWaalsContact C-N 3.32Å; T262-I264 PolarHBondContact O-N 2.89Å; I264-L266 VanDerWaalsContact C-N 3.34Å; I264-L266 PolarHBondContact O-N 2.91Å; I264-L267 PolarHBondContact O-N 3.28Å; I264-S268 WeakPolarHBondContact O-CB 3.34Å; I264-S268 PolarHBondContact O-N 3.37Å; I264-S296 WeakPolarHBondContact CG2-OG 3.44Å; I264-I353 HydrophobicContact CD1-CG2 3.73Å; I264-L357 HydrophobicContact CD1-CD1 4.24Å
265R98.7Very high98.3Very high86 Ų8633.1 Ų33.133%0.32517%0.173SC..Hα-helixtrans-62-41.7175.9-70.1163.666.9-148.30.1111.9C261 T262 D263 S268 S269 P293 E297C261-R265 WeakPolarHBondContact O-CD 3.33Å; C261-R265 WeakPolarHBondContact O-CG 3.36Å; C261-R265 PolarHBondContact O-N 3.34Å; T262-R265 PolarHBondContact O-N 2.98Å; D263-R265 VanDerWaalsContact C-N 3.33Å; D263-R265 PolarHBondContact O-N 3.04Å; R265-S268 PolarHBondContact O-N 2.9Å; R265-S269 PolarHBondContact O-N 3.41Å; R265-P293 HydrophobicContact CB-CG 4.21Å; R265-P293 HydrophobicContact CG-CB 4Å; R265-P293 HydrophobicContact CG-CG 3.75Å; R265-E297 HydrophobicContact CG-CG 4.37Å; R265-E297 IonicContact NH2-OE1 3.38Å
266L98.7Very high97.9Very high59 Ų5931.9 Ų31.931%0.30916%0.161SC..Hα-helixtrans-64.9-46.7175.4-68.3171.2000111.3L154 T262 D263 I264 S268 S269 F270L154-L266 HydrophobicContact CD1-CD1 4.09Å; L154-L266 HydrophobicContact CD1-CD2 4.49Å; L154-L266 HydrophobicContact CD2-CD2 4.32Å; T262-L266 HydrophobicContact CG2-CD1 4.34Å; T262-L266 WeakPolarHBondContact O-CG 3.49Å; T262-L266 PolarHBondContact O-N 3.24Å; D263-L266 PolarHBondContact O-N 2.97Å; I264-L266 VanDerWaalsContact C-N 3.34Å; I264-L266 PolarHBondContact O-N 2.91Å; L266-S268 PolarHBondContact O-N 3.38Å; L266-S269 WeakPolarHBondContact O-CA 3.32Å; L266-S269 WeakPolarHBondContact O-CB 3.48Å; L266-S269 PolarHBondContact O-N 3.5Å; L266-S269 PolarHBondContact O-OG 3.48Å; L266-F270 HydrophobicContact CB-CE2 4.17Å; L266-F270 WeakPolarHBondContact O-CD2 3.32Å; L266-F270 WeakPolarHBondContact O-CG 3.48Å; L266-F270 PolarHBondContact O-N 3.39Å; L266-F270 VanDerWaalsContact O-N 3.12Å
267L98.5Very high97.3Very high7 Ų734.3 Ų34.34%0.03717%0.171CC..Hα-helixtrans-62-34.3177.6-65.8169.2000112.3M162 R165 W169 D263 I264 F270 H271 E272 V273M162-L267 HydrophobicContact CE-CD1 4.19Å; R165-L267 VanDerWaalsContact NH1-CD2 3.25Å; W169-L267 HydrophobicContact CH2-CD1 4.12Å; W169-L267 HydrophobicContact CZ2-CD1 4.09Å; D263-L267 VanDerWaalsContact O-CG 3.25Å; D263-L267 WeakPolarHBondContact O-CG 3.16Å; D263-L267 PolarHBondContact O-N 3.46Å; I264-L267 PolarHBondContact O-N 3.28Å; L267-F270 CarbonylContact O-C 3.47Å; L267-F270 PolarHBondContact O-N 3.29Å; L267-H271 PolarHBondContact O-N 3.01Å; L267-E272 HydrophobicContact CB-CB 4.48Å; L267-E272 HydrophobicContact CD2-CB 4.37Å; L267-E272 WeakPolarHBondContact CD2-OE2 3.4Å; L267-E272 PolarHBondContact O-N 2.68Å; L267-V273 HydrophobicContact CB-CB 3.79Å; L267-V273 HydrophobicContact CB-CG2 3.98Å; L267-V273 HydrophobicContact CD1-CB 4.45Å; L267-V273 HydrophobicContact CD1-CG2 4Å; L267-V273 HydrophobicContact CG-CG2 4.49Å; L267-V273 PolarHBondContact O-N 3.32Å
268S97.6Very high96.5Very high14 Ų1439.3 Ų39.310%0.09819%0.194CC..Hα-helixtrans-65.6-38.7171.9-1770000112.5I264 R265 L266 F270 H271 V273I264-S268 WeakPolarHBondContact O-CB 3.34Å; I264-S268 PolarHBondContact O-N 3.37Å; R265-S268 PolarHBondContact O-N 2.9Å; L266-S268 PolarHBondContact O-N 3.38Å; S268-F270 PolarHBondContact O-N 3.14Å; S268-H271 PolarHBondContact O-N 3.42Å; S268-V273 WeakPolarHBondContact CA-O 3.14Å; S268-V273 WeakPolarHBondContact CB-O 3.45Å; S268-V273 PolarHBondContact N-O 2.96Å
269S97.7Very high95.6Very high72 Ų7244.5 Ų44.550%0.50323%0.229SC..Hα-helixtrans-65.7-23.6173.1790000113.5R265 L266 H271R265-S269 PolarHBondContact O-N 3.41Å; L266-S269 WeakPolarHBondContact O-CA 3.32Å; L266-S269 WeakPolarHBondContact O-CB 3.48Å; L266-S269 PolarHBondContact O-N 3.5Å; L266-S269 PolarHBondContact O-OG 3.48Å; S269-H271 VanDerWaalsContact C-N 3.33Å
270F97.7Very high94.8Very high51 Ų5150.3 Ų50.322%0.22425%0.254CS..THydrogen-bonded Turntrans-90.52.2173-51.7-39.3000113.2R151 L154 L266 L267 S268 E272 N367R151-F270 VanDerWaalsContact CZ-CE2 3.49Å; L154-F270 HydrophobicContact CD1-CE2 4.23Å; L154-F270 HydrophobicContact CD1-CZ 3.9Å; L154-F270 HydrophobicContact CG-CZ 4.36Å; L266-F270 HydrophobicContact CB-CE2 4.17Å; L266-F270 WeakPolarHBondContact O-CD2 3.32Å; L266-F270 WeakPolarHBondContact O-CG 3.48Å; L266-F270 PolarHBondContact O-N 3.39Å; L266-F270 VanDerWaalsContact O-N 3.12Å; L267-F270 CarbonylContact O-C 3.47Å; L267-F270 PolarHBondContact O-N 3.29Å; S268-F270 PolarHBondContact O-N 3.14Å; F270-E272 HydrophobicContact CB-CG 3.93Å; F270-E272 PolarHBondContact O-N 2.95Å; F270-E272 VanDerWaalsContact O-N 3.13Å; F270-N367 PolarHBondContact O-ND2 3.46Å
271H97.1Very high94Very high125 Ų12551.8 Ų51.858%0.57926%0.261SS*.THydrogen-bonded Turntrans5818.7-174.2-51.7-70.7000114.3L267 S268 S269 Y360 V363L267-H271 PolarHBondContact O-N 3.01Å; S268-H271 PolarHBondContact O-N 3.42Å; S269-H271 VanDerWaalsContact C-N 3.33Å; H271-Y360 WeakPolarHBondContact O-CD2 3.43Å; H271-V363 HydrophobicContact CB-CG1 3.99Å; H271-V363 WeakPolarHBondContact O-CG1 3.5Å
272E98.4Very high92.5Very high0 Ų058.3 Ų58.30%030%0.295CS..SBendtrans-82-34.7-178.6-70.7-179.7-174.800111.5R151 R165 L267 F270 Y360 M364 N367R151-E272 IonicContact CZ-OE1 2.87Å; R151-E272 IonicContact CZ-OE2 2.64Å; R151-E272 IonicContact NH1-OE1 3.74Å; R151-E272 PolarHBondContact NH1-OE1 3.36Å; R151-E272 IonicContact NH1-OE2 3.22Å; R151-E272 PolarHBondContact NH1-OE2 3.27Å; R151-E272 IonicContact NH2-OE1 2.89Å; R151-E272 PolarHBondContact NH2-OE1 3.07Å; R151-E272 IonicContact NH2-OE2 3.93Å; R165-E272 IonicContact NH1-OE2 3.77Å; L267-E272 HydrophobicContact CB-CB 4.48Å; L267-E272 HydrophobicContact CD2-CB 4.37Å; L267-E272 WeakPolarHBondContact CD2-OE2 3.4Å; L267-E272 PolarHBondContact O-N 2.68Å; F270-E272 HydrophobicContact CB-CG 3.93Å; F270-E272 PolarHBondContact O-N 2.95Å; F270-E272 VanDerWaalsContact O-N 3.13Å; E272-Y360 PolarHBondContact O-N 2.94Å; E272-M364 HydrophobicContact CB-CE 3.78Å; E272-M364 HydrophobicContact CB-CG 3.87Å; E272-M364 HydrophobicContact CG-CG 3.76Å; E272-M364 WeakPolarHBondContact O-CE 3.5Å; E272-N367 WeakPolarHBondContact CG-ND2 3.35Å; E272-N367 PolarHBondContact OE1-ND2 3.47Å
273V98.1Very high91Very high0 Ų057.4 Ų57.40%029%0.293CS..EExtended strand (participates in β ladder)trans-142.7141.2-175.1177.50000110.3M162 L267 S268 L357 I358 V359 M364M162-V273 HydrophobicContact CE-CG2 3.82Å; M162-V273 HydrophobicContact SD-CG2 4.38Å; L267-V273 HydrophobicContact CB-CB 3.79Å; L267-V273 HydrophobicContact CB-CG2 3.98Å; L267-V273 HydrophobicContact CD1-CB 4.45Å; L267-V273 HydrophobicContact CD1-CG2 4Å; L267-V273 HydrophobicContact CG-CG2 4.49Å; L267-V273 PolarHBondContact O-N 3.32Å; S268-V273 WeakPolarHBondContact CA-O 3.14Å; S268-V273 WeakPolarHBondContact CB-O 3.45Å; S268-V273 PolarHBondContact N-O 2.96Å; V273-L357 HydrophobicContact CG1-CD1 3.48Å; V273-L357 VanDerWaalsContact CG1-CD1 3.48Å; V273-L357 HydrophobicContact CG1-CD2 4.26Å; V273-L357 HydrophobicContact CG1-CG 3.78Å; V273-I358 CarbonylContact C-O 3.43Å; V273-I358 VanDerWaalsContact CA-O 3.24Å; V273-I358 WeakPolarHBondContact CA-O 3.41Å; V273-I358 WeakPolarHBondContact CG1-O 3.26Å; V273-V359 HydrophobicContact CG2-CG2 4.41Å; V273-M364 HydrophobicContact CG2-CE 3.73Å
274E97Very high89.9Confident28 Ų2856.9 Ų56.913%0.13129%0.292CS..EExtended strand (participates in β ladder)trans-124.5150.2169.8-76.4-177177.500111R291 I358 Y360E274-R291 WeakPolarHBondContact OE2-CD 3.04Å; E274-R291 IonicContact OE2-CZ 2.97Å; E274-R291 IonicContact OE2-NE 3.58Å; E274-R291 IonicContact OE2-NH1 2.86Å; E274-R291 PolarHBondContact OE2-NH1 3.1Å; E274-I358 HydrophobicContact CB-CB 4.33Å; E274-I358 PolarHBondContact N-O 2.96Å; E274-I358 PolarHBondContact O-N 3.49Å; E274-Y360 HydrophobicContact CB-CE2 4.09Å; E274-Y360 HydrophobicContact CG-CE2 3.81Å; E274-Y360 PolarHBondContact OE2-OH 3.49Å
275E95.7Very high89Confident8 Ų862.9 Ų62.94%0.03733%0.334CS..  trans-70.9156.7165.969.6177.4-151.400110.5F277 P293 I294 R295 S296E275-F277 PolarHBondContact O-N 3.23Å; E275-P293 VanDerWaalsContact CD-C 3.41Å; E275-P293 VanDerWaalsContact OE2-CA 3.29Å; E275-P293 WeakPolarHBondContact OE2-CA 3.29Å; E275-I294 WeakPolarHBondContact OE1-CG1 3.47Å; E275-I294 PolarHBondContact OE1-N 3.38Å; E275-I294 PolarHBondContact OE2-N 3.34Å; E275-R295 PolarHBondContact OE1-N 3.33Å; E275-R295 WeakPolarHBondContact OE2-CA 3.41Å; E275-R295 WeakPolarHBondContact OE2-CB 3.47Å; E275-R295 PolarHBondContact OE2-N 3.07Å; E275-S296 PolarHBondContact OE2-N 3.47Å; E275-S296 VanDerWaalsContact OE2-N 3.08Å
276P92Very high88.1Confident20 Ų2062.7 Ų62.713%0.1335%0.351CS..  trans-57.1132.6178.35-12.7000111.8R295 N352 G356P276-R295 VanDerWaalsContact CG-NH1 3.34Å; P276-R295 VanDerWaalsContact O-CZ 3.3Å; P276-R295 PolarHBondContact O-NH1 3.15Å; P276-R295 PolarHBondContact O-NH2 3.02Å; P276-N352 WeakPolarHBondContact CG-O 3.26Å; P276-G356 WeakPolarHBondContact CB-O 2.97Å; P276-G356 WeakPolarHBondContact CD-O 3.47Å
277F85Confident87.3Confident63 Ų6363 Ų6328%0.27635%0.352SS..  trans-110.2121.6-178.4-162.6-93000110.8E275 Q281 R291E275-F277 PolarHBondContact O-N 3.23Å; F277-Q281 HydrophobicContact CD1-CB 4.25Å; F277-Q281 HydrophobicContact CD2-CG 4.24Å; F277-Q281 HydrophobicContact CE1-CB 3.89Å; F277-Q281 HydrophobicContact CE1-CG 4.44Å; F277-Q281 WeakPolarHBondContact CE1-O 3.19Å; F277-Q281 HydrophobicContact CE2-CB 4.18Å; F277-Q281 HydrophobicContact CE2-CG 3.81Å; F277-Q281 HydrophobicContact CZ-CB 3.87Å; F277-Q281 HydrophobicContact CZ-CG 3.94Å; F277-Q281 WeakPolarHBondContact CZ-O 3.34Å; F277-R291 HydrophobicContact CD2-CB 4.48Å; F277-R291 HydrophobicContact CD2-CG 4.04Å; F277-R291 HydrophobicContact CE2-CB 4.4Å; F277-R291 HydrophobicContact CE2-CG 3.87Å; F277-R291 HydrophobicContact CZ-CG 4.42Å
278E82.9Confident86.5Confident104 Ų10468.9 Ų68.949%0.48639%0.39SS..  trans-74150.4178.7-67.8164.1-143.300111.5K280 Q281 R295E278-K280 PolarHBondContact O-N 3.1Å; E278-K280 VanDerWaalsContact O-N 3.12Å; E278-Q281 HydrophobicContact CB-CB 3.99Å; E278-Q281 VanDerWaalsContact O-CB 3.3Å; E278-Q281 WeakPolarHBondContact O-CB 3.39Å; E278-Q281 PolarHBondContact O-N 3.2Å; E278-R295 IonicContact OE1-CZ 2.72Å; E278-R295 IonicContact OE1-NH2 3.5Å; E278-R295 PolarHBondContact OE1-NH2 3.42Å
279T78.8Confident85.8Confident151 Ų15177.2 Ų77.293%0.92642%0.421SS*.THydrogen-bonded Turntrans-59.1-29.6-174.551.10000114.2
280K82.3Confident85.4Confident191 Ų19177.8 Ų77.883%0.8341%0.414SS*.THydrogen-bonded Turntrans-104.75178.1-63.4-174.7179.9-179.60113.4E278 I282E278-K280 PolarHBondContact O-N 3.1Å; E278-K280 VanDerWaalsContact O-N 3.12Å; K280-I282 PolarHBondContact O-N 2.98Å
281Q82.4Confident85Confident31 Ų3180.6 Ų80.615%0.14542%0.423CS..  trans-69.4129-178.1-176.8173.2-16.900110.2F277 E278F277-Q281 HydrophobicContact CD1-CB 4.25Å; F277-Q281 HydrophobicContact CD2-CG 4.24Å; F277-Q281 HydrophobicContact CE1-CB 3.89Å; F277-Q281 HydrophobicContact CE1-CG 4.44Å; F277-Q281 WeakPolarHBondContact CE1-O 3.19Å; F277-Q281 HydrophobicContact CE2-CB 4.18Å; F277-Q281 HydrophobicContact CE2-CG 3.81Å; F277-Q281 HydrophobicContact CZ-CB 3.87Å; F277-Q281 HydrophobicContact CZ-CG 3.94Å; F277-Q281 WeakPolarHBondContact CZ-O 3.34Å; E278-Q281 HydrophobicContact CB-CB 3.99Å; E278-Q281 VanDerWaalsContact O-CB 3.3Å; E278-Q281 WeakPolarHBondContact O-CB 3.39Å; E278-Q281 PolarHBondContact O-N 3.2Å
282I66.6Low84.9Confident138 Ų13876.7 Ų76.771%0.70841%0.406SS*.  trans-94.4115.2171.4-61.6175.8000107.3K280 S284K280-I282 PolarHBondContact O-N 2.98Å; I282-S284 WeakPolarHBondContact CG2-O 3.42Å
283G68.1Low84.8Confident19 Ų1977.4 Ų77.420%0.19641%0.411CS..SBendtrans-73.9-40.8-179.100000113.3K290 N292G283-K290 CarbonylContact C-O 3.56Å; G283-K290 WeakPolarHBondContact CA-O 3.32Å; G283-N292 PolarHBondContact O-ND2 2.91Å
284S76Confident84.7Confident25 Ų2580.4 Ų80.418%0.17543%0.426CS..  trans-145.2139.8174.5176.90000109.9I282 A286 M287I282-S284 WeakPolarHBondContact CG2-O 3.42Å; S284-A286 PolarHBondContact O-N 2.99Å; S284-A286 PolarHBondContact OG-N 2.78Å; S284-M287 WeakPolarHBondContact CB-O 3.29Å; S284-M287 PolarHBondContact OG-N 3.23Å
285S79.6Confident84.7Confident128 Ų12879.6 Ų79.690%0.89542%0.422SS*.SBendtrans-65.9-2217552.50000113.5
286A79.9Confident84.8Confident82 Ų8279.2 Ų79.268%0.67842%0.421SS*.SBendtrans-115.5-24.7-174.700000114.2S284S284-A286 PolarHBondContact O-N 2.99Å; S284-A286 PolarHBondContact OG-N 2.78Å
287M81.8Confident85.1Confident67 Ų6782.1 Ų82.133%0.3343%0.432SS..  trans-12194.4-174.9-68.8174.8-76.900110.7S284 Y289 K290S284-M287 WeakPolarHBondContact CB-O 3.29Å; S284-M287 PolarHBondContact OG-N 3.23Å; M287-Y289 HydrophobicContact CB-CD1 4.47Å; M287-Y289 HydrophobicContact CB-CE1 4.12Å; M287-Y289 HydrophobicContact CG-CE1 4.41Å; M287-Y289 PolarHBondContact O-N 2.67Å; M287-Y289 VanDerWaalsContact O-N 3.15Å; M287-K290 HydrophobicContact CB-CB 3.82Å; M287-K290 HydrophobicContact CE-CD 3.56Å; M287-K290 WeakPolarHBondContact O-CB 3.1Å; M287-K290 PolarHBondContact O-N 3.48Å; M287-K290 HydrophobicContact SD-CD 4.1Å
288P81.2Confident85.7Confident130 Ų13081.3 Ų81.384%0.84443%0.427SS*.THydrogen-bonded Turntrans-64.7-23.5-170.323.9-33.7000114.3
289Y84.2Confident86.5Confident188 Ų18876.3 Ų76.374%0.73740%0.404SS*.THydrogen-bonded Turntrans-81.1-1817772.9-90.6000113.3M287 R291M287-Y289 HydrophobicContact CB-CD1 4.47Å; M287-Y289 HydrophobicContact CB-CE1 4.12Å; M287-Y289 HydrophobicContact CG-CE1 4.41Å; M287-Y289 PolarHBondContact O-N 2.67Å; M287-Y289 VanDerWaalsContact O-N 3.15Å; Y289-R291 PolarHBondContact O-N 3.33Å
290K89Confident87.4Confident85 Ų8569.2 Ų69.237%0.3736%0.36SS..  trans-82.2119.5-168-171.3177.8-172.7-174.80110.9G283 M287 N292G283-K290 CarbonylContact C-O 3.56Å; G283-K290 WeakPolarHBondContact CA-O 3.32Å; M287-K290 HydrophobicContact CB-CB 3.82Å; M287-K290 HydrophobicContact CE-CD 3.56Å; M287-K290 WeakPolarHBondContact O-CB 3.1Å; M287-K290 PolarHBondContact O-N 3.48Å; M287-K290 HydrophobicContact SD-CD 4.1Å; K290-N292 WeakPolarHBondContact CE-OD1 2.99Å
291R89.8Confident88.2Confident110 Ų11063.3 Ų63.342%0.41534%0.343SS..  trans-101.6129.8169.1-64.7-178.9174.2-178.9-1.1109.5E274 F277 Y289E274-R291 WeakPolarHBondContact OE2-CD 3.04Å; E274-R291 IonicContact OE2-CZ 2.97Å; E274-R291 IonicContact OE2-NE 3.58Å; E274-R291 IonicContact OE2-NH1 2.86Å; E274-R291 PolarHBondContact OE2-NH1 3.1Å; F277-R291 HydrophobicContact CD2-CB 4.48Å; F277-R291 HydrophobicContact CD2-CG 4.04Å; F277-R291 HydrophobicContact CE2-CB 4.4Å; F277-R291 HydrophobicContact CE2-CG 3.87Å; F277-R291 HydrophobicContact CZ-CG 4.42Å; Y289-R291 PolarHBondContact O-N 3.33Å
292N94.5Very high89Confident42 Ų4262.6 Ų62.623%0.22534%0.341CS..  trans-111.9139.2-179.2-67.4-47.6000109.3G283 K290 I294G283-N292 PolarHBondContact O-ND2 2.91Å; K290-N292 WeakPolarHBondContact CE-OD1 2.99Å; N292-I294 HydrophobicContact CB-CG2 3.67Å; N292-I294 PolarHBondContact O-N 2.92Å
293P96.1Very high90.5Very high15 Ų1556 Ų5610%0.09731%0.307CS..  trans-7758.4176.333.8-37.5000111.9R265 E275 R295 S296 E297R265-P293 HydrophobicContact CB-CG 4.21Å; R265-P293 HydrophobicContact CG-CB 4Å; R265-P293 HydrophobicContact CG-CG 3.75Å; E275-P293 VanDerWaalsContact CD-C 3.41Å; E275-P293 VanDerWaalsContact OE2-CA 3.29Å; E275-P293 WeakPolarHBondContact OE2-CA 3.29Å; P293-R295 VanDerWaalsContact C-N 3.3Å; P293-R295 PolarHBondContact O-N 3.15Å; P293-S296 PolarHBondContact O-N 2.88Å; P293-E297 WeakPolarHBondContact O-CG 3.41Å; P293-E297 PolarHBondContact O-N 3.29Å
294I95.6Very high92Very high63 Ų6360.4 Ų60.432%0.32332%0.317SS..Hα-helixtrans-67.1-27.9-169.963.8171000113E275 N292 R298E275-I294 WeakPolarHBondContact OE1-CG1 3.47Å; E275-I294 PolarHBondContact OE1-N 3.38Å; E275-I294 PolarHBondContact OE2-N 3.34Å; N292-I294 HydrophobicContact CB-CG2 3.67Å; N292-I294 PolarHBondContact O-N 2.92Å; I294-R298 WeakPolarHBondContact O-CB 3.18Å; I294-R298 PolarHBondContact O-N 3.38Å
295R96.6Very high93Very high12 Ų1263.3 Ų63.35%0.04533%0.325CS..Hα-helixtrans-74.5-43.9176.9-61.1178.2-178.2141.913.5109.6E275 P276 E278 P293 E297 R298 A299 L349 N352 I353 I478E275-R295 PolarHBondContact OE1-N 3.33Å; E275-R295 WeakPolarHBondContact OE2-CA 3.41Å; E275-R295 WeakPolarHBondContact OE2-CB 3.47Å; E275-R295 PolarHBondContact OE2-N 3.07Å; P276-R295 VanDerWaalsContact CG-NH1 3.34Å; P276-R295 VanDerWaalsContact O-CZ 3.3Å; P276-R295 PolarHBondContact O-NH1 3.15Å; P276-R295 PolarHBondContact O-NH2 3.02Å; E278-R295 IonicContact OE1-CZ 2.72Å; E278-R295 IonicContact OE1-NH2 3.5Å; E278-R295 PolarHBondContact OE1-NH2 3.42Å; P293-R295 VanDerWaalsContact C-N 3.3Å; P293-R295 PolarHBondContact O-N 3.15Å; R295-E297 VanDerWaalsContact C-N 3.31Å; R295-E297 PolarHBondContact O-N 3.44Å; R295-R298 PolarHBondContact O-N 2.92Å; R295-A299 WeakPolarHBondContact O-CB 3.05Å; R295-A299 PolarHBondContact O-N 3.48Å; R295-L349 HydrophobicContact CB-CD2 4.45Å; R295-N352 WeakPolarHBondContact CD-OD1 3.38Å; R295-N352 PolarHBondContact NE-OD1 3.39Å; R295-N352 PolarHBondContact NH1-OD1 3.5Å; R295-I353 HydrophobicContact CB-CD1 3.81Å; R295-I353 HydrophobicContact CB-CG1 3.83Å; R295-I478 HydrophobicContact CG-CD1 4.21Å
