A0A096MZ13_PAPAN Loading...

Palmitoyltransferase

AlphaFold DB , UniProt , Accession A0A096MZ13, Species PAPAN (Papio anubis, Olive baboon), Gene ZDHHC2, Length 367 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
1M38.3Very low50Low247 Ų247102.2 Ų102.2100%1.21764%0.644SS**  0112.10-76.4173.6176.500108.3
2A31.9Very low51.4Low96 Ų96103 Ų10379%0.79363%0.626SS**  trans-75.8138.1177.100000110.3S4A2-S4 PolarHBondContact O-N 3.46Å
3P44.6Very low52.8Low129 Ų129107.4 Ų107.484%0.83862%0.624SS**  trans-68.9127.8-178.528.6-32.6000109.6G5P3-G5 PolarHBondContact O-N 3.42Å
4S46Very low54.2Low80 Ų80105.1 Ų105.156%0.55962%0.616SS**  trans-73.7108.7-177.962.40000110.7A2 S8 R12A2-S4 PolarHBondContact O-N 3.46Å; S4-S8 WeakPolarHBondContact CB-OG 3.46Å; S4-R12 VanDerWaalsContact CB-NH2 3.28Å; S4-R12 PolarHBondContact OG-NH2 3.38Å
5G39.9Very low55.7Low41 Ų41106.6 Ų106.642%0.42361%0.607SS.*  trans-62165.3179.800000114.7P3 G7 S8P3-G5 PolarHBondContact O-N 3.42Å; G5-G7 VanDerWaalsContact C-N 3.28Å; G5-G7 PolarHBondContact O-N 3.47Å; G5-G7 VanDerWaalsContact O-N 3.14Å; G5-S8 VanDerWaalsContact O-CB 3.27Å; G5-S8 WeakPolarHBondContact O-CB 3.29Å; G5-S8 PolarHBondContact O-N 3.47Å; G5-S8 PolarHBondContact O-OG 3.02Å
6P50.3Low57.2Low124 Ų124110.8 Ų110.881%0.80561%0.61SS**THydrogen-bonded Turntrans-57.5-31.2-171.818.1-30.5000114.8S8 S9P6-S8 PolarHBondContact O-N 3.31Å; P6-S9 PolarHBondContact O-N 2.94Å
7G49.7Very low58.8Low58 Ų58110.2 Ų110.260%0.59861%0.61SS**Hα-helixtrans-63.7-22174.400000114.6G5 S9 R11G5-G7 VanDerWaalsContact C-N 3.28Å; G5-G7 PolarHBondContact O-N 3.47Å; G5-G7 VanDerWaalsContact O-N 3.14Å; G7-S9 VanDerWaalsContact C-N 3.35Å; G7-R11 WeakPolarHBondContact O-CB 3.42Å; G7-R11 PolarHBondContact O-N 2.94Å
8S57.9Low60.5Low36 Ų36109.3 Ų109.325%0.25260%0.603SS.*Hα-helixtrans-73.7-24.5176.5730000113.1S4 G5 P6 R12S4-S8 WeakPolarHBondContact CB-OG 3.46Å; G5-S8 VanDerWaalsContact O-CB 3.27Å; G5-S8 WeakPolarHBondContact O-CB 3.29Å; G5-S8 PolarHBondContact O-N 3.47Å; G5-S8 PolarHBondContact O-OG 3.02Å; P6-S8 PolarHBondContact O-N 3.31Å; S8-R12 VanDerWaalsContact O-CB 3.22Å; S8-R12 WeakPolarHBondContact O-CB 3.35Å; S8-R12 WeakPolarHBondContact O-CG 3.3Å; S8-R12 PolarHBondContact O-N 3.29Å; S8-R12 VanDerWaalsContact O-N 3.13Å; S8-R12 PolarHBondContact O-NE 3.42Å; S8-R12 PolarHBondContact OG-NH2 3Å
9S60.5Low62.1Low48 Ų48107.7 Ų107.734%0.33659%0.588SS.*Hα-helixtrans-79.5-43-179.1174.80000111.6P6 G7 R12 R13P6-S9 PolarHBondContact O-N 2.94Å; G7-S9 VanDerWaalsContact C-N 3.35Å; S9-R12 PolarHBondContact O-N 2.84Å; S9-R13 WeakPolarHBondContact O-CB 3.46Å; S9-R13 PolarHBondContact O-N 3.37Å; S9-R13 PolarHBondContact OG-NH2 3.05Å; S9-R13 VanDerWaalsContact OG-NH2 3.15Å
10A63Low63.8Low59 Ų59107.6 Ų107.649%0.48858%0.578SS.*Hα-helixtrans-64.7-44.8175.100000111.6R12 R13 C14A10-R12 PolarHBondContact O-N 3.21Å; A10-R13 PolarHBondContact O-N 2.79Å; A10-C14 WeakPolarHBondContact O-CB 3.33Å; A10-C14 PolarHBondContact O-N 3.48Å
11R67.9Low65.3Low206 Ų206107.2 Ų107.278%0.77758%0.575SS**Hα-helixtrans-63.1-38.7175.9-166.7174.8-177.7-179.51.1112.6G7 R15G7-R11 WeakPolarHBondContact O-CB 3.42Å; G7-R11 PolarHBondContact O-N 2.94Å; R11-R15 WeakPolarHBondContact O-CB 3.24Å; R11-R15 PolarHBondContact O-N 2.78Å
12R67.1Low68.1Low112 Ų11296.9 Ų96.942%0.42353%0.527SS..Hα-helixtrans-66.7-40.1174-80.6-178-83.7-165.71.7112.2S4 S8 S9 A10 R16S4-R12 VanDerWaalsContact CB-NH2 3.28Å; S4-R12 PolarHBondContact OG-NH2 3.38Å; S8-R12 VanDerWaalsContact O-CB 3.22Å; S8-R12 WeakPolarHBondContact O-CB 3.35Å; S8-R12 WeakPolarHBondContact O-CG 3.3Å; S8-R12 PolarHBondContact O-N 3.29Å; S8-R12 VanDerWaalsContact O-N 3.13Å; S8-R12 PolarHBondContact O-NE 3.42Å; S8-R12 PolarHBondContact OG-NH2 3Å; S9-R12 PolarHBondContact O-N 2.84Å; A10-R12 PolarHBondContact O-N 3.21Å; R12-R16 WeakPolarHBondContact O-CG 3.5Å; R12-R16 PolarHBondContact O-N 3.41Å; R12-R16 VanDerWaalsContact O-N 3.12Å
13R68.8Low71.2Confident160 Ų16092.7 Ų92.760%0.60449%0.491SS*.Hα-helixtrans-66-48.7175.7-84.4-175.1-84.5-168.3-3.2112.4S9 A10 R15 R16 V17S9-R13 WeakPolarHBondContact O-CB 3.46Å; S9-R13 PolarHBondContact O-N 3.37Å; S9-R13 PolarHBondContact OG-NH2 3.05Å; S9-R13 VanDerWaalsContact OG-NH2 3.15Å; A10-R13 PolarHBondContact O-N 2.79Å; R13-R15 VanDerWaalsContact C-N 3.31Å; R13-R15 PolarHBondContact O-N 3.15Å; R13-R16 WeakPolarHBondContact O-CB 3.44Å; R13-R16 PolarHBondContact O-N 2.87Å; R13-R16 VanDerWaalsContact O-N 3.14Å; R13-V17 PolarHBondContact O-N 3.07Å
14C73.2Confident73.7Confident75 Ų7590.1 Ų90.151%0.50747%0.473SS..Hα-helixtrans-57-45.5176-177.20000111.3A10 R16 V17 L18A10-C14 WeakPolarHBondContact O-CB 3.33Å; A10-C14 PolarHBondContact O-N 3.48Å; C14-R16 VanDerWaalsContact C-N 3.32Å; C14-R16 PolarHBondContact O-N 2.76Å; C14-V17 PolarHBondContact O-N 2.98Å; C14-V17 VanDerWaalsContact O-N 3.13Å; C14-L18 WeakPolarHBondContact O-CG 3.23Å; C14-L18 PolarHBondContact O-N 2.92Å; C14-L18 VanDerWaalsContact O-N 3.08Å
15R77.1Confident76.2Confident128 Ų12891.6 Ų91.648%0.48347%0.469SS..Hα-helixtrans-61.4-36.9177.3-159.1175.183.4-1595.3113.3R11 R13 V17 L18 Y19R11-R15 WeakPolarHBondContact O-CB 3.24Å; R11-R15 PolarHBondContact O-N 2.78Å; R13-R15 VanDerWaalsContact C-N 3.31Å; R13-R15 PolarHBondContact O-N 3.15Å; R15-V17 VanDerWaalsContact C-N 3.34Å; R15-L18 PolarHBondContact O-N 3.47Å; R15-Y19 WeakPolarHBondContact CD-OH 3.4Å; R15-Y19 HydrophobicContact CG-CE1 4.44Å; R15-Y19 HydrophobicContact CG-CE2 3.83Å; R15-Y19 PolarHBondContact NE-OH 3.33Å; R15-Y19 VanDerWaalsContact NE-OH 3.12Å; R15-Y19 WeakPolarHBondContact O-CD2 3.5Å; R15-Y19 PolarHBondContact O-N 3.03Å
16R78.6Confident78.9Confident173 Ų17390.6 Ų90.665%0.65345%0.454SS*.Hα-helixtrans-64.3-37.8175.4-75.7-179-165.7176.63.3112.4R12 R13 C14 W20R12-R16 WeakPolarHBondContact O-CG 3.5Å; R12-R16 PolarHBondContact O-N 3.41Å; R12-R16 VanDerWaalsContact O-N 3.12Å; R13-R16 WeakPolarHBondContact O-CB 3.44Å; R13-R16 PolarHBondContact O-N 2.87Å; R13-R16 VanDerWaalsContact O-N 3.14Å; C14-R16 VanDerWaalsContact C-N 3.32Å; C14-R16 PolarHBondContact O-N 2.76Å; R16-W20 VanDerWaalsContact O-CD1 3.25Å
17V84.2Confident81.1Confident102 Ų10287.7 Ų87.762%0.61843%0.434SS*.Hα-helixtrans-67.8-43.3176.81770000110.7R13 C14 R15 Y19 W20R13-V17 PolarHBondContact O-N 3.07Å; C14-V17 PolarHBondContact O-N 2.98Å; C14-V17 VanDerWaalsContact O-N 3.13Å; R15-V17 VanDerWaalsContact C-N 3.34Å; V17-Y19 PolarHBondContact O-N 3.48Å; V17-W20 WeakPolarHBondContact O-CB 3.33Å; V17-W20 PolarHBondContact O-N 3.43Å
18L90.1Very high83.4Confident93 Ų9390.4 Ų90.449%0.48743%0.434SS..Hα-helixtrans-60.3-32.4179.6-65.6176.6000113.1C14 R15 W20 I21C14-L18 WeakPolarHBondContact O-CG 3.23Å; C14-L18 PolarHBondContact O-N 2.92Å; C14-L18 VanDerWaalsContact O-N 3.08Å; R15-L18 PolarHBondContact O-N 3.47Å; L18-W20 PolarHBondContact O-N 3.47Å; L18-I21 HydrophobicContact CB-CD1 4.35Å; L18-I21 HydrophobicContact CD2-CD1 3.57Å; L18-I21 WeakPolarHBondContact O-CB 3.33Å; L18-I21 WeakPolarHBondContact O-CG1 3.43Å; L18-I21 PolarHBondContact O-N 3.43Å; L18-I21 VanDerWaalsContact O-N 3.16Å
19Y90.5Very high85.2Confident80 Ų8090.4 Ų90.431%0.31443%0.431SS..THydrogen-bonded Turntrans-68.5-15.8176.8-63.6-43.5000114.4R15 V17 P22 V145 N161R15-Y19 WeakPolarHBondContact CD-OH 3.4Å; R15-Y19 HydrophobicContact CG-CE1 4.44Å; R15-Y19 HydrophobicContact CG-CE2 3.83Å; R15-Y19 PolarHBondContact NE-OH 3.33Å; R15-Y19 VanDerWaalsContact NE-OH 3.12Å; R15-Y19 WeakPolarHBondContact O-CD2 3.5Å; R15-Y19 PolarHBondContact O-N 3.03Å; V17-Y19 PolarHBondContact O-N 3.48Å; Y19-P22 WeakPolarHBondContact O-CD 3.44Å; Y19-V145 HydrophobicContact CE1-CG1 4.49Å; Y19-V145 HydrophobicContact CE2-CG1 4.16Å; Y19-N161 VanDerWaalsContact CB-OD1 3.3Å; Y19-N161 WeakPolarHBondContact CB-OD1 3.33Å
20W95.6Very high86.9Confident104 Ų10489 Ų8939%0.39442%0.42SS..THydrogen-bonded Turntrans-83.8-12.5173.4-74.599.8000113.5R16 V17 L18 V23 V24 I74 F75 N161R16-W20 VanDerWaalsContact O-CD1 3.25Å; V17-W20 WeakPolarHBondContact O-CB 3.33Å; V17-W20 PolarHBondContact O-N 3.43Å; L18-W20 PolarHBondContact O-N 3.47Å; W20-V23 HydrophobicContact CE3-CB 3.95Å; W20-V23 HydrophobicContact CE3-CG1 3.98Å; W20-V23 HydrophobicContact CE3-CG2 4.15Å; W20-V23 HydrophobicContact CZ3-CB 4.4Å; W20-V23 HydrophobicContact CZ3-CG1 4.04Å; W20-V23 HydrophobicContact CZ3-CG2 4.39Å; W20-V23 PolarHBondContact O-N 2.95Å; W20-V23 VanDerWaalsContact O-N 3.09Å; W20-V24 WeakPolarHBondContact O-CG2 3.29Å; W20-V24 PolarHBondContact O-N 3.32Å; W20-I74 HydrophobicContact CH2-CG2 3.95Å; W20-I74 HydrophobicContact CZ3-CG2 3.94Å; W20-F75 AromaticContact CH2-CE1 3.88Å; W20-F75 HydrophobicContact CH2-CE1 3.88Å; W20-F75 HydrophobicContact CH2-CZ 4.26Å; W20-F75 HydrophobicContact CZ3-CE1 4.49Å; W20-F75 HydrophobicContact CZ3-CZ 4.43Å; W20-N161 HydrophobicContact CE3-CB 4.47Å; W20-N161 PolarHBondContact NE1-ND2 3.48Å
21I96.2Very high88.6Confident100 Ų10089.8 Ų89.851%0.51342%0.421SS..Hα-helixtrans-54.1-48-178.7-67.9171.9000112.3L18 V23 V24 F25L18-I21 HydrophobicContact CB-CD1 4.35Å; L18-I21 HydrophobicContact CD2-CD1 3.57Å; L18-I21 WeakPolarHBondContact O-CB 3.33Å; L18-I21 WeakPolarHBondContact O-CG1 3.43Å; L18-I21 PolarHBondContact O-N 3.43Å; L18-I21 VanDerWaalsContact O-N 3.16Å; I21-V23 VanDerWaalsContact C-N 3.3Å; I21-V23 PolarHBondContact O-N 2.87Å; I21-V24 PolarHBondContact O-N 3.37Å; I21-F25 WeakPolarHBondContact O-CB 3.44Å; I21-F25 PolarHBondContact O-N 3.15Å
22P97.1Very high90Very high30 Ų3082.9 Ų82.920%0.19540%0.395CS..Hα-helixtrans-62.6-36.8178.9-22.834.6000113Y19 F25 I26 P158 W159Y19-P22 WeakPolarHBondContact O-CD 3.44Å; P22-F25 PolarHBondContact O-N 3.4Å; P22-I26 WeakPolarHBondContact O-CG1 3.39Å; P22-I26 PolarHBondContact O-N 3.35Å; P22-P158 WeakPolarHBondContact CB-O 3.19Å; P22-P158 HydrophobicContact CG-CB 4.32Å; P22-W159 HydrophobicContact CB-CE3 3.97Å; P22-W159 HydrophobicContact CB-CZ3 4.39Å
23V97.4Very high91.4Very high8 Ų877.9 Ų77.95%0.04838%0.378CS..Hα-helixtrans-67.1-48177.7176.70000110.4W20 I21 F25 I26 T27 I74 N161W20-V23 HydrophobicContact CE3-CB 3.95Å; W20-V23 HydrophobicContact CE3-CG1 3.98Å; W20-V23 HydrophobicContact CE3-CG2 4.15Å; W20-V23 HydrophobicContact CZ3-CB 4.4Å; W20-V23 HydrophobicContact CZ3-CG1 4.04Å; W20-V23 HydrophobicContact CZ3-CG2 4.39Å; W20-V23 PolarHBondContact O-N 2.95Å; W20-V23 VanDerWaalsContact O-N 3.09Å; I21-V23 VanDerWaalsContact C-N 3.3Å; I21-V23 PolarHBondContact O-N 2.87Å; V23-F25 VanDerWaalsContact C-N 3.3Å; V23-F25 PolarHBondContact O-N 3.32Å; V23-I26 PolarHBondContact O-N 3.15Å; V23-T27 PolarHBondContact O-N 3.43Å; V23-T27 PolarHBondContact O-OG1 3.49Å; V23-I74 HydrophobicContact CG1-CD1 3.83Å; V23-N161 HydrophobicContact CG2-CB 3.68Å
24V97.6Very high92.8Very high76 Ų7674.1 Ų74.146%0.46136%0.364SS..Hα-helixtrans-59.1-43.1176.6172.60000110.8W20 I21 T27 L28W20-V24 WeakPolarHBondContact O-CG2 3.29Å; W20-V24 PolarHBondContact O-N 3.32Å; I21-V24 PolarHBondContact O-N 3.37Å; V24-T27 PolarHBondContact O-N 3.34Å; V24-L28 HydrophobicContact CG1-CD1 3.92Å; V24-L28 HydrophobicContact CG1-CG 4.26Å; V24-L28 WeakPolarHBondContact O-CB 3.42Å; V24-L28 VanDerWaalsContact O-CG 3.29Å; V24-L28 WeakPolarHBondContact O-CG 3.34Å; V24-L28 PolarHBondContact O-N 3.1Å
25F97.1Very high93.9Very high110 Ų11075.3 Ų75.348%0.48236%0.359SS..Hα-helixtrans-57.7-49.8176.2172.4-97.6000112.1I21 P22 V23 T27 L28 L29 W159I21-F25 WeakPolarHBondContact O-CB 3.44Å; I21-F25 PolarHBondContact O-N 3.15Å; P22-F25 PolarHBondContact O-N 3.4Å; V23-F25 VanDerWaalsContact C-N 3.3Å; V23-F25 PolarHBondContact O-N 3.32Å; F25-T27 PolarHBondContact O-N 2.89Å; F25-L28 PolarHBondContact O-N 3.21Å; F25-L29 WeakPolarHBondContact O-CB 3.44Å; F25-L29 PolarHBondContact O-N 3.07Å; F25-W159 HydrophobicContact CD1-CZ3 4.12Å; F25-W159 HydrophobicContact CE1-CZ3 4.44Å