296S98.4Very high93.9Very high0 Ų057.2 Ų57.20%028%0.282CS..Hα-helixtrans-60.9-39.6172.1-63.60000112.1C261 I264 E275 P293 A299 C300C261-S296 WeakPolarHBondContact CB-O 3.5Å; I264-S296 WeakPolarHBondContact CG2-OG 3.44Å; E275-S296 PolarHBondContact OE2-N 3.47Å; E275-S296 VanDerWaalsContact OE2-N 3.08Å; P293-S296 PolarHBondContact O-N 2.88Å; S296-A299 PolarHBondContact O-N 3.15Å; S296-C300 PolarHBondContact O-N 2.73Å; S296-C300 PolarHBondContact O-SG 2.99Å; S296-C300 VanDerWaalsContact O-SG 3.37Å
297E98.5Very high94.8Very high81 Ų8155.7 Ų55.738%0.37926%0.262SS..Hα-helixtrans-63.4-45.5175.2-74.8178.3147.900112.6R265 P293 R295 A299 C300 S301R265-E297 HydrophobicContact CG-CG 4.37Å; R265-E297 IonicContact NH2-OE1 3.38Å; P293-E297 WeakPolarHBondContact O-CG 3.41Å; P293-E297 PolarHBondContact O-N 3.29Å; R295-E297 VanDerWaalsContact C-N 3.31Å; R295-E297 PolarHBondContact O-N 3.44Å; E297-A299 VanDerWaalsContact C-N 3.34Å; E297-A299 PolarHBondContact O-N 2.79Å; E297-C300 PolarHBondContact O-N 3.43Å; E297-S301 PolarHBondContact O-N 3.08Å
298R98.1Very high95.5Very high45 Ų4558.7 Ų58.717%0.1728%0.275CS..Hα-helixtrans-61.4-43.8175.2-171.7-173.7-58.9177.15.8111.4Y15 I294 R295 S301 L302 L349Y15-R298 HydrophobicContact CE1-CG 4.39Å; I294-R298 WeakPolarHBondContact O-CB 3.18Å; I294-R298 PolarHBondContact O-N 3.38Å; R295-R298 PolarHBondContact O-N 2.92Å; R298-S301 WeakPolarHBondContact O-CB 3.3Å; R298-S301 PolarHBondContact O-N 2.64Å; R298-S301 VanDerWaalsContact O-N 3.13Å; R298-L302 HydrophobicContact CG-CD1 4.3Å; R298-L302 PolarHBondContact O-N 3.32Å; R298-L349 HydrophobicContact CB-CD1 4.22Å; R298-L349 HydrophobicContact CG-CD1 3.9Å
299A98.5Very high96.1Very high0 Ų053 Ų530%024%0.237CC..Hα-helixtrans-60.5-47.1177.100000111.1V257 C261 R295 S296 E297 S301 L302 A303 L349V257-A299 HydrophobicContact CG1-CB 3.89Å; C261-A299 HydrophobicContact CB-CB 4.29Å; C261-A299 VanDerWaalsContact SG-CB 3.52Å; R295-A299 WeakPolarHBondContact O-CB 3.05Å; R295-A299 PolarHBondContact O-N 3.48Å; S296-A299 PolarHBondContact O-N 3.15Å; E297-A299 VanDerWaalsContact C-N 3.34Å; E297-A299 PolarHBondContact O-N 2.79Å; A299-S301 VanDerWaalsContact C-N 3.27Å; A299-S301 PolarHBondContact O-N 3.07Å; A299-L302 PolarHBondContact O-N 3.37Å; A299-A303 WeakPolarHBondContact O-CB 3.47Å; A299-A303 PolarHBondContact O-N 2.87Å; A299-L349 HydrophobicContact CB-CB 4.24Å; A299-L349 HydrophobicContact CB-CD1 4.19Å
300C98.9Very high96.5Very high1 Ų144.6 Ų44.61%0.00721%0.206CC..Hα-helixtrans-57.8-38.7172.8-71.50000112.5H258 C261 S296 E297 R304H258-C300 PolarHBondContact CD2-O 2.99Å; H258-C300 VanDerWaalsContact CD2-O 3.26Å; C261-C300 VanDerWaalsContact CB-SG 3.52Å; S296-C300 PolarHBondContact O-N 2.73Å; S296-C300 PolarHBondContact O-SG 2.99Å; S296-C300 VanDerWaalsContact O-SG 3.37Å; E297-C300 PolarHBondContact O-N 3.43Å; C300-R304 WeakPolarHBondContact O-CB 3.43Å; C300-R304 PolarHBondContact O-N 3.33Å
301S98.7Very high96.9Very high68 Ų6844.6 Ų44.648%0.47621%0.213SC..Hα-helixtrans-66.8-48.2180-1650000112.5E297 R298 A299 R304 Y305E297-S301 PolarHBondContact O-N 3.08Å; R298-S301 WeakPolarHBondContact O-CB 3.3Å; R298-S301 PolarHBondContact O-N 2.64Å; R298-S301 VanDerWaalsContact O-N 3.13Å; A299-S301 VanDerWaalsContact C-N 3.27Å; A299-S301 PolarHBondContact O-N 3.07Å; S301-R304 PolarHBondContact O-N 3.03Å; S301-Y305 PolarHBondContact O-N 3.43Å
302L98.6Very high97.2Very high16 Ų1641.3 Ų41.38%0.08421%0.207CC..Hα-helixtrans-67.5-39.9177.6-67.4174.6000111.5L11 Y15 R298 A299 R304 Y305 L306 A345 L349L11-L302 HydrophobicContact CD2-CD2 4.15Å; Y15-L302 HydrophobicContact CD1-CD1 4.4Å; Y15-L302 HydrophobicContact CD2-CD2 3.98Å; Y15-L302 HydrophobicContact CE2-CD2 4.14Å; Y15-L302 HydrophobicContact CG-CD1 4.2Å; Y15-L302 HydrophobicContact CG-CD2 4.48Å; R298-L302 HydrophobicContact CG-CD1 4.3Å; R298-L302 PolarHBondContact O-N 3.32Å; A299-L302 PolarHBondContact O-N 3.37Å; L302-R304 VanDerWaalsContact C-N 3.29Å; L302-R304 PolarHBondContact O-N 3.47Å; L302-Y305 WeakPolarHBondContact O-CB 3.49Å; L302-Y305 PolarHBondContact O-N 3.26Å; L302-L306 PolarHBondContact O-N 2.85Å; L302-A345 HydrophobicContact CD1-CB 3.8Å; L302-L349 HydrophobicContact CD1-CD1 3.91Å
303A98.8Very high97.3Very high0 Ų039.3 Ų39.30%020%0.196CC..Hα-helixtrans-59.3-39.2175.700000112.5G254 V257 H258 A299 L306 M307 C346G254-A303 VanDerWaalsContact O-CB 3.31Å; G254-A303 WeakPolarHBondContact O-CB 3.29Å; V257-A303 HydrophobicContact CB-CB 4.3Å; V257-A303 HydrophobicContact CG1-CB 4.21Å; H258-A303 HydrophobicContact CB-CB 3.96Å; A299-A303 WeakPolarHBondContact O-CB 3.47Å; A299-A303 PolarHBondContact O-N 2.87Å; A303-L306 PolarHBondContact O-N 3.41Å; A303-M307 WeakPolarHBondContact O-CG 3.24Å; A303-M307 PolarHBondContact O-N 3.23Å; A303-C346 PolarHBondContact N-SG 3.06Å
304R98.7Very high97.4Very high110 Ų11041.8 Ų41.842%0.41521%0.211SC..Hα-helixtrans-62.5-45175.1-169180-52.8105.912.7112.2H258 C300 S301 L302 L306 M307 H308H258-R304 PolarHBondContact NE2-NH2 3.44Å; H258-R304 VanDerWaalsContact NE2-NH2 3.1Å; C300-R304 WeakPolarHBondContact O-CB 3.43Å; C300-R304 PolarHBondContact O-N 3.33Å; S301-R304 PolarHBondContact O-N 3.03Å; L302-R304 VanDerWaalsContact C-N 3.29Å; L302-R304 PolarHBondContact O-N 3.47Å; R304-L306 VanDerWaalsContact C-N 3.32Å; R304-L306 PolarHBondContact O-N 3.46Å; R304-M307 HydrophobicContact CB-CE 4.28Å; R304-M307 HydrophobicContact CG-CE 4.44Å; R304-M307 PolarHBondContact O-N 3.29Å; R304-H308 PolarHBondContact O-CD2 3.4Å; R304-H308 PolarHBondContact O-N 2.99Å
305Y98.2Very high97.5Very high86 Ų8641.9 Ų41.934%0.33722%0.218SC..Hα-helixtrans-60.3-44.3175171.2-98000111.4L11 S301 L302 M307 H308 I309 E338 A342L11-Y305 HydrophobicContact CD1-CE1 4.13Å; S301-Y305 PolarHBondContact O-N 3.43Å; L302-Y305 WeakPolarHBondContact O-CB 3.49Å; L302-Y305 PolarHBondContact O-N 3.26Å; Y305-M307 VanDerWaalsContact C-N 3.35Å; Y305-M307 PolarHBondContact O-N 3.18Å; Y305-H308 PolarHBondContact O-N 2.93Å; Y305-I309 HydrophobicContact CE1-CD1 3.98Å; Y305-I309 PolarHBondContact O-N 3.26Å; Y305-I309 VanDerWaalsContact OH-CD1 3.27Å; Y305-I309 WeakPolarHBondContact OH-CD1 3.32Å; Y305-E338 HydrophobicContact CE1-CB 4.35Å; Y305-E338 WeakPolarHBondContact OH-CB 3.38Å; Y305-E338 PolarHBondContact OH-OE2 3.46Å; Y305-A342 HydrophobicContact CD1-CB 4.11Å; Y305-A342 HydrophobicContact CE1-CB 4.32Å
306L98.3Very high97.6Very high0 Ų041.7 Ų41.70%022%0.218CC..Hα-helixtrans-60.8-39.5177.5-175.256.9000113.2L250 L302 A303 R304 H308 I309 A339 A342 A343L250-L306 HydrophobicContact CB-CD1 4.06Å; L250-L306 WeakPolarHBondContact O-CD2 3.28Å; L250-L306 VanDerWaalsContact O-CG 3.32Å; L250-L306 WeakPolarHBondContact O-CG 3.44Å; L302-L306 PolarHBondContact O-N 2.85Å; A303-L306 PolarHBondContact O-N 3.41Å; R304-L306 VanDerWaalsContact C-N 3.32Å; R304-L306 PolarHBondContact O-N 3.46Å; L306-H308 VanDerWaalsContact C-N 3.3Å; L306-H308 PolarHBondContact O-N 2.96Å; L306-I309 HydrophobicContact CD1-CG2 4.3Å; L306-I309 WeakPolarHBondContact O-CG2 3.31Å; L306-I309 PolarHBondContact O-N 2.8Å; L306-A339 HydrophobicContact CD1-CB 4.21Å; L306-A339 WeakPolarHBondContact CD1-O 3.46Å; L306-A342 HydrophobicContact CB-CB 4.33Å; L306-A342 HydrophobicContact CD1-CB 4.23Å; L306-A343 HydrophobicContact CD2-CB 3.82Å
307M98.3Very high97.6Very high51 Ų5143.7 Ų43.725%0.25123%0.23SC..Hα-helixtrans-61.6-36.9176.3-74-174.2-70.200112.7S251 A255 H258 A303 R304 Y305 S310S251-M307 WeakPolarHBondContact OG-CA 3.49Å; S251-M307 PolarHBondContact OG-O 2.89Å; A255-M307 HydrophobicContact CB-SD 3.91Å; H258-M307 HydrophobicContact CB-CE 4.24Å; A303-M307 WeakPolarHBondContact O-CG 3.24Å; A303-M307 PolarHBondContact O-N 3.23Å; R304-M307 HydrophobicContact CB-CE 4.28Å; R304-M307 HydrophobicContact CG-CE 4.44Å; R304-M307 PolarHBondContact O-N 3.29Å; Y305-M307 VanDerWaalsContact C-N 3.35Å; Y305-M307 PolarHBondContact O-N 3.18Å; M307-S310 PolarHBondContact O-OG 2.7Å
308H96.7Very high97.6Very high129 Ų12944.2 Ų44.260%0.59724%0.242SC*.Hα-helixtrans-83.7-18.2-175.7-71-60.9000114.2R304 Y305 L306 S310R304-H308 PolarHBondContact O-CD2 3.4Å; R304-H308 PolarHBondContact O-N 2.99Å; Y305-H308 PolarHBondContact O-N 2.93Å; L306-H308 VanDerWaalsContact C-N 3.3Å; L306-H308 PolarHBondContact O-N 2.96Å; H308-S310 VanDerWaalsContact C-N 3.25Å; H308-S310 PolarHBondContact O-N 2.85Å
309I93.5Very high97.6Very high11 Ų1145.1 Ų45.16%0.05625%0.253CS..Hα-helixtrans-70.9-22-173.2-143.4-177.1000113.2Y305 L306 T311 S312 V335 E338 A339Y305-I309 HydrophobicContact CE1-CD1 3.98Å; Y305-I309 PolarHBondContact O-N 3.26Å; Y305-I309 VanDerWaalsContact OH-CD1 3.27Å; Y305-I309 WeakPolarHBondContact OH-CD1 3.32Å; L306-I309 HydrophobicContact CD1-CG2 4.3Å; L306-I309 WeakPolarHBondContact O-CG2 3.31Å; L306-I309 PolarHBondContact O-N 2.8Å; I309-T311 PolarHBondContact O-N 2.92Å; I309-S312 WeakPolarHBondContact O-CB 3.4Å; I309-S312 PolarHBondContact O-N 3.02Å; I309-V335 HydrophobicContact CD1-CB 4.28Å; I309-V335 HydrophobicContact CD1-CG1 4Å; I309-V335 HydrophobicContact CD1-CG2 4.42Å; I309-V335 WeakPolarHBondContact CD1-O 3.37Å; I309-V335 HydrophobicContact CG1-CB 4.32Å; I309-V335 HydrophobicContact CG1-CG1 3.83Å; I309-V335 HydrophobicContact CG1-CG2 4.12Å; I309-V335 HydrophobicContact CG2-CG1 4.48Å; I309-E338 HydrophobicContact CD1-CB 3.82Å; I309-A339 HydrophobicContact CD1-CB 4.29Å; I309-A339 HydrophobicContact CG2-CB 3.81Å
310S93.1Very high97.6Very high12 Ų1247 Ų478%0.08426%0.262CS..Hα-helixtrans-65.6-35-176.159.30000113.9M307 H308 S312 M313 V314M307-S310 PolarHBondContact O-OG 2.7Å; H308-S310 VanDerWaalsContact C-N 3.25Å; H308-S310 PolarHBondContact O-N 2.85Å; S310-S312 PolarHBondContact O-N 3.2Å; S310-M313 PolarHBondContact O-N 3.2Å; S310-V314 PolarHBondContact O-N 3.05Å
311T96.4Very high97.6Very high85 Ų8556.2 Ų56.252%0.52130%0.296SS..Hα-helixtrans-59.6-33.9-177.3-50.90000112.2I309 M313 V314 S315I309-T311 PolarHBondContact O-N 2.92Å; T311-M313 VanDerWaalsContact C-N 3.28Å; T311-M313 PolarHBondContact O-N 2.98Å; T311-V314 WeakPolarHBondContact O-CB 3.25Å; T311-V314 PolarHBondContact O-N 3.18Å; T311-V314 VanDerWaalsContact O-N 3.11Å; T311-S315 PolarHBondContact O-N 3.03Å; T311-S315 PolarHBondContact O-OG 2.96Å
312S96.4Very high97.5Very high40 Ų4060.7 Ų60.728%0.2831%0.314SS..Hα-helixtrans-56.3-40.5175.7-64.20000112.7I309 S310 T316I309-S312 WeakPolarHBondContact O-CB 3.4Å; I309-S312 PolarHBondContact O-N 3.02Å; S310-S312 PolarHBondContact O-N 3.2Å; S312-T316 WeakPolarHBondContact O-CB 3.29Å; S312-T316 PolarHBondContact O-N 3.01Å; S312-T316 PolarHBondContact O-OG1 2.87Å
313M98Very high97.5Very high0 Ų064.7 Ų64.70%033%0.332CS..Hα-helixtrans-74.4-34.5178.1-62.8-58.388.400111.5D243 I244 T247 S310 T311 T316 V317 I331 R332 V335 L336D243-M313 HydrophobicContact CB-CB 4.38Å; D243-M313 HydrophobicContact CB-CG 4.12Å; D243-M313 HydrophobicContact CB-SD 3.83Å; I244-M313 HydrophobicContact CG1-CB 4.03Å; I244-M313 WeakPolarHBondContact CG1-O 3.41Å; T247-M313 HydrophobicContact CG2-CG 3.63Å; T247-M313 WeakPolarHBondContact OG1-CG 3.37Å; S310-M313 PolarHBondContact O-N 3.2Å; T311-M313 VanDerWaalsContact C-N 3.28Å; T311-M313 PolarHBondContact O-N 2.98Å; M313-T316 PolarHBondContact O-N 3.02Å; M313-V317 WeakPolarHBondContact O-CG2 3.17Å; M313-V317 PolarHBondContact O-N 3.11Å; M313-V317 VanDerWaalsContact O-N 3.08Å; M313-I331 HydrophobicContact CE-CD1 4.39Å; M313-I331 HydrophobicContact CE-CG1 3.99Å; M313-I331 HydrophobicContact CE-CG2 4.13Å; M313-R332 HydrophobicContact CE-CG 4.47Å; M313-R332 HydrophobicContact SD-CG 4.21Å; M313-V335 HydrophobicContact CE-CB 3.72Å; M313-V335 HydrophobicContact CE-CG1 3.72Å; M313-V335 HydrophobicContact CE-CG2 4Å; M313-V335 HydrophobicContact CG-CG1 3.92Å; M313-V335 HydrophobicContact SD-CB 4.46Å; M313-V335 HydrophobicContact SD-CG1 4.06Å; M313-L336 HydrophobicContact SD-CD2 3.99Å; M313-L336 HydrophobicContact SD-CG 4.42Å
314V98.1Very high97.5Very high68 Ų6867.3 Ų67.341%0.41234%0.342SS..Hα-helixtrans-58.7-50.2173.3178.90000110.5I244 S310 T311 V317 S318I244-V314 HydrophobicContact CD1-CB 4.49Å; I244-V314 HydrophobicContact CD1-CG2 4.34Å; I244-V314 HydrophobicContact CG1-CG2 4.27Å; I244-V314 HydrophobicContact CG2-CG2 4.07Å; S310-V314 PolarHBondContact O-N 3.05Å; T311-V314 WeakPolarHBondContact O-CB 3.25Å; T311-V314 PolarHBondContact O-N 3.18Å; T311-V314 VanDerWaalsContact O-N 3.11Å; V314-V317 PolarHBondContact O-N 2.66Å; V314-S318 PolarHBondContact O-N 3.39Å
315S97.9Very high97.5Very high65 Ų6562.9 Ų62.946%0.45533%0.328SS..Hα-helixtrans-62.4-44.4177-610000111.9T311 V317 S318T311-S315 PolarHBondContact O-N 3.03Å; T311-S315 PolarHBondContact O-OG 2.96Å; S315-V317 VanDerWaalsContact C-N 3.32Å; S315-V317 PolarHBondContact O-N 2.84Å; S315-S318 PolarHBondContact O-N 3.23Å; S315-S318 VanDerWaalsContact O-N 3.15Å; S315-S318 PolarHBondContact O-OG 2.92Å
316T98.4Very high97.5Very high8 Ų864.4 Ų64.45%0.04934%0.341CS..Hα-helixtrans-55.5-45.4179.5-60.60000112.1S312 M313 D328 I331S312-T316 WeakPolarHBondContact O-CB 3.29Å; S312-T316 PolarHBondContact O-N 3.01Å; S312-T316 PolarHBondContact O-OG1 2.87Å; M313-T316 PolarHBondContact O-N 3.02Å; T316-D328 HydrophobicContact CG2-CB 3.93Å; T316-I331 HydrophobicContact CG2-CG2 4.13Å; T316-I331 WeakPolarHBondContact OG1-CG2 3.48Å
317V97.8Very high97.5Very high42 Ų4268.4 Ų68.426%0.25536%0.363SS..Hα-helixtrans-68.4-38.6-179.91770000111.9R240 K241 I244 M313 V314 S315 V319 Q320R240-V317 HydrophobicContact CB-CG2 3.65Å; R240-V317 WeakPolarHBondContact O-CG2 3.27Å; K241-V317 HydrophobicContact CB-CG1 4.4Å; I244-V317 HydrophobicContact CD1-CB 3.67Å; I244-V317 HydrophobicContact CD1-CG1 4.12Å; I244-V317 HydrophobicContact CD1-CG2 3.46Å; I244-V317 VanDerWaalsContact CD1-CG2 3.46Å; I244-V317 HydrophobicContact CG1-CB 4.47Å; I244-V317 HydrophobicContact CG1-CG2 3.76Å; M313-V317 WeakPolarHBondContact O-CG2 3.17Å; M313-V317 PolarHBondContact O-N 3.11Å; M313-V317 VanDerWaalsContact O-N 3.08Å; V314-V317 PolarHBondContact O-N 2.66Å; S315-V317 VanDerWaalsContact C-N 3.32Å; S315-V317 PolarHBondContact O-N 2.84Å; V317-V319 PolarHBondContact O-N 3.24Å; V317-V319 VanDerWaalsContact O-N 3.13Å; V317-Q320 PolarHBondContact O-N 3.31Å
318S98.2Very high97.5Very high92 Ų9266 Ų6664%0.64335%0.351SS*.Hα-helixtrans-63.7-19.2-174.9710000114.1V314 S315V314-S318 PolarHBondContact O-N 3.39Å; S315-S318 PolarHBondContact O-N 3.23Å; S315-S318 VanDerWaalsContact O-N 3.15Å; S315-S318 PolarHBondContact O-OG 2.92Å
319V98.4Very high97.5Very high64 Ų6461.1 Ų61.139%0.38833%0.332SS..THydrogen-bonded Turntrans-118.911.3-176.8-58.10000113.5V317 W321 D327V317-V319 PolarHBondContact O-N 3.24Å; V317-V319 VanDerWaalsContact O-N 3.13Å; V319-W321 PolarHBondContact O-N 2.97Å; V319-W321 PolarHBondContact O-NE1 3.39Å; V319-D327 WeakPolarHBondContact CG2-OD2 3.4Å
320Q98.5Very high97.7Very high40 Ų4063.8 Ų63.819%0.18736%0.355CS..  trans-67115.9169.9-84.8-65-65.900110.3R240 V317 S325 D327R240-Q320 HydrophobicContact CG-CG 4.21Å; V317-Q320 PolarHBondContact O-N 3.31Å; Q320-S325 PolarHBondContact NE2-O 3.26Å; Q320-S325 PolarHBondContact NE2-OG 3.45Å; Q320-S325 VanDerWaalsContact NE2-OG 3.1Å; Q320-S325 PolarHBondContact OE1-O 2.89Å; Q320-D327 PolarHBondContact NE2-OD1 3.12Å
321W98.3Very high98Very high194 Ų19465.8 Ų65.874%0.73536%0.364SS*.  trans-87.8124.8-178.9-56-22.4000111.4V319 E323 R324 S325V319-W321 PolarHBondContact O-N 2.97Å; V319-W321 PolarHBondContact O-NE1 3.39Å; W321-E323 PolarHBondContact O-N 3.02Å; W321-R324 CarbonylContact O-C 3.59Å; W321-R324 VanDerWaalsContact O-C 3.27Å; W321-R324 PolarHBondContact O-N 3.23Å; W321-S325 PolarHBondContact N-OG 3.1Å
322L97.9Very high98.1Very high161 Ų16162.3 Ų62.384%0.84334%0.342SS*.THydrogen-bonded Turntrans51.5-127.9174.2-53.7176.5000111.9R324L322-R324 VanDerWaalsContact C-N 3.33Å; L322-R324 PolarHBondContact O-N 3.35Å
323E98.4Very high98.2Very high101 Ų10166.4 Ų66.447%0.47235%0.351SS..THydrogen-bonded Turntrans-71.6-23-177-71.768.2-140.500114.3V197 G235 Q236 W321V197-E323 HydrophobicContact CB-CG 4.2Å; G235-E323 WeakPolarHBondContact CA-O 3.42Å; Q236-E323 PolarHBondContact N-O 3.18Å; W321-E323 PolarHBondContact O-N 3.02Å