26I96.3Very high94.8Very high20 Ų2069.2 Ų69.210%0.10334%0.336CS..Hα-helixtrans-63.1-43.3177.4-65.7-63.2000110.6P22 V23 L28 L29 L30 Y70 W159P22-I26 WeakPolarHBondContact O-CG1 3.39Å; P22-I26 PolarHBondContact O-N 3.35Å; V23-I26 PolarHBondContact O-N 3.15Å; I26-L28 PolarHBondContact O-N 2.95Å; I26-L29 PolarHBondContact O-N 3.35Å; I26-L30 HydrophobicContact CG2-CD1 3.78Å; I26-L30 HydrophobicContact CG2-CG 4.29Å; I26-L30 WeakPolarHBondContact O-CD1 3.4Å; I26-L30 WeakPolarHBondContact O-CG 3.16Å; I26-L30 PolarHBondContact O-N 2.66Å; I26-Y70 HydrophobicContact CG2-CE1 3.92Å; I26-Y70 HydrophobicContact CG2-CE2 4.39Å; I26-W159 HydrophobicContact CD1-CE3 3.95Å; I26-W159 HydrophobicContact CD1-CZ3 4.09Å; I26-W159 HydrophobicContact CG1-CE3 3.8Å; I26-W159 HydrophobicContact CG1-CZ3 4.26Å
27T97.2Very high95.6Very high63 Ų6361 Ų6139%0.38731%0.305SS..Hα-helixtrans-58.8-45176.4-58.60000112.2V23 V24 F25 L30 C31V23-T27 PolarHBondContact O-N 3.43Å; V23-T27 PolarHBondContact O-OG1 3.49Å; V24-T27 PolarHBondContact O-N 3.34Å; F25-T27 PolarHBondContact O-N 2.89Å; T27-L30 PolarHBondContact O-N 3.09Å; T27-C31 PolarHBondContact O-N 2.84Å; T27-C31 PolarHBondContact O-SG 2.88Å; T27-C31 VanDerWaalsContact O-SG 3.32Å
28L97.8Very high96.2Very high115 Ų11556.2 Ų56.260%0.60228%0.276SS*.Hα-helixtrans-64-43.1177.1-70.7173.7000111.8V24 F25 I26 L30 C31 W32V24-L28 HydrophobicContact CG1-CD1 3.92Å; V24-L28 HydrophobicContact CG1-CG 4.26Å; V24-L28 WeakPolarHBondContact O-CB 3.42Å; V24-L28 VanDerWaalsContact O-CG 3.29Å; V24-L28 WeakPolarHBondContact O-CG 3.34Å; V24-L28 PolarHBondContact O-N 3.1Å; F25-L28 PolarHBondContact O-N 3.21Å; I26-L28 PolarHBondContact O-N 2.95Å; L28-L30 VanDerWaalsContact C-N 3.26Å; L28-L30 PolarHBondContact O-N 3.45Å; L28-C31 PolarHBondContact O-N 3.03Å; L28-W32 WeakPolarHBondContact O-CB 3.31Å; L28-W32 PolarHBondContact O-N 3.31Å
29L96.4Very high96.4Very high36 Ų3654.7 Ų54.719%0.18827%0.268CS..Hα-helixtrans-59.2-39.7175.2-179.467.8000111.3F25 I26 W32 S33 F221F25-L29 WeakPolarHBondContact O-CB 3.44Å; F25-L29 PolarHBondContact O-N 3.07Å; I26-L29 PolarHBondContact O-N 3.35Å; L29-W32 HydrophobicContact CD1-CE3 3.8Å; L29-W32 HydrophobicContact CD1-CZ3 4.08Å; L29-W32 PolarHBondContact O-N 2.91Å; L29-S33 WeakPolarHBondContact O-CB 3.5Å; L29-S33 PolarHBondContact O-N 3.1Å; L29-S33 PolarHBondContact O-OG 2.95Å; L29-F221 HydrophobicContact CD2-CD2 4.39Å; L29-F221 HydrophobicContact CD2-CE2 3.47Å; L29-F221 VanDerWaalsContact CD2-CE2 3.47Å; L29-F221 HydrophobicContact CD2-CZ 3.69Å
30L96.6Very high96.5Very high19 Ų1952 Ų5210%0.09926%0.258CS..Hα-helixtrans-68.4-45.5178-68.3163.8000112.5I26 T27 L28 W32 S33 Y34 F63 F66 Y182I26-L30 HydrophobicContact CG2-CD1 3.78Å; I26-L30 HydrophobicContact CG2-CG 4.29Å; I26-L30 WeakPolarHBondContact O-CD1 3.4Å; I26-L30 WeakPolarHBondContact O-CG 3.16Å; I26-L30 PolarHBondContact O-N 2.66Å; T27-L30 PolarHBondContact O-N 3.09Å; L28-L30 VanDerWaalsContact C-N 3.26Å; L28-L30 PolarHBondContact O-N 3.45Å; L30-W32 VanDerWaalsContact C-N 3.3Å; L30-W32 PolarHBondContact O-N 3.49Å; L30-S33 WeakPolarHBondContact CA-OG 3.42Å; L30-S33 PolarHBondContact O-N 2.86Å; L30-S33 PolarHBondContact O-OG 2.85Å; L30-Y34 PolarHBondContact O-N 3.44Å; L30-F63 HydrophobicContact CB-CE2 4.5Å; L30-F66 HydrophobicContact CD1-CE1 3.31Å; L30-F66 HydrophobicContact CD1-CZ 3.65Å; L30-F66 HydrophobicContact CD2-CD1 4.05Å; L30-F66 HydrophobicContact CD2-CE1 3.11Å; L30-F66 HydrophobicContact CD2-CZ 3.47Å; L30-F66 VanDerWaalsContact CD2-CZ 3.47Å; L30-F66 HydrophobicContact CG-CE1 3.73Å; L30-F66 HydrophobicContact CG-CZ 4.08Å; L30-Y182 HydrophobicContact CD2-CE1 4.35Å
31C97.8Very high96.3Very high76 Ų7647 Ų4751%0.51424%0.239SC..Hα-helixtrans-58.4-44.5174.6-690000111.4T27 L28 Y34 Y35T27-C31 PolarHBondContact O-N 2.84Å; T27-C31 PolarHBondContact O-SG 2.88Å; T27-C31 VanDerWaalsContact O-SG 3.32Å; L28-C31 PolarHBondContact O-N 3.03Å; C31-Y34 PolarHBondContact O-N 3.49Å; C31-Y35 PolarHBondContact O-N 3.42Å; C31-Y35 VanDerWaalsContact O-N 3.09Å
32W97.4Very high96.1Very high60 Ų6042.3 Ų42.323%0.22722%0.215CC..Hα-helixtrans-63.1-43.9174.5167.184000111.9L28 L29 L30 Y34 Y35 A36 H210 F213 L214L28-W32 WeakPolarHBondContact O-CB 3.31Å; L28-W32 PolarHBondContact O-N 3.31Å; L29-W32 HydrophobicContact CD1-CE3 3.8Å; L29-W32 HydrophobicContact CD1-CZ3 4.08Å; L29-W32 PolarHBondContact O-N 2.91Å; L30-W32 VanDerWaalsContact C-N 3.3Å; L30-W32 PolarHBondContact O-N 3.49Å; W32-Y34 VanDerWaalsContact C-N 3.27Å; W32-Y34 PolarHBondContact O-N 3.38Å; W32-Y35 PolarHBondContact O-N 2.8Å; W32-A36 HydrophobicContact CH2-CB 4.39Å; W32-A36 HydrophobicContact CZ2-CB 3.91Å; W32-A36 WeakPolarHBondContact O-CB 3.16Å; W32-A36 PolarHBondContact O-N 3.42Å; W32-H210 AromaticContact CE2-ND1 3.97Å; W32-H210 AromaticContact NE1-CE1 3.6Å; W32-H210 AromaticContact NE1-ND1 3.19Å; W32-H210 PolarHBondContact NE1-ND1 3.31Å; W32-H210 VanDerWaalsContact NE1-ND1 3.19Å; W32-F213 HydrophobicContact CH2-CB 4.35Å; W32-F213 AromaticContact CH2-CD1 3.27Å; W32-F213 HydrophobicContact CH2-CD1 3.27Å; W32-F213 AromaticContact CH2-CE1 3.9Å; W32-F213 HydrophobicContact CH2-CE1 3.9Å; W32-F213 HydrophobicContact CH2-CG 4.22Å; W32-F213 HydrophobicContact CZ2-CB 4.24Å; W32-F213 AromaticContact CZ2-CD1 3.4Å; W32-F213 HydrophobicContact CZ2-CD1 3.4Å; W32-F213 VanDerWaalsContact CZ2-CD1 3.4Å; W32-F213 HydrophobicContact CZ2-CE1 4.21Å; W32-F213 HydrophobicContact CZ2-CG 4.3Å; W32-F213 AromaticContact CZ3-CD1 3.88Å; W32-F213 HydrophobicContact CZ3-CD1 3.88Å; W32-F213 HydrophobicContact CZ3-CE1 4.04Å; W32-L214 HydrophobicContact CH2-CB 3.93Å; W32-L214 HydrophobicContact CH2-CD1 3.91Å; W32-L214 HydrophobicContact CZ3-CD1 4.02Å
33S97.1Very high95.9Very high8 Ų845.3 Ų45.36%0.05623%0.228CC..Hα-helixtrans-64.3-33.5179.6740000112.3L29 L30 Y37 Y182L29-S33 WeakPolarHBondContact O-CB 3.5Å; L29-S33 PolarHBondContact O-N 3.1Å; L29-S33 PolarHBondContact O-OG 2.95Å; L30-S33 WeakPolarHBondContact CA-OG 3.42Å; L30-S33 PolarHBondContact O-N 2.86Å; L30-S33 PolarHBondContact O-OG 2.85Å; S33-Y37 VanDerWaalsContact O-CB 3.29Å; S33-Y37 WeakPolarHBondContact O-CB 3.23Å; S33-Y37 PolarHBondContact O-N 3.31Å; S33-Y182 PolarHBondContact OG-OH 3.32Å
34Y97.6Very high95.5Very high80 Ų8049.1 Ų49.131%0.31425%0.252SS..Hα-helixtrans-64.6-48.7172.8-176.5-82000111.6L30 C31 W32 A36 A38 Y59 H60 F63L30-Y34 PolarHBondContact O-N 3.44Å; C31-Y34 PolarHBondContact O-N 3.49Å; W32-Y34 VanDerWaalsContact C-N 3.27Å; W32-Y34 PolarHBondContact O-N 3.38Å; Y34-A36 PolarHBondContact O-N 3.43Å; Y34-A38 HydrophobicContact CD1-CB 4.42Å; Y34-A38 HydrophobicContact CE1-CB 4.16Å; Y34-A38 HydrophobicContact CE2-CB 4.49Å; Y34-A38 VanDerWaalsContact O-CB 3.23Å; Y34-A38 WeakPolarHBondContact O-CB 3.36Å; Y34-A38 PolarHBondContact O-N 2.84Å; Y34-Y59 WeakPolarHBondContact CA-OH 3.34Å; Y34-Y59 AromaticContact CD2-CE1 3.61Å; Y34-Y59 HydrophobicContact CD2-CE1 3.61Å; Y34-Y59 AromaticContact CE2-CE1 3.89Å; Y34-Y59 HydrophobicContact CE2-CE1 3.89Å; Y34-Y59 HydrophobicContact CG-CE1 4.44Å; Y34-H60 AromaticContact CE2-NE2 3.53Å; Y34-H60 AromaticContact CZ-NE2 3.55Å; Y34-H60 PolarHBondContact OH-NE2 2.85Å; Y34-F63 HydrophobicContact CD2-CD1 4.08Å; Y34-F63 HydrophobicContact CD2-CD2 4.39Å; Y34-F63 AromaticContact CD2-CE1 3.91Å; Y34-F63 HydrophobicContact CD2-CE1 3.91Å; Y34-F63 HydrophobicContact CD2-CE2 4.23Å; Y34-F63 HydrophobicContact CD2-CG 4.32Å; Y34-F63 AromaticContact CD2-CZ 3.98Å; Y34-F63 HydrophobicContact CD2-CZ 3.98Å; Y34-F63 HydrophobicContact CE2-CD1 4.39Å; Y34-F63 HydrophobicContact CE2-CE1 4.4Å; Y34-F63 HydrophobicContact CG-CZ 4.5Å
35Y96.6Very high95Very high100 Ų10046.4 Ų46.439%0.39224%0.236SC..Iπ-helixtrans-59.5-47174.5169.5-100.9000112.1C31 W32 I39 Q40 H210C31-Y35 PolarHBondContact O-N 3.42Å; C31-Y35 VanDerWaalsContact O-N 3.09Å; W32-Y35 PolarHBondContact O-N 2.8Å; Y35-I39 HydrophobicContact CD2-CB 4.16Å; Y35-I39 HydrophobicContact CD2-CG1 4.03Å; Y35-I39 HydrophobicContact CE2-CB 4.35Å; Y35-I39 HydrophobicContact CE2-CG2 4.36Å; Y35-I39 WeakPolarHBondContact O-CA 3.22Å; Y35-I39 VanDerWaalsContact O-CB 3.24Å; Y35-I39 WeakPolarHBondContact O-CB 3.23Å; Y35-I39 PolarHBondContact O-N 3.37Å; Y35-I39 VanDerWaalsContact O-N 3.1Å; Y35-Q40 HydrophobicContact CD1-CG 4.4Å; Y35-Q40 HydrophobicContact CE1-CG 3.83Å; Y35-Q40 PolarHBondContact O-N 3.03Å; Y35-Q40 PolarHBondContact OH-NE2 3.15Å; Y35-H210 AromaticContact CE1-CE1 3.64Å; Y35-H210 AromaticContact CE1-NE2 3.65Å
36A95.4Very high94.7Very high0 Ų041.7 Ų41.70%022%0.215CC..Iπ-helixtrans-63.2-46.7-179.200000112W32 Y34 Q40 L41 H210 L214W32-A36 HydrophobicContact CH2-CB 4.39Å; W32-A36 HydrophobicContact CZ2-CB 3.91Å; W32-A36 WeakPolarHBondContact O-CB 3.16Å; W32-A36 PolarHBondContact O-N 3.42Å; Y34-A36 PolarHBondContact O-N 3.43Å; A36-Q40 WeakPolarHBondContact O-CB 3.22Å; A36-Q40 PolarHBondContact O-N 3.34Å; A36-L41 PolarHBondContact O-N 2.95Å; A36-H210 HydrophobicContact CB-CB 4.04Å; A36-L214 HydrophobicContact CB-CD1 4.36Å; A36-L214 HydrophobicContact CB-CD2 4.06Å
37Y96.3Very high94.3Very high1 Ų149.4 Ų49.40%0.00425%0.251CS..Iπ-helixtrans-77.1-56.5-178.2-167.1-88000112.2S33 I39 L41 C42 Y59 F185 I186 T189 L214S33-Y37 VanDerWaalsContact O-CB 3.29Å; S33-Y37 WeakPolarHBondContact O-CB 3.23Å; S33-Y37 PolarHBondContact O-N 3.31Å; Y37-I39 PolarHBondContact O-N 2.9Å; Y37-L41 HydrophobicContact CD2-CD2 3.69Å; Y37-L41 HydrophobicContact CE2-CD2 3.59Å; Y37-L41 HydrophobicContact CG-CD2 4.49Å; Y37-L41 WeakPolarHBondContact O-CB 3.4Å; Y37-C42 WeakPolarHBondContact CE1-SG 3.39Å; Y37-C42 PolarHBondContact O-N 3.34Å; Y37-C42 PolarHBondContact O-SG 2.74Å; Y37-Y59 HydrophobicContact CD1-CD1 4.03Å; Y37-Y59 AromaticContact CD1-CD2 3.11Å; Y37-Y59 HydrophobicContact CD1-CD2 3.11Å; Y37-Y59 HydrophobicContact CD1-CE1 4.28Å; Y37-Y59 AromaticContact CD1-CE2 3.42Å; Y37-Y59 HydrophobicContact CD1-CE2 3.42Å; Y37-Y59 VanDerWaalsContact CD1-CE2 3.42Å; Y37-Y59 AromaticContact CD1-CG 3.46Å; Y37-Y59 HydrophobicContact CD1-CG 3.46Å; Y37-Y59 VanDerWaalsContact CD1-CG 3.46Å; Y37-Y59 HydrophobicContact CD2-CD2 4.4Å; Y37-Y59 HydrophobicContact CD2-CE2 4.39Å; Y37-Y59 HydrophobicContact CE1-CD1 4.49Å; Y37-Y59 AromaticContact CE1-CD2 3.36Å; Y37-Y59 HydrophobicContact CE1-CD2 3.36Å; Y37-Y59 HydrophobicContact CE1-CE2 4.13Å; Y37-Y59 AromaticContact CE1-CG 3.6Å; Y37-Y59 HydrophobicContact CE1-CG 3.6Å; Y37-Y59 AromaticContact CG-CD2 3.7Å; Y37-Y59 HydrophobicContact CG-CD2 3.7Å; Y37-Y59 AromaticContact CG-CE2 3.57Å; Y37-Y59 HydrophobicContact CG-CE2 3.57Å; Y37-Y59 HydrophobicContact CG-CG 4.43Å; Y37-F185 HydrophobicContact CE1-CE1 4.05Å; Y37-F185 AromaticContact CZ-CE1 3.68Å; Y37-F185 WeakPolarHBondContact OH-CE1 3.45Å; Y37-I186 HydrophobicContact CD2-CB 4.35Å; Y37-I186 HydrophobicContact CD2-CG1 3.81Å; Y37-I186 HydrophobicContact CD2-CG2 4.13Å; Y37-I186 HydrophobicContact CE2-CB 4.41Å; Y37-I186 HydrophobicContact CE2-CG1 4.07Å; Y37-I186 HydrophobicContact CE2-CG2 4.47Å; Y37-I186 HydrophobicContact CG-CG1 4.41Å; Y37-T189 VanDerWaalsContact CE2-OG1 3.24Å; Y37-T189 WeakPolarHBondContact CE2-OG1 3.25Å; Y37-T189 WeakPolarHBondContact OH-CB 3.33Å; Y37-T189 PolarHBondContact OH-OG1 3.03Å; Y37-L214 HydrophobicContact CD2-CD2 3.93Å; Y37-L214 HydrophobicContact CG-CD2 4.44Å
38A96.3Very high94.1Very high2 Ų250.9 Ų50.92%0.01726%0.256CS..Iπ-helixtrans-71.7-35.8-171.400000112.5Y34 C42 I43 L56 Y59Y34-A38 HydrophobicContact CD1-CB 4.42Å; Y34-A38 HydrophobicContact CE1-CB 4.16Å; Y34-A38 HydrophobicContact CE2-CB 4.49Å; Y34-A38 VanDerWaalsContact O-CB 3.23Å; Y34-A38 WeakPolarHBondContact O-CB 3.36Å; Y34-A38 PolarHBondContact O-N 2.84Å; A38-C42 WeakPolarHBondContact O-CB 3.29Å; A38-I43 WeakPolarHBondContact O-CD1 2.87Å; A38-I43 VanDerWaalsContact O-CG1 3.29Å; A38-I43 WeakPolarHBondContact O-CG1 3.46Å; A38-I43 PolarHBondContact O-N 2.73Å; A38-L56 HydrophobicContact CB-CD2 4.03Å; A38-Y59 HydrophobicContact CB-CE1 4.34Å