324R98.6Very high98.1Very high54 Ų5470.9 Ų70.920%0.20437%0.374CS..  trans172.7144.1170.3-175.2-160.4-175.4171.74.3111.2C107 Q236 T237 W321 L322 L326 D328C107-R324 PolarHBondContact SG-NH1 3.38Å; Q236-R324 HydrophobicContact CB-CB 3.77Å; T237-R324 HydrophobicContact CG2-CB 4.46Å; T237-R324 VanDerWaalsContact CG2-CD 3.49Å; T237-R324 HydrophobicContact CG2-CG 3.86Å; W321-R324 CarbonylContact O-C 3.59Å; W321-R324 VanDerWaalsContact O-C 3.27Å; W321-R324 PolarHBondContact O-N 3.23Å; L322-R324 VanDerWaalsContact C-N 3.33Å; L322-R324 PolarHBondContact O-N 3.35Å; R324-L326 VanDerWaalsContact NH2-CD1 3.3Å; R324-D328 IonicContact CZ-OD1 3.93Å; R324-D328 IonicContact NE-OD1 3.82Å; R324-D328 PolarHBondContact NE-OD1 3.16Å; R324-D328 IonicContact NE-OD2 3.54Å; R324-D328 IonicContact NH2-OD1 2.75Å; R324-D328 PolarHBondContact NH2-OD1 3.25Å; R324-D328 VanDerWaalsContact NH2-OD1 3.12Å; R324-D328 IonicContact NH2-OD2 3.91Å
325S98.2Very high98.1Very high17 Ų1767.9 Ų67.912%0.11936%0.356CS..  trans-115.5147.6156.152.40000111.6Q320 W321 D327Q320-S325 PolarHBondContact NE2-O 3.26Å; Q320-S325 PolarHBondContact NE2-OG 3.45Å; Q320-S325 VanDerWaalsContact NE2-OG 3.1Å; Q320-S325 PolarHBondContact OE1-O 2.89Å; W321-S325 PolarHBondContact N-OG 3.1Å; S325-D327 VanDerWaalsContact C-N 3.29Å; S325-D327 VanDerWaalsContact C-OD1 3.27Å; S325-D327 WeakPolarHBondContact CB-OD1 3.5Å; S325-D327 PolarHBondContact O-N 2.93Å; S325-D327 PolarHBondContact OG-OD1 3.34Å
326L97.8Very high98.2Very high118 Ų11865.1 Ų65.162%0.61834%0.336SS*.THydrogen-bonded Turntrans-81.3-2.8-169.1-164.161.9000114.5R324 D328 S329R324-L326 VanDerWaalsContact NH2-CD1 3.3Å; L326-D328 PolarHBondContact O-N 3.4Å; L326-D328 VanDerWaalsContact O-N 3.13Å; L326-S329 VanDerWaalsContact O-CB 3.32Å; L326-S329 WeakPolarHBondContact O-CB 3.41Å; L326-S329 PolarHBondContact O-N 3.26Å
327D98.1Very high98.2Very high84 Ų8466.1 Ų66.145%0.44934%0.342SS..THydrogen-bonded Turntrans-62-14.4174.961.8-53.9000112.9V319 Q320 S325 S329V319-D327 WeakPolarHBondContact CG2-OD2 3.4Å; Q320-D327 PolarHBondContact NE2-OD1 3.12Å; S325-D327 VanDerWaalsContact C-N 3.29Å; S325-D327 VanDerWaalsContact C-OD1 3.27Å; S325-D327 WeakPolarHBondContact CB-OD1 3.5Å; S325-D327 PolarHBondContact O-N 2.93Å; S325-D327 PolarHBondContact OG-OD1 3.34Å; D327-S329 VanDerWaalsContact C-N 3.31Å; D327-S329 PolarHBondContact O-N 2.6Å
328D98.5Very high98.2Very high0 Ų065.8 Ų65.80%034%0.338CS..Hα-helixtrans-66.5-28.5169.775.2-35.9000114.1R240 T316 R324 L326 I331 R332R240-D328 IonicContact CZ-OD2 3.05Å; R240-D328 IonicContact NE-OD2 3.39Å; R240-D328 PolarHBondContact NE-OD2 3.32Å; R240-D328 IonicContact NH2-OD2 3.61Å; R240-D328 PolarHBondContact NH2-OD2 2.97Å; T316-D328 HydrophobicContact CG2-CB 3.93Å; R324-D328 IonicContact CZ-OD1 3.93Å; R324-D328 IonicContact NE-OD1 3.82Å; R324-D328 PolarHBondContact NE-OD1 3.16Å; R324-D328 IonicContact NE-OD2 3.54Å; R324-D328 IonicContact NH2-OD1 2.75Å; R324-D328 PolarHBondContact NH2-OD1 3.25Å; R324-D328 VanDerWaalsContact NH2-OD1 3.12Å; R324-D328 IonicContact NH2-OD2 3.91Å; L326-D328 PolarHBondContact O-N 3.4Å; L326-D328 VanDerWaalsContact O-N 3.13Å; D328-I331 WeakPolarHBondContact O-CG2 3.46Å; D328-R332 VanDerWaalsContact O-CB 3.26Å; D328-R332 WeakPolarHBondContact O-CB 3.33Å; D328-R332 VanDerWaalsContact O-CD 3.3Å; D328-R332 WeakPolarHBondContact O-CD 3.45Å; D328-R332 WeakPolarHBondContact O-CG 3.36Å; D328-R332 PolarHBondContact O-N 3.3Å; D328-R332 VanDerWaalsContact O-N 3.14Å
329S98Very high98.2Very high28 Ų2861.4 Ų61.420%0.19631%0.308CS..Hα-helixtrans-66.7-52.4-163.5-178.70000112.8L326 D327 R333L326-S329 VanDerWaalsContact O-CB 3.32Å; L326-S329 WeakPolarHBondContact O-CB 3.41Å; L326-S329 PolarHBondContact O-N 3.26Å; D327-S329 VanDerWaalsContact C-N 3.31Å; D327-S329 PolarHBondContact O-N 2.6Å; S329-R333 VanDerWaalsContact O-CG 3.27Å; S329-R333 WeakPolarHBondContact O-CG 3.42Å; S329-R333 PolarHBondContact O-N 3.38Å
330A97.9Very high98.3Very high67 Ų6758.4 Ų58.455%0.55429%0.289SS*.Hα-helixtrans-67.7-45.4-174.700000111.6R332 R333 I334A330-R332 PolarHBondContact O-N 2.98Å; A330-R333 WeakPolarHBondContact O-CB 3.26Å; A330-R333 PolarHBondContact O-N 3.18Å; A330-I334 PolarHBondContact O-N 3.18Å
331I98.2Very high98.3Very high53 Ų5356.8 Ų56.827%0.27228%0.282SS..Hα-helixtrans-67.3-37.2-177-163.5169.1000112M313 T316 D328 R333 I334 V335M313-I331 HydrophobicContact CE-CD1 4.39Å; M313-I331 HydrophobicContact CE-CG1 3.99Å; M313-I331 HydrophobicContact CE-CG2 4.13Å; T316-I331 HydrophobicContact CG2-CG2 4.13Å; T316-I331 WeakPolarHBondContact OG1-CG2 3.48Å; D328-I331 WeakPolarHBondContact O-CG2 3.46Å; I331-R333 PolarHBondContact O-N 3.13Å; I331-I334 PolarHBondContact O-N 3.12Å; I331-V335 HydrophobicContact CG1-CG2 3.98Å; I331-V335 WeakPolarHBondContact O-CB 3.45Å; I331-V335 WeakPolarHBondContact O-CG2 3.36Å; I331-V335 PolarHBondContact O-N 3.45Å
332R98.5Very high98.3Very high12 Ų1247.6 Ų47.65%0.04525%0.247CC..Hα-helixtrans-66.8-34.3175.3-71.8171.667.3-96.9-5.9112.8D114 Y238 D243 M313 D328 A330 I334 L336 P337D114-R332 IonicContact OD2-CZ 3.52Å; D114-R332 IonicContact OD2-NH1 2.76Å; D114-R332 PolarHBondContact OD2-NH1 2.93Å; D114-R332 VanDerWaalsContact OD2-NH1 3.14Å; D114-R332 IonicContact OD2-NH2 2.72Å; D114-R332 PolarHBondContact OD2-NH2 2.95Å; Y238-R332 PolarHBondContact OH-NH2 2.92Å; D243-R332 WeakPolarHBondContact OD2-CD 3.48Å; D243-R332 IonicContact OD2-CZ 3.14Å; D243-R332 IonicContact OD2-NE 2.79Å; D243-R332 PolarHBondContact OD2-NE 3.45Å; M313-R332 HydrophobicContact CE-CG 4.47Å; M313-R332 HydrophobicContact SD-CG 4.21Å; D328-R332 VanDerWaalsContact O-CB 3.26Å; D328-R332 WeakPolarHBondContact O-CB 3.33Å; D328-R332 VanDerWaalsContact O-CD 3.3Å; D328-R332 WeakPolarHBondContact O-CD 3.45Å; D328-R332 WeakPolarHBondContact O-CG 3.36Å; D328-R332 PolarHBondContact O-N 3.3Å; D328-R332 VanDerWaalsContact O-N 3.14Å; A330-R332 PolarHBondContact O-N 2.98Å; R332-I334 PolarHBondContact O-N 3.44Å; R332-L336 HydrophobicContact CB-CD1 3.99Å; R332-L336 HydrophobicContact CB-CG 4.38Å; R332-L336 HydrophobicContact CG-CD1 4.21Å; R332-L336 WeakPolarHBondContact O-CB 3.45Å; R332-L336 PolarHBondContact O-N 3.21Å; R332-P337 WeakPolarHBondContact O-CD 3.46Å
333R97.8Very high98.3Very high127 Ų12739.9 Ų39.948%0.47921%0.207SC..Hα-helixtrans-64.6-23.9175.5-73.3171.3-172.6-1054.3113D81 S329 A330 I331 P337D81-R333 IonicContact OD2-CZ 3.25Å; D81-R333 IonicContact OD2-NH2 2.9Å; D81-R333 PolarHBondContact OD2-NH2 2.94Å; S329-R333 VanDerWaalsContact O-CG 3.27Å; S329-R333 WeakPolarHBondContact O-CG 3.42Å; S329-R333 PolarHBondContact O-N 3.38Å; A330-R333 WeakPolarHBondContact O-CB 3.26Å; A330-R333 PolarHBondContact O-N 3.18Å; I331-R333 PolarHBondContact O-N 3.13Å; R333-P337 WeakPolarHBondContact O-CG 3.27Å
334I97.6Very high98.3Very high94 Ų9435.1 Ų35.148%0.48218%0.184SC..Hα-helixtrans-92.5-60.4177-61.4168.3000109.4A330 I331 R332 L336 P337 E338A330-I334 PolarHBondContact O-N 3.18Å; I331-I334 PolarHBondContact O-N 3.12Å; R332-I334 PolarHBondContact O-N 3.44Å; I334-L336 PolarHBondContact O-N 3.47Å; I334-P337 WeakPolarHBondContact O-CD 3.14Å; I334-E338 WeakPolarHBondContact CG2-OE2 3.41Å; I334-E338 VanDerWaalsContact O-CB 3.3Å; I334-E338 WeakPolarHBondContact O-CB 3.43Å; I334-E338 WeakPolarHBondContact O-CG 3.24Å; I334-E338 PolarHBondContact O-N 3.5Å; I334-E338 VanDerWaalsContact O-N 3.14Å
335V98.2Very high98.3Very high5 Ų532.6 Ų32.63%0.0318%0.175CC..Hα-helixtrans-68.7-43.1-165.9168.60000112.8T247 I309 M313 I331 A339T247-V335 HydrophobicContact CG2-CG1 4.16Å; I309-V335 HydrophobicContact CD1-CB 4.28Å; I309-V335 HydrophobicContact CD1-CG1 4Å; I309-V335 HydrophobicContact CD1-CG2 4.42Å; I309-V335 WeakPolarHBondContact CD1-O 3.37Å; I309-V335 HydrophobicContact CG1-CB 4.32Å; I309-V335 HydrophobicContact CG1-CG1 3.83Å; I309-V335 HydrophobicContact CG1-CG2 4.12Å; I309-V335 HydrophobicContact CG2-CG1 4.48Å; M313-V335 HydrophobicContact CE-CB 3.72Å; M313-V335 HydrophobicContact CE-CG1 3.72Å; M313-V335 HydrophobicContact CE-CG2 4Å; M313-V335 HydrophobicContact CG-CG1 3.92Å; M313-V335 HydrophobicContact SD-CB 4.46Å; M313-V335 HydrophobicContact SD-CG1 4.06Å; I331-V335 HydrophobicContact CG1-CG2 3.98Å; I331-V335 WeakPolarHBondContact O-CB 3.45Å; I331-V335 WeakPolarHBondContact O-CG2 3.36Å; I331-V335 PolarHBondContact O-N 3.45Å; V335-A339 WeakPolarHBondContact O-CB 3.04Å; V335-A339 PolarHBondContact O-N 3.39Å
336L98.6Very high98.3Very high7 Ų731.8 Ų31.84%0.03717%0.169CC..Hα-helixtrans-66.6-52.2-175.1-59.9176.8000111.4L118 D243 T247 M313 R332 I334 E338 A339 F340L118-L336 HydrophobicContact CD2-CB 4.28Å; L118-L336 HydrophobicContact CD2-CD1 4.38Å; D243-L336 HydrophobicContact CB-CD2 4.1Å; T247-L336 HydrophobicContact CG2-CD2 4.02Å; M313-L336 HydrophobicContact SD-CD2 3.99Å; M313-L336 HydrophobicContact SD-CG 4.42Å; R332-L336 HydrophobicContact CB-CD1 3.99Å; R332-L336 HydrophobicContact CB-CG 4.38Å; R332-L336 HydrophobicContact CG-CD1 4.21Å; R332-L336 WeakPolarHBondContact O-CB 3.45Å; R332-L336 PolarHBondContact O-N 3.21Å; I334-L336 PolarHBondContact O-N 3.47Å; L336-E338 PolarHBondContact O-N 3.05Å; L336-A339 PolarHBondContact O-N 2.96Å; L336-F340 WeakPolarHBondContact O-CD2 3.28Å; L336-F340 PolarHBondContact O-N 3.38Å
337P98.5Very high98.4Very high28 Ų2826.1 Ų26.118%0.18214%0.14CC..Hα-helixtrans-59.2-46.5174.9-24.936.2000112.6F24 R332 R333 I334 A339 F340 L341F24-P337 HydrophobicContact CB-CB 3.99Å; F24-P337 HydrophobicContact CB-CG 4.43Å; F24-P337 HydrophobicContact CD1-CB 3.95Å; F24-P337 HydrophobicContact CD1-CG 3.85Å; F24-P337 HydrophobicContact CE1-CG 4.48Å; F24-P337 HydrophobicContact CG-CB 3.91Å; F24-P337 HydrophobicContact CG-CG 4.29Å; R332-P337 WeakPolarHBondContact O-CD 3.46Å; R333-P337 WeakPolarHBondContact O-CG 3.27Å; I334-P337 WeakPolarHBondContact O-CD 3.14Å; P337-A339 VanDerWaalsContact C-N 3.32Å; P337-A339 PolarHBondContact O-N 3.34Å; P337-F340 PolarHBondContact O-N 3.13Å; P337-L341 HydrophobicContact CB-CD1 4.43Å; P337-L341 WeakPolarHBondContact O-CB 3.24Å; P337-L341 WeakPolarHBondContact O-CD1 3.4Å; P337-L341 WeakPolarHBondContact O-CG 3.45Å; P337-L341 PolarHBondContact O-N 2.92Å
338E98.5Very high98.4Very high36 Ų3623.1 Ų23.117%0.16812%0.124CC..Hα-helixtrans-64.2-35.9-176.5-70.2-174.515500112.6N9 L11 Y305 I309 I334 L336 L341 A342N9-E338 PolarHBondContact ND2-OE1 3.48Å; L11-E338 HydrophobicContact CD1-CB 3.85Å; L11-E338 HydrophobicContact CD1-CG 3.89Å; Y305-E338 HydrophobicContact CE1-CB 4.35Å; Y305-E338 WeakPolarHBondContact OH-CB 3.38Å; Y305-E338 PolarHBondContact OH-OE2 3.46Å; I309-E338 HydrophobicContact CD1-CB 3.82Å; I334-E338 WeakPolarHBondContact CG2-OE2 3.41Å; I334-E338 VanDerWaalsContact O-CB 3.3Å; I334-E338 WeakPolarHBondContact O-CB 3.43Å; I334-E338 WeakPolarHBondContact O-CG 3.24Å; I334-E338 PolarHBondContact O-N 3.5Å; I334-E338 VanDerWaalsContact O-N 3.14Å; L336-E338 PolarHBondContact O-N 3.05Å; E338-L341 PolarHBondContact O-N 2.75Å; E338-A342 WeakPolarHBondContact O-CB 3.42Å; E338-A342 PolarHBondContact O-N 3.05Å
339A98.6Very high98.4Very high0 Ų023.4 Ų23.40%013%0.126CC..Hα-helixtrans-62.2-47.3175.400000111.8T247 L250 L306 I309 V335 L336 P337 A343T247-A339 HydrophobicContact CG2-CB 4.37Å; L250-A339 HydrophobicContact CD1-CB 3.78Å; L306-A339 HydrophobicContact CD1-CB 4.21Å; L306-A339 WeakPolarHBondContact CD1-O 3.46Å; I309-A339 HydrophobicContact CD1-CB 4.29Å; I309-A339 HydrophobicContact CG2-CB 3.81Å; V335-A339 WeakPolarHBondContact O-CB 3.04Å; V335-A339 PolarHBondContact O-N 3.39Å; L336-A339 PolarHBondContact O-N 2.96Å; P337-A339 VanDerWaalsContact C-N 3.32Å; P337-A339 PolarHBondContact O-N 3.34Å; A339-A343 WeakPolarHBondContact O-CB 3.4Å; A339-A343 PolarHBondContact O-N 2.84Å
340F98.8Very high98.4Very high1 Ų122.1 Ų22.10%0.00412%0.117CC..Hα-helixtrans-67.2-41.7177.4-83.6-91.9000112.2M20 F24 L118 G121 L122 L125 I246 L250 L336 P337 A343 D344M20-F340 HydrophobicContact CE-CB 4.33Å; M20-F340 HydrophobicContact CE-CD1 4.19Å; M20-F340 HydrophobicContact CG-CB 4.47Å; M20-F340 HydrophobicContact SD-CB 3.88Å; M20-F340 HydrophobicContact SD-CD1 4.33Å; F24-F340 HydrophobicContact CD2-CB 4.33Å; F24-F340 HydrophobicContact CE2-CB 3.42Å; F24-F340 VanDerWaalsContact CE2-CB 3.42Å; F24-F340 HydrophobicContact CE2-CD1 4.33Å; F24-F340 HydrophobicContact CE2-CD2 4.11Å; F24-F340 AromaticContact CE2-CG 3.71Å; F24-F340 HydrophobicContact CE2-CG 3.71Å; F24-F340 HydrophobicContact CZ-CB 3.89Å; F24-F340 HydrophobicContact CZ-CD1 4.4Å; F24-F340 AromaticContact CZ-CD2 3.65Å; F24-F340 HydrophobicContact CZ-CD2 3.65Å; F24-F340 HydrophobicContact CZ-CE2 4.27Å; F24-F340 AromaticContact CZ-CG 3.72Å; F24-F340 HydrophobicContact CZ-CG 3.72Å; L118-F340 HydrophobicContact CD2-CD2 4.21Å; L118-F340 HydrophobicContact CD2-CE2 3.41Å; L118-F340 VanDerWaalsContact CD2-CE2 3.41Å; L118-F340 HydrophobicContact CD2-CZ 4.06Å; G121-F340 VanDerWaalsContact C-CE1 3.43Å; L122-F340 HydrophobicContact CD2-CE1 3.91Å; L122-F340 HydrophobicContact CD2-CZ 4.09Å; L122-F340 HydrophobicContact CG-CE1 4.09Å; L122-F340 HydrophobicContact CG-CZ 4.2Å; L125-F340 HydrophobicContact CD1-CD1 3.6Å; L125-F340 HydrophobicContact CD1-CE1 3.92Å; L125-F340 HydrophobicContact CG-CD1 4.34Å; I246-F340 HydrophobicContact CG2-CE2 3.6Å; I246-F340 HydrophobicContact CG2-CZ 3.7Å; L250-F340 HydrophobicContact CD1-CD1 4.41Å; L250-F340 HydrophobicContact CD1-CD2 3.79Å; L250-F340 HydrophobicContact CD1-CE1 4.43Å; L250-F340 HydrophobicContact CD1-CE2 3.83Å; L250-F340 HydrophobicContact CD1-CG 4.1Å; L250-F340 HydrophobicContact CD1-CZ 4.17Å; L336-F340 WeakPolarHBondContact O-CD2 3.28Å; L336-F340 PolarHBondContact O-N 3.38Å; P337-F340 PolarHBondContact O-N 3.13Å; F340-A343 PolarHBondContact O-N 2.83Å; F340-D344 WeakPolarHBondContact O-CB 3.17Å; F340-D344 PolarHBondContact O-N 3.47Å
341L98.7Very high98.4Very high6 Ų619.1 Ų19.13%0.0319%0.091CC..Hα-helixtrans-63.6-41177.7-67.9166.3000111.9L11 T12 A16 M20 V21 P337 E338 D344 A345L11-L341 HydrophobicContact CB-CB 4.07Å; L11-L341 HydrophobicContact CB-CD1 4.32Å; L11-L341 HydrophobicContact CD1-CB 4.41Å; T12-L341 HydrophobicContact CG2-CD1 3.92Å; A16-L341 HydrophobicContact CB-CB 3.92Å; A16-L341 HydrophobicContact CB-CD2 3.39Å; A16-L341 HydrophobicContact CB-CG 4.26Å; M20-L341 HydrophobicContact CB-CD2 4.23Å; M20-L341 HydrophobicContact CG-CD2 3.79Å; M20-L341 HydrophobicContact CG-CG 4.4Å; V21-L341 HydrophobicContact CB-CD2 4.41Å; V21-L341 HydrophobicContact CG2-CD2 3.68Å; P337-L341 HydrophobicContact CB-CD1 4.43Å; P337-L341 WeakPolarHBondContact O-CB 3.24Å; P337-L341 WeakPolarHBondContact O-CD1 3.4Å; P337-L341 WeakPolarHBondContact O-CG 3.45Å; P337-L341 PolarHBondContact O-N 2.92Å; E338-L341 PolarHBondContact O-N 2.75Å; L341-D344 WeakPolarHBondContact O-CB 3.48Å; L341-D344 PolarHBondContact O-N 3.07Å; L341-A345 WeakPolarHBondContact O-CB 3.21Å; L341-A345 PolarHBondContact O-N 3.34Å
342A98.5Very high98.4Very high0 Ų017.7 Ų17.70%09%0.085CC..Hα-helixtrans-68.4-43.1176.600000111.6L11 Y305 L306 E338 D344 A345 C346L11-A342 HydrophobicContact CD2-CB 4.07Å; Y305-A342 HydrophobicContact CD1-CB 4.11Å; Y305-A342 HydrophobicContact CE1-CB 4.32Å; L306-A342 HydrophobicContact CB-CB 4.33Å; L306-A342 HydrophobicContact CD1-CB 4.23Å; E338-A342 WeakPolarHBondContact O-CB 3.42Å; E338-A342 PolarHBondContact O-N 3.05Å; A342-D344 VanDerWaalsContact C-N 3.32Å; A342-D344 PolarHBondContact O-N 2.8Å; A342-A345 PolarHBondContact O-N 3.36Å; A342-C346 WeakPolarHBondContact O-CB 3.31Å; A342-C346 PolarHBondContact O-N 3.27Å; A342-C346 PolarHBondContact O-SG 2.87Å
343A98.9Very high98.3Very high0 Ų017.2 Ų17.20%08%0.083CC..Hα-helixtrans-60.6-43.1174.300000111.6L125 L250 L306 A339 F340 A345 C346 L347L125-A343 HydrophobicContact CD1-CB 4.03Å; L125-A343 HydrophobicContact CD2-CB 4.14Å; L250-A343 HydrophobicContact CD2-CB 4.04Å; L306-A343 HydrophobicContact CD2-CB 3.82Å; A339-A343 WeakPolarHBondContact O-CB 3.4Å; A339-A343 PolarHBondContact O-N 2.84Å; F340-A343 PolarHBondContact O-N 2.83Å; A343-A345 PolarHBondContact O-N 3.26Å; A343-C346 PolarHBondContact O-N 3.23Å; A343-L347 WeakPolarHBondContact O-CG 3.16Å; A343-L347 PolarHBondContact O-N 3.28Å
344D98.7Very high98.4Very high0 Ų011.2 Ų11.20%06%0.061CC..Hα-helixtrans-58.3-47.9176.8-168.671.5000112.2S17 M20 L125 K128 F340 L341 A342 L347 T348S17-D344 WeakPolarHBondContact CB-OD2 3.5Å; S17-D344 PolarHBondContact N-OD2 3.28Å; S17-D344 PolarHBondContact OG-OD1 3.35Å; S17-D344 PolarHBondContact OG-OD2 3.33Å; M20-D344 HydrophobicContact CB-CB 4.11Å; M20-D344 HydrophobicContact CE-CB 4.05Å; M20-D344 HydrophobicContact CG-CB 3.95Å; L125-D344 HydrophobicContact CD2-CB 3.97Å; K128-D344 WeakPolarHBondContact CD-OD1 3.48Å; K128-D344 VanDerWaalsContact CE-OD1 3.27Å; K128-D344 WeakPolarHBondContact CE-OD1 3.32Å; K128-D344 IonicContact NZ-OD1 3.97Å; K128-D344 PolarHBondContact NZ-OD1 3.48Å; K128-D344 IonicContact NZ-OD2 2.85Å; K128-D344 PolarHBondContact NZ-OD2 3.4Å; K128-D344 VanDerWaalsContact NZ-OD2 3.09Å; F340-D344 WeakPolarHBondContact O-CB 3.17Å; F340-D344 PolarHBondContact O-N 3.47Å; L341-D344 WeakPolarHBondContact O-CB 3.48Å; L341-D344 PolarHBondContact O-N 3.07Å; A342-D344 VanDerWaalsContact C-N 3.32Å; A342-D344 PolarHBondContact O-N 2.8Å; D344-L347 PolarHBondContact O-N 2.99Å; D344-T348 WeakPolarHBondContact O-CB 3.18Å; D344-T348 PolarHBondContact O-N 2.75Å; D344-T348 PolarHBondContact O-OG1 3.45Å
345A98.2Very high98.3Very high1 Ų19 Ų91%0.0085%0.048CC..Hα-helixtrans-64.6-43.4177.100000112.6L302 L341 A342 A343 L347 T348 L349L302-A345 HydrophobicContact CD1-CB 3.8Å; L341-A345 WeakPolarHBondContact O-CB 3.21Å; L341-A345 PolarHBondContact O-N 3.34Å; A342-A345 PolarHBondContact O-N 3.36Å; A343-A345 PolarHBondContact O-N 3.26Å; A345-L347 PolarHBondContact O-N 2.87Å; A345-T348 PolarHBondContact O-N 2.97Å; A345-L349 WeakPolarHBondContact O-CB 3.31Å; A345-L349 WeakPolarHBondContact O-CG 3.21Å; A345-L349 PolarHBondContact O-N 3.24Å
346C98.6Very high98.2Very high0 Ų09.9 Ų9.90%06%0.058CC..Hα-helixtrans-57.4-47.9175.8-78.20000111.7V257 A303 A342 A343 L349 L350V257-C346 HydrophobicContact CG1-CB 4.15Å; V257-C346 HydrophobicContact CG2-CB 4.17Å; A303-C346 PolarHBondContact N-SG 3.06Å; A342-C346 WeakPolarHBondContact O-CB 3.31Å; A342-C346 PolarHBondContact O-N 3.27Å; A342-C346 PolarHBondContact O-SG 2.87Å; A343-C346 PolarHBondContact O-N 3.23Å; C346-L349 PolarHBondContact O-N 3.08Å; C346-L350 WeakPolarHBondContact O-CB 3.41Å; C346-L350 PolarHBondContact O-N 3.11Å
347L98.8Very high98.1Very high0 Ų09.8 Ų9.80%06%0.058CC..Hα-helixtrans-70-37.6-179.9-66172.3000112.3L125 K128 V129 C132 I253 A343 D344 A345 L349 L350 Q351L125-L347 HydrophobicContact CB-CD1 4.37Å; L125-L347 HydrophobicContact CD2-CD1 3.95Å; K128-L347 HydrophobicContact CB-CB 3.95Å; K128-L347 HydrophobicContact CB-CD1 3.98Å; V129-L347 HydrophobicContact CG2-CD1 3.55Å; V129-L347 HydrophobicContact CG2-CD2 3.87Å; V129-L347 HydrophobicContact CG2-CG 4.38Å; C132-L347 PolarHBondContact SG-O 3.43Å; I253-L347 HydrophobicContact CG2-CD2 4.07Å; I253-L347 HydrophobicContact CG2-CG 4.3Å; A343-L347 WeakPolarHBondContact O-CG 3.16Å; A343-L347 PolarHBondContact O-N 3.28Å; D344-L347 PolarHBondContact O-N 2.99Å; A345-L347 PolarHBondContact O-N 2.87Å; L347-L349 PolarHBondContact O-N 2.96Å; L347-L350 PolarHBondContact O-N 3.02Å; L347-Q351 VanDerWaalsContact O-CB 3.29Å; L347-Q351 WeakPolarHBondContact O-CB 3.37Å; L347-Q351 PolarHBondContact O-N 2.78Å
348T98Very high98Very high20 Ų2011.1 Ų11.112%0.1236%0.063CC..Hα-helixtrans-61.3-43.6173.7-77.60000111.4K128 D344 A345 N352 S476K128-T348 PolarHBondContact NZ-OG1 3.22Å; K128-T348 VanDerWaalsContact NZ-OG1 3.14Å; D344-T348 WeakPolarHBondContact O-CB 3.18Å; D344-T348 PolarHBondContact O-N 2.75Å; D344-T348 PolarHBondContact O-OG1 3.45Å; A345-T348 PolarHBondContact O-N 2.97Å; T348-N352 PolarHBondContact O-N 3.33Å; T348-S476 WeakPolarHBondContact CG2-OG 3.31Å; T348-S476 PolarHBondContact O-OG 3.13Å
349L98Very high98Very high7 Ų710.4 Ų10.44%0.0376%0.061CC..Hα-helixtrans-64-48.2174.8-72.2167.2000111.5R295 R298 A299 L302 A345 C346 L347 Q351 N352 I353 I478R295-L349 HydrophobicContact CB-CD2 4.45Å; R298-L349 HydrophobicContact CB-CD1 4.22Å; R298-L349 HydrophobicContact CG-CD1 3.9Å; A299-L349 HydrophobicContact CB-CB 4.24Å; A299-L349 HydrophobicContact CB-CD1 4.19Å; L302-L349 HydrophobicContact CD1-CD1 3.91Å; A345-L349 WeakPolarHBondContact O-CB 3.31Å; A345-L349 WeakPolarHBondContact O-CG 3.21Å; A345-L349 PolarHBondContact O-N 3.24Å; C346-L349 PolarHBondContact O-N 3.08Å; L347-L349 PolarHBondContact O-N 2.96Å; L349-Q351 PolarHBondContact O-N 2.89Å; L349-N352 PolarHBondContact O-N 2.91Å; L349-I353 WeakPolarHBondContact O-CD1 3.25Å; L349-I353 VanDerWaalsContact O-CG1 3.28Å; L349-I353 WeakPolarHBondContact O-CG1 3.48Å; L349-I353 PolarHBondContact O-N 3.4Å; L349-I478 HydrophobicContact CD2-CD1 3.8Å; L349-I478 HydrophobicContact CD2-CG1 4.32Å
350L98.6Very high98Very high1 Ų113.8 Ų13.81%0.0057%0.074CC..Hα-helixtrans-61.9-43.3-179.2-179.660.2000111.7C132 L173 V257 I260 C346 L347 N352 I353 A354C132-L350 HydrophobicContact CB-CD2 4.22Å; C132-L350 HydrophobicContact CB-CG 4.39Å; L173-L350 HydrophobicContact CD1-CD2 4.23Å; L173-L350 HydrophobicContact CD2-CD2 4.07Å; V257-L350 HydrophobicContact CG2-CD2 4.05Å; I260-L350 HydrophobicContact CD1-CD2 4.21Å; I260-L350 HydrophobicContact CG2-CD1 3.89Å; C346-L350 WeakPolarHBondContact O-CB 3.41Å; C346-L350 PolarHBondContact O-N 3.11Å; L347-L350 PolarHBondContact O-N 3.02Å; L350-N352 VanDerWaalsContact C-N 3.34Å; L350-N352 PolarHBondContact O-N 3.18Å; L350-I353 PolarHBondContact O-N 3Å; L350-A354 WeakPolarHBondContact O-CB 3.44Å; L350-A354 PolarHBondContact O-N 3.34Å
351Q98.4Very high98Very high3 Ų316.1 Ų16.11%0.0149%0.09CC..Hα-helixtrans-58.6-46.9176.5-173.8-174.2-32.100111R131 L347 L349 I353 A354 E355 L474R131-Q351 HydrophobicContact CB-CG 4.28Å; L347-Q351 VanDerWaalsContact O-CB 3.29Å; L347-Q351 WeakPolarHBondContact O-CB 3.37Å; L347-Q351 PolarHBondContact O-N 2.78Å; L349-Q351 PolarHBondContact O-N 2.89Å; Q351-I353 PolarHBondContact O-N 3.07Å; Q351-A354 PolarHBondContact O-N 2.99Å; Q351-E355 PolarHBondContact NE2-OE1 3.15Å; Q351-E355 WeakPolarHBondContact O-CB 3.36Å; Q351-E355 VanDerWaalsContact O-CG 3.31Å; Q351-E355 WeakPolarHBondContact O-CG 3.43Å; Q351-E355 PolarHBondContact O-N 3.24Å; Q351-L474 PolarHBondContact NE2-O 2.95Å
352N97.6Very high97.9Very high24 Ų2422.4 Ų22.413%0.12812%0.12CC..Hα-helixtrans-63.3-41179.6-179.2-90.8000112.2P276 R295 T348 L349 L350 E355 G356 S476 I478P276-N352 WeakPolarHBondContact CG-O 3.26Å; R295-N352 WeakPolarHBondContact CD-OD1 3.38Å; R295-N352 PolarHBondContact NE-OD1 3.39Å; R295-N352 PolarHBondContact NH1-OD1 3.5Å; T348-N352 PolarHBondContact O-N 3.33Å; L349-N352 PolarHBondContact O-N 2.91Å; L350-N352 VanDerWaalsContact C-N 3.34Å; L350-N352 PolarHBondContact O-N 3.18Å; N352-E355 PolarHBondContact O-N 3.35Å; N352-G356 PolarHBondContact O-N 3.21Å; N352-S476 PolarHBondContact ND2-O 2.99Å; N352-S476 VanDerWaalsContact ND2-O 3.15Å; N352-I478 HydrophobicContact CB-CD1 3.59Å; N352-I478 HydrophobicContact CB-CG1 3.89Å; N352-I478 VanDerWaalsContact OD1-CD1 3.24Å; N352-I478 WeakPolarHBondContact OD1-CD1 3.35Å
353I97.9Very high97.9Very high1 Ų124.6 Ų24.61%0.00513%0.133CC..Hα-helixtrans-62.2-46.7175.3-66.8160.4000110.2I264 R295 L349 L350 Q351 E355 G356 L357I264-I353 HydrophobicContact CD1-CG2 3.73Å; R295-I353 HydrophobicContact CB-CD1 3.81Å; R295-I353 HydrophobicContact CB-CG1 3.83Å; L349-I353 WeakPolarHBondContact O-CD1 3.25Å; L349-I353 VanDerWaalsContact O-CG1 3.28Å; L349-I353 WeakPolarHBondContact O-CG1 3.48Å; L349-I353 PolarHBondContact O-N 3.4Å; L350-I353 PolarHBondContact O-N 3Å; Q351-I353 PolarHBondContact O-N 3.07Å; I353-E355 PolarHBondContact O-N 3.07Å; I353-G356 PolarHBondContact O-N 3.16Å; I353-L357 HydrophobicContact CG2-CD1 4.14Å; I353-L357 WeakPolarHBondContact O-CA 3.47Å; I353-L357 WeakPolarHBondContact O-CB 3.48Å; I353-L357 PolarHBondContact O-N 2.96Å
354A97.8Very high97.9Very high2 Ų224.6 Ų24.62%0.01713%0.133CC..Hα-helixtrans-64.3-39.1-17900000112.6R135 L136 K139 L350 Q351 G356R135-A354 HydrophobicContact CB-CB 3.72Å; L136-A354 HydrophobicContact CD2-CB 3.7Å; L136-A354 HydrophobicContact CG-CB 3.87Å; K139-A354 WeakPolarHBondContact CE-O 3.43Å; L350-A354 WeakPolarHBondContact O-CB 3.44Å; L350-A354 PolarHBondContact O-N 3.34Å; Q351-A354 PolarHBondContact O-N 2.99Å; A354-G356 PolarHBondContact O-N 3.32Å
355E96.4Very high97.8Very high46 Ų4629.2 Ų29.222%0.21516%0.155CC..Hα-helixtrans-58.3-45.3178-80.5170.3173.100112.3R135 Q351 N352 I353 N475 S476R135-E355 HydrophobicContact CB-CG 4.49Å; R135-E355 HydrophobicContact CG-CG 3.74Å; R135-E355 IonicContact CZ-OE1 3.78Å; R135-E355 IonicContact NE-OE1 3.66Å; R135-E355 PolarHBondContact NE-OE1 3.26Å; R135-E355 IonicContact NH2-OE1 2.81Å; R135-E355 PolarHBondContact NH2-OE1 3.44Å; Q351-E355 PolarHBondContact NE2-OE1 3.15Å; Q351-E355 WeakPolarHBondContact O-CB 3.36Å; Q351-E355 VanDerWaalsContact O-CG 3.31Å; Q351-E355 WeakPolarHBondContact O-CG 3.43Å; Q351-E355 PolarHBondContact O-N 3.24Å; N352-E355 PolarHBondContact O-N 3.35Å; I353-E355 PolarHBondContact O-N 3.07Å; E355-N475 WeakPolarHBondContact OE1-CA 3.2Å; E355-S476 PolarHBondContact OE1-N 3.49Å; E355-S476 PolarHBondContact OE2-N 2.87Å
356G95.3Very high97.8Very high24 Ų2431.9 Ų31.925%0.24718%0.177CC..THydrogen-bonded Turntrans-111.620.7-175.300000115.1P276 N352 I353 A354 I358P276-G356 WeakPolarHBondContact CB-O 2.97Å; P276-G356 WeakPolarHBondContact CD-O 3.47Å; N352-G356 PolarHBondContact O-N 3.21Å; I353-G356 PolarHBondContact O-N 3.16Å; A354-G356 PolarHBondContact O-N 3.32Å; G356-I358 WeakPolarHBondContact O-CG1 3.47Å; G356-I358 PolarHBondContact O-N 3.05Å
357L97.3Very high97.7Very high5 Ų534 Ų343%0.02619%0.189CC..  trans-56.7124.3178.5-16573.3000110.5K139 W169 I264 V273 I353K139-L357 PolarHBondContact NZ-O 2.67Å; W169-L357 HydrophobicContact CZ3-CD2 4.34Å; I264-L357 HydrophobicContact CD1-CD1 4.24Å; V273-L357 HydrophobicContact CG1-CD1 3.48Å; V273-L357 VanDerWaalsContact CG1-CD1 3.48Å; V273-L357 HydrophobicContact CG1-CD2 4.26Å; V273-L357 HydrophobicContact CG1-CG 3.78Å; I353-L357 HydrophobicContact CG2-CD1 4.14Å; I353-L357 WeakPolarHBondContact O-CA 3.47Å; I353-L357 WeakPolarHBondContact O-CB 3.48Å; I353-L357 PolarHBondContact O-N 2.96Å
358I97.2Very high97.6Very high57 Ų5734.2 Ų34.229%0.29219%0.19SC..EExtended strand (participates in β ladder)trans-103129.3-178.6-52.1177.1000108.4V273 E274 G356 Y360V273-I358 CarbonylContact C-O 3.43Å; V273-I358 VanDerWaalsContact CA-O 3.24Å; V273-I358 WeakPolarHBondContact CA-O 3.41Å; V273-I358 WeakPolarHBondContact CG1-O 3.26Å; E274-I358 HydrophobicContact CB-CB 4.33Å; E274-I358 PolarHBondContact N-O 2.96Å; E274-I358 PolarHBondContact O-N 3.49Å; G356-I358 WeakPolarHBondContact O-CG1 3.47Å; G356-I358 PolarHBondContact O-N 3.05Å; I358-Y360 HydrophobicContact CG2-CE1 4.31Å; I358-Y360 HydrophobicContact CG2-CE2 3.93Å
359V97.7Very high97.4Very high20 Ų2036.8 Ų36.812%0.12120%0.203CC..EExtended strand (participates in β ladder)trans-117139.7179.7178.10000109L146 V273 P361 M364L146-V359 HydrophobicContact CD2-CG1 3.51Å; V273-V359 HydrophobicContact CG2-CG2 4.41Å; V359-P361 VanDerWaalsContact O-CD 3.26Å; V359-P361 WeakPolarHBondContact O-CD 3.25Å; V359-M364 HydrophobicContact CG1-CE 3.64Å; V359-M364 HydrophobicContact CG1-SD 3.95Å
360Y98.2Very high97.2Very high71 Ų7139.3 Ų39.328%0.27822%0.221SC..  trans-113.286179.8-65-78.9000111.9H271 E272 E274 I358 M362 V363 M364H271-Y360 WeakPolarHBondContact O-CD2 3.43Å; E272-Y360 PolarHBondContact O-N 2.94Å; E274-Y360 HydrophobicContact CB-CE2 4.09Å; E274-Y360 HydrophobicContact CG-CE2 3.81Å; E274-Y360 PolarHBondContact OE2-OH 3.49Å; I358-Y360 HydrophobicContact CG2-CE1 4.31Å; I358-Y360 HydrophobicContact CG2-CE2 3.93Å; Y360-M362 VanDerWaalsContact C-N 3.33Å; Y360-M362 PolarHBondContact O-N 3.2Å; Y360-V363 PolarHBondContact O-N 3.28Å; Y360-V363 VanDerWaalsContact O-N 3.12Å; Y360-M364 PolarHBondContact O-N 3.12Å; Y360-M364 VanDerWaalsContact O-N 3.08Å
361P98.4Very high97Very high51 Ų5142 Ų4233%0.33123%0.233SC..Hα-helixtrans-54.4-43.3-176.1-29.536.2000114.3L146 V359 V363 M364 E365L146-P361 HydrophobicContact CD1-CB 3.78Å; L146-P361 HydrophobicContact CD1-CG 4.29Å; L146-P361 HydrophobicContact CD2-CB 4.43Å; L146-P361 HydrophobicContact CD2-CG 4.15Å; V359-P361 VanDerWaalsContact O-CD 3.26Å; V359-P361 WeakPolarHBondContact O-CD 3.25Å; P361-V363 VanDerWaalsContact C-N 3.3Å; P361-V363 PolarHBondContact O-N 2.96Å; P361-M364 WeakPolarHBondContact O-CB 3.42Å; P361-M364 PolarHBondContact O-N 3.47Å; P361-E365 WeakPolarHBondContact O-CB 3.5Å; P361-E365 PolarHBondContact O-N 3.01Å
362M98.3Very high96.8Very high137 Ų13742.3 Ų42.368%0.67524%0.235SC*.Hα-helixtrans-66.8-31.8-177.9-59.6-66105.300112.4Y360 A366Y360-M362 VanDerWaalsContact C-N 3.33Å; Y360-M362 PolarHBondContact O-N 3.2Å; M362-A366 WeakPolarHBondContact O-CB 3.44Å; M362-A366 PolarHBondContact O-N 2.85Å
363V98.1Very high96.6Very high46 Ų4641.9 Ų41.928%0.27923%0.234SC..Hα-helixtrans-73.2-42.7174.9178.40000110.3H271 Y360 P361 E365 A366 N367H271-V363 HydrophobicContact CB-CG1 3.99Å; H271-V363 WeakPolarHBondContact O-CG1 3.5Å; Y360-V363 PolarHBondContact O-N 3.28Å; Y360-V363 VanDerWaalsContact O-N 3.12Å; P361-V363 VanDerWaalsContact C-N 3.3Å; P361-V363 PolarHBondContact O-N 2.96Å; V363-E365 VanDerWaalsContact C-N 3.3Å; V363-E365 PolarHBondContact O-N 2.87Å; V363-A366 PolarHBondContact O-N 3.05Å; V363-N367 WeakPolarHBondContact O-CB 3.46Å; V363-N367 VanDerWaalsContact O-CG 3.27Å; V363-N367 PolarHBondContact O-N 2.94Å
364M98.3Very high96.4Very high0 Ų044.2 Ų44.20%024%0.244CC..Hα-helixtrans-59.2-42.6175-70.8-178.3172.200111.8L146 C148 M162 E272 V273 V359 Y360 P361 L368L146-M364 HydrophobicContact CD2-SD 3.76Å; L146-M364 HydrophobicContact CG-SD 4.13Å; C148-M364 HydrophobicContact CB-CB 4.19Å; C148-M364 HydrophobicContact CB-CG 4.26Å; C148-M364 HydrophobicContact CB-SD 3.91Å; M162-M364 HydrophobicContact CB-CE 4.37Å; M162-M364 HydrophobicContact CB-SD 4.36Å; M162-M364 HydrophobicContact CG-CE 3.97Å; M162-M364 HydrophobicContact SD-CE 3.63Å; E272-M364 HydrophobicContact CB-CE 3.78Å; E272-M364 HydrophobicContact CB-CG 3.87Å; E272-M364 HydrophobicContact CG-CG 3.76Å; E272-M364 WeakPolarHBondContact O-CE 3.5Å; V273-M364 HydrophobicContact CG2-CE 3.73Å; V359-M364 HydrophobicContact CG1-CE 3.64Å; V359-M364 HydrophobicContact CG1-SD 3.95Å; Y360-M364 PolarHBondContact O-N 3.12Å; Y360-M364 VanDerWaalsContact O-N 3.08Å; P361-M364 WeakPolarHBondContact O-CB 3.42Å; P361-M364 PolarHBondContact O-N 3.47Å; M364-L368 VanDerWaalsContact O-CB 3.31Å; M364-L368 WeakPolarHBondContact O-CB 3.44Å; M364-L368 PolarHBondContact O-N 3.24Å
365E97.2Very high96.2Very high97 Ų9745.4 Ų45.445%0.45325%0.25SC..Hα-helixtrans-63.3-47175.7-176179.6175.700111.5P361 V363 N367 L368 N369P361-E365 WeakPolarHBondContact O-CB 3.5Å; P361-E365 PolarHBondContact O-N 3.01Å; V363-E365 VanDerWaalsContact C-N 3.3Å; V363-E365 PolarHBondContact O-N 2.87Å; E365-N367 PolarHBondContact O-N 2.97Å; E365-L368 PolarHBondContact O-N 3.28Å; E365-N369 WeakPolarHBondContact O-CB 3.44Å; E365-N369 PolarHBondContact O-N 2.71Å; E365-N369 PolarHBondContact O-ND2 3.45Å
366A97.1Very high96Very high57 Ų5743.2 Ų43.247%0.47124%0.24SC..Hα-helixtrans-61-45177.200000112.4M362 V363 N369 S370M362-A366 WeakPolarHBondContact O-CB 3.44Å; M362-A366 PolarHBondContact O-N 2.85Å; V363-A366 PolarHBondContact O-N 3.05Å; A366-N369 PolarHBondContact O-N 3.3Å; A366-S370 PolarHBondContact O-N 3.42Å; A366-S370 VanDerWaalsContact O-N 3.12Å
367N97.2Very high95.8Very high45 Ų4543.6 Ų43.624%0.24124%0.237CC..Hα-helixtrans-61.4-44.8176.6-72.4-11.5000110.9F270 E272 V363 E365 S370F270-N367 PolarHBondContact O-ND2 3.46Å; E272-N367 WeakPolarHBondContact CG-ND2 3.35Å; E272-N367 PolarHBondContact OE1-ND2 3.47Å; V363-N367 WeakPolarHBondContact O-CB 3.46Å; V363-N367 VanDerWaalsContact O-CG 3.27Å; V363-N367 PolarHBondContact O-N 2.94Å; E365-N367 PolarHBondContact O-N 2.97Å; N367-S370 PolarHBondContact O-N 2.89Å; N367-S370 PolarHBondContact O-OG 3.29Å
368L96.6Very high95.3Very high4 Ų449.2 Ų49.22%0.02126%0.263CS..Hα-helixtrans-61.7-49.6176.217460.3000111.7I147 L149 P159 M364 E365 S370 E371 L372 L375 P442I147-L368 HydrophobicContact CB-CD2 4.48Å; I147-L368 HydrophobicContact CG2-CD2 3.68Å; L149-L368 HydrophobicContact CB-CD1 4.41Å; L149-L368 HydrophobicContact CD1-CD1 4.16Å; P159-L368 HydrophobicContact CB-CD1 4.21Å; P159-L368 HydrophobicContact CG-CD1 3.75Å; M364-L368 VanDerWaalsContact O-CB 3.31Å; M364-L368 WeakPolarHBondContact O-CB 3.44Å; M364-L368 PolarHBondContact O-N 3.24Å; E365-L368 PolarHBondContact O-N 3.28Å; L368-S370 PolarHBondContact O-N 3.38Å; L368-E371 PolarHBondContact O-N 3.24Å; L368-L372 HydrophobicContact CD1-CD1 4.37Å; L368-L372 WeakPolarHBondContact O-CB 3.5Å; L368-L372 PolarHBondContact O-N 2.72Å; L368-L375 HydrophobicContact CD1-CD1 4.12Å; L368-P442 HydrophobicContact CD2-CB 3.86Å; L368-P442 HydrophobicContact CD2-CG 4.11Å
369N94.4Very high95Very high74 Ų7449.1 Ų49.140%0.39626%0.259SS..Hα-helixtrans-61.3-28.4-177.5-73.9-16.5000112.8E365 A366 E371 P373E365-N369 WeakPolarHBondContact O-CB 3.44Å; E365-N369 PolarHBondContact O-N 2.71Å; E365-N369 PolarHBondContact O-ND2 3.45Å; A366-N369 PolarHBondContact O-N 3.3Å; N369-E371 VanDerWaalsContact C-N 3.27Å; N369-E371 PolarHBondContact O-N 3.45Å; N369-P373 WeakPolarHBondContact O-CD 3.43Å