39I93.9Very high93.9Very high61 Ų6150 Ų5031%0.31326%0.256SS..Iπ-helixtrans-95.6-62.2-177-46.9-56.2000110.8Y35 Y37 I43 V44Y35-I39 HydrophobicContact CD2-CB 4.16Å; Y35-I39 HydrophobicContact CD2-CG1 4.03Å; Y35-I39 HydrophobicContact CE2-CB 4.35Å; Y35-I39 HydrophobicContact CE2-CG2 4.36Å; Y35-I39 WeakPolarHBondContact O-CA 3.22Å; Y35-I39 VanDerWaalsContact O-CB 3.24Å; Y35-I39 WeakPolarHBondContact O-CB 3.23Å; Y35-I39 PolarHBondContact O-N 3.37Å; Y35-I39 VanDerWaalsContact O-N 3.1Å; Y37-I39 PolarHBondContact O-N 2.9Å; I39-I43 HydrophobicContact CD1-CD1 3.79Å; I39-I43 WeakPolarHBondContact O-CB 3.46Å; I39-I43 PolarHBondContact O-N 3.38Å; I39-I43 VanDerWaalsContact O-N 3.15Å; I39-V44 WeakPolarHBondContact O-CG2 3.43Å; I39-V44 PolarHBondContact O-N 3.19Å
40Q92.7Very high93.8Very high22 Ų2250.3 Ų50.310%0.10327%0.268CS..Iπ-helixtrans-71.3-42.9-170.6-63.5-64.4-31.300112.8Y35 A36 V44 S45 A207 H210Y35-Q40 HydrophobicContact CD1-CG 4.4Å; Y35-Q40 HydrophobicContact CE1-CG 3.83Å; Y35-Q40 PolarHBondContact O-N 3.03Å; Y35-Q40 PolarHBondContact OH-NE2 3.15Å; A36-Q40 WeakPolarHBondContact O-CB 3.22Å; A36-Q40 PolarHBondContact O-N 3.34Å; Q40-V44 WeakPolarHBondContact O-CB 3.29Å; Q40-S45 WeakPolarHBondContact O-CB 3.06Å; Q40-S45 PolarHBondContact O-N 2.87Å; Q40-S45 PolarHBondContact O-OG 3.42Å; Q40-A207 HydrophobicContact CB-CB 4.37Å; Q40-A207 VanDerWaalsContact OE1-CA 3.3Å; Q40-A207 VanDerWaalsContact OE1-CB 3.29Å; Q40-H210 HydrophobicContact CB-CB 4.22Å; Q40-H210 HydrophobicContact CG-CB 4.22Å
41L91.5Very high93.7Very high1 Ų152 Ų521%0.00528%0.275CS..Iπ-helixtrans-77.8-65.7175-173.266.8000110.3A36 Y37 S45 M46 D190 Y193 I211A36-L41 PolarHBondContact O-N 2.95Å; Y37-L41 HydrophobicContact CD2-CD2 3.69Å; Y37-L41 HydrophobicContact CE2-CD2 3.59Å; Y37-L41 HydrophobicContact CG-CD2 4.49Å; Y37-L41 WeakPolarHBondContact O-CB 3.4Å; L41-S45 WeakPolarHBondContact O-CA 3.12Å; L41-S45 WeakPolarHBondContact O-CB 3.36Å; L41-S45 PolarHBondContact O-N 3.27Å; L41-M46 WeakPolarHBondContact O-CG 3.24Å; L41-M46 PolarHBondContact O-N 2.92Å; L41-M46 VanDerWaalsContact O-N 3.07Å; L41-D190 HydrophobicContact CD2-CB 4.17Å; L41-Y193 HydrophobicContact CD1-CD1 4.05Å; L41-Y193 HydrophobicContact CD1-CD2 3.61Å; L41-Y193 HydrophobicContact CD1-CE2 4.24Å; L41-Y193 HydrophobicContact CD1-CG 3.52Å; L41-Y193 HydrophobicContact CG-CD2 4.45Å; L41-I211 HydrophobicContact CB-CG1 4.5Å; L41-I211 HydrophobicContact CD1-CD1 3.96Å; L41-I211 HydrophobicContact CD1-CG1 4.03Å
42C93.4Very high93.5Very high0 Ų050.4 Ų50.40%026%0.26CS..Iπ-helixtrans-69.8-41.1-168.5-67.70000115.8Y37 A38 M46 Q52 L56Y37-C42 WeakPolarHBondContact CE1-SG 3.39Å; Y37-C42 PolarHBondContact O-N 3.34Å; Y37-C42 PolarHBondContact O-SG 2.74Å; A38-C42 WeakPolarHBondContact O-CB 3.29Å; C42-M46 VanDerWaalsContact CA-SD 3.57Å; C42-M46 HydrophobicContact CB-SD 3.95Å; C42-M46 WeakPolarHBondContact O-CB 3.49Å; C42-M46 VanDerWaalsContact SG-SD 3.64Å; C42-Q52 WeakPolarHBondContact O-CG 3.17Å; C42-Q52 PolarHBondContact O-NE2 2.78Å; C42-L56 HydrophobicContact CB-CD1 4.28Å; C42-L56 HydrophobicContact CB-CD2 3.66Å; C42-L56 HydrophobicContact CB-CG 3.83Å
43I91.9Very high93.5Very high94 Ų9451 Ų5148%0.48227%0.271SS..Iπ-helixtrans-89.8-39.6-176-68.3169.1000111.5A38 I39A38-I43 WeakPolarHBondContact O-CD1 2.87Å; A38-I43 VanDerWaalsContact O-CG1 3.29Å; A38-I43 WeakPolarHBondContact O-CG1 3.46Å; A38-I43 PolarHBondContact O-N 2.73Å; I39-I43 HydrophobicContact CD1-CD1 3.79Å; I39-I43 WeakPolarHBondContact O-CB 3.46Å; I39-I43 PolarHBondContact O-N 3.38Å; I39-I43 VanDerWaalsContact O-N 3.15Å
44V89.4Confident93.4Very high88 Ų8855.5 Ų55.553%0.53330%0.297SS..Iπ-helixtrans-90.3-37.4-173.3174.50000112.6I39 Q40 A207I39-V44 WeakPolarHBondContact O-CG2 3.43Å; I39-V44 PolarHBondContact O-N 3.19Å; Q40-V44 WeakPolarHBondContact O-CB 3.29Å; V44-A207 HydrophobicContact CG1-CB 4.45Å
45S86.7Confident93.4Very high18 Ų1852.3 Ų52.313%0.12629%0.286CS..Iπ-helixtrans-104.8-23.8-170.1-53.70000114.7Q40 L41Q40-S45 WeakPolarHBondContact O-CB 3.06Å; Q40-S45 PolarHBondContact O-N 2.87Å; Q40-S45 PolarHBondContact O-OG 3.42Å; L41-S45 WeakPolarHBondContact O-CA 3.12Å; L41-S45 WeakPolarHBondContact O-CB 3.36Å; L41-S45 PolarHBondContact O-N 3.27Å
46M90.1Very high93.5Very high11 Ų1149.1 Ų49.15%0.05428%0.276CS..  trans-82.2117.9177.5-56.6-175.370.600110.8L41 C42 E51 Q52 C55 Y193L41-M46 WeakPolarHBondContact O-CG 3.24Å; L41-M46 PolarHBondContact O-N 2.92Å; L41-M46 VanDerWaalsContact O-N 3.07Å; C42-M46 VanDerWaalsContact CA-SD 3.57Å; C42-M46 HydrophobicContact CB-SD 3.95Å; C42-M46 WeakPolarHBondContact O-CB 3.49Å; C42-M46 VanDerWaalsContact SG-SD 3.64Å; M46-E51 HydrophobicContact CE-CB 3.72Å; M46-E51 HydrophobicContact CE-CG 3.33Å; M46-E51 WeakPolarHBondContact CE-OE1 3.01Å; M46-Q52 HydrophobicContact CB-CB 4.36Å; M46-Q52 HydrophobicContact SD-CB 4.47Å; M46-C55 HydrophobicContact CE-CB 4.27Å; M46-C55 HydrophobicContact SD-CB 4.36Å; M46-Y193 HydrophobicContact CG-CE1 4.26Å; M46-Y193 HydrophobicContact CG-CE2 4.22Å; M46-Y193 VanDerWaalsContact CG-OH 3.29Å; M46-Y193 WeakPolarHBondContact CG-OH 3.48Å
47E88.6Confident93.6Very high182 Ų18255.4 Ų55.485%0.8531%0.307SS*.  trans-85-30.1177.7-63.3176.1177.100112.6T49E47-T49 PolarHBondContact O-N 2.72Å
48N93Very high93.7Very high94 Ų9457 Ų5750%0.50332%0.32SS..  trans-82.7110.4-178.6-175.2-20.2000111.2G50 E51 Q52N48-G50 VanDerWaalsContact C-N 3.3Å; N48-G50 PolarHBondContact O-N 2.83Å; N48-G50 PolarHBondContact OD1-N 3.43Å; N48-E51 HydrophobicContact CB-CB 3.98Å; N48-E51 PolarHBondContact O-N 3.2Å; N48-E51 PolarHBondContact OD1-N 3.25Å; N48-Q52 WeakPolarHBondContact O-CB 3.43Å; N48-Q52 PolarHBondContact O-N 2.97Å
49T94.3Very high93.7Very high96 Ų9656.9 Ų56.959%0.58932%0.32SS*.Hα-helixtrans-59.1-37.1179.8-47.20000113.3E47 Q52 V53E47-T49 PolarHBondContact O-N 2.72Å; T49-Q52 PolarHBondContact O-N 3.17Å; T49-V53 WeakPolarHBondContact O-CG2 3.33Å; T49-V53 PolarHBondContact O-N 2.92Å
50G94.3Very high94Very high43 Ų4357.8 Ų57.844%0.44332%0.322SS..Hα-helixtrans-66.1-46.1179.700000111.8N48 V53 V54N48-G50 VanDerWaalsContact C-N 3.3Å; N48-G50 PolarHBondContact O-N 2.83Å; N48-G50 PolarHBondContact OD1-N 3.43Å; G50-V53 PolarHBondContact O-N 3.43Å; G50-V54 WeakPolarHBondContact O-CG2 3.35Å; G50-V54 PolarHBondContact O-N 3.49Å; G50-V54 VanDerWaalsContact O-N 3.15Å
51E92.8Very high94.2Very high54 Ų5462.3 Ų62.325%0.25235%0.347SS..Hα-helixtrans-61.9-45.9175.3-162.1-168162.400111.1M46 N48 V53 V54 C55 Q192M46-E51 HydrophobicContact CE-CB 3.72Å; M46-E51 HydrophobicContact CE-CG 3.33Å; M46-E51 WeakPolarHBondContact CE-OE1 3.01Å; N48-E51 HydrophobicContact CB-CB 3.98Å; N48-E51 PolarHBondContact O-N 3.2Å; N48-E51 PolarHBondContact OD1-N 3.25Å; E51-V53 PolarHBondContact O-N 2.91Å; E51-V54 PolarHBondContact O-N 3.48Å; E51-C55 VanDerWaalsContact O-CB 3.31Å; E51-C55 WeakPolarHBondContact O-CB 3.33Å; E51-C55 PolarHBondContact O-N 3.12Å; E51-C55 PolarHBondContact O-SG 3.49Å; E51-Q192 PolarHBondContact OE1-NE2 3.25Å
52Q94.8Very high94.5Very high43 Ų4363.5 Ų63.520%0.20135%0.353CS..Hα-helixtrans-55.2-49.5177.5177.1-175.76.600112.2C42 M46 N48 T49 L56C42-Q52 WeakPolarHBondContact O-CG 3.17Å; C42-Q52 PolarHBondContact O-NE2 2.78Å; M46-Q52 HydrophobicContact CB-CB 4.36Å; M46-Q52 HydrophobicContact SD-CB 4.47Å; N48-Q52 WeakPolarHBondContact O-CB 3.43Å; N48-Q52 PolarHBondContact O-N 2.97Å; T49-Q52 PolarHBondContact O-N 3.17Å; Q52-L56 HydrophobicContact CG-CD1 3.92Å; Q52-L56 WeakPolarHBondContact O-CB 3.11Å; Q52-L56 WeakPolarHBondContact O-CG 3.43Å; Q52-L56 PolarHBondContact O-N 3.08Å
53V96.5Very high94.8Very high74 Ų7465.4 Ų65.445%0.44836%0.361SS..Hα-helixtrans-64.2-46.1-179.2171.10000110.9T49 G50 E51 L56 M57T49-V53 WeakPolarHBondContact O-CG2 3.33Å; T49-V53 PolarHBondContact O-N 2.92Å; G50-V53 PolarHBondContact O-N 3.43Å; E51-V53 PolarHBondContact O-N 2.91Å; V53-L56 PolarHBondContact O-N 3.32Å; V53-M57 HydrophobicContact CG1-CG 4.41Å; V53-M57 HydrophobicContact CG1-SD 3.95Å; V53-M57 WeakPolarHBondContact O-CB 3.43Å; V53-M57 VanDerWaalsContact O-CG 3.3Å; V53-M57 WeakPolarHBondContact O-CG 3.29Å; V53-M57 PolarHBondContact O-N 3.4Å
54V96.4Very high95.1Very high101 Ų10162.7 Ų62.761%0.61236%0.356SS*.Hα-helixtrans-62.1-46.9179.4172.10000110.9G50 E51 M57 A58G50-V54 WeakPolarHBondContact O-CG2 3.35Å; G50-V54 PolarHBondContact O-N 3.49Å; G50-V54 VanDerWaalsContact O-N 3.15Å; E51-V54 PolarHBondContact O-N 3.48Å; V54-M57 PolarHBondContact O-N 3.42Å; V54-A58 WeakPolarHBondContact O-CB 3.41Å; V54-A58 PolarHBondContact O-N 3.48Å
55C96.6Very high95.5Very high13 Ų1359.9 Ų59.99%0.08834%0.337CS..Hα-helixtrans-62.1-47178.2-77.10000111.7M46 E51 M57 A58 Y59M46-C55 HydrophobicContact CE-CB 4.27Å; M46-C55 HydrophobicContact SD-CB 4.36Å; E51-C55 VanDerWaalsContact O-CB 3.31Å; E51-C55 WeakPolarHBondContact O-CB 3.33Å; E51-C55 PolarHBondContact O-N 3.12Å; E51-C55 PolarHBondContact O-SG 3.49Å; C55-M57 PolarHBondContact O-N 3.28Å; C55-A58 PolarHBondContact O-N 2.87Å; C55-Y59 WeakPolarHBondContact O-CB 3.32Å; C55-Y59 PolarHBondContact O-N 3.41Å
56L97.8Very high96.1Very high34 Ų3459.4 Ų59.418%0.17833%0.333CS..Hα-helixtrans-63-42.2178.4-76.8172.3000112.2A38 C42 Q52 V53 Y59 H60A38-L56 HydrophobicContact CB-CD2 4.03Å; C42-L56 HydrophobicContact CB-CD1 4.28Å; C42-L56 HydrophobicContact CB-CD2 3.66Å; C42-L56 HydrophobicContact CB-CG 3.83Å; Q52-L56 HydrophobicContact CG-CD1 3.92Å; Q52-L56 WeakPolarHBondContact O-CB 3.11Å; Q52-L56 WeakPolarHBondContact O-CG 3.43Å; Q52-L56 PolarHBondContact O-N 3.08Å; V53-L56 PolarHBondContact O-N 3.32Å; L56-Y59 PolarHBondContact O-N 3.01Å; L56-H60 PolarHBondContact O-N 2.97Å; L56-H60 PolarHBondContact O-ND1 3.5Å
57M97.8Very high96.5Very high132 Ų13261.5 Ų61.565%0.6535%0.347SS*.Hα-helixtrans-63.1-49.9177.9-74.6-179.367.100111.8V53 V54 C55 Y59 H60 L61V53-M57 HydrophobicContact CG1-CG 4.41Å; V53-M57 HydrophobicContact CG1-SD 3.95Å; V53-M57 WeakPolarHBondContact O-CB 3.43Å; V53-M57 VanDerWaalsContact O-CG 3.3Å; V53-M57 WeakPolarHBondContact O-CG 3.29Å; V53-M57 PolarHBondContact O-N 3.4Å; V54-M57 PolarHBondContact O-N 3.42Å; C55-M57 PolarHBondContact O-N 3.28Å; M57-Y59 VanDerWaalsContact C-N 3.33Å; M57-Y59 PolarHBondContact O-N 3.33Å; M57-H60 PolarHBondContact O-N 2.91Å; M57-L61 PolarHBondContact O-N 2.95Å; M57-L61 VanDerWaalsContact O-N 3.15Å
58A97.9Very high97Very high34 Ų3457.4 Ų57.428%0.28132%0.323SS..Hα-helixtrans-62.2-42.6178.200000111.5V54 C55 L61 L62 F185V54-A58 WeakPolarHBondContact O-CB 3.41Å; V54-A58 PolarHBondContact O-N 3.48Å; C55-A58 PolarHBondContact O-N 2.87Å; A58-L61 PolarHBondContact O-N 3.4Å; A58-L62 WeakPolarHBondContact O-CG 3.29Å; A58-L62 PolarHBondContact O-N 3.04Å; A58-F185 HydrophobicContact CB-CE2 3.74Å; A58-F185 HydrophobicContact CB-CZ 3.7Å
59Y98.1Very high97.3Very high0 Ų053 Ų530%030%0.3CS..Hα-helixtrans-58.4-50.2177.2179-96.8000112.2Y34 Y37 A38 C55 L56 M57 L61 L62 F63 Y182 F185 I186Y34-Y59 WeakPolarHBondContact CA-OH 3.34Å; Y34-Y59 AromaticContact CD2-CE1 3.61Å; Y34-Y59 HydrophobicContact CD2-CE1 3.61Å; Y34-Y59 AromaticContact CE2-CE1 3.89Å; Y34-Y59 HydrophobicContact CE2-CE1 3.89Å; Y34-Y59 HydrophobicContact CG-CE1 4.44Å; Y37-Y59 HydrophobicContact CD1-CD1 4.03Å; Y37-Y59 AromaticContact CD1-CD2 3.11Å; Y37-Y59 HydrophobicContact CD1-CD2 3.11Å; Y37-Y59 HydrophobicContact CD1-CE1 4.28Å; Y37-Y59 AromaticContact CD1-CE2 3.42Å; Y37-Y59 HydrophobicContact CD1-CE2 3.42Å; Y37-Y59 VanDerWaalsContact CD1-CE2 3.42Å; Y37-Y59 AromaticContact CD1-CG 3.46Å; Y37-Y59 HydrophobicContact CD1-CG 3.46Å; Y37-Y59 VanDerWaalsContact CD1-CG 3.46Å; Y37-Y59 HydrophobicContact CD2-CD2 4.4Å; Y37-Y59 HydrophobicContact CD2-CE2 4.39Å; Y37-Y59 HydrophobicContact CE1-CD1 4.49Å; Y37-Y59 AromaticContact CE1-CD2 3.36Å; Y37-Y59 HydrophobicContact CE1-CD2 3.36Å; Y37-Y59 HydrophobicContact CE1-CE2 4.13Å; Y37-Y59 AromaticContact CE1-CG 3.6Å; Y37-Y59 HydrophobicContact CE1-CG 3.6Å; Y37-Y59 AromaticContact CG-CD2 3.7Å; Y37-Y59 HydrophobicContact CG-CD2 3.7Å; Y37-Y59 AromaticContact CG-CE2 3.57Å; Y37-Y59 HydrophobicContact CG-CE2 3.57Å; Y37-Y59 HydrophobicContact CG-CG 4.43Å; A38-Y59 HydrophobicContact CB-CE1 4.34Å; C55-Y59 WeakPolarHBondContact O-CB 3.32Å; C55-Y59 PolarHBondContact O-N 3.41Å; L56-Y59 PolarHBondContact O-N 3.01Å; M57-Y59 VanDerWaalsContact C-N 3.33Å; M57-Y59 PolarHBondContact O-N 3.33Å; Y59-L61 VanDerWaalsContact C-N 3.33Å; Y59-L61 PolarHBondContact O-N 2.75Å; Y59-L62 PolarHBondContact O-N 2.9Å; Y59-F63 HydrophobicContact CE1-CB 4.36Å; Y59-F63 VanDerWaalsContact O-CB 3.22Å; Y59-F63 WeakPolarHBondContact O-CB 3.47Å; Y59-F63 PolarHBondContact O-N 3.17Å; Y59-Y182 HydrophobicContact CD2-CE2 4.04Å; Y59-Y182 HydrophobicContact CE2-CD2 4.29Å; Y59-Y182 AromaticContact CE2-CE2 3.31Å; Y59-Y182 HydrophobicContact CE2-CE2 3.31Å; Y59-Y182 AromaticContact CE2-CZ 3.81Å; Y59-Y182 AromaticContact CZ-CE2 3.71Å; Y59-Y182 PolarHBondContact OH-OH 3.44Å; Y59-F185 HydrophobicContact CD2-CD1 4.44Å; Y59-F185 HydrophobicContact CD2-CE1 4.25Å; Y59-I186 HydrophobicContact CE2-CD1 4.16Å; Y59-I186 HydrophobicContact CE2-CG1 4.22Å
60H98.4Very high97.5Very high79 Ų7948.9 Ų48.937%0.36627%0.274SS..Hα-helixtrans-65.4-36.2-179.2-77.983.4000112.6Y34 L56 M57 G64Y34-H60 AromaticContact CE2-NE2 3.53Å; Y34-H60 AromaticContact CZ-NE2 3.55Å; Y34-H60 PolarHBondContact OH-NE2 2.85Å; L56-H60 PolarHBondContact O-N 2.97Å; L56-H60 PolarHBondContact O-ND1 3.5Å; M57-H60 PolarHBondContact O-N 2.91Å; H60-G64 PolarHBondContact O-N 3.06Å
61L98.3Very high97.7Very high118 Ų11854.2 Ų54.262%0.61828%0.28SS*.Hα-helixtrans-63.3-48.1175-178.8142000111.2M57 A58 Y59 G64 M65M57-L61 PolarHBondContact O-N 2.95Å; M57-L61 VanDerWaalsContact O-N 3.15Å; A58-L61 PolarHBondContact O-N 3.4Å; Y59-L61 VanDerWaalsContact C-N 3.33Å; Y59-L61 PolarHBondContact O-N 2.75Å; L61-G64 PolarHBondContact O-N 3.36Å; L61-M65 WeakPolarHBondContact O-CG 3.27Å; L61-M65 PolarHBondContact O-N 2.86Å; L61-M65 VanDerWaalsContact O-N 3.1Å
62L98.4Very high98Very high25 Ų2554 Ų5413%0.13128%0.278CS..Hα-helixtrans-65.1-46.2177.7-71.5173.3000111.7A58 Y59 G64 M65 F66 L181 Y182 F185A58-L62 WeakPolarHBondContact O-CG 3.29Å; A58-L62 PolarHBondContact O-N 3.04Å; Y59-L62 PolarHBondContact O-N 2.9Å; L62-G64 VanDerWaalsContact C-N 3.34Å; L62-G64 PolarHBondContact O-N 3.25Å; L62-M65 PolarHBondContact O-N 3.33Å; L62-F66 VanDerWaalsContact O-CB 3.24Å; L62-F66 WeakPolarHBondContact O-CB 3.42Å; L62-F66 PolarHBondContact O-N 3.48Å; L62-L181 HydrophobicContact CD2-CB 4.05Å; L62-Y182 HydrophobicContact CB-CD2 4.45Å; L62-F185 HydrophobicContact CD1-CB 3.64Å; L62-F185 HydrophobicContact CD1-CD1 4.11Å; L62-F185 HydrophobicContact CD1-CD2 4.04Å; L62-F185 HydrophobicContact CD1-CG 3.65Å
63F98.4Very high98.1Very high41 Ų4151.9 Ų51.918%0.1827%0.269CS..Hα-helixtrans-59.2-44.4177.7-176.3-100.5000111.4L30 Y34 Y59 F66 V67 Y182L30-F63 HydrophobicContact CB-CE2 4.5Å; Y34-F63 HydrophobicContact CD2-CD1 4.08Å; Y34-F63 HydrophobicContact CD2-CD2 4.39Å; Y34-F63 AromaticContact CD2-CE1 3.91Å; Y34-F63 HydrophobicContact CD2-CE1 3.91Å; Y34-F63 HydrophobicContact CD2-CE2 4.23Å; Y34-F63 HydrophobicContact CD2-CG 4.32Å; Y34-F63 AromaticContact CD2-CZ 3.98Å; Y34-F63 HydrophobicContact CD2-CZ 3.98Å; Y34-F63 HydrophobicContact CE2-CD1 4.39Å; Y34-F63 HydrophobicContact CE2-CE1 4.4Å; Y34-F63 HydrophobicContact CG-CZ 4.5Å; Y59-F63 HydrophobicContact CE1-CB 4.36Å; Y59-F63 VanDerWaalsContact O-CB 3.22Å; Y59-F63 WeakPolarHBondContact O-CB 3.47Å; Y59-F63 PolarHBondContact O-N 3.17Å; F63-F66 PolarHBondContact O-N 3.32Å; F63-V67 HydrophobicContact CD1-CG2 4.16Å; F63-V67 HydrophobicContact CD2-CG2 4.39Å; F63-V67 HydrophobicContact CE1-CG2 3.81Å; F63-V67 HydrophobicContact CE2-CG2 4.06Å; F63-V67 HydrophobicContact CG-CG2 4.44Å; F63-V67 HydrophobicContact CZ-CG2 3.76Å; F63-V67 WeakPolarHBondContact O-CB 3.42Å; F63-V67 WeakPolarHBondContact O-CG2 3.47Å; F63-V67 PolarHBondContact O-N 3.3Å; F63-Y182 HydrophobicContact CB-CE2 4.12Å; F63-Y182 AromaticContact CD2-CE2 3.81Å; F63-Y182 HydrophobicContact CD2-CE2 3.81Å; F63-Y182 HydrophobicContact CG-CE2 4.48Å
64G98.6Very high98.2Very high36 Ų3649 Ų4937%0.37125%0.251SS..Hα-helixtrans-60.6-46.9176.400000112.8H60 L61 L62 V67 W68H60-G64 PolarHBondContact O-N 3.06Å; L61-G64 PolarHBondContact O-N 3.36Å; L62-G64 VanDerWaalsContact C-N 3.34Å; L62-G64 PolarHBondContact O-N 3.25Å; G64-V67 PolarHBondContact O-N 3.38Å; G64-W68 VanDerWaalsContact O-CB 3.23Å; G64-W68 WeakPolarHBondContact O-CB 3.34Å; G64-W68 PolarHBondContact O-N 3.41Å
65M98.6Very high98.3Very high29 Ų2948.8 Ų48.814%0.14324%0.241CC..Hα-helixtrans-66.6-38.8177.6-69.4-56.3-65.600112.7L61 L62 W68 S69 Y178 L280 L281 P282L61-M65 WeakPolarHBondContact O-CG 3.27Å; L61-M65 PolarHBondContact O-N 2.86Å; L61-M65 VanDerWaalsContact O-N 3.1Å; L62-M65 PolarHBondContact O-N 3.33Å; M65-W68 HydrophobicContact CE-CE3 4.18Å; M65-W68 HydrophobicContact CE-CZ3 4.32Å; M65-W68 HydrophobicContact SD-CE3 3.82Å; M65-W68 HydrophobicContact SD-CZ3 4.11Å; M65-S69 WeakPolarHBondContact O-CB 3.36Å; M65-S69 PolarHBondContact O-N 2.77Å; M65-S69 PolarHBondContact O-OG 2.96Å; M65-Y178 HydrophobicContact CB-CD1 3.75Å; M65-Y178 HydrophobicContact CB-CD2 3.96Å; M65-Y178 HydrophobicContact CB-CE1 3.84Å; M65-Y178 HydrophobicContact CB-CE2 4.05Å; M65-Y178 HydrophobicContact CB-CG 3.84Å; M65-Y178 HydrophobicContact CE-CE1 4.43Å; M65-Y178 HydrophobicContact CE-CE2 3.61Å; M65-Y178 WeakPolarHBondContact CE-OH 3.44Å; M65-Y178 HydrophobicContact CG-CE1 4.23Å; M65-L280 WeakPolarHBondContact CE-O 3.4Å; M65-L281 HydrophobicContact CE-CD2 4.09Å; M65-P282 HydrophobicContact CE-CG 4.43Å
66F98.5Very high98.4Very high8 Ų848.7 Ų48.74%0.03524%0.24CC..Hα-helixtrans-64.1-49.8175.3165.2-94.7000111.5L30 L62 F63 W68 S69 Y70 F175 S179L30-F66 HydrophobicContact CD1-CE1 3.31Å; L30-F66 HydrophobicContact CD1-CZ 3.65Å; L30-F66 HydrophobicContact CD2-CD1 4.05Å; L30-F66 HydrophobicContact CD2-CE1 3.11Å; L30-F66 HydrophobicContact CD2-CZ 3.47Å; L30-F66 VanDerWaalsContact CD2-CZ 3.47Å; L30-F66 HydrophobicContact CG-CE1 3.73Å; L30-F66 HydrophobicContact CG-CZ 4.08Å; L62-F66 VanDerWaalsContact O-CB 3.24Å; L62-F66 WeakPolarHBondContact O-CB 3.42Å; L62-F66 PolarHBondContact O-N 3.48Å; F63-F66 PolarHBondContact O-N 3.32Å; F66-W68 PolarHBondContact O-N 3.05Å; F66-S69 PolarHBondContact O-N 2.86Å; F66-S69 PolarHBondContact O-OG 3.5Å; F66-Y70 VanDerWaalsContact O-CB 3.32Å; F66-Y70 WeakPolarHBondContact O-CB 3.42Å; F66-Y70 PolarHBondContact O-N 2.87Å; F66-F175 HydrophobicContact CD2-CD2 4.26Å; F66-F175 HydrophobicContact CD2-CE2 4.38Å; F66-F175 AromaticContact CE2-CD2 3.87Å; F66-F175 HydrophobicContact CE2-CD2 3.87Å; F66-F175 AromaticContact CE2-CE2 3.56Å; F66-F175 HydrophobicContact CE2-CE2 3.56Å; F66-F175 HydrophobicContact CZ-CE2 4.12Å; F66-S179 WeakPolarHBondContact CD2-OG 3.33Å; F66-S179 WeakPolarHBondContact CE2-OG 3.38Å
67V98.6Very high98.3Very high56 Ų5653.7 Ų53.734%0.33927%0.267SS..Hα-helixtrans-63.3-42.2177.8171.30000111F63 G64 Y70 W71F63-V67 HydrophobicContact CD1-CG2 4.16Å; F63-V67 HydrophobicContact CD2-CG2 4.39Å; F63-V67 HydrophobicContact CE1-CG2 3.81Å; F63-V67 HydrophobicContact CE2-CG2 4.06Å; F63-V67 HydrophobicContact CG-CG2 4.44Å; F63-V67 HydrophobicContact CZ-CG2 3.76Å; F63-V67 WeakPolarHBondContact O-CB 3.42Å; F63-V67 WeakPolarHBondContact O-CG2 3.47Å; F63-V67 PolarHBondContact O-N 3.3Å; G64-V67 PolarHBondContact O-N 3.38Å; V67-Y70 PolarHBondContact O-N 3.41Å; V67-W71 VanDerWaalsContact O-CB 3.29Å; V67-W71 WeakPolarHBondContact O-CB 3.39Å; V67-W71 PolarHBondContact O-N 3.44Å
68W98.8Very high98.1Very high96 Ų9647.8 Ų47.836%0.36424%0.238SC..Hα-helixtrans-62.8-46.6178.8-177.419.3000112G64 M65 F66 W71 K72 L281 P282 I283G64-W68 VanDerWaalsContact O-CB 3.23Å; G64-W68 WeakPolarHBondContact O-CB 3.34Å; G64-W68 PolarHBondContact O-N 3.41Å; M65-W68 HydrophobicContact CE-CE3 4.18Å; M65-W68 HydrophobicContact CE-CZ3 4.32Å; M65-W68 HydrophobicContact SD-CE3 3.82Å; M65-W68 HydrophobicContact SD-CZ3 4.11Å; F66-W68 PolarHBondContact O-N 3.05Å; W68-W71 PolarHBondContact O-N 3.05Å; W68-K72 WeakPolarHBondContact O-CB 3.1Å; W68-K72 VanDerWaalsContact O-CG 3.29Å; W68-K72 WeakPolarHBondContact O-CG 3.29Å; W68-K72 PolarHBondContact O-N 2.72Å; W68-L281 HydrophobicContact CH2-CB 4.37Å; W68-L281 HydrophobicContact CH2-CD2 4.29Å; W68-L281 HydrophobicContact CZ3-CD2 3.98Å; W68-P282 HydrophobicContact CB-CG 4.42Å; W68-P282 HydrophobicContact CD2-CB 4.03Å; W68-P282 HydrophobicContact CD2-CG 3.74Å; W68-P282 HydrophobicContact CE3-CG 4Å; W68-P282 HydrophobicContact CG-CB 4.15Å; W68-P282 HydrophobicContact CG-CG 3.94Å; W68-P282 HydrophobicContact CZ2-CB 4.45Å; W68-I283 HydrophobicContact CH2-CD1 4.3Å; W68-I283 HydrophobicContact CH2-CG1 4.25Å; W68-I283 HydrophobicContact CZ2-CD1 4.44Å; W68-I283 HydrophobicContact CZ2-CG1 3.99Å
69S98.8Very high97.8Very high0 Ų049.3 Ų49.30%024%0.24CC..Hα-helixtrans-66.6-38.8177.255.10000112.7M65 F66 K72 T73 F175M65-S69 WeakPolarHBondContact O-CB 3.36Å; M65-S69 PolarHBondContact O-N 2.77Å; M65-S69 PolarHBondContact O-OG 2.96Å; F66-S69 PolarHBondContact O-N 2.86Å; F66-S69 PolarHBondContact O-OG 3.5Å; S69-K72 PolarHBondContact O-N 3.4Å; S69-T73 WeakPolarHBondContact O-CB 3.05Å; S69-T73 PolarHBondContact O-N 3.3Å; S69-T73 PolarHBondContact O-OG1 3.46Å; S69-F175 WeakPolarHBondContact OG-CA 3.35Å
70Y98.7Very high97.4Very high11 Ų1153.6 Ų53.64%0.04326%0.263CS..Hα-helixtrans-62.1-49.3174.3-173.5-130.2000111.5I26 F66 V67 K72 T73 I74 W159 V160 F175I26-Y70 HydrophobicContact CG2-CE1 3.92Å; I26-Y70 HydrophobicContact CG2-CE2 4.39Å; F66-Y70 VanDerWaalsContact O-CB 3.32Å; F66-Y70 WeakPolarHBondContact O-CB 3.42Å; F66-Y70 PolarHBondContact O-N 2.87Å; V67-Y70 PolarHBondContact O-N 3.41Å; Y70-K72 PolarHBondContact O-N 3.3Å; Y70-T73 WeakPolarHBondContact O-CB 3.49Å; Y70-T73 PolarHBondContact O-N 3.42Å; Y70-T73 VanDerWaalsContact O-N 3.1Å; Y70-I74 HydrophobicContact CD1-CD1 3.83Å; Y70-I74 HydrophobicContact CD2-CD1 4.13Å; Y70-I74 HydrophobicContact CD2-CG1 4.46Å; Y70-I74 HydrophobicContact CE1-CD1 3.54Å; Y70-I74 HydrophobicContact CE2-CD1 3.88Å; Y70-I74 HydrophobicContact CE2-CG1 4.25Å; Y70-I74 HydrophobicContact CG-CD1 4.11Å; Y70-I74 WeakPolarHBondContact O-CG1 3.26Å; Y70-I74 PolarHBondContact O-N 3.16Å; Y70-W159 WeakPolarHBondContact CE2-O 3.24Å; Y70-W159 PolarHBondContact OH-O 3Å; Y70-V160 HydrophobicContact CD2-CG1 4.14Å; Y70-V160 HydrophobicContact CE2-CG1 3.77Å; Y70-F175 AromaticContact CD2-CD2 3.7Å; Y70-F175 HydrophobicContact CD2-CD2 3.7Å; Y70-F175 HydrophobicContact CD2-CE1 4.4Å; Y70-F175 AromaticContact CD2-CE2 3.33Å; Y70-F175 HydrophobicContact CD2-CE2 3.33Å; Y70-F175 HydrophobicContact CD2-CG 4.36Å; Y70-F175 AromaticContact CD2-CZ 3.74Å; Y70-F175 HydrophobicContact CD2-CZ 3.74Å; Y70-F175 AromaticContact CE2-CE2 3.99Å; Y70-F175 HydrophobicContact CE2-CE2 3.99Å; Y70-F175 AromaticContact CE2-CZ 3.99Å; Y70-F175 HydrophobicContact CE2-CZ 3.99Å; Y70-F175 HydrophobicContact CG-CD2 4.16Å; Y70-F175 AromaticContact CG-CE2 3.98Å; Y70-F175 HydrophobicContact CG-CE2 3.98Å
71W98.7Very high97.2Very high154 Ų15450.4 Ų50.458%0.58325%0.249SC*.Hα-helixtrans-55.6-48.9175.3-179.4-83.7000111.7V67 W68 T73 I74 F75V67-W71 VanDerWaalsContact O-CB 3.29Å; V67-W71 WeakPolarHBondContact O-CB 3.39Å; V67-W71 PolarHBondContact O-N 3.44Å; W68-W71 PolarHBondContact O-N 3.05Å; W71-T73 VanDerWaalsContact C-N 3.26Å; W71-T73 PolarHBondContact O-N 2.85Å; W71-I74 PolarHBondContact O-N 3.21Å; W71-F75 AromaticContact CD2-CD2 3.41Å; W71-F75 HydrophobicContact CD2-CD2 3.41Å; W71-F75 VanDerWaalsContact CD2-CD2 3.41Å; W71-F75 AromaticContact CD2-CE2 3.58Å; W71-F75 HydrophobicContact CD2-CE2 3.58Å; W71-F75 AromaticContact CE2-CD2 3.4Å; W71-F75 AromaticContact CE2-CE2 3.79Å; W71-F75 AromaticContact CE3-CD2 3.79Å; W71-F75 HydrophobicContact CE3-CD2 3.79Å; W71-F75 AromaticContact CE3-CE2 3.41Å; W71-F75 HydrophobicContact CE3-CE2 3.41Å; W71-F75 VanDerWaalsContact CE3-CE2 3.41Å; W71-F75 HydrophobicContact CE3-CZ 4.46Å; W71-F75 AromaticContact CG-CD2 3.81Å; W71-F75 HydrophobicContact CG-CD2 3.81Å; W71-F75 HydrophobicContact CG-CE2 4.33Å; W71-F75 HydrophobicContact CH2-CD2 4.12Å; W71-F75 AromaticContact CH2-CE2 3.69Å; W71-F75 HydrophobicContact CH2-CE2 3.69Å; W71-F75 HydrophobicContact CH2-CZ 4.14Å; W71-F75 AromaticContact CZ2-CD2 3.78Å; W71-F75 HydrophobicContact CZ2-CD2 3.78Å; W71-F75 AromaticContact CZ2-CE2 3.86Å; W71-F75 HydrophobicContact CZ2-CE2 3.86Å; W71-F75 HydrophobicContact CZ2-CG 4.37Å; W71-F75 HydrophobicContact CZ2-CZ 4.5Å; W71-F75 HydrophobicContact CZ3-CD2 4.13Å; W71-F75 AromaticContact CZ3-CE2 3.47Å; W71-F75 HydrophobicContact CZ3-CE2 3.47Å; W71-F75 VanDerWaalsContact CZ3-CE2 3.47Å; W71-F75 HydrophobicContact CZ3-CZ 4.13Å; W71-F75 AromaticContact NE1-CD2 3.78Å; W71-F75 WeakPolarHBondContact O-CD2 3.49Å; W71-F75 PolarHBondContact O-N 3.35Å