370S93.1Very high94.8Very high61 Ų6148.2 Ų48.243%0.42725%0.254SS..Hα-helixtrans-66.1-29.6175.675.40000113.5A366 N367 L368 N417A366-S370 PolarHBondContact O-N 3.42Å; A366-S370 VanDerWaalsContact O-N 3.12Å; N367-S370 PolarHBondContact O-N 2.89Å; N367-S370 PolarHBondContact O-OG 3.29Å; L368-S370 PolarHBondContact O-N 3.38Å; S370-N417 PolarHBondContact O-ND2 3.26Å; S370-N417 VanDerWaalsContact O-ND2 3.14Å
371E94.9Very high94.6Very high56 Ų5645.5 Ų45.526%0.26224%0.244SC..Hα-helixtrans-103.3-20.7-178.1-61.3-63.4172.800112.9L149 P156 L368 N369 P373 F374 L375L149-E371 HydrophobicContact CD1-CB 4.21Å; L149-E371 HydrophobicContact CD2-CB 4.43Å; L149-E371 HydrophobicContact CD2-CG 3.9Å; P156-E371 HydrophobicContact CB-CB 4.13Å; P156-E371 HydrophobicContact CB-CG 3.84Å; P156-E371 VanDerWaalsContact CG-CD 3.42Å; P156-E371 HydrophobicContact CG-CG 3.7Å; L368-E371 PolarHBondContact O-N 3.24Å; N369-E371 VanDerWaalsContact C-N 3.27Å; N369-E371 PolarHBondContact O-N 3.45Å; E371-P373 VanDerWaalsContact C-N 3.33Å; E371-F374 WeakPolarHBondContact O-CB 3.42Å; E371-F374 PolarHBondContact O-N 3.16Å; E371-L375 HydrophobicContact CB-CD1 4.31Å; E371-L375 PolarHBondContact O-N 3.01Å
372L93.7Very high94.3Very high11 Ų1147.1 Ų47.16%0.05825%0.252CS..Hα-helixtrans-50.6-41.4-174-168.360.5000114.2L368 F374 L375 V376 L440 P442 M445L368-L372 HydrophobicContact CD1-CD1 4.37Å; L368-L372 WeakPolarHBondContact O-CB 3.5Å; L368-L372 PolarHBondContact O-N 2.72Å; L372-F374 PolarHBondContact O-N 2.77Å; L372-L375 PolarHBondContact O-N 2.89Å; L372-V376 HydrophobicContact CD1-CG1 4.01Å; L372-V376 HydrophobicContact CG-CG1 4.22Å; L372-V376 WeakPolarHBondContact O-CG1 3.43Å; L372-V376 WeakPolarHBondContact O-CG2 3.28Å; L372-V376 PolarHBondContact O-N 2.95Å; L372-L440 VanDerWaalsContact CD2-O 3.24Å; L372-L440 WeakPolarHBondContact CD2-O 3.33Å; L372-P442 HydrophobicContact CD1-CB 4.11Å; L372-M445 HydrophobicContact CD1-SD 3.78Å
373P93Very high94.1Very high14 Ų1444 Ų449%0.09124%0.235CC..Hα-helixtrans-55.6-37176.1-27.736.7000113.7N369 E371 V376 L419 M420N369-P373 WeakPolarHBondContact O-CD 3.43Å; E371-P373 VanDerWaalsContact C-N 3.33Å; P373-V376 WeakPolarHBondContact O-CG2 3.49Å; P373-L419 HydrophobicContact CB-CB 3.95Å; P373-L419 HydrophobicContact CB-CD2 4.23Å; P373-L419 HydrophobicContact CB-CG 4.39Å; P373-L419 WeakPolarHBondContact O-CD2 3.3Å; P373-M420 HydrophobicContact CB-CG 3.97Å; P373-M420 HydrophobicContact CB-SD 4.34Å; P373-M420 HydrophobicContact CG-CG 4.06Å
374F93.8Very high93.9Very high50 Ų5041.9 Ų41.922%0.21922%0.222CC..Hα-helixtrans-75.2-36.1176.5-63.5-54.8000111.8E371 L372 V376 V377 A406 A407 I410 N417 L419E371-F374 WeakPolarHBondContact O-CB 3.42Å; E371-F374 PolarHBondContact O-N 3.16Å; L372-F374 PolarHBondContact O-N 2.77Å; F374-V376 VanDerWaalsContact C-N 3.3Å; F374-V376 PolarHBondContact O-N 2.95Å; F374-V377 VanDerWaalsContact O-CG2 3.31Å; F374-V377 WeakPolarHBondContact O-CG2 3.25Å; F374-V377 PolarHBondContact O-N 3.48Å; F374-A406 HydrophobicContact CE1-CB 4.14Å; F374-A406 HydrophobicContact CZ-CB 4.17Å; F374-A407 HydrophobicContact CE1-CB 4.41Å; F374-A407 HydrophobicContact CZ-CB 4.12Å; F374-I410 HydrophobicContact CE2-CD1 3.59Å; F374-I410 HydrophobicContact CZ-CD1 3.73Å; F374-N417 VanDerWaalsContact CD2-ND2 3.28Å; F374-N417 WeakPolarHBondContact CD2-ND2 3.34Å; F374-N417 WeakPolarHBondContact CE2-ND2 3.47Å; F374-L419 HydrophobicContact CD1-CD2 3.54Å; F374-L419 HydrophobicContact CE1-CB 4.38Å; F374-L419 HydrophobicContact CE1-CD2 3.86Å; F374-L419 HydrophobicContact CG-CD2 4.45Å
375L93.3Very high93.7Very high28 Ų2844.7 Ų44.715%0.14724%0.239CC..Hα-helixtrans-70.4-26.9-177.6-60176.3000112.7L149 P159 L368 E371 L372 M445L149-L375 HydrophobicContact CD1-CD1 3.68Å; P159-L375 HydrophobicContact CG-CD1 4.23Å; L368-L375 HydrophobicContact CD1-CD1 4.12Å; E371-L375 HydrophobicContact CB-CD1 4.31Å; E371-L375 PolarHBondContact O-N 3.01Å; L372-L375 PolarHBondContact O-N 2.89Å; L375-M445 HydrophobicContact CB-CE 3.84Å; L375-M445 VanDerWaalsContact O-CE 3.3Å; L375-M445 WeakPolarHBondContact O-CE 3.46Å
376V92.6Very high93.5Very high0 Ų043.6 Ų43.60%024%0.242CC..THydrogen-bonded Turntrans-86.2-4.7-179.5-61.10000114L372 P373 F374 E378 R379 I380 V439 L440 M445L372-V376 HydrophobicContact CD1-CG1 4.01Å; L372-V376 HydrophobicContact CG-CG1 4.22Å; L372-V376 WeakPolarHBondContact O-CG1 3.43Å; L372-V376 WeakPolarHBondContact O-CG2 3.28Å; L372-V376 PolarHBondContact O-N 2.95Å; P373-V376 WeakPolarHBondContact O-CG2 3.49Å; F374-V376 VanDerWaalsContact C-N 3.3Å; F374-V376 PolarHBondContact O-N 2.95Å; V376-E378 PolarHBondContact O-N 3.25Å; V376-E378 VanDerWaalsContact O-N 3.17Å; V376-R379 WeakPolarHBondContact O-CA 3.4Å; V376-R379 WeakPolarHBondContact O-CB 3.37Å; V376-R379 PolarHBondContact O-N 3.44Å; V376-I380 HydrophobicContact CG2-CD1 3.81Å; V376-I380 HydrophobicContact CG2-CG1 4.35Å; V376-I380 WeakPolarHBondContact O-CG1 3.44Å; V376-I380 PolarHBondContact O-N 2.94Å; V376-V439 HydrophobicContact CB-CG1 4.21Å; V376-V439 VanDerWaalsContact CG1-O 3.3Å; V376-V439 WeakPolarHBondContact CG1-O 3.06Å; V376-L440 HydrophobicContact CG1-CD2 4.3Å; V376-L440 HydrophobicContact CG2-CD2 3.8Å; V376-M445 HydrophobicContact CG1-CE 4.17Å; V376-M445 HydrophobicContact CG1-SD 3.7Å
377V91.6Very high93.1Very high31 Ų3146.3 Ų46.319%0.18825%0.245CC..Hα-helixtrans-53.6-40.7-176.6170.40000111.9F374 I380 L381 L399 L419F374-V377 VanDerWaalsContact O-CG2 3.31Å; F374-V377 WeakPolarHBondContact O-CG2 3.25Å; F374-V377 PolarHBondContact O-N 3.48Å; V377-I380 PolarHBondContact O-N 3.42Å; V377-L381 WeakPolarHBondContact O-CB 3.3Å; V377-L381 PolarHBondContact O-N 3.14Å; V377-L399 HydrophobicContact CG1-CB 3.92Å; V377-L399 HydrophobicContact CG1-CD1 4.02Å; V377-L399 HydrophobicContact CG1-CD2 4.32Å; V377-L399 HydrophobicContact CG1-CG 4.31Å; V377-L419 HydrophobicContact CG2-CD2 3.89Å
378E86.9Confident92.4Very high123 Ų12345.3 Ų45.358%0.57525%0.245SC*.Hα-helixtrans-65.8-41.4176.2-174.4176.5-167.700112.2V376 I380 L381 V382V376-E378 PolarHBondContact O-N 3.25Å; V376-E378 VanDerWaalsContact O-N 3.17Å; E378-I380 VanDerWaalsContact C-N 3.33Å; E378-I380 PolarHBondContact O-N 3.02Å; E378-L381 WeakPolarHBondContact O-CB 3.35Å; E378-L381 PolarHBondContact O-N 2.93Å; E378-V382 WeakPolarHBondContact O-CG2 3.49Å; E378-V382 PolarHBondContact O-N 2.86Å
379R90.9Very high91.8Very high56 Ų5649.6 Ų49.621%0.21128%0.282CS..Hα-helixtrans-65.3-38.8176.7-65.7-178.967.3-166-2.5111.5V376 V382 K383 T438 V439 D441V376-R379 WeakPolarHBondContact O-CA 3.4Å; V376-R379 WeakPolarHBondContact O-CB 3.37Å; V376-R379 PolarHBondContact O-N 3.44Å; R379-V382 PolarHBondContact O-N 2.9Å; R379-K383 WeakPolarHBondContact O-CB 3.5Å; R379-K383 WeakPolarHBondContact O-CG 3.2Å; R379-K383 PolarHBondContact O-N 3.46Å; R379-T438 PolarHBondContact NH2-O 2.78Å; R379-V439 HydrophobicContact CB-CG1 3.94Å; R379-V439 PolarHBondContact NH1-O 3.2Å; R379-D441 PolarHBondContact NH1-O 3.16Å
380I93.4Very high91.5Very high1 Ų147 Ų471%0.00527%0.27CS..Hα-helixtrans-61.7-48.1173.7-69.8174.9000110.2V376 V377 E378 V382 K383 M384 L399 M420 L423 F429 I432 L436 V439V376-I380 HydrophobicContact CG2-CD1 3.81Å; V376-I380 HydrophobicContact CG2-CG1 4.35Å; V376-I380 WeakPolarHBondContact O-CG1 3.44Å; V376-I380 PolarHBondContact O-N 2.94Å; V377-I380 PolarHBondContact O-N 3.42Å; E378-I380 VanDerWaalsContact C-N 3.33Å; E378-I380 PolarHBondContact O-N 3.02Å; I380-V382 PolarHBondContact O-N 3.38Å; I380-K383 PolarHBondContact O-N 3.24Å; I380-M384 HydrophobicContact CG2-CG 4.37Å; I380-M384 WeakPolarHBondContact O-CB 3.44Å; I380-M384 WeakPolarHBondContact O-CG 3.31Å; I380-M384 PolarHBondContact O-N 3.44Å; I380-L399 HydrophobicContact CB-CD2 4.43Å; I380-L399 HydrophobicContact CG2-CD1 4.16Å; I380-L399 HydrophobicContact CG2-CD2 3.72Å; I380-M420 HydrophobicContact CD1-SD 4.43Å; I380-L423 HydrophobicContact CD1-CD1 3.64Å; I380-F429 HydrophobicContact CG2-CD1 4.22Å; I380-F429 HydrophobicContact CG2-CE1 4.33Å; I380-I432 HydrophobicContact CB-CD1 4.36Å; I380-I432 HydrophobicContact CG1-CD1 4.4Å; I380-I432 HydrophobicContact CG2-CD1 3.62Å; I380-L436 HydrophobicContact CD1-CD2 4.47Å; I380-V439 HydrophobicContact CG1-CG1 3.58Å
381L93.8Very high91.6Very high14 Ų1448.6 Ų48.67%0.07327%0.274CS..Hα-helixtrans-56.5-49.4176.9176.762.2000111.4V377 E378 K383 M384 V385 R392 C395 H396 L399V377-L381 WeakPolarHBondContact O-CB 3.3Å; V377-L381 PolarHBondContact O-N 3.14Å; E378-L381 WeakPolarHBondContact O-CB 3.35Å; E378-L381 PolarHBondContact O-N 2.93Å; L381-K383 PolarHBondContact O-N 2.82Å; L381-M384 PolarHBondContact O-N 2.88Å; L381-V385 HydrophobicContact CD1-CG2 4.42Å; L381-V385 WeakPolarHBondContact O-CG2 3.47Å; L381-V385 PolarHBondContact O-N 3.31Å; L381-V385 VanDerWaalsContact O-N 3.08Å; L381-R392 HydrophobicContact CD1-CG 4.03Å; L381-R392 WeakPolarHBondContact CD1-O 3.4Å; L381-R392 HydrophobicContact CD2-CG 4.36Å; L381-R392 HydrophobicContact CG-CG 4.41Å; L381-C395 HydrophobicContact CD1-CB 3.64Å; L381-C395 VanDerWaalsContact CD1-SG 3.58Å; L381-H396 HydrophobicContact CD1-CB 4.27Å; L381-H396 HydrophobicContact CD2-CB 4.42Å; L381-L399 HydrophobicContact CB-CD1 3.8Å; L381-L399 HydrophobicContact CD1-CD1 4.36Å
382V93.2Very high91.6Very high84 Ų8452.9 Ų52.951%0.50929%0.288SS..Hα-helixtrans-59.7-46.7178.9170.90000110.7E378 R379 I380 V385 S386E378-V382 WeakPolarHBondContact O-CG2 3.49Å; E378-V382 PolarHBondContact O-N 2.86Å; R379-V382 PolarHBondContact O-N 2.9Å; I380-V382 PolarHBondContact O-N 3.38Å; V382-V385 PolarHBondContact O-N 3.37Å; V382-S386 WeakPolarHBondContact O-CB 3.32Å; V382-S386 PolarHBondContact O-N 3.01Å; V382-S386 PolarHBondContact O-OG 3.24Å
383K92.9Very high91.6Very high71 Ų7158.1 Ų58.131%0.30931%0.312SS..Hα-helixtrans-67.6-36.1-179.6-77-68.4179.1-175.80113.6R379 I380 L381 V385 S386 E387 G388 I432 L435 V439R379-K383 WeakPolarHBondContact O-CB 3.5Å; R379-K383 WeakPolarHBondContact O-CG 3.2Å; R379-K383 PolarHBondContact O-N 3.46Å; I380-K383 PolarHBondContact O-N 3.24Å; L381-K383 PolarHBondContact O-N 2.82Å; K383-V385 VanDerWaalsContact C-N 3.33Å; K383-V385 PolarHBondContact O-N 2.91Å; K383-S386 PolarHBondContact O-N 3.34Å; K383-E387 HydrophobicContact CD-CG 3.77Å; K383-E387 IonicContact NZ-OE1 3.86Å; K383-E387 PolarHBondContact NZ-OE1 3.02Å; K383-E387 WeakPolarHBondContact O-CB 3.49Å; K383-E387 PolarHBondContact O-N 3.19Å; K383-G388 PolarHBondContact O-N 2.77Å; K383-I432 HydrophobicContact CB-CG2 4.19Å; K383-L435 HydrophobicContact CD-CD1 4.29Å; K383-V439 HydrophobicContact CG-CG2 4Å
384M94.6Very high91.7Very high3 Ų361.4 Ų61.42%0.01533%0.326CS..Hα-helixtrans-61.5-42172.7-81.1-60.1-70.200112I380 L381 G388 A389 A390 C395 Y428 F429 I432I380-M384 HydrophobicContact CG2-CG 4.37Å; I380-M384 WeakPolarHBondContact O-CB 3.44Å; I380-M384 WeakPolarHBondContact O-CG 3.31Å; I380-M384 PolarHBondContact O-N 3.44Å; L381-M384 PolarHBondContact O-N 2.88Å; M384-G388 CarbonylContact O-C 3.02Å; M384-G388 VanDerWaalsContact O-C 3.28Å; M384-G388 WeakPolarHBondContact O-CA 3.19Å; M384-G388 PolarHBondContact O-N 3.44Å; M384-G388 VanDerWaalsContact O-N 3.09Å; M384-A389 PolarHBondContact O-N 3.01Å; M384-A390 HydrophobicContact CB-CB 4.07Å; M384-A390 HydrophobicContact CE-CB 3.88Å; M384-A390 VanDerWaalsContact O-CB 3.28Å; M384-A390 WeakPolarHBondContact O-CB 3.32Å; M384-A390 PolarHBondContact O-N 2.92Å; M384-C395 VanDerWaalsContact CB-SG 3.58Å; M384-Y428 HydrophobicContact CE-CD1 3.78Å; M384-Y428 HydrophobicContact CE-CE1 3.61Å; M384-Y428 WeakPolarHBondContact CE-O 3.12Å; M384-F429 HydrophobicContact CE-CD1 4.31Å; M384-F429 HydrophobicContact CG-CD1 4Å; M384-F429 HydrophobicContact CG-CE1 4.45Å; M384-F429 HydrophobicContact SD-CD1 4.14Å; M384-I432 HydrophobicContact CG-CD1 3.96Å; M384-I432 HydrophobicContact CG-CG1 4.27Å; M384-I432 HydrophobicContact CG-CG2 4.12Å; M384-I432 HydrophobicContact SD-CB 4.19Å; M384-I432 HydrophobicContact SD-CD1 4.05Å; M384-I432 HydrophobicContact SD-CG1 3.68Å; M384-I432 HydrophobicContact SD-CG2 3.54Å; M384-I432 VanDerWaalsContact SD-CG2 3.54Å
385V93.7Very high91.8Very high59 Ų5959 Ų5936%0.35832%0.316SS..Hα-helixtrans-70.8-45.7177.9175.10000111.1L381 V382 K383 R392L381-V385 HydrophobicContact CD1-CG2 4.42Å; L381-V385 WeakPolarHBondContact O-CG2 3.47Å; L381-V385 PolarHBondContact O-N 3.31Å; L381-V385 VanDerWaalsContact O-N 3.08Å; V382-V385 PolarHBondContact O-N 3.37Å; K383-V385 VanDerWaalsContact C-N 3.33Å; K383-V385 PolarHBondContact O-N 2.91Å; V385-R392 HydrophobicContact CG2-CB 3.76Å; V385-R392 HydrophobicContact CG2-CG 4.15Å
386S93.2Very high91.9Very high73 Ų7361.4 Ų61.451%0.5133%0.326SS..Hα-helixtrans-78.3-38.2-172.469.10000114.1V382 K383V382-S386 WeakPolarHBondContact O-CB 3.32Å; V382-S386 PolarHBondContact O-N 3.01Å; V382-S386 PolarHBondContact O-OG 3.24Å; K383-S386 PolarHBondContact O-N 3.34Å
387E88.3Confident92.1Very high114 Ų11465.2 Ų65.253%0.53334%0.344SS..THydrogen-bonded Turntrans-106.3-34.2-175.1-49.6-72174.500112K383 L435K383-E387 HydrophobicContact CD-CG 3.77Å; K383-E387 IonicContact NZ-OE1 3.86Å; K383-E387 PolarHBondContact NZ-OE1 3.02Å; K383-E387 WeakPolarHBondContact O-CB 3.49Å; K383-E387 PolarHBondContact O-N 3.19Å; E387-L435 HydrophobicContact CB-CD1 4.14Å; E387-L435 HydrophobicContact CG-CD1 3.78Å
388G82.6Confident92.2Very high24 Ų2466.6 Ų66.625%0.24735%0.346CS..SBendtrans-91.5-0.5-177.600000114.6K383 M384 A390K383-G388 PolarHBondContact O-N 2.77Å; M384-G388 CarbonylContact O-C 3.02Å; M384-G388 VanDerWaalsContact O-C 3.28Å; M384-G388 WeakPolarHBondContact O-CA 3.19Å; M384-G388 PolarHBondContact O-N 3.44Å; M384-G388 VanDerWaalsContact O-N 3.09Å; G388-A390 PolarHBondContact O-N 3.39Å; G388-A390 VanDerWaalsContact O-N 3.07Å
389A82.9Confident92.7Very high95 Ų9560.8 Ų60.879%0.78532%0.319SS*.  trans50.229.6-173.400000113.7M384M384-A389 PolarHBondContact O-N 3.01Å
390A89.7Confident92.9Very high19 Ų1963.8 Ų63.816%0.15733%0.33CS..  trans-77150.1-174.900000112.3M384 G388 R392M384-A390 HydrophobicContact CB-CB 4.07Å; M384-A390 HydrophobicContact CE-CB 3.88Å; M384-A390 VanDerWaalsContact O-CB 3.28Å; M384-A390 WeakPolarHBondContact O-CB 3.32Å; M384-A390 PolarHBondContact O-N 2.92Å; G388-A390 PolarHBondContact O-N 3.39Å; G388-A390 VanDerWaalsContact O-N 3.07Å; A390-R392 PolarHBondContact O-N 2.89Å
391N94.2Very high93Very high95 Ų9569.7 Ų69.751%0.50836%0.355SS..  trans-68121.7168.1-177.5-73.6000110Q393 E394 C395 Y428N391-Q393 VanDerWaalsContact C-N 3.3Å; N391-Q393 PolarHBondContact O-N 2.68Å; N391-Q393 WeakPolarHBondContact OD1-CA 3.45Å; N391-Q393 WeakPolarHBondContact OD1-CB 3.26Å; N391-Q393 PolarHBondContact OD1-N 3.03Å; N391-E394 HydrophobicContact CB-CB 4.14Å; N391-E394 PolarHBondContact O-N 3.43Å; N391-E394 PolarHBondContact OD1-N 3.43Å; N391-C395 WeakPolarHBondContact O-CB 3.49Å; N391-C395 PolarHBondContact O-N 3.22Å; N391-Y428 PolarHBondContact O-OH 3.37Å
392R94.6Very high93.2Very high145 Ų14570.2 Ų70.255%0.54736%0.358SS..Hα-helixtrans-55-43.2-179.1-174.3-174.2177.9-82.6-0.9113L381 V385 A390 H396L381-R392 HydrophobicContact CD1-CG 4.03Å; L381-R392 WeakPolarHBondContact CD1-O 3.4Å; L381-R392 HydrophobicContact CD2-CG 4.36Å; L381-R392 HydrophobicContact CG-CG 4.41Å; V385-R392 HydrophobicContact CG2-CB 3.76Å; V385-R392 HydrophobicContact CG2-CG 4.15Å; A390-R392 PolarHBondContact O-N 2.89Å; R392-H396 VanDerWaalsContact O-CB 3.29Å; R392-H396 WeakPolarHBondContact O-CB 3.2Å; R392-H396 PolarHBondContact O-N 2.79Å
393Q94.8Very high93.3Very high121 Ų12167 Ų6757%0.56534%0.339SS*.Hα-helixtrans-70.8-41.1-174.7-167.863.426.100111.4N391 E397N391-Q393 VanDerWaalsContact C-N 3.3Å; N391-Q393 PolarHBondContact O-N 2.68Å; N391-Q393 WeakPolarHBondContact OD1-CA 3.45Å; N391-Q393 WeakPolarHBondContact OD1-CB 3.26Å; N391-Q393 PolarHBondContact OD1-N 3.03Å; Q393-E397 PolarHBondContact O-N 3.38Å; Q393-E397 VanDerWaalsContact O-N 3.1Å
394E95.1Very high93.5Very high84 Ų8469.6 Ų69.639%0.39335%0.352SS..Hα-helixtrans-64.1-46.9174.1-170.4-171.517100111.2N391 H396 E397 R398 Y428N391-E394 HydrophobicContact CB-CB 4.14Å; N391-E394 PolarHBondContact O-N 3.43Å; N391-E394 PolarHBondContact OD1-N 3.43Å; E394-H396 VanDerWaalsContact C-N 3.34Å; E394-H396 PolarHBondContact O-N 3.22Å; E394-E397 PolarHBondContact O-N 3.46Å; E394-R398 PolarHBondContact O-N 3.41Å; E394-R398 IonicContact OE1-CZ 3.93Å; E394-R398 IonicContact OE1-NE 2.64Å; E394-R398 PolarHBondContact OE1-NE 3.42Å; E394-R398 IonicContact OE1-NH2 2.79Å; E394-R398 PolarHBondContact OE1-NH2 3.05Å; E394-Y428 HydrophobicContact CG-CE2 4.15Å; E394-Y428 WeakPolarHBondContact OE1-CE2 3.48Å