72K98.6Very high96.9Very high49 Ų4946.7 Ų46.721%0.21323%0.233CC..Hα-helixtrans-62.4-33.6178.5-73.9-66.5-62.1169.60112.4W68 S69 Y70 T76 F171 P282W68-K72 WeakPolarHBondContact O-CB 3.1Å; W68-K72 VanDerWaalsContact O-CG 3.29Å; W68-K72 WeakPolarHBondContact O-CG 3.29Å; W68-K72 PolarHBondContact O-N 2.72Å; S69-K72 PolarHBondContact O-N 3.4Å; Y70-K72 PolarHBondContact O-N 3.3Å; K72-T76 WeakPolarHBondContact O-CB 3.35Å; K72-T76 PolarHBondContact O-N 3.25Å; K72-T76 VanDerWaalsContact O-N 3.13Å; K72-T76 PolarHBondContact O-OG1 3.05Å; K72-F171 HydrophobicContact CB-CB 4.09Å; K72-F171 HydrophobicContact CB-CD1 4.3Å; K72-F171 HydrophobicContact CB-CD2 3.9Å; K72-F171 HydrophobicContact CB-CE2 4.43Å; K72-F171 HydrophobicContact CB-CG 3.83Å; K72-P282 HydrophobicContact CB-CB 4.21Å; K72-P282 WeakPolarHBondContact CE-O 3.33Å; K72-P282 HydrophobicContact CG-CB 3.87Å
73T98.6Very high96.6Very high0 Ų054.7 Ų54.70%027%0.267CS..Hα-helixtrans-70.6-41.8177.3-54.50000112S69 Y70 W71 V160 N162 N168 F171 F172S69-T73 WeakPolarHBondContact O-CB 3.05Å; S69-T73 PolarHBondContact O-N 3.3Å; S69-T73 PolarHBondContact O-OG1 3.46Å; Y70-T73 WeakPolarHBondContact O-CB 3.49Å; Y70-T73 PolarHBondContact O-N 3.42Å; Y70-T73 VanDerWaalsContact O-N 3.1Å; W71-T73 VanDerWaalsContact C-N 3.26Å; W71-T73 PolarHBondContact O-N 2.85Å; T73-V160 HydrophobicContact CG2-CB 4.16Å; T73-V160 HydrophobicContact CG2-CG1 3.8Å; T73-V160 HydrophobicContact CG2-CG2 4.16Å; T73-N162 PolarHBondContact O-ND2 3.01Å; T73-N168 PolarHBondContact O-ND2 2.82Å; T73-F171 WeakPolarHBondContact OG1-CB 3.49Å; T73-F171 PolarHBondContact OG1-O 2.95Å; T73-F172 HydrophobicContact CG2-CB 3.94Å; T73-F172 HydrophobicContact CG2-CD2 4.15Å; T73-F172 PolarHBondContact OG1-N 2.89Å
74I98.4Very high96.4Very high13 Ų1358.2 Ų58.27%0.06728%0.284CS..Hα-helixtrans-66.3-54.8177.3-65.4163.7000110.9W20 V23 Y70 W71 V160 N162W20-I74 HydrophobicContact CH2-CG2 3.95Å; W20-I74 HydrophobicContact CZ3-CG2 3.94Å; V23-I74 HydrophobicContact CG1-CD1 3.83Å; Y70-I74 HydrophobicContact CD1-CD1 3.83Å; Y70-I74 HydrophobicContact CD2-CD1 4.13Å; Y70-I74 HydrophobicContact CD2-CG1 4.46Å; Y70-I74 HydrophobicContact CE1-CD1 3.54Å; Y70-I74 HydrophobicContact CE2-CD1 3.88Å; Y70-I74 HydrophobicContact CE2-CG1 4.25Å; Y70-I74 HydrophobicContact CG-CD1 4.11Å; Y70-I74 WeakPolarHBondContact O-CG1 3.26Å; Y70-I74 PolarHBondContact O-N 3.16Å; W71-I74 PolarHBondContact O-N 3.21Å; I74-V160 HydrophobicContact CG1-CB 3.83Å; I74-V160 HydrophobicContact CG1-CG1 4.35Å; I74-V160 WeakPolarHBondContact CG1-O 3.44Å; I74-N162 PolarHBondContact O-ND2 3.37Å
75F98.3Very high96.3Very high96 Ų9656.6 Ų56.642%0.42127%0.267SS..Hα-helixtrans-94.7-6.4-164.4-64-71.3000114.5W20 W71 L77W20-F75 AromaticContact CH2-CE1 3.88Å; W20-F75 HydrophobicContact CH2-CE1 3.88Å; W20-F75 HydrophobicContact CH2-CZ 4.26Å; W20-F75 HydrophobicContact CZ3-CE1 4.49Å; W20-F75 HydrophobicContact CZ3-CZ 4.43Å; W71-F75 AromaticContact CD2-CD2 3.41Å; W71-F75 HydrophobicContact CD2-CD2 3.41Å; W71-F75 VanDerWaalsContact CD2-CD2 3.41Å; W71-F75 AromaticContact CD2-CE2 3.58Å; W71-F75 HydrophobicContact CD2-CE2 3.58Å; W71-F75 AromaticContact CE2-CD2 3.4Å; W71-F75 AromaticContact CE2-CE2 3.79Å; W71-F75 AromaticContact CE3-CD2 3.79Å; W71-F75 HydrophobicContact CE3-CD2 3.79Å; W71-F75 AromaticContact CE3-CE2 3.41Å; W71-F75 HydrophobicContact CE3-CE2 3.41Å; W71-F75 VanDerWaalsContact CE3-CE2 3.41Å; W71-F75 HydrophobicContact CE3-CZ 4.46Å; W71-F75 AromaticContact CG-CD2 3.81Å; W71-F75 HydrophobicContact CG-CD2 3.81Å; W71-F75 HydrophobicContact CG-CE2 4.33Å; W71-F75 HydrophobicContact CH2-CD2 4.12Å; W71-F75 AromaticContact CH2-CE2 3.69Å; W71-F75 HydrophobicContact CH2-CE2 3.69Å; W71-F75 HydrophobicContact CH2-CZ 4.14Å; W71-F75 AromaticContact CZ2-CD2 3.78Å; W71-F75 HydrophobicContact CZ2-CD2 3.78Å; W71-F75 AromaticContact CZ2-CE2 3.86Å; W71-F75 HydrophobicContact CZ2-CE2 3.86Å; W71-F75 HydrophobicContact CZ2-CG 4.37Å; W71-F75 HydrophobicContact CZ2-CZ 4.5Å; W71-F75 HydrophobicContact CZ3-CD2 4.13Å; W71-F75 AromaticContact CZ3-CE2 3.47Å; W71-F75 HydrophobicContact CZ3-CE2 3.47Å; W71-F75 VanDerWaalsContact CZ3-CE2 3.47Å; W71-F75 HydrophobicContact CZ3-CZ 4.13Å; W71-F75 AromaticContact NE1-CD2 3.78Å; W71-F75 WeakPolarHBondContact O-CD2 3.49Å; W71-F75 PolarHBondContact O-N 3.35Å; F75-L77 PolarHBondContact O-N 2.96Å
76T98.3Very high96.1Very high11 Ų1158.8 Ų58.87%0.06728%0.277CS..SBendtrans-75.8109169.2-58.50000109.2K72 N162 N168 F171K72-T76 WeakPolarHBondContact O-CB 3.35Å; K72-T76 PolarHBondContact O-N 3.25Å; K72-T76 VanDerWaalsContact O-N 3.13Å; K72-T76 PolarHBondContact O-OG1 3.05Å; T76-N162 PolarHBondContact O-ND2 3.19Å; T76-N168 HydrophobicContact CG2-CB 4.14Å; T76-F171 HydrophobicContact CG2-CD2 4.32Å; T76-F171 HydrophobicContact CG2-CE2 3.93Å; T76-F171 WeakPolarHBondContact OG1-CD2 3.5Å; T76-F171 VanDerWaalsContact OG1-CE2 3.32Å; T76-F171 WeakPolarHBondContact OG1-CE2 3.42Å
77L96.1Very high95.8Very high140 Ų14058.7 Ų58.773%0.73328%0.277SS*.PPolyproline II helixtrans-62.3138.8179.3-64.4174.9000110.8F75 M79 S167F75-L77 PolarHBondContact O-N 2.96Å; L77-M79 PolarHBondContact O-N 3.48Å; L77-S167 PolarHBondContact O-OG 3.25Å
78P94.1Very high95.5Very high7 Ų758.8 Ų58.85%0.04528%0.279CS..PPolyproline II helixtrans-62.5133.1172.7-19.930.5000110.1K148 I150 N162 C163 S167P78-K148 PolarHBondContact O-NZ 3.42Å; P78-I150 HydrophobicContact CB-CD1 3.51Å; P78-I150 HydrophobicContact CB-CG2 4.13Å; P78-I150 HydrophobicContact CG-CD1 3.97Å; P78-N162 VanDerWaalsContact CD-OD1 3.25Å; P78-N162 WeakPolarHBondContact CD-OD1 3.41Å; P78-N162 WeakPolarHBondContact CG-OD1 3.38Å; P78-C163 HydrophobicContact CB-CB 4.47Å; P78-C163 HydrophobicContact CG-CB 3.84Å; P78-S167 WeakPolarHBondContact CA-OG 3.26Å
79M90.6Very high95.1Very high67 Ų6762.9 Ų62.933%0.3330%0.296SS..PPolyproline II helixtrans-68.5137.6176.5-166.7176.8-68.300110.5L77 L151 F166 S167L77-M79 PolarHBondContact O-N 3.48Å; M79-L151 HydrophobicContact CB-CD1 4.04Å; M79-L151 HydrophobicContact CG-CD1 3.77Å; M79-L151 HydrophobicContact SD-CD1 3.9Å; M79-F166 HydrophobicContact CE-CD1 4.36Å; M79-F166 HydrophobicContact CE-CE1 4.41Å; M79-F166 HydrophobicContact SD-CD1 4.25Å; M79-F166 HydrophobicContact SD-CE1 4.48Å; M79-S167 PolarHBondContact N-OG 3.34Å
80N88.8Confident94.8Very high90 Ų9066.1 Ų66.148%0.48132%0.323SS..PPolyproline II helixtrans-91.9154.6176.6-60.8-24.4000109.7K148N80-K148 WeakPolarHBondContact OD1-CD 3.19Å; N80-K148 PolarHBondContact OD1-NZ 2.74Å
81P94.3Very high94.5Very high11 Ų1168.3 Ų68.37%0.07133%0.333CS..PPolyproline II helixtrans-53.6144.4169-24.834.6000112.4F85 L134 P137 C149 L151P81-F85 HydrophobicContact CB-CB 4.27Å; P81-L134 HydrophobicContact CB-CD1 4.5Å; P81-L134 HydrophobicContact CB-CD2 4.27Å; P81-L134 HydrophobicContact CG-CD1 4.13Å; P81-L134 HydrophobicContact CG-CD2 3.97Å; P81-P137 HydrophobicContact CB-CG 3.94Å; P81-P137 HydrophobicContact CG-CG 4.22Å; P81-C149 HydrophobicContact CG-CB 3.85Å; P81-L151 HydrophobicContact CB-CD2 4.28Å; P81-L151 HydrophobicContact CG-CD2 3.94Å
82S93.2Very high94.2Very high40 Ų4064 Ų6428%0.2832%0.319SS..PPolyproline II helixtrans-61.3162.117447.20000111.5E84 F85 H86S82-E84 WeakPolarHBondContact CB-OE1 3.41Å; S82-E84 PolarHBondContact O-N 3.29Å; S82-E84 WeakPolarHBondContact OG-CG 3.48Å; S82-E84 PolarHBondContact OG-OE1 2.74Å; S82-F85 PolarHBondContact O-N 2.79Å; S82-F85 WeakPolarHBondContact OG-CD2 3.44Å; S82-F85 WeakPolarHBondContact OG-CE2 3.47Å; S82-H86 PolarHBondContact O-ND1 2.9Å; S82-H86 VanDerWaalsContact O-ND1 3.1Å
83K92.3Very high93.9Very high193 Ų19365 Ų6584%0.83932%0.324SS*.G310 helixtrans-62.5-28.8-176.5-68.4-175.8-179.4178.40112.8F85 H86K83-F85 PolarHBondContact O-N 2.7Å; K83-H86 WeakPolarHBondContact O-CB 3.48Å; K83-H86 PolarHBondContact O-N 3.04Å
84E94.1Very high93.6Very high116 Ų11668.7 Ų68.754%0.54234%0.344SS..G310 helixtrans-61.1-27.9178.570.2-157.1149.500113.6S82 H86 L115S82-E84 WeakPolarHBondContact CB-OE1 3.41Å; S82-E84 PolarHBondContact O-N 3.29Å; S82-E84 WeakPolarHBondContact OG-CG 3.48Å; S82-E84 PolarHBondContact OG-OE1 2.74Å; E84-H86 VanDerWaalsContact C-N 3.29Å; E84-H86 PolarHBondContact O-N 2.85Å; E84-L115 HydrophobicContact CB-CD2 4.21Å; E84-L115 HydrophobicContact CG-CD2 4.01Å
85F96Very high93.3Very high1 Ų168.4 Ų68.40%0.00434%0.342CS..G310 helixtrans-80.2-11.8176-71.5-90.3000113.1P81 S82 K83 L115 P116 I117 L134 I135 P137 C291P81-F85 HydrophobicContact CB-CB 4.27Å; S82-F85 PolarHBondContact O-N 2.79Å; S82-F85 WeakPolarHBondContact OG-CD2 3.44Å; S82-F85 WeakPolarHBondContact OG-CE2 3.47Å; K83-F85 PolarHBondContact O-N 2.7Å; F85-L115 HydrophobicContact CD1-CD1 3.85Å; F85-L115 HydrophobicContact CE1-CB 4.3Å; F85-L115 HydrophobicContact CE1-CD1 4.23Å; F85-L115 HydrophobicContact CG-CD1 4.43Å; F85-P116 HydrophobicContact CZ-CG 4.23Å; F85-I117 HydrophobicContact CD1-CD1 4.12Å; F85-I117 HydrophobicContact CE1-CD1 3.82Å; F85-I117 HydrophobicContact CE1-CG1 3.83Å; F85-L134 CarbonylContact O-C 3.51Å; F85-L134 WeakPolarHBondContact O-CA 3.49Å; F85-L134 VanDerWaalsContact O-CB 3.32Å; F85-L134 WeakPolarHBondContact O-CB 3.34Å; F85-I135 WeakPolarHBondContact CB-O 3.16Å; F85-I135 WeakPolarHBondContact CD1-O 3.36Å; F85-I135 PolarHBondContact O-N 3.06Å; F85-P137 HydrophobicContact CD1-CB 4.14Å; F85-P137 HydrophobicContact CD1-CG 3.56Å; F85-P137 HydrophobicContact CD2-CG 3.99Å; F85-P137 HydrophobicContact CE1-CB 3.71Å; F85-P137 HydrophobicContact CE1-CG 3.62Å; F85-P137 HydrophobicContact CE2-CG 4.07Å; F85-P137 HydrophobicContact CG-CG 3.75Å; F85-P137 HydrophobicContact CZ-CB 3.92Å; F85-P137 HydrophobicContact CZ-CG 3.89Å; F85-C291 HydrophobicContact CE2-CB 3.69Å; F85-C291 HydrophobicContact CZ-CB 4.01Å
86H94.6Very high92.9Very high75 Ų7571 Ų7135%0.34736%0.356SS..BIsolated β-bridgetrans-83.2134.6176.9-66.170.5000109.3S82 K83 E84 S88S82-H86 PolarHBondContact O-ND1 2.9Å; S82-H86 VanDerWaalsContact O-ND1 3.1Å; K83-H86 WeakPolarHBondContact O-CB 3.48Å; K83-H86 PolarHBondContact O-N 3.04Å; E84-H86 VanDerWaalsContact C-N 3.29Å; E84-H86 PolarHBondContact O-N 2.85Å; H86-S88 PolarHBondContact O-N 3.48Å
87L92.1Very high92.6Very high7 Ų779 Ų794%0.03738%0.384CS..PPolyproline II helixtrans-63.9139.3175.2-62.9179.1000110.1E91 K92 L95 L108 A111 Y128 Q133 I135L87-E91 HydrophobicContact CB-CB 4.16Å; L87-E91 HydrophobicContact CD2-CB 4.34Å; L87-K92 HydrophobicContact CB-CD 4.44Å; L87-K92 HydrophobicContact CB-CG 3.67Å; L87-K92 HydrophobicContact CD1-CG 4.38Å; L87-K92 WeakPolarHBondContact O-CE 3.46Å; L87-K92 PolarHBondContact O-NZ 3.33Å; L87-L95 HydrophobicContact CD1-CD2 3.66Å; L87-L108 HydrophobicContact CD1-CD2 4.2Å; L87-A111 HydrophobicContact CD2-CB 3.74Å; L87-Y128 HydrophobicContact CD1-CE2 3.61Å; L87-Y128 HydrophobicContact CG-CE2 4.31Å; L87-Q133 PolarHBondContact N-O 2.9Å; L87-I135 HydrophobicContact CD2-CD1 3.91Å; L87-I135 HydrophobicContact CD2-CG1 3.96Å
88S92Very high92.4Very high57 Ų5775.8 Ų75.840%0.39937%0.366SS..PPolyproline II helixtrans-61.4163.7168.168.30000110.5H86 A90 E91 K92H86-S88 PolarHBondContact O-N 3.48Å; S88-A90 VanDerWaalsContact C-N 3.31Å; S88-A90 PolarHBondContact O-N 2.98Å; S88-E91 VanDerWaalsContact CB-OE2 3.26Å; S88-E91 WeakPolarHBondContact CB-OE2 3.5Å; S88-E91 PolarHBondContact N-OE2 3.15Å; S88-E91 PolarHBondContact O-N 3.02Å; S88-E91 WeakPolarHBondContact OG-CB 3.43Å; S88-E91 VanDerWaalsContact OG-CG 3.24Å; S88-E91 WeakPolarHBondContact OG-CG 3.45Å; S88-E91 PolarHBondContact OG-N 2.99Å; S88-E91 PolarHBondContact OG-OE2 3.27Å; S88-K92 WeakPolarHBondContact O-CG 3.43Å; S88-K92 PolarHBondContact O-N 3.02Å
89Y91.3Very high92.2Very high183 Ų18379.9 Ų79.972%0.71839%0.392SS*.Hα-helixtrans-59-43.8178.5-178.5-96.4000112E91 K92 E93Y89-E91 PolarHBondContact O-N 3.02Å; Y89-K92 PolarHBondContact O-N 3.11Å; Y89-E93 PolarHBondContact O-N 3.28Å
90A91.5Very high92Very high67 Ų6786.5 Ų86.555%0.55441%0.413SS*.Hα-helixtrans-63.6-41.417900000112.3S88 E93 L94S88-A90 VanDerWaalsContact C-N 3.31Å; S88-A90 PolarHBondContact O-N 2.98Å; A90-E93 PolarHBondContact O-N 3.07Å; A90-L94 WeakPolarHBondContact O-CB 3.38Å; A90-L94 PolarHBondContact O-N 3.09Å
91E92.1Very high92.1Very high58 Ų5884.1 Ų84.127%0.27141%0.411SS..Hα-helixtrans-66.2-38176.4-71.4163.2140.600112L87 S88 Y89 L94 L95 A111L87-E91 HydrophobicContact CB-CB 4.16Å; L87-E91 HydrophobicContact CD2-CB 4.34Å; S88-E91 VanDerWaalsContact CB-OE2 3.26Å; S88-E91 WeakPolarHBondContact CB-OE2 3.5Å; S88-E91 PolarHBondContact N-OE2 3.15Å; S88-E91 PolarHBondContact O-N 3.02Å; S88-E91 WeakPolarHBondContact OG-CB 3.43Å; S88-E91 VanDerWaalsContact OG-CG 3.24Å; S88-E91 WeakPolarHBondContact OG-CG 3.45Å; S88-E91 PolarHBondContact OG-N 2.99Å; S88-E91 PolarHBondContact OG-OE2 3.27Å; Y89-E91 PolarHBondContact O-N 3.02Å; E91-L94 PolarHBondContact O-N 3.39Å; E91-L95 WeakPolarHBondContact O-CB 3.17Å; E91-L95 PolarHBondContact O-N 3.36Å; E91-A111 VanDerWaalsContact OE1-CB 3.28Å; E91-A111 WeakPolarHBondContact OE1-CB 3.35Å
92K92.1Very high91.9Very high63 Ų6389.9 Ų89.927%0.27444%0.437SS..Hα-helixtrans-63-47.9175.6-72.6172.7-178.9163.20111.4L87 S88 Y89 L94 L95 E96 Q133L87-K92 HydrophobicContact CB-CD 4.44Å; L87-K92 HydrophobicContact CB-CG 3.67Å; L87-K92 HydrophobicContact CD1-CG 4.38Å; L87-K92 WeakPolarHBondContact O-CE 3.46Å; L87-K92 PolarHBondContact O-NZ 3.33Å; S88-K92 WeakPolarHBondContact O-CG 3.43Å; S88-K92 PolarHBondContact O-N 3.02Å; Y89-K92 PolarHBondContact O-N 3.11Å; K92-L94 VanDerWaalsContact C-N 3.32Å; K92-L94 PolarHBondContact O-N 3.09Å; K92-L95 PolarHBondContact O-N 3.24Å; K92-E96 WeakPolarHBondContact O-CG 3.32Å; K92-E96 PolarHBondContact O-N 2.9Å; K92-Q133 HydrophobicContact CD-CB 4.48Å
93E92.5Very high91.9Very high71 Ų7189.9 Ų89.933%0.33244%0.439SS..Hα-helixtrans-62.4-41.6179.4-174.8173.8-162.700111.4Y89 A90 E96 R97Y89-E93 PolarHBondContact O-N 3.28Å; A90-E93 PolarHBondContact O-N 3.07Å; E93-E96 PolarHBondContact O-N 2.87Å; E93-R97 VanDerWaalsContact CD-NH2 3.33Å; E93-R97 VanDerWaalsContact O-CG 3.25Å; E93-R97 WeakPolarHBondContact O-CG 3.48Å; E93-R97 PolarHBondContact O-N 3.24Å; E93-R97 IonicContact OE1-CZ 3.85Å; E93-R97 IonicContact OE1-NE 3.1Å; E93-R97 IonicContact OE1-NH2 3.39Å; E93-R97 PolarHBondContact OE1-NH2 3.48Å
94L92.5Very high91.9Very high77 Ų7781.7 Ų81.740%0.40340%0.404SS..Hα-helixtrans-61.9-47.7173.5-177.361.6000111.2A90 E91 K92 E96 R97 E98 V107A90-L94 WeakPolarHBondContact O-CB 3.38Å; A90-L94 PolarHBondContact O-N 3.09Å; E91-L94 PolarHBondContact O-N 3.39Å; K92-L94 VanDerWaalsContact C-N 3.32Å; K92-L94 PolarHBondContact O-N 3.09Å; L94-E96 VanDerWaalsContact C-N 3.28Å; L94-E96 PolarHBondContact O-N 3.05Å; L94-R97 PolarHBondContact O-N 3.49Å; L94-R97 VanDerWaalsContact O-N 3.13Å; L94-E98 HydrophobicContact CD1-CG 4.3Å; L94-E98 HydrophobicContact CG-CG 4.49Å; L94-E98 WeakPolarHBondContact O-CG 3.08Å; L94-E98 PolarHBondContact O-N 2.88Å; L94-V107 HydrophobicContact CD2-CG1 4.11Å; L94-V107 HydrophobicContact CD2-CG2 3.77Å; L94-V107 HydrophobicContact CG-CG1 4.38Å; L94-V107 HydrophobicContact CG-CG2 3.88Å
95L92.3Very high91.9Very high7 Ų777.7 Ų77.74%0.03739%0.385CS..Hα-helixtrans-62.4-33.3-178.8-166.874.9000113.1L87 E91 K92 H104 V107 L108 Y128L87-L95 HydrophobicContact CD1-CD2 3.66Å; E91-L95 WeakPolarHBondContact O-CB 3.17Å; E91-L95 PolarHBondContact O-N 3.36Å; K92-L95 PolarHBondContact O-N 3.24Å; L95-H104 WeakPolarHBondContact CD1-CE1 3.34Å; L95-H104 VanDerWaalsContact CD1-ND1 3.33Å; L95-H104 WeakPolarHBondContact CD1-ND1 3.43Å; L95-H104 WeakPolarHBondContact CD1-O 3.31Å; L95-H104 WeakPolarHBondContact CG-CE1 3.08Å; L95-H104 PolarHBondContact O-ND1 3.44Å; L95-V107 HydrophobicContact CB-CG1 4.35Å; L95-V107 HydrophobicContact CD1-CB 3.95Å; L95-V107 HydrophobicContact CD1-CG1 3.95Å; L95-L108 HydrophobicContact CD1-CD1 4.45Å; L95-L108 HydrophobicContact CD1-CD2 3.97Å; L95-L108 HydrophobicContact CD1-CG 3.83Å; L95-L108 HydrophobicContact CD2-CD2 3.97Å; L95-Y128 HydrophobicContact CD2-CE1 3.91Å; L95-Y128 HydrophobicContact CD2-CE2 4.21Å
96E90.7Very high91.8Very high151 Ų15182.1 Ų82.171%0.70641%0.405SS*.Hα-helixtrans-73.1-30.9175.9-76-178.317300113K92 E93 L94K92-E96 WeakPolarHBondContact O-CG 3.32Å; K92-E96 PolarHBondContact O-N 2.9Å; E93-E96 PolarHBondContact O-N 2.87Å; L94-E96 VanDerWaalsContact C-N 3.28Å; L94-E96 PolarHBondContact O-N 3.05Å
97R91.6Very high91.7Very high178 Ų17879.2 Ų79.267%0.67239%0.393SS*.Hα-helixtrans-78.1-34.9177.8-69.9169.4-178-166.91.9112.5E93 L94E93-R97 VanDerWaalsContact CD-NH2 3.33Å; E93-R97 VanDerWaalsContact O-CG 3.25Å; E93-R97 WeakPolarHBondContact O-CG 3.48Å; E93-R97 PolarHBondContact O-N 3.24Å; E93-R97 IonicContact OE1-CZ 3.85Å; E93-R97 IonicContact OE1-NE 3.1Å; E93-R97 IonicContact OE1-NH2 3.39Å; E93-R97 PolarHBondContact OE1-NH2 3.48Å; L94-R97 PolarHBondContact O-N 3.49Å; L94-R97 VanDerWaalsContact O-N 3.13Å
98E91.6Very high91.9Very high73 Ų7378.9 Ų78.934%0.34139%0.391SS..SBendtrans-72.3137.5-177.9-69.2-58.4150.400112.4L94 A103 V107L94-E98 HydrophobicContact CD1-CG 4.3Å; L94-E98 HydrophobicContact CG-CG 4.49Å; L94-E98 WeakPolarHBondContact O-CG 3.08Å; L94-E98 PolarHBondContact O-N 2.88Å; E98-A103 HydrophobicContact CB-CB 4.45Å; E98-A103 WeakPolarHBondContact OE2-CB 3.46Å; E98-V107 HydrophobicContact CG-CG2 4.22Å
99P89.5Confident92Very high92 Ų9280.3 Ų80.360%0.59739%0.388SS*.PPolyproline II helixtrans-64.1145.8175.128.2-33.7000110.6G101 H104P99-G101 PolarHBondContact O-N 3.29Å; P99-H104 WeakPolarHBondContact O-CB 3.5Å
100R87.8Confident92.2Very high206 Ų20680.4 Ų80.478%0.77739%0.387SS*.THydrogen-bonded Turntrans-60.8123.3175.2-68.4-166.8178-146.9-7.6109.8D130R100-D130 IonicContact NH2-OD1 3.55Å
101G89.6Confident92.2Very high41 Ų4178 Ų7842%0.42337%0.367SS..THydrogen-bonded Turntrans152.4-148-176.200000111.1P99 H104 Q105P99-G101 PolarHBondContact O-N 3.29Å; G101-H104 PolarHBondContact O-N 2.92Å; G101-Q105 PolarHBondContact O-N 3.2Å; G101-Q105 VanDerWaalsContact O-N 3.07Å
102E91.6Very high92.3Very high132 Ų13275.7 Ų75.762%0.61736%0.358SS*.Hα-helixtrans-63.8-40.9-178.8-75.4-56.8139.500113.3H104 Q105 E106 R109E102-H104 PolarHBondContact O-N 3.08Å; E102-Q105 CarbonylContact O-C 3.55Å; E102-Q105 PolarHBondContact O-N 2.91Å; E102-Q105 VanDerWaalsContact O-N 3.09Å; E102-E106 PolarHBondContact O-N 3.41Å; E102-R109 IonicContact OE2-CZ 3.85Å; E102-R109 IonicContact OE2-NH1 3.98Å; E102-R109 PolarHBondContact OE2-NH1 3.1Å; E102-R109 IonicContact OE2-NH2 3.86Å; E102-R109 PolarHBondContact OE2-NH2 2.97Å
103A91.5Very high92.3Very high39 Ų3980.5 Ų80.532%0.32238%0.379SS..Hα-helixtrans-60.2-46.4178.900000111.8E98 Q105 E106 V107E98-A103 HydrophobicContact CB-CB 4.45Å; E98-A103 WeakPolarHBondContact OE2-CB 3.46Å; A103-Q105 VanDerWaalsContact C-N 3.32Å; A103-Q105 PolarHBondContact O-N 2.91Å; A103-E106 WeakPolarHBondContact O-CB 3.49Å; A103-E106 PolarHBondContact O-N 2.88Å; A103-E106 VanDerWaalsContact O-N 3.16Å; A103-V107 PolarHBondContact O-N 3.26Å
104H92.6Very high92.2Very high22 Ų2284.1 Ų84.110%0.10240%0.401CS..Hα-helixtrans-60-40.1173-175.9101.1000112.4L95 P99 G101 E102 E106 L108L95-H104 WeakPolarHBondContact CD1-CE1 3.34Å; L95-H104 VanDerWaalsContact CD1-ND1 3.33Å; L95-H104 WeakPolarHBondContact CD1-ND1 3.43Å; L95-H104 WeakPolarHBondContact CD1-O 3.31Å; L95-H104 WeakPolarHBondContact CG-CE1 3.08Å; L95-H104 PolarHBondContact O-ND1 3.44Å; P99-H104 WeakPolarHBondContact O-CB 3.5Å; G101-H104 PolarHBondContact O-N 2.92Å; E102-H104 PolarHBondContact O-N 3.08Å; H104-E106 VanDerWaalsContact C-N 3.34Å; H104-L108 WeakPolarHBondContact O-CG 3.31Å; H104-L108 PolarHBondContact O-N 2.73Å
105Q94.3Very high92.2Very high31 Ų3181.4 Ų81.415%0.14539%0.386CS..Hα-helixtrans-68.2-32.8175.6-74.4-58.6-50.400112.8G101 E102 A103 L108 R109 A125G101-Q105 PolarHBondContact O-N 3.2Å; G101-Q105 VanDerWaalsContact O-N 3.07Å; E102-Q105 CarbonylContact O-C 3.55Å; E102-Q105 PolarHBondContact O-N 2.91Å; E102-Q105 VanDerWaalsContact O-N 3.09Å; A103-Q105 VanDerWaalsContact C-N 3.32Å; A103-Q105 PolarHBondContact O-N 2.91Å; Q105-L108 CarbonylContact O-C 3.6Å; Q105-L108 PolarHBondContact O-N 2.77Å; Q105-R109 WeakPolarHBondContact O-CB 3.18Å; Q105-R109 VanDerWaalsContact O-CG 3.28Å; Q105-R109 WeakPolarHBondContact O-CG 3.34Å; Q105-R109 PolarHBondContact O-N 3.22Å; Q105-A125 HydrophobicContact CG-CB 4.31Å; Q105-A125 VanDerWaalsContact OE1-CB 3.32Å
106E93.8Very high92.3Very high94 Ų9483 Ų8344%0.43940%0.397SS..Hα-helixtrans-66.4-39.8178.7-169.453.7-150.300112.2E102 A103 H104 L108 R109 R110E102-E106 PolarHBondContact O-N 3.41Å; A103-E106 WeakPolarHBondContact O-CB 3.49Å; A103-E106 PolarHBondContact O-N 2.88Å; A103-E106 VanDerWaalsContact O-N 3.16Å; H104-E106 VanDerWaalsContact C-N 3.34Å; E106-L108 VanDerWaalsContact C-N 3.33Å; E106-L108 PolarHBondContact O-N 2.89Å; E106-R109 PolarHBondContact O-N 3.39Å; E106-R109 IonicContact OE2-NH1 3.23Å; E106-R109 PolarHBondContact OE2-NH1 2.62Å; E106-R109 VanDerWaalsContact OE2-NH1 3.1Å; E106-R110 WeakPolarHBondContact O-CB 3.44Å; E106-R110 PolarHBondContact O-N 2.88Å
107V93.9Very high92.5Very high15 Ų1576.3 Ų76.39%0.09137%0.366CS..Hα-helixtrans-58.2-47.3171.2178.80000110.6L94 L95 E98 A103 R109 R110 A111L94-V107 HydrophobicContact CD2-CG1 4.11Å; L94-V107 HydrophobicContact CD2-CG2 3.77Å; L94-V107 HydrophobicContact CG-CG1 4.38Å; L94-V107 HydrophobicContact CG-CG2 3.88Å; L95-V107 HydrophobicContact CB-CG1 4.35Å; L95-V107 HydrophobicContact CD1-CB 3.95Å; L95-V107 HydrophobicContact CD1-CG1 3.95Å; E98-V107 HydrophobicContact CG-CG2 4.22Å; A103-V107 PolarHBondContact O-N 3.26Å; V107-R109 PolarHBondContact O-N 3.13Å; V107-R110 PolarHBondContact O-N 3.01Å; V107-A111 WeakPolarHBondContact O-CB 3.26Å; V107-A111 PolarHBondContact O-N 3.47Å
108L95.4Very high92.6Very high0 Ų070.8 Ų70.80%035%0.346CS..Hα-helixtrans-66.3-36.6178.6-65.9173.5000112.9L87 L95 H104 Q105 E106 A112 I126 Y128 I135L87-L108 HydrophobicContact CD1-CD2 4.2Å; L95-L108 HydrophobicContact CD1-CD1 4.45Å; L95-L108 HydrophobicContact CD1-CD2 3.97Å; L95-L108 HydrophobicContact CD1-CG 3.83Å; L95-L108 HydrophobicContact CD2-CD2 3.97Å; H104-L108 WeakPolarHBondContact O-CG 3.31Å; H104-L108 PolarHBondContact O-N 2.73Å; Q105-L108 CarbonylContact O-C 3.6Å; Q105-L108 PolarHBondContact O-N 2.77Å; E106-L108 VanDerWaalsContact C-N 3.33Å; E106-L108 PolarHBondContact O-N 2.89Å; L108-A112 WeakPolarHBondContact O-CB 3.2Å; L108-A112 PolarHBondContact O-N 3.31Å; L108-I126 HydrophobicContact CB-CB 3.95Å; L108-I126 HydrophobicContact CB-CG1 4.23Å; L108-I126 HydrophobicContact CB-CG2 4.04Å; L108-Y128 HydrophobicContact CD1-CG 4.13Å; L108-Y128 HydrophobicContact CD2-CD2 3.7Å; L108-Y128 HydrophobicContact CD2-CE2 4.14Å; L108-Y128 HydrophobicContact CD2-CG 4.01Å; L108-I135 HydrophobicContact CD2-CG1 4.37Å
109R94.9Very high92.8Very high87 Ų8767.5 Ų67.533%0.32833%0.33SS..Hα-helixtrans-65.2-42.9176.1-74.6177.9-160.8119.1-0.6110.8E102 Q105 E106 V107 A112 K113 I126E102-R109 IonicContact OE2-CZ 3.85Å; E102-R109 IonicContact OE2-NH1 3.98Å; E102-R109 PolarHBondContact OE2-NH1 3.1Å; E102-R109 IonicContact OE2-NH2 3.86Å; E102-R109 PolarHBondContact OE2-NH2 2.97Å; Q105-R109 WeakPolarHBondContact O-CB 3.18Å; Q105-R109 VanDerWaalsContact O-CG 3.28Å; Q105-R109 WeakPolarHBondContact O-CG 3.34Å; Q105-R109 PolarHBondContact O-N 3.22Å; E106-R109 PolarHBondContact O-N 3.39Å; E106-R109 IonicContact OE2-NH1 3.23Å; E106-R109 PolarHBondContact OE2-NH1 2.62Å; E106-R109 VanDerWaalsContact OE2-NH1 3.1Å; V107-R109 PolarHBondContact O-N 3.13Å; R109-A112 PolarHBondContact O-N 3.41Å; R109-K113 PolarHBondContact O-N 3.48Å; R109-K113 VanDerWaalsContact O-N 3.16Å; R109-I126 HydrophobicContact CB-CG1 4.49Å; R109-I126 HydrophobicContact CG-CD1 4.28Å; R109-I126 HydrophobicContact CG-CG1 3.79Å