395C95Very high93.6Very high0 Ų073 Ų730%037%0.367CS..Hα-helixtrans-59.9-45.5179.5-176.70000111.4L381 M384 N391 E397 R398 L399 Y428L381-C395 HydrophobicContact CD1-CB 3.64Å; L381-C395 VanDerWaalsContact CD1-SG 3.58Å; M384-C395 VanDerWaalsContact CB-SG 3.58Å; N391-C395 WeakPolarHBondContact O-CB 3.49Å; N391-C395 PolarHBondContact O-N 3.22Å; C395-E397 PolarHBondContact O-N 2.96Å; C395-R398 PolarHBondContact O-N 2.91Å; C395-L399 WeakPolarHBondContact O-CB 3.14Å; C395-L399 VanDerWaalsContact O-CG 3.3Å; C395-L399 WeakPolarHBondContact O-CG 3.29Å; C395-L399 PolarHBondContact O-N 3.23Å; C395-Y428 WeakPolarHBondContact CA-OH 3.48Å; C395-Y428 HydrophobicContact CB-CE1 3.83Å; C395-Y428 WeakPolarHBondContact CB-OH 3.33Å; C395-Y428 PolarHBondContact N-OH 3.19Å
396H96.4Very high93.7Very high77 Ų7770.1 Ų70.136%0.35635%0.35SS..Hα-helixtrans-59.1-44.6176.3178.5-80.4000112.1L381 R392 E394 L399 R400L381-H396 HydrophobicContact CD1-CB 4.27Å; L381-H396 HydrophobicContact CD2-CB 4.42Å; R392-H396 VanDerWaalsContact O-CB 3.29Å; R392-H396 WeakPolarHBondContact O-CB 3.2Å; R392-H396 PolarHBondContact O-N 2.79Å; E394-H396 VanDerWaalsContact C-N 3.34Å; E394-H396 PolarHBondContact O-N 3.22Å; H396-L399 PolarHBondContact O-N 3Å; H396-R400 WeakPolarHBondContact O-CB 3.47Å; H396-R400 PolarHBondContact O-N 3.4Å
397E95.4Very high93.8Very high80 Ų8067.8 Ų67.837%0.37434%0.335SS..Hα-helixtrans-65.1-41.4180-174.254.4-14400112.2Q393 E394 C395 R400 K401Q393-E397 PolarHBondContact O-N 3.38Å; Q393-E397 VanDerWaalsContact O-N 3.1Å; E394-E397 PolarHBondContact O-N 3.46Å; C395-E397 PolarHBondContact O-N 2.96Å; E397-R400 WeakPolarHBondContact O-CB 3.47Å; E397-R400 PolarHBondContact O-N 3.36Å; E397-R400 IonicContact OE1-CZ 3.37Å; E397-R400 VanDerWaalsContact OE1-CZ 3.27Å; E397-R400 IonicContact OE1-NE 3.94Å; E397-R400 PolarHBondContact OE1-NE 3.46Å; E397-R400 IonicContact OE1-NH2 2.78Å; E397-R400 PolarHBondContact OE1-NH2 3.26Å; E397-R400 IonicContact OE2-CZ 3.5Å; E397-R400 IonicContact OE2-NE 2.77Å; E397-R400 PolarHBondContact OE2-NE 3.18Å; E397-R400 VanDerWaalsContact OE2-NE 3.12Å; E397-R400 IonicContact OE2-NH1 2.62Å; E397-R400 IonicContact OE2-NH2 3.08Å; E397-R400 PolarHBondContact OE2-NH2 3.03Å; E397-K401 PolarHBondContact O-N 3.37Å
398R95.4Very high94.2Very high61 Ų6164.2 Ų64.223%0.2333%0.325CS..Hα-helixtrans-64.2-46.2175.1-70.3-173.7-175.7-130.19.5111.9E394 C395 R400 K401 H402 D426 Y428 F429E394-R398 PolarHBondContact O-N 3.41Å; E394-R398 IonicContact OE1-CZ 3.93Å; E394-R398 IonicContact OE1-NE 2.64Å; E394-R398 PolarHBondContact OE1-NE 3.42Å; E394-R398 IonicContact OE1-NH2 2.79Å; E394-R398 PolarHBondContact OE1-NH2 3.05Å; C395-R398 PolarHBondContact O-N 2.91Å; R398-R400 VanDerWaalsContact C-N 3.29Å; R398-R400 PolarHBondContact O-N 2.88Å; R398-K401 PolarHBondContact O-N 2.86Å; R398-H402 PolarHBondContact O-CD2 3.24Å; R398-H402 VanDerWaalsContact O-CD2 3.26Å; R398-H402 PolarHBondContact O-N 2.87Å; R398-D426 IonicContact NH1-OD1 2.87Å; R398-D426 PolarHBondContact NH1-OD1 3.21Å; R398-D426 IonicContact NH1-OD2 2.89Å; R398-Y428 VanDerWaalsContact CD-CG 3.46Å; R398-Y428 VanDerWaalsContact CZ-CD2 3.44Å; R398-Y428 VanDerWaalsContact NH1-CB 3.34Å; R398-F429 HydrophobicContact CB-CE2 4.31Å; R398-F429 HydrophobicContact CB-CZ 3.9Å
399L96Very high94.8Very high1 Ų165 Ų651%0.00532%0.322CS..Hα-helixtrans-58.5-42.5175.4-75.1167.5000111.5V377 I380 L381 C395 H396 S403 L423 F429V377-L399 HydrophobicContact CG1-CB 3.92Å; V377-L399 HydrophobicContact CG1-CD1 4.02Å; V377-L399 HydrophobicContact CG1-CD2 4.32Å; V377-L399 HydrophobicContact CG1-CG 4.31Å; I380-L399 HydrophobicContact CB-CD2 4.43Å; I380-L399 HydrophobicContact CG2-CD1 4.16Å; I380-L399 HydrophobicContact CG2-CD2 3.72Å; L381-L399 HydrophobicContact CB-CD1 3.8Å; L381-L399 HydrophobicContact CD1-CD1 4.36Å; C395-L399 WeakPolarHBondContact O-CB 3.14Å; C395-L399 VanDerWaalsContact O-CG 3.3Å; C395-L399 WeakPolarHBondContact O-CG 3.29Å; C395-L399 PolarHBondContact O-N 3.23Å; H396-L399 PolarHBondContact O-N 3Å; L399-S403 WeakPolarHBondContact O-CB 3.29Å; L399-S403 PolarHBondContact O-N 3.43Å; L399-S403 PolarHBondContact O-OG 3.38Å; L399-L423 HydrophobicContact CD2-CD1 4.01Å; L399-L423 HydrophobicContact CD2-CD2 3.79Å; L399-F429 HydrophobicContact CD1-CE1 4.46Å; L399-F429 HydrophobicContact CD2-CE1 3.64Å; L399-F429 HydrophobicContact CD2-CZ 3.82Å; L399-F429 HydrophobicContact CG-CE1 3.78Å; L399-F429 HydrophobicContact CG-CZ 3.89Å
400R95.8Very high95.4Very high118 Ų11863 Ų6345%0.44530%0.298SS..Hα-helixtrans-59.8-47.9176.5-174.9-179.477.2163.95.7111.4H396 E397 R398 S403 H404H396-R400 WeakPolarHBondContact O-CB 3.47Å; H396-R400 PolarHBondContact O-N 3.4Å; E397-R400 WeakPolarHBondContact O-CB 3.47Å; E397-R400 PolarHBondContact O-N 3.36Å; E397-R400 IonicContact OE1-CZ 3.37Å; E397-R400 VanDerWaalsContact OE1-CZ 3.27Å; E397-R400 IonicContact OE1-NE 3.94Å; E397-R400 PolarHBondContact OE1-NE 3.46Å; E397-R400 IonicContact OE1-NH2 2.78Å; E397-R400 PolarHBondContact OE1-NH2 3.26Å; E397-R400 IonicContact OE2-CZ 3.5Å; E397-R400 IonicContact OE2-NE 2.77Å; E397-R400 PolarHBondContact OE2-NE 3.18Å; E397-R400 VanDerWaalsContact OE2-NE 3.12Å; E397-R400 IonicContact OE2-NH1 2.62Å; E397-R400 IonicContact OE2-NH2 3.08Å; E397-R400 PolarHBondContact OE2-NH2 3.03Å; R398-R400 VanDerWaalsContact C-N 3.29Å; R398-R400 PolarHBondContact O-N 2.88Å; R400-S403 PolarHBondContact O-N 3.2Å; R400-H404 PolarHBondContact O-N 3.12Å
401K96.3Very high95.7Very high125 Ų12570.4 Ų70.454%0.54333%0.327SS..Hα-helixtrans-59.5-52.8179.6-173.8-177.8174.7-172.30111.5E397 R398 S403 H404 E405E397-K401 PolarHBondContact O-N 3.37Å; R398-K401 PolarHBondContact O-N 2.86Å; K401-S403 VanDerWaalsContact C-N 3.32Å; K401-S403 PolarHBondContact O-N 3.1Å; K401-H404 PolarHBondContact O-N 3.04Å; K401-E405 WeakPolarHBondContact CE-OE1 3.45Å; K401-E405 WeakPolarHBondContact O-CG 3.36Å; K401-E405 PolarHBondContact O-N 3.26Å
402H97Very high95.8Very high26 Ų2672.9 Ų72.912%0.1234%0.339CS..Hα-helixtrans-62.3-39178.8-70.2-54.2000112.4R398 E405 A406 L419 K422 L423 D426 F429R398-H402 PolarHBondContact O-CD2 3.24Å; R398-H402 VanDerWaalsContact O-CD2 3.26Å; R398-H402 PolarHBondContact O-N 2.87Å; H402-E405 PolarHBondContact O-N 3.08Å; H402-A406 WeakPolarHBondContact O-CB 3.4Å; H402-A406 PolarHBondContact O-N 3.12Å; H402-L419 HydrophobicContact CB-CD1 3.69Å; H402-K422 HydrophobicContact CB-CB 4.35Å; H402-L423 HydrophobicContact CB-CD2 4.07Å; H402-D426 IonicContact CD2-OD2 3.09Å; H402-D426 IonicContact CE1-OD2 3.55Å; H402-D426 IonicContact NE2-OD2 2.87Å; H402-D426 PolarHBondContact NE2-OD2 3.05Å; H402-F429 AromaticContact CD2-CE2 3.86Å
403S95.9Very high95.9Very high17 Ų1772.8 Ų72.812%0.11934%0.343CS..Hα-helixtrans-63.7-42.6176.9-60.30000111.7L399 R400 K401 A407L399-S403 WeakPolarHBondContact O-CB 3.29Å; L399-S403 PolarHBondContact O-N 3.43Å; L399-S403 PolarHBondContact O-OG 3.38Å; R400-S403 PolarHBondContact O-N 3.2Å; K401-S403 VanDerWaalsContact C-N 3.32Å; K401-S403 PolarHBondContact O-N 3.1Å; S403-A407 WeakPolarHBondContact O-CB 3.26Å; S403-A407 PolarHBondContact O-N 3.2Å
404H96Very high95.8Very high125 Ų12570.3 Ų70.358%0.57935%0.35SS*.Hα-helixtrans-65.6-40.7175.8-75.3172.4000112.6R400 K401 A407 A408R400-H404 PolarHBondContact O-N 3.12Å; K401-H404 PolarHBondContact O-N 3.04Å; H404-A407 PolarHBondContact O-N 3.39Å; H404-A408 VanDerWaalsContact O-CB 3.31Å; H404-A408 WeakPolarHBondContact O-CB 3.33Å; H404-A408 PolarHBondContact O-N 3.41Å
405E96.5Very high95.8Very high73 Ų7370.6 Ų70.634%0.34135%0.354SS..Hα-helixtrans-63.2-48.1176.4-71.1177.3-164.800111.5K401 H402 A407 A408 E409 K422K401-E405 WeakPolarHBondContact CE-OE1 3.45Å; K401-E405 WeakPolarHBondContact O-CG 3.36Å; K401-E405 PolarHBondContact O-N 3.26Å; H402-E405 PolarHBondContact O-N 3.08Å; E405-A407 PolarHBondContact O-N 3.1Å; E405-A408 PolarHBondContact O-N 2.84Å; E405-E409 WeakPolarHBondContact O-CG 3.48Å; E405-E409 PolarHBondContact O-N 3.17Å; E405-K422 HydrophobicContact CB-CD 4.19Å; E405-K422 IonicContact OE2-NZ 3.28Å
406A96.3Very high95.7Very high0 Ų079.6 Ų79.60%039%0.393CS..Hα-helixtrans-62.1-42.5176.300000111.7F374 H402 A408 E409 I410 L419F374-A406 HydrophobicContact CE1-CB 4.14Å; F374-A406 HydrophobicContact CZ-CB 4.17Å; H402-A406 WeakPolarHBondContact O-CB 3.4Å; H402-A406 PolarHBondContact O-N 3.12Å; A406-A408 VanDerWaalsContact C-N 3.32Å; A406-A408 PolarHBondContact O-N 2.91Å; A406-E409 PolarHBondContact O-N 3.29Å; A406-I410 WeakPolarHBondContact O-CG1 3.33Å; A406-I410 PolarHBondContact O-N 3.11Å; A406-L419 HydrophobicContact CB-CB 3.79Å
407A95Very high95.6Very high23 Ų2377.5 Ų77.519%0.1938%0.384CS..Hα-helixtrans-63.5-37.3175.800000112.4F374 S403 H404 E405 I410 K411F374-A407 HydrophobicContact CE1-CB 4.41Å; F374-A407 HydrophobicContact CZ-CB 4.12Å; S403-A407 WeakPolarHBondContact O-CB 3.26Å; S403-A407 PolarHBondContact O-N 3.2Å; H404-A407 PolarHBondContact O-N 3.39Å; E405-A407 PolarHBondContact O-N 3.1Å; A407-I410 PolarHBondContact O-N 3.09Å; A407-K411 WeakPolarHBondContact O-CB 3.44Å; A407-K411 VanDerWaalsContact O-CG 3.31Å; A407-K411 WeakPolarHBondContact O-CG 3.24Å; A407-K411 PolarHBondContact O-N 3.16Å
408A96.5Very high95.6Very high39 Ų3974.6 Ų74.632%0.32237%0.373SS..Hα-helixtrans-67.2-39.3175.300000111.6H404 E405 A406 K411 L412H404-A408 VanDerWaalsContact O-CB 3.31Å; H404-A408 WeakPolarHBondContact O-CB 3.33Å; H404-A408 PolarHBondContact O-N 3.41Å; E405-A408 PolarHBondContact O-N 2.84Å; A406-A408 VanDerWaalsContact C-N 3.32Å; A406-A408 PolarHBondContact O-N 2.91Å; A408-K411 PolarHBondContact O-N 3.07Å; A408-L412 HydrophobicContact CB-CD1 4.22Å; A408-L412 WeakPolarHBondContact O-CA 3.41Å; A408-L412 WeakPolarHBondContact O-CB 3.41Å; A408-L412 WeakPolarHBondContact O-CG 3.44Å; A408-L412 PolarHBondContact O-N 3.35Å
409E96.4Very high95.6Very high40 Ų4071.7 Ų71.719%0.18736%0.362CS..Hα-helixtrans-61.9-43.2174.4-73.4173.2-16300112.1E405 A406 K413 G414 L415 S418 K422E405-E409 WeakPolarHBondContact O-CG 3.48Å; E405-E409 PolarHBondContact O-N 3.17Å; A406-E409 PolarHBondContact O-N 3.29Å; E409-K413 CarbonylContact O-C 3.55Å; E409-K413 WeakPolarHBondContact O-CA 3.17Å; E409-K413 VanDerWaalsContact O-CB 3.28Å; E409-K413 WeakPolarHBondContact O-CB 3.39Å; E409-K413 PolarHBondContact O-N 3.31Å; E409-K413 VanDerWaalsContact O-N 3.13Å; E409-G414 PolarHBondContact O-N 3.04Å; E409-L415 HydrophobicContact CB-CB 4.42Å; E409-L415 HydrophobicContact CB-CD1 4.24Å; E409-L415 PolarHBondContact O-N 2.91Å; E409-S418 PolarHBondContact OE2-OG 2.84Å; E409-K422 WeakPolarHBondContact OE1-CE 3.31Å; E409-K422 IonicContact OE1-NZ 3.34Å; E409-K422 PolarHBondContact OE1-NZ 3.11Å; E409-K422 IonicContact OE2-NZ 2.6Å
410I94.8Very high95.5Very high55 Ų5572.9 Ų72.928%0.28237%0.367SS..Hα-helixtrans-63.7-54.4174.7-61.2164.2000110.3F374 A406 A407 G414 L415 N417F374-I410 HydrophobicContact CE2-CD1 3.59Å; F374-I410 HydrophobicContact CZ-CD1 3.73Å; A406-I410 WeakPolarHBondContact O-CG1 3.33Å; A406-I410 PolarHBondContact O-N 3.11Å; A407-I410 PolarHBondContact O-N 3.09Å; I410-G414 VanDerWaalsContact O-CA 3.24Å; I410-G414 WeakPolarHBondContact O-CA 3.34Å; I410-G414 PolarHBondContact O-N 3.23Å; I410-L415 WeakPolarHBondContact CA-O 3.31Å; I410-L415 WeakPolarHBondContact CG1-O 3.33Å; I410-N417 HydrophobicContact CD1-CB 3.74Å; I410-N417 HydrophobicContact CG1-CB 4.46Å
411K95.1Very high95.3Very high174 Ų17472 Ų7276%0.75737%0.371SS*.Hα-helixtrans-75.3-34.9-168.9-69.2179.1179.6-178.40113.9A407 A408A407-K411 WeakPolarHBondContact O-CB 3.44Å; A407-K411 VanDerWaalsContact O-CG 3.31Å; A407-K411 WeakPolarHBondContact O-CG 3.24Å; A407-K411 PolarHBondContact O-N 3.16Å; A408-K411 PolarHBondContact O-N 3.07Å
412L96.4Very high95.3Very high146 Ų14668 Ų6876%0.76435%0.354SS*.Hα-helixtrans-97.4-22.9-175.7-56178.1000113A408A408-L412 HydrophobicContact CB-CD1 4.22Å; A408-L412 WeakPolarHBondContact O-CA 3.41Å; A408-L412 WeakPolarHBondContact O-CB 3.41Å; A408-L412 WeakPolarHBondContact O-CG 3.44Å; A408-L412 PolarHBondContact O-N 3.35Å
413K96.9Very high95.1Very high143 Ų14366.9 Ų66.962%0.62235%0.349SS*.Hα-helixtrans-122.9-6.7-174.5-51.1176.7-175.3172.10113.7E409 L415E409-K413 CarbonylContact O-C 3.55Å; E409-K413 WeakPolarHBondContact O-CA 3.17Å; E409-K413 VanDerWaalsContact O-CB 3.28Å; E409-K413 WeakPolarHBondContact O-CB 3.39Å; E409-K413 PolarHBondContact O-N 3.31Å; E409-K413 VanDerWaalsContact O-N 3.13Å; K413-L415 HydrophobicContact CB-CD1 4.01Å; K413-L415 HydrophobicContact CB-CG 3.83Å; K413-L415 HydrophobicContact CD-CD1 3.99Å; K413-L415 PolarHBondContact O-N 2.97Å
414G93.9Very high95Very high70 Ų7069.8 Ų69.872%0.72236%0.363SS*.  trans67.224.4-178.100000113.6E409 I410E409-G414 PolarHBondContact O-N 3.04Å; I410-G414 VanDerWaalsContact O-CA 3.24Å; I410-G414 WeakPolarHBondContact O-CA 3.34Å; I410-G414 PolarHBondContact O-N 3.23Å
415L94.9Very high94.9Very high89 Ų8970.5 Ų70.547%0.46637%0.371SS..  trans-82.6164.1-179.5-61.8177.3000111.6E409 I410 K413E409-L415 HydrophobicContact CB-CB 4.42Å; E409-L415 HydrophobicContact CB-CD1 4.24Å; E409-L415 PolarHBondContact O-N 2.91Å; I410-L415 WeakPolarHBondContact CA-O 3.31Å; I410-L415 WeakPolarHBondContact CG1-O 3.33Å; K413-L415 HydrophobicContact CB-CD1 4.01Å; K413-L415 HydrophobicContact CB-CG 3.83Å; K413-L415 HydrophobicContact CD-CD1 3.99Å; K413-L415 PolarHBondContact O-N 2.97Å
416K93.1Very high94.8Very high190 Ų19068.1 Ų68.183%0.82636%0.361SS*.  trans-68.6156.6171.3-67.9-174.5178.9-1780110.6S418K416-S418 PolarHBondContact O-N 2.81Å; K416-S418 VanDerWaalsContact O-N 3.1Å
417N94Very high94.6Very high33 Ų3376.7 Ų76.718%0.17639%0.394CS..  trans-63.1111.1176.6-169.8-16.1000111.2S370 F374 I410 L419S370-N417 PolarHBondContact O-ND2 3.26Å; S370-N417 VanDerWaalsContact O-ND2 3.14Å; F374-N417 VanDerWaalsContact CD2-ND2 3.28Å; F374-N417 WeakPolarHBondContact CD2-ND2 3.34Å; F374-N417 WeakPolarHBondContact CE2-ND2 3.47Å; I410-N417 HydrophobicContact CD1-CB 3.74Å; I410-N417 HydrophobicContact CG1-CB 4.46Å; N417-L419 WeakPolarHBondContact OD1-CB 3.46Å; N417-L419 PolarHBondContact OD1-N 2.86Å; N417-L419 VanDerWaalsContact OD1-N 3.11Å
418S95.1Very high94.6Very high18 Ų1877 Ų7713%0.12639%0.391CS..  trans-100.59.3-176.879.80000113.2E409 K416 M420 D421 K422E409-S418 PolarHBondContact OE2-OG 2.84Å; K416-S418 PolarHBondContact O-N 2.81Å; K416-S418 VanDerWaalsContact O-N 3.1Å; S418-M420 VanDerWaalsContact C-N 3.27Å; S418-M420 PolarHBondContact O-N 2.92Å; S418-D421 PolarHBondContact O-N 3.43Å; S418-K422 PolarHBondContact O-N 3.41Å; S418-K422 VanDerWaalsContact OG-CE 3.31Å; S418-K422 WeakPolarHBondContact OG-CE 3.09Å
419L95.5Very high94.5Very high0 Ų075.2 Ų75.20%038%0.376CS..Hα-helixtrans-57.4-42.6-172.6175.955.8000111.3P373 F374 V377 H402 A406 N417 D421 K422 L423P373-L419 HydrophobicContact CB-CB 3.95Å; P373-L419 HydrophobicContact CB-CD2 4.23Å; P373-L419 HydrophobicContact CB-CG 4.39Å; P373-L419 WeakPolarHBondContact O-CD2 3.3Å; F374-L419 HydrophobicContact CD1-CD2 3.54Å; F374-L419 HydrophobicContact CE1-CB 4.38Å; F374-L419 HydrophobicContact CE1-CD2 3.86Å; F374-L419 HydrophobicContact CG-CD2 4.45Å; V377-L419 HydrophobicContact CG2-CD2 3.89Å; H402-L419 HydrophobicContact CB-CD1 3.69Å; A406-L419 HydrophobicContact CB-CB 3.79Å; N417-L419 WeakPolarHBondContact OD1-CB 3.46Å; N417-L419 PolarHBondContact OD1-N 2.86Å; N417-L419 VanDerWaalsContact OD1-N 3.11Å; L419-D421 PolarHBondContact O-N 3.17Å; L419-K422 PolarHBondContact O-N 2.92Å; L419-L423 HydrophobicContact CD1-CD1 4.14Å; L419-L423 HydrophobicContact CD1-CD2 4.27Å; L419-L423 HydrophobicContact CD1-CG 3.99Å; L419-L423 HydrophobicContact CG-CD1 4.15Å; L419-L423 HydrophobicContact CG-CG 4.4Å; L419-L423 WeakPolarHBondContact O-CG 3.3Å; L419-L423 PolarHBondContact O-N 3.48Å
420M93.1Very high94.3Very high26 Ų2675.8 Ų75.813%0.12839%0.387CS..Hα-helixtrans-63.5-40.5179.2-70.5-44.9-52.300113.1P373 I380 S418 K422 L423 L424 L436 L440P373-M420 HydrophobicContact CB-CG 3.97Å; P373-M420 HydrophobicContact CB-SD 4.34Å; P373-M420 HydrophobicContact CG-CG 4.06Å; I380-M420 HydrophobicContact CD1-SD 4.43Å; S418-M420 VanDerWaalsContact C-N 3.27Å; S418-M420 PolarHBondContact O-N 2.92Å; M420-K422 VanDerWaalsContact C-N 3.29Å; M420-K422 PolarHBondContact O-N 3.46Å; M420-L423 PolarHBondContact O-N 3.45Å; M420-L423 HydrophobicContact SD-CD1 4.29Å; M420-L424 WeakPolarHBondContact O-CB 3.41Å; M420-L424 WeakPolarHBondContact O-CG 3.42Å; M420-L424 PolarHBondContact O-N 3.05Å; M420-L436 HydrophobicContact CE-CD1 4.01Å; M420-L436 HydrophobicContact CE-CD2 3.88Å; M420-L436 HydrophobicContact CE-CG 4.48Å; M420-L440 HydrophobicContact CE-CD1 4.06Å; M420-L440 HydrophobicContact CE-CD2 4.33Å; M420-L440 HydrophobicContact CE-CG 4.47Å; M420-L440 HydrophobicContact CG-CD1 4.45Å; M420-L440 HydrophobicContact CG-CD2 4.16Å; M420-L440 HydrophobicContact SD-CD1 4.45Å; M420-L440 HydrophobicContact SD-CD2 3.78Å