110R93.9Very high93.1Very high184 Ų18465.1 Ų65.169%0.69431%0.309SS*.Hα-helixtrans-60.8-49.4175.2-176-177.2-117.2113-3.2111.1E106 V107 A112 K113E106-R110 WeakPolarHBondContact O-CB 3.44Å; E106-R110 PolarHBondContact O-N 2.88Å; V107-R110 PolarHBondContact O-N 3.01Å; R110-A112 VanDerWaalsContact C-N 3.29Å; R110-A112 PolarHBondContact O-N 3.35Å; R110-K113 VanDerWaalsContact O-CB 3.28Å; R110-K113 WeakPolarHBondContact O-CB 3.42Å; R110-K113 PolarHBondContact O-N 3.31Å
111A93.3Very high93.4Very high17 Ų1757.4 Ų57.414%0.1429%0.285CS..Hα-helixtrans-64.9-31178.400000112.9L87 E91 V107 I135L87-A111 HydrophobicContact CD2-CB 3.74Å; E91-A111 VanDerWaalsContact OE1-CB 3.28Å; E91-A111 WeakPolarHBondContact OE1-CB 3.35Å; V107-A111 WeakPolarHBondContact O-CB 3.26Å; V107-A111 PolarHBondContact O-N 3.47Å; A111-I135 HydrophobicContact CB-CD1 3.71Å
112A94.1Very high93.5Very high9 Ų961.9 Ų61.97%0.07430%0.297CS..THydrogen-bonded Turntrans-81.6-8.3177.900000114.5L108 R109 R110 D114 L115 I126 I135L108-A112 WeakPolarHBondContact O-CB 3.2Å; L108-A112 PolarHBondContact O-N 3.31Å; R109-A112 PolarHBondContact O-N 3.41Å; R110-A112 VanDerWaalsContact C-N 3.29Å; R110-A112 PolarHBondContact O-N 3.35Å; A112-D114 VanDerWaalsContact C-N 3.27Å; A112-D114 PolarHBondContact O-N 2.88Å; A112-L115 PolarHBondContact O-N 3.5Å; A112-L115 VanDerWaalsContact O-N 3.08Å; A112-I126 HydrophobicContact CB-CD1 3.96Å; A112-I126 HydrophobicContact CB-CG2 4.36Å; A112-I135 HydrophobicContact CB-CD1 4Å; A112-I135 HydrophobicContact CB-CG2 4.46Å
113K91Very high93.5Very high165 Ų16560.6 Ų60.672%0.71730%0.303SS*.THydrogen-bonded Turntrans-56.6-41.3-169.3-175.4-177.1176.1-174.10112.6R109 R110R109-K113 PolarHBondContact O-N 3.48Å; R109-K113 VanDerWaalsContact O-N 3.16Å; R110-K113 VanDerWaalsContact O-CB 3.28Å; R110-K113 WeakPolarHBondContact O-CB 3.42Å; R110-K113 PolarHBondContact O-N 3.31Å
114D89.5Confident93.5Very high147 Ų14760.8 Ų60.879%0.78631%0.308SS*.THydrogen-bonded Turntrans-97.47.7-176-55-40.6000112.6A112A112-D114 VanDerWaalsContact C-N 3.27Å; A112-D114 PolarHBondContact O-N 2.88Å
115L94.3Very high93.6Very high20 Ų2060.4 Ų60.411%0.10531%0.309CS..SBendtrans-95.7143.3178.8-61-179.4000111.4E84 F85 A112 I117 I135E84-L115 HydrophobicContact CB-CD2 4.21Å; E84-L115 HydrophobicContact CG-CD2 4.01Å; F85-L115 HydrophobicContact CD1-CD1 3.85Å; F85-L115 HydrophobicContact CE1-CB 4.3Å; F85-L115 HydrophobicContact CE1-CD1 4.23Å; F85-L115 HydrophobicContact CG-CD1 4.43Å; A112-L115 PolarHBondContact O-N 3.5Å; A112-L115 VanDerWaalsContact O-N 3.08Å; L115-I117 HydrophobicContact CB-CD1 3.72Å; L115-I117 HydrophobicContact CB-CG1 3.83Å; L115-I117 HydrophobicContact CD1-CD1 3.88Å; L115-I117 HydrophobicContact CG-CD1 4.48Å; L115-I117 PolarHBondContact O-N 3.26Å; L115-I135 HydrophobicContact CD1-CB 4.22Å; L115-I135 HydrophobicContact CD1-CD1 4.11Å; L115-I135 HydrophobicContact CD1-CG2 4.34Å
116P93.6Very high93.7Very high40 Ų4059.2 Ų59.226%0.2630%0.304SS..  trans-7766.7179.433.2-36.5000111.7F85F85-P116 HydrophobicContact CZ-CG 4.23Å
117I94.4Very high93.9Very high10 Ų1056.1 Ų56.15%0.05129%0.288CS..  trans-119.7110.2-174.3-54.9175.1000111.3F85 L115 R120 I135 D138F85-I117 HydrophobicContact CD1-CD1 4.12Å; F85-I117 HydrophobicContact CE1-CD1 3.82Å; F85-I117 HydrophobicContact CE1-CG1 3.83Å; L115-I117 HydrophobicContact CB-CD1 3.72Å; L115-I117 HydrophobicContact CB-CG1 3.83Å; L115-I117 HydrophobicContact CD1-CD1 3.88Å; L115-I117 HydrophobicContact CG-CD1 4.48Å; L115-I117 PolarHBondContact O-N 3.26Å; I117-R120 PolarHBondContact O-NH1 3.32Å; I117-I135 HydrophobicContact CD1-CB 4.48Å; I117-I135 HydrophobicContact CD1-CG2 3.39Å; I117-D138 WeakPolarHBondContact CG2-OD1 3.11Å
118Y93.8Very high94Very high63 Ų6356.5 Ų56.525%0.24729%0.288CS..  trans-99.7-16.5-178.6-50.8-76.8000112.9D138 T295Y118-D138 WeakPolarHBondContact CB-OD2 3.45Å; Y118-D138 VanDerWaalsContact CD2-OD2 3.27Å; Y118-D138 WeakPolarHBondContact CD2-OD2 3.49Å; Y118-D138 PolarHBondContact N-OD1 2.87Å; Y118-D138 PolarHBondContact N-OD2 2.93Å; Y118-T295 HydrophobicContact CD2-CG2 4.16Å; Y118-T295 HydrophobicContact CG-CG2 4.42Å
119T95.9Very high94.1Very high3 Ų356.8 Ų56.82%0.01829%0.289CS..EExtended strand (participates in β ladder)trans-99.6155.4-177.769.10000114.2R127 D138 P249 V250 F251 F260T119-R127 WeakPolarHBondContact OG1-CD 3.37Å; T119-R127 PolarHBondContact OG1-NH1 2.84Å; T119-D138 VanDerWaalsContact CB-OD1 3.28Å; T119-D138 WeakPolarHBondContact CB-OD1 3.39Å; T119-D138 HydrophobicContact CG2-CB 4.41Å; T119-D138 WeakPolarHBondContact CG2-OD1 3.48Å; T119-D138 PolarHBondContact N-OD1 3.02Å; T119-D138 PolarHBondContact OG1-OD1 2.95Å; T119-P249 HydrophobicContact CG2-CB 4.08Å; T119-V250 CarbonylContact C-O 3.44Å; T119-V250 WeakPolarHBondContact CA-O 3.12Å; T119-V250 WeakPolarHBondContact CB-O 3.5Å; T119-F251 HydrophobicContact CG2-CD1 4.2Å; T119-F251 HydrophobicContact CG2-CE1 3.92Å; T119-F251 HydrophobicContact CG2-CZ 4.2Å; T119-F260 HydrophobicContact CG2-CE2 4.23Å; T119-F260 HydrophobicContact CG2-CZ 3.74Å
120R95.6Very high94Very high42 Ų4256.5 Ų56.516%0.15829%0.294CS..EExtended strand (participates in β ladder)trans-133172.9-179.8-62.1-62.6179.7-90.96.2111.3I117 A125 V250I117-R120 PolarHBondContact O-NH1 3.32Å; R120-A125 WeakPolarHBondContact CA-O 3.43Å; R120-A125 WeakPolarHBondContact CB-O 3.34Å; R120-A125 WeakPolarHBondContact CD-O 3.49Å; R120-V250 PolarHBondContact N-O 2.94Å
121T95.1Very high94Very high45 Ų4555.7 Ų55.728%0.27629%0.291SS..  trans-69.8171.216769.70000110.4S123 G124 A125 R127T121-S123 PolarHBondContact O-N 3.41Å; T121-S123 PolarHBondContact OG1-N 3Å; T121-S123 PolarHBondContact OG1-OG 2.92Å; T121-G124 PolarHBondContact O-N 3.35Å; T121-A125 HydrophobicContact CG2-CB 4.16Å; T121-A125 PolarHBondContact N-O 3.48Å; T121-A125 WeakPolarHBondContact OG1-CB 3.36Å; T121-A125 PolarHBondContact OG1-N 2.79Å; T121-R127 HydrophobicContact CG2-CG 4.04Å
122M91.2Very high94.1Very high135 Ų13556.4 Ų56.467%0.66530%0.295SS*.THydrogen-bonded Turntrans-58.4-25.5172.8-67-61.8-168.600113.5G124 V250M122-G124 VanDerWaalsContact C-N 3.34Å; M122-V250 HydrophobicContact CE-CG2 4.4Å; M122-V250 HydrophobicContact SD-CG2 3.4Å; M122-V250 WeakPolarHBondContact SD-CG2 3.38Å
123S91.8Very high94.1Very high105 Ų10558.4 Ų58.473%0.73430%0.303SS*.THydrogen-bonded Turntrans-90.36.8176.163.20000113.5T121 A125T121-S123 PolarHBondContact O-N 3.41Å; T121-S123 PolarHBondContact OG1-N 3Å; T121-S123 PolarHBondContact OG1-OG 2.92Å; S123-A125 VanDerWaalsContact C-N 3.27Å; S123-A125 PolarHBondContact O-N 3.42Å
124G91.8Very high94.4Very high43 Ų4350.7 Ų50.744%0.44327%0.27SS..SBendtrans79.11.6-176.700000115.2T121 M122T121-G124 PolarHBondContact O-N 3.35Å; M122-G124 VanDerWaalsContact C-N 3.34Å
125A94.3Very high94.8Very high14 Ų1443.7 Ų43.712%0.11623%0.232CC..  trans-73.5160.2-179.500000113Q105 R120 T121 S123 R127Q105-A125 HydrophobicContact CG-CB 4.31Å; Q105-A125 VanDerWaalsContact OE1-CB 3.32Å; R120-A125 WeakPolarHBondContact CA-O 3.43Å; R120-A125 WeakPolarHBondContact CB-O 3.34Å; R120-A125 WeakPolarHBondContact CD-O 3.49Å; T121-A125 HydrophobicContact CG2-CB 4.16Å; T121-A125 PolarHBondContact N-O 3.48Å; T121-A125 WeakPolarHBondContact OG1-CB 3.36Å; T121-A125 PolarHBondContact OG1-N 2.79Å; S123-A125 VanDerWaalsContact C-N 3.27Å; S123-A125 PolarHBondContact O-N 3.42Å; A125-R127 PolarHBondContact O-N 2.55Å
126I96.1Very high94.9Very high6 Ų645 Ų453%0.03124%0.237CC..  trans-66.7132.5172.8-63.1-65000109.3L108 R109 A112 Y128 I135L108-I126 HydrophobicContact CB-CB 3.95Å; L108-I126 HydrophobicContact CB-CG1 4.23Å; L108-I126 HydrophobicContact CB-CG2 4.04Å; R109-I126 HydrophobicContact CB-CG1 4.49Å; R109-I126 HydrophobicContact CG-CD1 4.28Å; R109-I126 HydrophobicContact CG-CG1 3.79Å; A112-I126 HydrophobicContact CB-CD1 3.96Å; A112-I126 HydrophobicContact CB-CG2 4.36Å; I126-Y128 PolarHBondContact O-N 3.29Å; I126-I135 HydrophobicContact CG2-CG2 3.72Å
127R97Very high95.1Very high29 Ų2943 Ų4311%0.10923%0.225CC..  trans-74.9100-179.6-66170.366.6-123.1-6.8109T119 T121 A125 K136 P137 C140T119-R127 WeakPolarHBondContact OG1-CD 3.37Å; T119-R127 PolarHBondContact OG1-NH1 2.84Å; T121-R127 HydrophobicContact CG2-CG 4.04Å; A125-R127 PolarHBondContact O-N 2.55Å; R127-K136 HydrophobicContact CB-CB 4.14Å; R127-K136 HydrophobicContact CB-CD 4.38Å; R127-K136 WeakPolarHBondContact O-CB 3.21Å; R127-K136 PolarHBondContact O-N 3.38Å; R127-P137 PolarHBondContact NH1-O 2.9Å; R127-C140 PolarHBondContact NH2-O 2.64Å
128Y96.9Very high95.3Very high23 Ų2342.6 Ų42.69%0.0922%0.222CC..EExtended strand (participates in β ladder)trans-108155.5-179.4179.4-114.5000112.8L87 L95 L108 I126 D130 Q133 L134 K136L87-Y128 HydrophobicContact CD1-CE2 3.61Å; L87-Y128 HydrophobicContact CG-CE2 4.31Å; L95-Y128 HydrophobicContact CD2-CE1 3.91Å; L95-Y128 HydrophobicContact CD2-CE2 4.21Å; L108-Y128 HydrophobicContact CD1-CG 4.13Å; L108-Y128 HydrophobicContact CD2-CD2 3.7Å; L108-Y128 HydrophobicContact CD2-CE2 4.14Å; L108-Y128 HydrophobicContact CD2-CG 4.01Å; I126-Y128 PolarHBondContact O-N 3.29Å; Y128-D130 HydrophobicContact CE1-CB 4.4Å; Y128-Q133 WeakPolarHBondContact OH-CA 3.44Å; Y128-Q133 PolarHBondContact OH-NE2 3.33Å; Y128-Q133 PolarHBondContact OH-OE1 2.94Å; Y128-L134 WeakPolarHBondContact CD2-O 3.27Å; Y128-K136 WeakPolarHBondContact O-CE 2.97Å; Y128-K136 PolarHBondContact O-NZ 3.42Å
129C97Very high95.5Very high5 Ų539.7 Ų39.73%0.03421%0.211CC..EExtended strand (participates in β ladder)trans-117.6107.6170.8-170.80000111.4R131 C132 Q133 L134 K136C129-R131 VanDerWaalsContact C-N 3.28Å; C129-R131 PolarHBondContact O-N 2.85Å; C129-C132 HydrophobicContact CB-CB 4.21Å; C129-C132 PolarHBondContact O-N 2.96Å; C129-Q133 VanDerWaalsContact O-CA 3.32Å; C129-Q133 WeakPolarHBondContact O-CA 3.45Å; C129-Q133 PolarHBondContact O-N 3.43Å; C129-L134 HydrophobicContact CB-CD1 4.46Å; C129-L134 HydrophobicContact CB-CG 4.45Å; C129-L134 PolarHBondContact N-O 3.33Å; C129-K136 HydrophobicContact CB-CG 4.2Å
130D93.8Very high95.6Very high81 Ų8139.6 Ų39.643%0.43321%0.21SC..THydrogen-bonded Turntrans-63.9-29.9177.2-54.6-84.2000113.7R100 Y128 Q133R100-D130 IonicContact NH2-OD1 3.55Å; Y128-D130 HydrophobicContact CE1-CB 4.4Å; D130-Q133 PolarHBondContact O-NE2 3.3Å
131R93.9Very high95.7Very high167 Ų16740.3 Ų40.363%0.6322%0.215SC*.THydrogen-bonded Turntrans-75.5-41.7-178.8-67.4-174.3-176-162.13.3112.4C129 H142 D147C129-R131 VanDerWaalsContact C-N 3.28Å; C129-R131 PolarHBondContact O-N 2.85Å; R131-H142 WeakPolarHBondContact CD-NE2 3.48Å; R131-D147 IonicContact NH1-OD1 3.38Å
132C94.9Very high95.9Very high33 Ų3340.1 Ų40.122%0.22321%0.211CC..THydrogen-bonded Turntrans-92.8-9.7-178.1-59.80000112.8C129 L134 H142C129-C132 HydrophobicContact CB-CB 4.21Å; C129-C132 PolarHBondContact O-N 2.96Å; C132-L134 VanDerWaalsContact C-N 3.33Å; C132-L134 HydrophobicContact CB-CD2 3.58Å; C132-L134 HydrophobicContact CB-CG 3.8Å; C132-L134 PolarHBondContact O-N 3.29Å; C132-H142 PolarHBondContact SG-ND1 3.13Å
133Q94.7Very high96.2Very high50 Ų5034 Ų3423%0.23418%0.181CC..THydrogen-bonded Turntrans52.349.1-178.3-60.9-77.7-49.900112.6L87 K92 Y128 C129 D130L87-Q133 PolarHBondContact N-O 2.9Å; K92-Q133 HydrophobicContact CD-CB 4.48Å; Y128-Q133 WeakPolarHBondContact OH-CA 3.44Å; Y128-Q133 PolarHBondContact OH-NE2 3.33Å; Y128-Q133 PolarHBondContact OH-OE1 2.94Å; C129-Q133 VanDerWaalsContact O-CA 3.32Å; C129-Q133 WeakPolarHBondContact O-CA 3.45Å; C129-Q133 PolarHBondContact O-N 3.43Å; D130-Q133 PolarHBondContact O-NE2 3.3Å