421D93.6Very high94.2Very high99 Ų9976.5 Ų76.553%0.52940%0.395SS..Hα-helixtrans-62.8-40.1176.3-59.6-33.9000110.8S418 L419 N425S418-D421 PolarHBondContact O-N 3.43Å; L419-D421 PolarHBondContact O-N 3.17Å; D421-N425 WeakPolarHBondContact O-CB 3.28Å; D421-N425 PolarHBondContact O-N 2.92Å; D421-N425 VanDerWaalsContact O-N 3.16Å; D421-N425 PolarHBondContact O-ND2 2.85Å
422K94.3Very high94.1Very high41 Ų4168.2 Ų68.218%0.17836%0.359CS..Hα-helixtrans-63.7-43.3176.4-67.2-176.9-173.2-64.80111.6H402 E405 E409 S418 L419 M420 N425 D426H402-K422 HydrophobicContact CB-CB 4.35Å; E405-K422 HydrophobicContact CB-CD 4.19Å; E405-K422 IonicContact OE2-NZ 3.28Å; E409-K422 WeakPolarHBondContact OE1-CE 3.31Å; E409-K422 IonicContact OE1-NZ 3.34Å; E409-K422 PolarHBondContact OE1-NZ 3.11Å; E409-K422 IonicContact OE2-NZ 2.6Å; S418-K422 PolarHBondContact O-N 3.41Å; S418-K422 VanDerWaalsContact OG-CE 3.31Å; S418-K422 WeakPolarHBondContact OG-CE 3.09Å; L419-K422 PolarHBondContact O-N 2.92Å; M420-K422 VanDerWaalsContact C-N 3.29Å; M420-K422 PolarHBondContact O-N 3.46Å; K422-N425 PolarHBondContact O-N 3.25Å; K422-D426 PolarHBondContact O-N 3.31Å; K422-D426 VanDerWaalsContact O-N 3.16Å
423L93.5Very high93.9Very high3 Ų364.1 Ų64.12%0.01634%0.336CS..Hα-helixtrans-67.4-40.3179-62.8179.8000112.2I380 L399 H402 L419 M420 N425 D426 F429I380-L423 HydrophobicContact CD1-CD1 3.64Å; L399-L423 HydrophobicContact CD2-CD1 4.01Å; L399-L423 HydrophobicContact CD2-CD2 3.79Å; H402-L423 HydrophobicContact CB-CD2 4.07Å; L419-L423 HydrophobicContact CD1-CD1 4.14Å; L419-L423 HydrophobicContact CD1-CD2 4.27Å; L419-L423 HydrophobicContact CD1-CG 3.99Å; L419-L423 HydrophobicContact CG-CD1 4.15Å; L419-L423 HydrophobicContact CG-CG 4.4Å; L419-L423 WeakPolarHBondContact O-CG 3.3Å; L419-L423 PolarHBondContact O-N 3.48Å; M420-L423 PolarHBondContact O-N 3.45Å; M420-L423 HydrophobicContact SD-CD1 4.29Å; L423-N425 VanDerWaalsContact C-N 3.26Å; L423-N425 PolarHBondContact O-N 3.26Å; L423-D426 PolarHBondContact O-N 3.36Å; L423-F429 HydrophobicContact CB-CD2 4.33Å; L423-F429 HydrophobicContact CD2-CD2 3.78Å; L423-F429 HydrophobicContact CD2-CE1 4.24Å; L423-F429 HydrophobicContact CD2-CE2 3.43Å; L423-F429 VanDerWaalsContact CD2-CE2 3.43Å; L423-F429 HydrophobicContact CD2-CG 4.33Å; L423-F429 HydrophobicContact CD2-CZ 3.68Å
424L93.2Very high93.6Very high79 Ų7962.1 Ų62.141%0.41434%0.34SS..Hα-helixtrans-64.6-28.9176.6-76.9169.3000113.3M420 H433 L436M420-L424 WeakPolarHBondContact O-CB 3.41Å; M420-L424 WeakPolarHBondContact O-CG 3.42Å; M420-L424 PolarHBondContact O-N 3.05Å; L424-H433 PolarHBondContact O-CE1 2.97Å; L424-H433 VanDerWaalsContact O-CE1 3.23Å; L424-L436 HydrophobicContact CD2-CD1 3.47Å; L424-L436 VanDerWaalsContact CD2-CD1 3.47Å; L424-L436 HydrophobicContact CG-CD1 4.17Å
425N94.6Very high93.5Very high140 Ų14061.2 Ų61.275%0.74932%0.319SS*.Hα-helixtrans-89.9-11.1179.1-71.8-52.1000113.6D421 K422 L423D421-N425 WeakPolarHBondContact O-CB 3.28Å; D421-N425 PolarHBondContact O-N 2.92Å; D421-N425 VanDerWaalsContact O-N 3.16Å; D421-N425 PolarHBondContact O-ND2 2.85Å; K422-N425 PolarHBondContact O-N 3.25Å; L423-N425 VanDerWaalsContact C-N 3.26Å; L423-N425 PolarHBondContact O-N 3.26Å
426D94Very high93.1Very high22 Ų2257.6 Ų57.612%0.11830%0.3CS..SBendtrans-91.9108.5173.5-178.9-8.4000109.5R398 H402 K422 L423 Y428 F429R398-D426 IonicContact NH1-OD1 2.87Å; R398-D426 PolarHBondContact NH1-OD1 3.21Å; R398-D426 IonicContact NH1-OD2 2.89Å; H402-D426 IonicContact CD2-OD2 3.09Å; H402-D426 IonicContact CE1-OD2 3.55Å; H402-D426 IonicContact NE2-OD2 2.87Å; H402-D426 PolarHBondContact NE2-OD2 3.05Å; K422-D426 PolarHBondContact O-N 3.31Å; K422-D426 VanDerWaalsContact O-N 3.16Å; L423-D426 PolarHBondContact O-N 3.36Å; D426-Y428 PolarHBondContact O-N 2.92Å; D426-Y428 WeakPolarHBondContact OD1-CB 3.41Å; D426-Y428 PolarHBondContact OD1-N 3.42Å; D426-F429 HydrophobicContact CB-CD2 3.87Å; D426-F429 HydrophobicContact CB-CE2 4.17Å; D426-F429 PolarHBondContact O-N 3.1Å
427Y93.1Very high92.9Very high181 Ų18153 Ų5371%0.7129%0.289SS*.G310 helixtrans-53.7-21.3-177.378.8-88.5000113.7F429 A430Y427-F429 PolarHBondContact O-N 3.22Å; Y427-A430 WeakPolarHBondContact O-CB 3.47Å; Y427-A430 PolarHBondContact O-N 3.02Å
428Y94.2Very high92.7Very high29 Ų2954.8 Ų54.811%0.11430%0.301CS..G310 helixtrans-58.3-35.4174.6-176.4-94.5000112.7M384 N391 E394 C395 R398 D426 A430 P431M384-Y428 HydrophobicContact CE-CD1 3.78Å; M384-Y428 HydrophobicContact CE-CE1 3.61Å; M384-Y428 WeakPolarHBondContact CE-O 3.12Å; N391-Y428 PolarHBondContact O-OH 3.37Å; E394-Y428 HydrophobicContact CG-CE2 4.15Å; E394-Y428 WeakPolarHBondContact OE1-CE2 3.48Å; C395-Y428 WeakPolarHBondContact CA-OH 3.48Å; C395-Y428 HydrophobicContact CB-CE1 3.83Å; C395-Y428 WeakPolarHBondContact CB-OH 3.33Å; C395-Y428 PolarHBondContact N-OH 3.19Å; R398-Y428 VanDerWaalsContact CD-CG 3.46Å; R398-Y428 VanDerWaalsContact CZ-CD2 3.44Å; R398-Y428 VanDerWaalsContact NH1-CB 3.34Å; D426-Y428 PolarHBondContact O-N 2.92Å; D426-Y428 WeakPolarHBondContact OD1-CB 3.41Å; D426-Y428 PolarHBondContact OD1-N 3.42Å; Y428-A430 VanDerWaalsContact C-N 3.35Å; Y428-P431 WeakPolarHBondContact O-CD 3.44Å
429F94.3Very high92.5Very high2 Ų254 Ų541%0.00930%0.296CS..G310 helixtrans-88.7-0.3-179-58.5-78.3000113.6I380 M384 R398 L399 H402 L423 D426 Y427 P431 I432 H433I380-F429 HydrophobicContact CG2-CD1 4.22Å; I380-F429 HydrophobicContact CG2-CE1 4.33Å; M384-F429 HydrophobicContact CE-CD1 4.31Å; M384-F429 HydrophobicContact CG-CD1 4Å; M384-F429 HydrophobicContact CG-CE1 4.45Å; M384-F429 HydrophobicContact SD-CD1 4.14Å; R398-F429 HydrophobicContact CB-CE2 4.31Å; R398-F429 HydrophobicContact CB-CZ 3.9Å; L399-F429 HydrophobicContact CD1-CE1 4.46Å; L399-F429 HydrophobicContact CD2-CE1 3.64Å; L399-F429 HydrophobicContact CD2-CZ 3.82Å; L399-F429 HydrophobicContact CG-CE1 3.78Å; L399-F429 HydrophobicContact CG-CZ 3.89Å; H402-F429 AromaticContact CD2-CE2 3.86Å; L423-F429 HydrophobicContact CB-CD2 4.33Å; L423-F429 HydrophobicContact CD2-CD2 3.78Å; L423-F429 HydrophobicContact CD2-CE1 4.24Å; L423-F429 HydrophobicContact CD2-CE2 3.43Å; L423-F429 VanDerWaalsContact CD2-CE2 3.43Å; L423-F429 HydrophobicContact CD2-CG 4.33Å; L423-F429 HydrophobicContact CD2-CZ 3.68Å; D426-F429 HydrophobicContact CB-CD2 3.87Å; D426-F429 HydrophobicContact CB-CE2 4.17Å; D426-F429 PolarHBondContact O-N 3.1Å; Y427-F429 PolarHBondContact O-N 3.22Å; F429-P431 VanDerWaalsContact C-N 3.29Å; F429-P431 VanDerWaalsContact O-N 3.12Å; F429-I432 WeakPolarHBondContact O-CG1 3.43Å; F429-I432 PolarHBondContact O-N 3.36Å; F429-I432 VanDerWaalsContact O-N 3.09Å; F429-H433 VanDerWaalsContact C-CD2 3.49Å; F429-H433 PolarHBondContact O-CD2 3.28Å; F429-H433 PolarHBondContact O-NE2 3.18Å
430A93Very high92.3Very high51 Ų5156.4 Ų56.442%0.42131%0.308SS..G310 helixtrans-48.9-38.7178.900000115Y427 Y428 I432 H433Y427-A430 WeakPolarHBondContact O-CB 3.47Å; Y427-A430 PolarHBondContact O-N 3.02Å; Y428-A430 VanDerWaalsContact C-N 3.35Å; A430-I432 PolarHBondContact O-N 3.42Å; A430-I432 VanDerWaalsContact O-N 3.13Å; A430-H433 PolarHBondContact N-NE2 3.34Å; A430-H433 PolarHBondContact O-N 2.95Å
431P93.6Very high92.3Very high70 Ų7057.9 Ų57.946%0.45532%0.317SS..G310 helixtrans-59.3-25.8-179.4-27.136.8000115.1Y428 F429Y428-P431 WeakPolarHBondContact O-CD 3.44Å; F429-P431 VanDerWaalsContact C-N 3.29Å; F429-P431 VanDerWaalsContact O-N 3.12Å
432I91.9Very high92.3Very high1 Ų154.3 Ų54.31%0.00530%0.299CS..G310 helixtrans-105.12.1-178.164.4156.7000113.3I380 K383 M384 F429 A430 S434 L435 L436I380-I432 HydrophobicContact CB-CD1 4.36Å; I380-I432 HydrophobicContact CG1-CD1 4.4Å; I380-I432 HydrophobicContact CG2-CD1 3.62Å; K383-I432 HydrophobicContact CB-CG2 4.19Å; M384-I432 HydrophobicContact CG-CD1 3.96Å; M384-I432 HydrophobicContact CG-CG1 4.27Å; M384-I432 HydrophobicContact CG-CG2 4.12Å; M384-I432 HydrophobicContact SD-CB 4.19Å; M384-I432 HydrophobicContact SD-CD1 4.05Å; M384-I432 HydrophobicContact SD-CG1 3.68Å; M384-I432 HydrophobicContact SD-CG2 3.54Å; M384-I432 VanDerWaalsContact SD-CG2 3.54Å; F429-I432 WeakPolarHBondContact O-CG1 3.43Å; F429-I432 PolarHBondContact O-N 3.36Å; F429-I432 VanDerWaalsContact O-N 3.09Å; A430-I432 PolarHBondContact O-N 3.42Å; A430-I432 VanDerWaalsContact O-N 3.13Å; I432-S434 PolarHBondContact O-N 2.94Å; I432-L435 HydrophobicContact CG2-CD1 4.47Å; I432-L435 CarbonylContact O-C 3.6Å; I432-L435 WeakPolarHBondContact O-CA 3.3Å; I432-L435 WeakPolarHBondContact O-CB 3.18Å; I432-L435 PolarHBondContact O-N 3.06Å; I432-L436 HydrophobicContact CD1-CD2 4.02Å; I432-L436 PolarHBondContact O-N 3.28Å; I432-L436 VanDerWaalsContact O-N 3.14Å
433H91.6Very high92.3Very high60 Ų6054.9 Ų54.928%0.27831%0.308SS..G310 helixtrans-55-39.8-175.7-76.6-172.4000112.5L424 F429 A430 L435 L436L424-H433 PolarHBondContact O-CE1 2.97Å; L424-H433 VanDerWaalsContact O-CE1 3.23Å; F429-H433 VanDerWaalsContact C-CD2 3.49Å; F429-H433 PolarHBondContact O-CD2 3.28Å; F429-H433 PolarHBondContact O-NE2 3.18Å; A430-H433 PolarHBondContact N-NE2 3.34Å; A430-H433 PolarHBondContact O-N 2.95Å; H433-L435 PolarHBondContact O-N 3.43Å; H433-L436 WeakPolarHBondContact O-CB 3.35Å; H433-L436 PolarHBondContact O-N 3.45Å
434S91.6Very high92.2Very high101 Ų10161.6 Ų61.671%0.70633%0.334SS*.G310 helixtrans-67.2-22.6176.356.70000113.7I432I432-S434 PolarHBondContact O-N 2.94Å
435L90.5Very high92.2Very high51 Ų5158.9 Ų58.927%0.26732%0.32SS..G310 helixtrans-91.9-12.7-179.9-55.6178.5000112.7K383 E387 I432 H433 P437 T438 V439K383-L435 HydrophobicContact CD-CD1 4.29Å; E387-L435 HydrophobicContact CB-CD1 4.14Å; E387-L435 HydrophobicContact CG-CD1 3.78Å; I432-L435 HydrophobicContact CG2-CD1 4.47Å; I432-L435 CarbonylContact O-C 3.6Å; I432-L435 WeakPolarHBondContact O-CA 3.3Å; I432-L435 WeakPolarHBondContact O-CB 3.18Å; I432-L435 PolarHBondContact O-N 3.06Å; H433-L435 PolarHBondContact O-N 3.43Å; L435-P437 VanDerWaalsContact C-CD 3.43Å; L435-P437 VanDerWaalsContact C-N 3.34Å; L435-T438 PolarHBondContact O-N 3.31Å; L435-V439 HydrophobicContact CB-CG2 4.49Å; L435-V439 WeakPolarHBondContact O-CG2 3.29Å; L435-V439 PolarHBondContact O-N 3.43Å
436L88.5Confident92.2Very high13 Ų1353.4 Ų53.47%0.06829%0.29CS..Hα-helixtrans-54.6-39.1-177.5-72.6177.7000114I380 M420 L424 I432 H433 T438 V439 L440I380-L436 HydrophobicContact CD1-CD2 4.47Å; M420-L436 HydrophobicContact CE-CD1 4.01Å; M420-L436 HydrophobicContact CE-CD2 3.88Å; M420-L436 HydrophobicContact CE-CG 4.48Å; L424-L436 HydrophobicContact CD2-CD1 3.47Å; L424-L436 VanDerWaalsContact CD2-CD1 3.47Å; L424-L436 HydrophobicContact CG-CD1 4.17Å; I432-L436 HydrophobicContact CD1-CD2 4.02Å; I432-L436 PolarHBondContact O-N 3.28Å; I432-L436 VanDerWaalsContact O-N 3.14Å; H433-L436 WeakPolarHBondContact O-CB 3.35Å; H433-L436 PolarHBondContact O-N 3.45Å; L436-T438 VanDerWaalsContact C-N 3.3Å; L436-T438 PolarHBondContact O-N 2.88Å; L436-V439 PolarHBondContact O-N 3.47Å; L436-L440 VanDerWaalsContact O-CB 3.27Å; L436-L440 WeakPolarHBondContact O-CB 3.42Å; L436-L440 WeakPolarHBondContact O-CG 3.42Å; L436-L440 PolarHBondContact O-N 3.16Å
437P88.8Confident92.3Very high94 Ų9455.4 Ų55.461%0.6132%0.316SS*.Hα-helixtrans-55.3-42.9174.7-27.636.5000113.3L435 D441L435-P437 VanDerWaalsContact C-CD 3.43Å; L435-P437 VanDerWaalsContact C-N 3.34Å; P437-D441 PolarHBondContact O-N 3.44Å; P437-D441 VanDerWaalsContact O-N 3.11Å
438T89.7Confident92.5Very high69 Ų6954.7 Ų54.742%0.42331%0.312SS..Hα-helixtrans-74.4-35177.8-50.90000112.4R379 L435 L436 L440 D441 Y444R379-T438 PolarHBondContact NH2-O 2.78Å; L435-T438 PolarHBondContact O-N 3.31Å; L436-T438 VanDerWaalsContact C-N 3.3Å; L436-T438 PolarHBondContact O-N 2.88Å; T438-L440 VanDerWaalsContact C-N 3.33Å; T438-D441 PolarHBondContact O-N 3.29Å; T438-Y444 HydrophobicContact CG2-CD2 4.17Å; T438-Y444 HydrophobicContact CG2-CE2 3.72Å
439V89.7Confident92.7Very high3 Ų353.4 Ų53.42%0.01831%0.307CS..Hα-helixtrans-68.7-35.5177.4173.30000111.4V376 R379 I380 K383 L435 L436V376-V439 HydrophobicContact CB-CG1 4.21Å; V376-V439 VanDerWaalsContact CG1-O 3.3Å; V376-V439 WeakPolarHBondContact CG1-O 3.06Å; R379-V439 HydrophobicContact CB-CG1 3.94Å; R379-V439 PolarHBondContact NH1-O 3.2Å; I380-V439 HydrophobicContact CG1-CG1 3.58Å; K383-V439 HydrophobicContact CG-CG2 4Å; L435-V439 HydrophobicContact CB-CG2 4.49Å; L435-V439 WeakPolarHBondContact O-CG2 3.29Å; L435-V439 PolarHBondContact O-N 3.43Å; L436-V439 PolarHBondContact O-N 3.47Å
440L90.9Very high92.9Very high50 Ų5054.4 Ų54.426%0.26231%0.314SS..Hα-helixtrans-82.5-14.6177.1-71.9171.6000113.6L372 V376 M420 L436 T438 P442L372-L440 VanDerWaalsContact CD2-O 3.24Å; L372-L440 WeakPolarHBondContact CD2-O 3.33Å; V376-L440 HydrophobicContact CG1-CD2 4.3Å; V376-L440 HydrophobicContact CG2-CD2 3.8Å; M420-L440 HydrophobicContact CE-CD1 4.06Å; M420-L440 HydrophobicContact CE-CD2 4.33Å; M420-L440 HydrophobicContact CE-CG 4.47Å; M420-L440 HydrophobicContact CG-CD1 4.45Å; M420-L440 HydrophobicContact CG-CD2 4.16Å; M420-L440 HydrophobicContact SD-CD1 4.45Å; M420-L440 HydrophobicContact SD-CD2 3.78Å; L436-L440 VanDerWaalsContact O-CB 3.27Å; L436-L440 WeakPolarHBondContact O-CB 3.42Å; L436-L440 WeakPolarHBondContact O-CG 3.42Å; L436-L440 PolarHBondContact O-N 3.16Å; T438-L440 VanDerWaalsContact C-N 3.33Å; L440-P442 VanDerWaalsContact O-CD 3.23Å; L440-P442 WeakPolarHBondContact O-CD 3.33Å
441D93.1Very high93.2Very high57 Ų5756.4 Ų56.431%0.30531%0.314SS..  trans-69.2115.5176.1178.7-0.6000110.2R379 P437 T438 S443 Y444R379-D441 PolarHBondContact NH1-O 3.16Å; P437-D441 PolarHBondContact O-N 3.44Å; P437-D441 VanDerWaalsContact O-N 3.11Å; T438-D441 PolarHBondContact O-N 3.29Å; D441-S443 PolarHBondContact O-N 3.11Å; D441-S443 WeakPolarHBondContact OD1-CB 3.43Å; D441-S443 PolarHBondContact OD1-N 3.44Å; D441-S443 PolarHBondContact OD1-OG 3.38Å; D441-S443 PolarHBondContact OD2-OG 2.81Å; D441-Y444 HydrophobicContact CB-CD2 3.82Å; D441-Y444 HydrophobicContact CB-CE2 4.04Å; D441-Y444 PolarHBondContact O-N 3.36Å; D441-Y444 WeakPolarHBondContact OD2-CE2 3.4Å
442P94.1Very high93.4Very high24 Ų2457.5 Ų57.516%0.15631%0.313CS..G310 helixtrans-70.9-13.8-177.731.6-36.4000112.9I147 L368 L372 L440 Y444 M445I147-P442 HydrophobicContact CD1-CB 4.43Å; I147-P442 HydrophobicContact CD1-CG 4.25Å; I147-P442 HydrophobicContact CG2-CB 4.19Å; L368-P442 HydrophobicContact CD2-CB 3.86Å; L368-P442 HydrophobicContact CD2-CG 4.11Å; L372-P442 HydrophobicContact CD1-CB 4.11Å; L440-P442 VanDerWaalsContact O-CD 3.23Å; L440-P442 WeakPolarHBondContact O-CD 3.33Å; P442-Y444 PolarHBondContact O-N 2.92Å; P442-M445 WeakPolarHBondContact O-CB 3.49Å; P442-M445 PolarHBondContact O-N 3.26Å
443S94.3Very high93.8Very high52 Ų5257.4 Ų57.436%0.36431%0.313SS..G310 helixtrans-60.4-27.3175.777.30000112.8D441 M445 I446D441-S443 PolarHBondContact O-N 3.11Å; D441-S443 WeakPolarHBondContact OD1-CB 3.43Å; D441-S443 PolarHBondContact OD1-N 3.44Å; D441-S443 PolarHBondContact OD1-OG 3.38Å; D441-S443 PolarHBondContact OD2-OG 2.81Å; S443-M445 VanDerWaalsContact C-N 3.28Å; S443-M445 PolarHBondContact O-N 2.86Å; S443-I446 WeakPolarHBondContact O-CG1 3.45Å
444Y91.6Very high94.1Very high144 Ų14457.8 Ų57.857%0.56532%0.315SS*.G310 helixtrans-84.21.4174.6-63.7-78.2000113.7T438 D441 P442T438-Y444 HydrophobicContact CG2-CD2 4.17Å; T438-Y444 HydrophobicContact CG2-CE2 3.72Å; D441-Y444 HydrophobicContact CB-CD2 3.82Å; D441-Y444 HydrophobicContact CB-CE2 4.04Å; D441-Y444 PolarHBondContact O-N 3.36Å; D441-Y444 WeakPolarHBondContact OD2-CE2 3.4Å; P442-Y444 PolarHBondContact O-N 2.92Å
445M93Very high94.4Very high22 Ų2256.8 Ų56.811%0.10830%0.304CS..G310 helixtrans-110-6.9-176.8-53.6-175.567.500113.8P159 L372 L375 V376 P442 S443 G447P159-M445 HydrophobicContact CB-CB 4.4Å; P159-M445 HydrophobicContact CG-CB 3.93Å; P159-M445 HydrophobicContact CG-CE 4.33Å; P159-M445 HydrophobicContact CG-SD 4.26Å; L372-M445 HydrophobicContact CD1-SD 3.78Å; L375-M445 HydrophobicContact CB-CE 3.84Å; L375-M445 VanDerWaalsContact O-CE 3.3Å; L375-M445 WeakPolarHBondContact O-CE 3.46Å; V376-M445 HydrophobicContact CG1-CE 4.17Å; V376-M445 HydrophobicContact CG1-SD 3.7Å; P442-M445 WeakPolarHBondContact O-CB 3.49Å; P442-M445 PolarHBondContact O-N 3.26Å; S443-M445 VanDerWaalsContact C-N 3.28Å; S443-M445 PolarHBondContact O-N 2.86Å; M445-G447 VanDerWaalsContact C-N 3.28Å; M445-G447 PolarHBondContact O-N 3.29Å
446I95.7Very high94.8Very high25 Ų2555.2 Ų55.213%0.12830%0.295CS..SBendtrans-85.20.5-178.263173000113.6I147 P159 T161 S443 R448 A449 V450I147-I446 HydrophobicContact CB-CG2 4.31Å; I147-I446 HydrophobicContact CD1-CG2 4.18Å; I147-I446 HydrophobicContact CG1-CD1 4.38Å; I147-I446 HydrophobicContact CG1-CG2 3.96Å; I147-I446 HydrophobicContact CG2-CG2 3.59Å; P159-I446 HydrophobicContact CB-CG2 4.26Å; T161-I446 HydrophobicContact CG2-CB 4.27Å; T161-I446 HydrophobicContact CG2-CD1 3.84Å; T161-I446 HydrophobicContact CG2-CG2 4.2Å; S443-I446 WeakPolarHBondContact O-CG1 3.45Å; I446-R448 PolarHBondContact O-N 2.9Å; I446-A449 HydrophobicContact CB-CB 4.21Å; I446-A449 WeakPolarHBondContact O-CB 3.35Å; I446-A449 PolarHBondContact O-N 3.42Å; I446-V450 HydrophobicContact CD1-CG2 3.91Å
447G94.7Very high95.3Very high64 Ų6454.8 Ų54.866%0.6629%0.293SS*.THydrogen-bonded Turntrans53.9-125.2-17900000111.6M445M445-G447 VanDerWaalsContact C-N 3.28Å; M445-G447 PolarHBondContact O-N 3.29Å
448R97.7Very high95.8Very high167 Ų16754.6 Ų54.663%0.6329%0.287SS*.THydrogen-bonded Turntrans-97.921.9179.3-61-175.163.8-155.3-3.5113.6I446 V450 E451 Q452I446-R448 PolarHBondContact O-N 2.9Å; R448-V450 VanDerWaalsContact C-N 3.27Å; R448-V450 PolarHBondContact O-N 2.6Å; R448-E451 WeakPolarHBondContact CA-OE2 3.34Å; R448-E451 PolarHBondContact O-N 2.93Å; R448-Q452 HydrophobicContact CB-CG 4.27Å; R448-Q452 VanDerWaalsContact O-CB 3.29Å; R448-Q452 WeakPolarHBondContact O-CB 3.23Å; R448-Q452 WeakPolarHBondContact O-CG 3.19Å; R448-Q452 PolarHBondContact O-N 2.83Å
449A98.5Very high96.2Very high2 Ų255.4 Ų55.42%0.01729%0.292CS..Hα-helixtrans-58.8-37.4-170.100000113T161 R164 I446 V453T161-A449 HydrophobicContact CG2-CB 3.85Å; R164-A449 HydrophobicContact CB-CB 4.09Å; R164-A449 HydrophobicContact CG-CB 4.25Å; I446-A449 HydrophobicContact CB-CB 4.21Å; I446-A449 WeakPolarHBondContact O-CB 3.35Å; I446-A449 PolarHBondContact O-N 3.42Å; A449-V453 VanDerWaalsContact O-CG2 3.32Å; A449-V453 WeakPolarHBondContact O-CG2 3.42Å; A449-V453 PolarHBondContact O-N 3.34Å
450V98.6Very high96.6Very high23 Ų2360 Ų6014%0.13931%0.313CS..Hα-helixtrans-68.2-50.2179.5-178.10000110.6K144 T161 I446 R448 Q452 V453 E454K144-V450 HydrophobicContact CD-CG1 4.03Å; K144-V450 HydrophobicContact CG-CG1 4.12Å; T161-V450 HydrophobicContact CG2-CG2 4.49Å; I446-V450 HydrophobicContact CD1-CG2 3.91Å; R448-V450 VanDerWaalsContact C-N 3.27Å; R448-V450 PolarHBondContact O-N 2.6Å; V450-Q452 VanDerWaalsContact C-N 3.3Å; V450-Q452 PolarHBondContact O-N 3.05Å; V450-V453 WeakPolarHBondContact O-CB 3.19Å; V450-V453 PolarHBondContact O-N 2.91Å; V450-E454 PolarHBondContact O-N 2.85Å
451E98.6Very high97Very high92 Ų9257.6 Ų57.643%0.4330%0.3SS..Hα-helixtrans-66.1-34.7-179.5-61.478-174.500111.5R448 V453 E454 V455R448-E451 WeakPolarHBondContact CA-OE2 3.34Å; R448-E451 PolarHBondContact O-N 2.93Å; E451-V453 VanDerWaalsContact C-N 3.31Å; E451-V453 PolarHBondContact O-N 2.97Å; E451-E454 PolarHBondContact O-N 3.47Å; E451-V455 WeakPolarHBondContact O-CB 3.39Å; E451-V455 VanDerWaalsContact O-CG2 3.29Å; E451-V455 WeakPolarHBondContact O-CG2 3.46Å; E451-V455 PolarHBondContact O-N 3.34Å
452Q98.8Very high97.3Very high93 Ų9358.7 Ų58.744%0.43531%0.306SS..Hα-helixtrans-60.6-40.8174.3-79.3174.7-15.400111.7R448 V450 F456R448-Q452 HydrophobicContact CB-CG 4.27Å; R448-Q452 VanDerWaalsContact O-CB 3.29Å; R448-Q452 WeakPolarHBondContact O-CB 3.23Å; R448-Q452 WeakPolarHBondContact O-CG 3.19Å; R448-Q452 PolarHBondContact O-N 2.83Å; V450-Q452 VanDerWaalsContact C-N 3.3Å; V450-Q452 PolarHBondContact O-N 3.05Å; Q452-F456 WeakPolarHBondContact O-CB 3.27Å; Q452-F456 PolarHBondContact O-N 2.94Å
453V98.9Very high97.5Very high0 Ų061.2 Ų61.20%032%0.323CS..Hα-helixtrans-62.2-52.4175.6173.20000109.9A140 K144 R164 A449 V450 E451 V455 F456 L457A140-V453 HydrophobicContact CB-CG1 4.43Å; K144-V453 HydrophobicContact CB-CB 4.1Å; K144-V453 HydrophobicContact CB-CG1 3.81Å; K144-V453 HydrophobicContact CB-CG2 4.35Å; R164-V453 HydrophobicContact CB-CG2 3.81Å; R164-V453 VanDerWaalsContact N-CG2 3.32Å; A449-V453 VanDerWaalsContact O-CG2 3.32Å; A449-V453 WeakPolarHBondContact O-CG2 3.42Å; A449-V453 PolarHBondContact O-N 3.34Å; V450-V453 WeakPolarHBondContact O-CB 3.19Å; V450-V453 PolarHBondContact O-N 2.91Å; E451-V453 VanDerWaalsContact C-N 3.31Å; E451-V453 PolarHBondContact O-N 2.97Å; V453-V455 PolarHBondContact O-N 2.89Å; V453-F456 PolarHBondContact O-N 2.89Å; V453-L457 HydrophobicContact CG1-CD1 3.86Å; V453-L457 HydrophobicContact CG1-CG 4.23Å; V453-L457 WeakPolarHBondContact O-CB 3.42Å; V453-L457 VanDerWaalsContact O-CG 3.26Å; V453-L457 WeakPolarHBondContact O-CG 3.47Å; V453-L457 PolarHBondContact O-N 3.38Å
454E98.7Very high97.7Very high68 Ų6860.1 Ų60.132%0.31832%0.317SS..Hα-helixtrans-60.7-47.5-177.2-66.818016900112.6K144 V450 E451 N458K144-E454 HydrophobicContact CD-CG 4.18Å; K144-E454 IonicContact NZ-OE1 3.5Å; K144-E454 PolarHBondContact NZ-OE1 2.95Å; V450-E454 PolarHBondContact O-N 2.85Å; E451-E454 PolarHBondContact O-N 3.47Å; E454-N458 WeakPolarHBondContact O-CB 3.4Å; E454-N458 PolarHBondContact O-N 3.09Å; E454-N458 PolarHBondContact O-ND2 3.26Å; E454-N458 VanDerWaalsContact O-ND2 3.1Å
455V98.8Very high98Very high80 Ų8053.7 Ų53.749%0.48529%0.292SS..Hα-helixtrans-60.5-52.7178.9171.70000109.8E451 V453 L457 N458 T459E451-V455 WeakPolarHBondContact O-CB 3.39Å; E451-V455 VanDerWaalsContact O-CG2 3.29Å; E451-V455 WeakPolarHBondContact O-CG2 3.46Å; E451-V455 PolarHBondContact O-N 3.34Å; V453-V455 PolarHBondContact O-N 2.89Å; V455-L457 PolarHBondContact O-N 3.26Å; V455-N458 PolarHBondContact O-N 3.08Å; V455-T459 HydrophobicContact CG1-CG2 4.27Å; V455-T459 WeakPolarHBondContact O-CB 3.02Å; V455-T459 WeakPolarHBondContact O-CG2 3.41Å; V455-T459 PolarHBondContact O-N 3.06Å; V455-T459 PolarHBondContact O-OG1 3.07Å
456F98.9Very high98.2Very high17 Ų1758.3 Ų58.38%0.07531%0.313CS..Hα-helixtrans-58.7-45-177.9174.1-109.3000112.7C167 I170 Q171 L174 Q452 V453 E460 V461C167-F456 HydrophobicContact CB-CD1 3.77Å; C167-F456 HydrophobicContact CB-CE1 3.97Å; I170-F456 HydrophobicContact CB-CE1 3.9Å; I170-F456 HydrophobicContact CB-CZ 4.28Å; I170-F456 HydrophobicContact CG2-CE1 3.73Å; I170-F456 HydrophobicContact CG2-CZ 3.94Å; Q171-F456 HydrophobicContact CB-CE2 4.35Å; Q171-F456 HydrophobicContact CB-CZ 4Å; Q171-F456 HydrophobicContact CG-CE2 4.41Å; L174-F456 HydrophobicContact CD1-CE2 3.77Å; L174-F456 HydrophobicContact CD1-CZ 3.59Å; Q452-F456 WeakPolarHBondContact O-CB 3.27Å; Q452-F456 PolarHBondContact O-N 2.94Å; V453-F456 PolarHBondContact O-N 2.89Å; F456-E460 HydrophobicContact CD2-CB 4.03Å; F456-E460 HydrophobicContact CD2-CG 4.29Å; F456-E460 HydrophobicContact CE2-CB 4.03Å; F456-E460 WeakPolarHBondContact CE2-OE2 3.36Å; F456-E460 WeakPolarHBondContact O-CB 3.43Å; F456-E460 PolarHBondContact O-N 3.14Å; F456-V461 HydrophobicContact CD1-CG2 3.98Å; F456-V461 HydrophobicContact CE1-CG2 3.51Å; F456-V461 HydrophobicContact CE2-CG2 4.45Å; F456-V461 HydrophobicContact CZ-CG2 3.79Å; F456-V461 PolarHBondContact O-N 3.23Å
457L98.8Very high98.2Very high5 Ų561 Ų613%0.02633%0.334CS..Iπ-helixtrans-64-44.5179-64.6-174.5000111.6A137 A140 M141 I170 V453 V455 V461 D462A137-L457 HydrophobicContact CB-CD2 3.85Å; A140-L457 HydrophobicContact CB-CD1 4.32Å; M141-L457 HydrophobicContact CB-CD1 3.88Å; M141-L457 HydrophobicContact CE-CD1 4.26Å; I170-L457 HydrophobicContact CD1-CD2 4.08Å; V453-L457 HydrophobicContact CG1-CD1 3.86Å; V453-L457 HydrophobicContact CG1-CG 4.23Å; V453-L457 WeakPolarHBondContact O-CB 3.42Å; V453-L457 VanDerWaalsContact O-CG 3.26Å; V453-L457 WeakPolarHBondContact O-CG 3.47Å; V453-L457 PolarHBondContact O-N 3.38Å; V455-L457 PolarHBondContact O-N 3.26Å; L457-V461 HydrophobicContact CD2-CB 4.19Å; L457-V461 HydrophobicContact CD2-CG1 4.48Å; L457-V461 HydrophobicContact CD2-CG2 3.8Å; L457-V461 WeakPolarHBondContact O-CB 3.28Å; L457-V461 PolarHBondContact O-N 3.28Å; L457-D462 PolarHBondContact O-N 3.32Å
458N98.6Very high98.4Very high90 Ų9059.1 Ų59.148%0.48131%0.307SS..Iπ-helixtrans-74-35.6-176.7-67.2-25000113.5E454 V455E454-N458 WeakPolarHBondContact O-CB 3.4Å; E454-N458 PolarHBondContact O-N 3.09Å; E454-N458 PolarHBondContact O-ND2 3.26Å; E454-N458 VanDerWaalsContact O-ND2 3.1Å; V455-N458 PolarHBondContact O-N 3.08Å
459T98.5Very high98.3Very high85 Ų8556.8 Ų56.852%0.52130%0.302SS..Iπ-helixtrans-98.6-24-17164.10000114.3V455V455-T459 HydrophobicContact CG1-CG2 4.27Å; V455-T459 WeakPolarHBondContact O-CB 3.02Å; V455-T459 WeakPolarHBondContact O-CG2 3.41Å; V455-T459 PolarHBondContact O-N 3.06Å; V455-T459 PolarHBondContact O-OG1 3.07Å
460E98.6Very high98.1Very high100 Ų10063.7 Ų63.747%0.46734%0.339SS..Iπ-helixtrans-118.3-48.3-177.5-63-173.5-147.200112L174 F456 A464L174-E460 HydrophobicContact CD1-CB 4.14Å; F456-E460 HydrophobicContact CD2-CB 4.03Å; F456-E460 HydrophobicContact CD2-CG 4.29Å; F456-E460 HydrophobicContact CE2-CB 4.03Å; F456-E460 WeakPolarHBondContact CE2-OE2 3.36Å; F456-E460 WeakPolarHBondContact O-CB 3.43Å; F456-E460 PolarHBondContact O-N 3.14Å; E460-A464 VanDerWaalsContact O-CB 3.25Å; E460-A464 WeakPolarHBondContact O-CB 3.43Å; E460-A464 PolarHBondContact O-N 2.87Å
461V98.7Very high97.9Very high0 Ų064 Ų640%034%0.342CS..Iπ-helixtrans-72.6-57.4-174.2177.90000112.5I133 A137 I170 L174 F456 L457 A464 I465I133-V461 HydrophobicContact CG2-CG1 3.45Å; I133-V461 VanDerWaalsContact CG2-CG1 3.45Å; A137-V461 HydrophobicContact CB-CG1 4.07Å; I170-V461 HydrophobicContact CG2-CG1 4.48Å; I170-V461 HydrophobicContact CG2-CG2 3.54Å; L174-V461 HydrophobicContact CD1-CG2 4.01Å; F456-V461 HydrophobicContact CD1-CG2 3.98Å; F456-V461 HydrophobicContact CE1-CG2 3.51Å; F456-V461 HydrophobicContact CE2-CG2 4.45Å; F456-V461 HydrophobicContact CZ-CG2 3.79Å; F456-V461 PolarHBondContact O-N 3.23Å; L457-V461 HydrophobicContact CD2-CB 4.19Å; L457-V461 HydrophobicContact CD2-CG1 4.48Å; L457-V461 HydrophobicContact CD2-CG2 3.8Å; L457-V461 WeakPolarHBondContact O-CB 3.28Å; L457-V461 PolarHBondContact O-N 3.28Å; V461-A464 PolarHBondContact O-N 3.19Å; V461-I465 HydrophobicContact CG1-CD1 4.29Å; V461-I465 WeakPolarHBondContact O-CG1 3.18Å; V461-I465 PolarHBondContact O-N 3.32Å
462D98.4Very high97.7Very high80 Ų8060.8 Ų60.843%0.42833%0.327SS..Hα-helixtrans-57.7-43.5-175-75.2-12.3000112.3L457 H466L457-D462 PolarHBondContact O-N 3.32Å; D462-H466 WeakPolarHBondContact O-CB 3.46Å; D462-H466 PolarHBondContact O-N 3.46Å; D462-H466 VanDerWaalsContact O-N 3.16Å
463P98.4Very high97.4Very high77 Ų7760.6 Ų60.650%0.534%0.342SS..Hα-helixtrans-61.8-43173.2-2536.5000113.3I465 H466P463-I465 PolarHBondContact O-N 3.34Å; P463-H466 WeakPolarHBondContact O-CB 3.33Å; P463-H466 PolarHBondContact O-N 3.45Å
464A98.2Very high97.1Very high29 Ų2965.6 Ų65.624%0.2437%0.368CS..Hα-helixtrans-65.4-36.6-176.400000112.8L174 L177 E460 V461L174-A464 HydrophobicContact CD2-CB 3.56Å; L177-A464 HydrophobicContact CD2-CB 4.35Å; E460-A464 VanDerWaalsContact O-CB 3.25Å; E460-A464 WeakPolarHBondContact O-CB 3.43Å; E460-A464 PolarHBondContact O-N 2.87Å; V461-A464 PolarHBondContact O-N 3.19Å
465I98.1Very high96.6Very high8 Ų867.9 Ų67.94%0.04138%0.382CS..Hα-helixtrans-92.9-3.8-179.869174.5000113.9A130 I133 D134 L177 V461 P463 S467 Y468 L472A130-I465 HydrophobicContact CB-CB 4.5Å; A130-I465 HydrophobicContact CB-CG2 4.21Å; I133-I465 HydrophobicContact CB-CG2 4.04Å; I133-I465 HydrophobicContact CD1-CG2 4.3Å; I133-I465 HydrophobicContact CG2-CG2 3.63Å; D134-I465 HydrophobicContact CB-CD1 3.95Å; L177-I465 HydrophobicContact CD2-CG2 4.39Å; V461-I465 HydrophobicContact CG1-CD1 4.29Å; V461-I465 WeakPolarHBondContact O-CG1 3.18Å; V461-I465 PolarHBondContact O-N 3.32Å; P463-I465 PolarHBondContact O-N 3.34Å; I465-S467 VanDerWaalsContact C-N 3.29Å; I465-S467 PolarHBondContact O-N 3.06Å; I465-Y468 WeakPolarHBondContact O-CB 3.19Å; I465-Y468 PolarHBondContact O-N 3.2Å; I465-L472 HydrophobicContact CD1-CD1 4.25Å
466H97.5Very high96.1Very high119 Ų11964.5 Ų64.555%0.55136%0.362SS*.G310 helixtrans-58.3-39.7-174.5-172.978.4000113.1D462 P463 Y468 K469D462-H466 WeakPolarHBondContact O-CB 3.46Å; D462-H466 PolarHBondContact O-N 3.46Å; D462-H466 VanDerWaalsContact O-N 3.16Å; P463-H466 WeakPolarHBondContact O-CB 3.33Å; P463-H466 PolarHBondContact O-N 3.45Å; H466-Y468 PolarHBondContact O-N 3.03Å; H466-Y468 VanDerWaalsContact O-N 3.15Å; H466-K469 WeakPolarHBondContact O-CB 3.4Å; H466-K469 PolarHBondContact O-N 3.19Å
467S96.2Very high95.3Very high83 Ų8370.1 Ų70.158%0.5839%0.393SS*.G310 helixtrans-64.3-15.7178.359.90000113.2I465I465-S467 VanDerWaalsContact C-N 3.29Å; I465-S467 PolarHBondContact O-N 3.06Å
468Y97.9Very high94.5Very high23 Ų2371.7 Ų71.79%0.0940%0.401CS..G310 helixtrans-102.33.9-178.8-60.6-79.1000113.6L126 P127 A130 L177 E181 I465 H466 D470 C471 L472L126-Y468 HydrophobicContact CB-CE1 3.81Å; P127-Y468 HydrophobicContact CG-CD1 4.35Å; A130-Y468 HydrophobicContact CB-CD1 4.24Å; A130-Y468 HydrophobicContact CB-CD2 3.69Å; A130-Y468 HydrophobicContact CB-CE2 4.43Å; A130-Y468 HydrophobicContact CB-CG 3.59Å; L177-Y468 HydrophobicContact CD1-CE2 4Å; L177-Y468 HydrophobicContact CD2-CE2 4.37Å; E181-Y468 VanDerWaalsContact OE1-CE2 3.27Å; E181-Y468 WeakPolarHBondContact OE1-CE2 3.19Å; E181-Y468 PolarHBondContact OE1-OH 2.96Å; I465-Y468 WeakPolarHBondContact O-CB 3.19Å; I465-Y468 PolarHBondContact O-N 3.2Å; H466-Y468 PolarHBondContact O-N 3.03Å; H466-Y468 VanDerWaalsContact O-N 3.15Å; Y468-D470 PolarHBondContact O-N 3.09Å; Y468-C471 PolarHBondContact O-N 3.14Å; Y468-C471 PolarHBondContact O-SG 3.19Å; Y468-L472 WeakPolarHBondContact O-CG 3.41Å; Y468-L472 PolarHBondContact O-N 2.99Å
469K95.7Very high92.9Very high118 Ų11873 Ų7351%0.51341%0.412SS..G310 helixtrans-47.2-39.1-173.367.8-173.3-179.5-174.80114.7H466 C471 L472H466-K469 WeakPolarHBondContact O-CB 3.4Å; H466-K469 PolarHBondContact O-N 3.19Å; K469-C471 PolarHBondContact O-N 2.84Å; K469-L472 PolarHBondContact O-N 2.88Å
470D95Very high91Very high148 Ų14875.5 Ų75.579%0.79142%0.421SS*.G310 helixtrans-71.6-16.6-176.6-58-36.2000113.2Y468Y468-D470 PolarHBondContact O-N 3.09Å
471C94Very high90.6Very high30 Ų3074.3 Ų74.320%0.20342%0.419CS..G310 helixtrans-112.45.2179.1700000113.8P127 R131 Y468 K469P127-C471 HydrophobicContact CB-CB 4.35Å; P127-C471 VanDerWaalsContact CB-SG 3.57Å; R131-C471 WeakPolarHBondContact CD-O 2.86Å; R131-C471 PolarHBondContact NH1-O 3.37Å; Y468-C471 PolarHBondContact O-N 3.14Å; Y468-C471 PolarHBondContact O-SG 3.19Å; K469-C471 PolarHBondContact O-N 2.84Å
472L95.5Very high90.2Very high24 Ų2478.2 Ų78.213%0.12644%0.441CS..THydrogen-bonded Turntrans-74.7-24179.4-64-176.4000113.3A130 R131 D134 R135 I465 Y468 K469 L474A130-L472 HydrophobicContact CB-CD2 4.19Å; R131-L472 HydrophobicContact CG-CD2 4.17Å; D134-L472 HydrophobicContact CB-CD1 4.4Å; D134-L472 HydrophobicContact CB-CD2 4.12Å; R135-L472 VanDerWaalsContact CZ-O 3.29Å; R135-L472 PolarHBondContact NH1-O 3.2Å; R135-L472 PolarHBondContact NH2-O 3.33Å; I465-L472 HydrophobicContact CD1-CD1 4.25Å; Y468-L472 WeakPolarHBondContact O-CG 3.41Å; Y468-L472 PolarHBondContact O-N 2.99Å; K469-L472 PolarHBondContact O-N 2.88Å; L472-L474 VanDerWaalsContact C-N 3.28Å; L472-L474 PolarHBondContact O-N 3.48Å
473A92.2Very high89.8Confident89 Ų8978.1 Ų78.174%0.73644%0.441SS*.THydrogen-bonded Turntrans-73.5-14.4-175.700000114.6
474L91.8Very high89.3Confident105 Ų10578.2 Ų78.255%0.5544%0.438SS..PPolyproline II helixtrans-71.7130.8-177.2-66.7169.2000111.7R131 R135 Q351 L472R131-L474 WeakPolarHBondContact CD-O 3.37Å; R135-L474 PolarHBondContact NH2-O 3.47Å; Q351-L474 PolarHBondContact NE2-O 2.95Å; L472-L474 VanDerWaalsContact C-N 3.28Å; L472-L474 PolarHBondContact O-N 3.48Å
475N88.8Confident88.7Confident115 Ų11581.3 Ų81.362%0.61545%0.45SS*.PPolyproline II helixtrans-88.1156.8175.2-68.5-32.7000112.3E355E355-N475 WeakPolarHBondContact OE1-CA 3.2Å
476S88.5Confident88.1Confident9 Ų986.1 Ų86.16%0.06348%0.478CS..PPolyproline II helixtrans-90.8119.5177.3-172.90000111.7T348 N352 E355T348-S476 WeakPolarHBondContact CG2-OG 3.31Å; T348-S476 PolarHBondContact O-OG 3.13Å; N352-S476 PolarHBondContact ND2-O 2.99Å; N352-S476 VanDerWaalsContact ND2-O 3.15Å; E355-S476 PolarHBondContact OE1-N 3.49Å; E355-S476 PolarHBondContact OE2-N 2.87Å
477N82.8Confident87.4Confident136 Ų13683.8 Ų83.873%0.72747%0.473SS*.PPolyproline II helixtrans-99.5123.1171.3-70.2-30.6000109.9
478I80.1Confident86.7Confident37 Ų3783.8 Ų83.819%0.1946%0.464CS..  trans-95.2110.2169.8-59.8172.5000107.3R295 L349 N352 I480R295-I478 HydrophobicContact CG-CD1 4.21Å; L349-I478 HydrophobicContact CD2-CD1 3.8Å; L349-I478 HydrophobicContact CD2-CG1 4.32Å; N352-I478 HydrophobicContact CB-CD1 3.59Å; N352-I478 HydrophobicContact CB-CG1 3.89Å; N352-I478 VanDerWaalsContact OD1-CD1 3.24Å; N352-I478 WeakPolarHBondContact OD1-CD1 3.35Å; I478-I480 HydrophobicContact CG2-CG1 4.48Å
479T65.7Low85.8Confident118 Ų11888.9 Ų88.972%0.72450%0.495SS*.  trans-94.8136.6165.140.50000109.1
480I59.4Low84.9Confident138 Ų13886.3 Ų86.371%0.70849%0.494SS*.  trans-102.20174.5-62.9-178.8000109.2I478I478-I480 HydrophobicContact CG2-CG1 4.48Å

Retrieved 480 of 480 residues in 656.6 ms (Link to these results)

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