134L96.1Very high96.3Very high3 Ų332.5 Ų32.52%0.01617%0.171CC..EExtended strand (participates in β ladder)trans-140.2150.8-178.767.583.6000111.3P81 F85 Y128 C129 C132 K136 C149P81-L134 HydrophobicContact CB-CD1 4.5Å; P81-L134 HydrophobicContact CB-CD2 4.27Å; P81-L134 HydrophobicContact CG-CD1 4.13Å; P81-L134 HydrophobicContact CG-CD2 3.97Å; F85-L134 CarbonylContact O-C 3.51Å; F85-L134 WeakPolarHBondContact O-CA 3.49Å; F85-L134 VanDerWaalsContact O-CB 3.32Å; F85-L134 WeakPolarHBondContact O-CB 3.34Å; Y128-L134 WeakPolarHBondContact CD2-O 3.27Å; C129-L134 HydrophobicContact CB-CD1 4.46Å; C129-L134 HydrophobicContact CB-CG 4.45Å; C129-L134 PolarHBondContact N-O 3.33Å; C132-L134 VanDerWaalsContact C-N 3.33Å; C132-L134 HydrophobicContact CB-CD2 3.58Å; C132-L134 HydrophobicContact CB-CG 3.8Å; C132-L134 PolarHBondContact O-N 3.29Å; L134-K136 HydrophobicContact CD1-CG 4.32Å; L134-C149 HydrophobicContact CD1-CB 4.33Å; L134-C149 HydrophobicContact CD2-CB 4.21Å
135I97.9Very high96.3Very high1 Ų133 Ų331%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-76.3125.3168.9-57.9178.7000107F85 L87 L108 A111 A112 L115 I117 I126 P137F85-I135 WeakPolarHBondContact CB-O 3.16Å; F85-I135 WeakPolarHBondContact CD1-O 3.36Å; F85-I135 PolarHBondContact O-N 3.06Å; L87-I135 HydrophobicContact CD2-CD1 3.91Å; L87-I135 HydrophobicContact CD2-CG1 3.96Å; L108-I135 HydrophobicContact CD2-CG1 4.37Å; A111-I135 HydrophobicContact CB-CD1 3.71Å; A112-I135 HydrophobicContact CB-CD1 4Å; A112-I135 HydrophobicContact CB-CG2 4.46Å; L115-I135 HydrophobicContact CD1-CB 4.22Å; L115-I135 HydrophobicContact CD1-CD1 4.11Å; L115-I135 HydrophobicContact CD1-CG2 4.34Å; I117-I135 HydrophobicContact CD1-CB 4.48Å; I117-I135 HydrophobicContact CD1-CG2 3.39Å; I126-I135 HydrophobicContact CG2-CG2 3.72Å; I135-P137 VanDerWaalsContact O-CD 3.28Å; I135-P137 WeakPolarHBondContact O-CD 3.2Å
136K98Very high96.3Very high46 Ų4634 Ų3420%0.217%0.171CC..PPolyproline II helixtrans-72.8124.1-175.3-66171.1178.8152.70109.1R127 Y128 C129 L134R127-K136 HydrophobicContact CB-CB 4.14Å; R127-K136 HydrophobicContact CB-CD 4.38Å; R127-K136 WeakPolarHBondContact O-CB 3.21Å; R127-K136 PolarHBondContact O-N 3.38Å; Y128-K136 WeakPolarHBondContact O-CE 2.97Å; Y128-K136 PolarHBondContact O-NZ 3.42Å; C129-K136 HydrophobicContact CB-CG 4.2Å; L134-K136 HydrophobicContact CD1-CG 4.32Å
137P97.9Very high96.2Very high0 Ų038.7 Ų38.70%020%0.196CC..PPolyproline II helixtrans-53.8162.3164.5-19.527000111.7P81 F85 R127 I135 R139 C140 L151 C291P81-P137 HydrophobicContact CB-CG 3.94Å; P81-P137 HydrophobicContact CG-CG 4.22Å; F85-P137 HydrophobicContact CD1-CB 4.14Å; F85-P137 HydrophobicContact CD1-CG 3.56Å; F85-P137 HydrophobicContact CD2-CG 3.99Å; F85-P137 HydrophobicContact CE1-CB 3.71Å; F85-P137 HydrophobicContact CE1-CG 3.62Å; F85-P137 HydrophobicContact CE2-CG 4.07Å; F85-P137 HydrophobicContact CG-CG 3.75Å; F85-P137 HydrophobicContact CZ-CB 3.92Å; F85-P137 HydrophobicContact CZ-CG 3.89Å; R127-P137 PolarHBondContact NH1-O 2.9Å; I135-P137 VanDerWaalsContact O-CD 3.28Å; I135-P137 WeakPolarHBondContact O-CD 3.2Å; P137-R139 PolarHBondContact O-N 2.88Å; P137-C140 HydrophobicContact CB-CB 4.06Å; P137-C140 HydrophobicContact CG-CB 4.17Å; P137-C140 VanDerWaalsContact O-CB 3.27Å; P137-C140 WeakPolarHBondContact O-CB 3.49Å; P137-C140 PolarHBondContact O-N 3.44Å; P137-C140 VanDerWaalsContact O-N 3.13Å; P137-L151 HydrophobicContact CB-CD2 4.25Å; P137-L151 HydrophobicContact CG-CD2 3.83Å; P137-C291 HydrophobicContact CB-CB 4.4Å; P137-C291 WeakPolarHBondContact CB-O 3.33Å
138D97.6Very high96.2Very high0 Ų039.7 Ų39.70%020%0.201CC..THydrogen-bonded Turntrans-56.2141.1172.7-74.7-19.7000110.2I117 Y118 T119 C140 F260 F293I117-D138 WeakPolarHBondContact CG2-OD1 3.11Å; Y118-D138 WeakPolarHBondContact CB-OD2 3.45Å; Y118-D138 VanDerWaalsContact CD2-OD2 3.27Å; Y118-D138 WeakPolarHBondContact CD2-OD2 3.49Å; Y118-D138 PolarHBondContact N-OD1 2.87Å; Y118-D138 PolarHBondContact N-OD2 2.93Å; T119-D138 VanDerWaalsContact CB-OD1 3.28Å; T119-D138 WeakPolarHBondContact CB-OD1 3.39Å; T119-D138 HydrophobicContact CG2-CB 4.41Å; T119-D138 WeakPolarHBondContact CG2-OD1 3.48Å; T119-D138 PolarHBondContact N-OD1 3.02Å; T119-D138 PolarHBondContact OG1-OD1 2.95Å; D138-C140 PolarHBondContact O-N 3.48Å; D138-F260 HydrophobicContact CB-CE1 4.45Å; D138-F260 HydrophobicContact CB-CZ 4.12Å; D138-F293 HydrophobicContact CB-CD2 4.39Å; D138-F293 WeakPolarHBondContact O-CE2 3.31Å
139R97.9Very high96.2Very high3 Ų338.7 Ų38.71%0.01120%0.198CC..THydrogen-bonded Turntrans62.42.6-178.9-39.3-17869.3171.16.5115.5P137 H141 K152 M153 N239 E244 F260 F293P137-R139 PolarHBondContact O-N 2.88Å; R139-H141 PolarHBondContact O-CD2 3.46Å; R139-K152 HydrophobicContact CB-CG 4.31Å; R139-K152 VanDerWaalsContact CZ-CE 3.44Å; R139-K152 CarbonylContact O-C 3.57Å; R139-K152 WeakPolarHBondContact O-CA 3.47Å; R139-K152 PolarHBondContact O-N 3.38Å; R139-M153 PolarHBondContact O-N 3.12Å; R139-M153 VanDerWaalsContact O-N 3.14Å; R139-N239 PolarHBondContact NH1-OD1 3.15Å; R139-N239 PolarHBondContact NH2-O 2.93Å; R139-E244 WeakPolarHBondContact CB-OE1 3.41Å; R139-E244 WeakPolarHBondContact CG-OE1 3.19Å; R139-E244 IonicContact CZ-OE1 2.63Å; R139-E244 IonicContact CZ-OE2 2.87Å; R139-E244 IonicContact NE-OE1 3.76Å; R139-E244 PolarHBondContact NE-OE1 2.85Å; R139-E244 IonicContact NE-OE2 3.7Å; R139-E244 PolarHBondContact NE-OE2 3.32Å; R139-E244 IonicContact NH2-OE1 3.78Å; R139-E244 IonicContact NH2-OE2 3.65Å; R139-E244 PolarHBondContact NH2-OE2 2.63Å; R139-F260 HydrophobicContact CG-CD2 4.14Å; R139-F260 HydrophobicContact CG-CE1 4.22Å; R139-F260 HydrophobicContact CG-CE2 3.6Å; R139-F260 HydrophobicContact CG-CZ 3.66Å; R139-F293 HydrophobicContact CB-CD2 4.36Å; R139-F293 HydrophobicContact CB-CE2 4.01Å; R139-F293 VanDerWaalsContact CD-CD2 3.49Å; R139-F293 HydrophobicContact CG-CD2 3.84Å; R139-F293 HydrophobicContact CG-CE2 4.01Å; R139-F293 HydrophobicContact CG-CG 4.45Å
140C98.4Very high96.3Very high0 Ų038.5 Ų38.50%020%0.196CC..  trans-83.8135.1175.6173.90000111.6R127 P137 D138 I150 L151R127-C140 PolarHBondContact NH2-O 2.64Å; P137-C140 HydrophobicContact CB-CB 4.06Å; P137-C140 HydrophobicContact CG-CB 4.17Å; P137-C140 VanDerWaalsContact O-CB 3.27Å; P137-C140 WeakPolarHBondContact O-CB 3.49Å; P137-C140 PolarHBondContact O-N 3.44Å; P137-C140 VanDerWaalsContact O-N 3.13Å; D138-C140 PolarHBondContact O-N 3.48Å; C140-I150 WeakPolarHBondContact CA-O 3.39Å; C140-I150 PolarHBondContact SG-O 2.94Å; C140-L151 HydrophobicContact CB-CD2 4.18Å
141H98Very high96.5Very high58 Ų5834.7 Ų34.727%0.26918%0.176SC..EExtended strand (participates in β ladder)trans-133.4150.2175.9-62.3-99.9000111.3R139 C149 I150 M153 L243R139-H141 PolarHBondContact O-CD2 3.46Å; H141-C149 WeakPolarHBondContact O-CA 3.3Å; H141-I150 PolarHBondContact N-O 3.19Å; H141-I150 VanDerWaalsContact N-O 3.16Å; H141-I150 PolarHBondContact O-N 2.79Å; H141-M153 HydrophobicContact CB-CB 3.86Å; H141-M153 HydrophobicContact CB-CG 4.31Å; H141-M153 HydrophobicContact CB-SD 3.66Å; H141-L243 HydrophobicContact CB-CD1 3.92Å
142H98Very high96.7Very high40 Ų4027.4 Ų27.419%0.18515%0.149CC..EExtended strand (participates in β ladder)trans-83.5123.7174.8-177.795000109.5R131 C132 D147R131-H142 WeakPolarHBondContact CD-NE2 3.48Å; C132-H142 PolarHBondContact SG-ND1 3.13Å; H142-D147 IonicContact CE1-OD1 3.46Å; H142-D147 IonicContact NE2-OD1 2.7Å
143C97.4Very high96.9Very high6 Ų626.7 Ų26.74%0.04114%0.142CC..EExtended strand (participates in β ladder)trans-96.6121.1171178.20000109.4V145 C146 D147 K148 I150 M153 C163C143-V145 VanDerWaalsContact C-N 3.27Å; C143-V145 PolarHBondContact O-N 3.49Å; C143-V145 PolarHBondContact SG-N 2.87Å; C143-C146 HydrophobicContact CB-CB 3.93Å; C143-C146 PolarHBondContact O-N 2.86Å; C143-C146 PolarHBondContact SG-N 3.12Å; C143-C146 VanDerWaalsContact SG-N 3.44Å; C143-D147 VanDerWaalsContact O-CA 3.29Å; C143-D147 WeakPolarHBondContact O-CA 3.22Å; C143-D147 PolarHBondContact O-N 3.23Å; C143-K148 PolarHBondContact N-O 3.24Å; C143-K148 PolarHBondContact O-N 3.45Å; C143-I150 HydrophobicContact CB-CG1 4.01Å; C143-M153 HydrophobicContact CB-CE 3.72Å; C143-M153 HydrophobicContact CB-SD 3.97Å; C143-C163 WeakPolarHBondContact CB-SG 3.4Å; C143-C163 PolarHBondContact SG-SG 3.36Å
144S94.3Very high97.1Very high74 Ų7424.5 Ų24.552%0.51713%0.132SC..THydrogen-bonded Turntrans-69-22.7179550000114
145V93Very high97.2Very high53 Ų5326.4 Ų26.432%0.32114%0.141SC..THydrogen-bonded Turntrans-79.3-47.4176.4-173.40000110.6Y19 C143 D147 H156Y19-V145 HydrophobicContact CE1-CG1 4.49Å; Y19-V145 HydrophobicContact CE2-CG1 4.16Å; C143-V145 VanDerWaalsContact C-N 3.27Å; C143-V145 PolarHBondContact O-N 3.49Å; C143-V145 PolarHBondContact SG-N 2.87Å; V145-D147 PolarHBondContact O-N 3.17Å; V145-H156 VanDerWaalsContact CG1-CE1 3.44Å; V145-H156 WeakPolarHBondContact CG1-CE1 3.46Å; V145-H156 WeakPolarHBondContact CG1-NE2 3.41Å
146C93.6Very high97.2Very high36 Ų3628.5 Ų28.524%0.24315%0.151CC..THydrogen-bonded Turntrans-73-14.1174.4-60.40000112.2C143 K148 I150 H156 C163C143-C146 HydrophobicContact CB-CB 3.93Å; C143-C146 PolarHBondContact O-N 2.86Å; C143-C146 PolarHBondContact SG-N 3.12Å; C143-C146 VanDerWaalsContact SG-N 3.44Å; C146-K148 HydrophobicContact CB-CG 4.12Å; C146-K148 PolarHBondContact O-N 2.89Å; C146-I150 HydrophobicContact CB-CD1 4.14Å; C146-H156 PolarHBondContact SG-ND1 3.33Å; C146-C163 HydrophobicContact CB-CB 4.5Å; C146-C163 WeakPolarHBondContact CB-SG 3.44Å; C146-C163 WeakPolarHBondContact SG-CB 3.37Å; C146-C163 CovalentContact SG-SG 2.08Å; C146-C163 PolarHBondContact SG-SG 3.35Å
147D94.6Very high97.2Very high105 Ų10526.7 Ų26.756%0.56114%0.144SC*.THydrogen-bonded Turntrans49.938.8-176.5-15832.8000114.2R131 H142 C143 V145R131-D147 IonicContact NH1-OD1 3.38Å; H142-D147 IonicContact CE1-OD1 3.46Å; H142-D147 IonicContact NE2-OD1 2.7Å; C143-D147 VanDerWaalsContact O-CA 3.29Å; C143-D147 WeakPolarHBondContact O-CA 3.22Å; C143-D147 PolarHBondContact O-N 3.23Å; V145-D147 PolarHBondContact O-N 3.17Å
148K95.6Very high97.2Very high49 Ų4930 Ų3021%0.21317%0.165CC..EExtended strand (participates in β ladder)trans-156.8161.6-178.569-171.9-163.9146.90112.1P78 N80 C143 C146 I150P78-K148 PolarHBondContact O-NZ 3.42Å; N80-K148 WeakPolarHBondContact OD1-CD 3.19Å; N80-K148 PolarHBondContact OD1-NZ 2.74Å; C143-K148 PolarHBondContact N-O 3.24Å; C143-K148 PolarHBondContact O-N 3.45Å; C146-K148 HydrophobicContact CB-CG 4.12Å; C146-K148 PolarHBondContact O-N 2.89Å; K148-I150 HydrophobicContact CD-CD1 4.26Å; K148-I150 HydrophobicContact CG-CD1 3.65Å
149C98.1Very high97.2Very high2 Ų236.3 Ų36.31%0.01419%0.189CC..EExtended strand (participates in β ladder)trans-74.5129.6169.7-83.90000110.9P81 L134 H141P81-C149 HydrophobicContact CG-CB 3.85Å; L134-C149 HydrophobicContact CD1-CB 4.33Å; L134-C149 HydrophobicContact CD2-CB 4.21Å; H141-C149 WeakPolarHBondContact O-CA 3.3Å
150I98.1Very high97.2Very high1 Ų136.2 Ų36.21%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-111.9120.3-177-51.3-64.6000108.1P78 C140 H141 C143 C146 K148 M153 C163P78-I150 HydrophobicContact CB-CD1 3.51Å; P78-I150 HydrophobicContact CB-CG2 4.13Å; P78-I150 HydrophobicContact CG-CD1 3.97Å; C140-I150 WeakPolarHBondContact CA-O 3.39Å; C140-I150 PolarHBondContact SG-O 2.94Å; H141-I150 PolarHBondContact N-O 3.19Å; H141-I150 VanDerWaalsContact N-O 3.16Å; H141-I150 PolarHBondContact O-N 2.79Å; C143-I150 HydrophobicContact CB-CG1 4.01Å; C146-I150 HydrophobicContact CB-CD1 4.14Å; K148-I150 HydrophobicContact CD-CD1 4.26Å; K148-I150 HydrophobicContact CG-CD1 3.65Å; I150-M153 HydrophobicContact CB-CB 3.91Å; I150-M153 HydrophobicContact CB-CG 4.01Å; I150-M153 HydrophobicContact CB-SD 4.24Å; I150-M153 HydrophobicContact CG1-SD 4.28Å; I150-M153 HydrophobicContact CG2-CB 4.02Å; I150-M153 HydrophobicContact CG2-CG 4.13Å; I150-M153 PolarHBondContact O-N 3.14Å; I150-C163 HydrophobicContact CD1-CB 3.84Å; I150-C163 HydrophobicContact CG1-CB 3.99Å; I150-C163 HydrophobicContact CG2-CB 4.26Å
151L98.6Very high97.1Very high1 Ų137.8 Ų37.81%0.00520%0.197CC..THydrogen-bonded Turntrans-64.5136.8174.9-64.7-176.3000110.9M79 P81 P137 C140 M153 F166 G290M79-L151 HydrophobicContact CB-CD1 4.04Å; M79-L151 HydrophobicContact CG-CD1 3.77Å; M79-L151 HydrophobicContact SD-CD1 3.9Å; P81-L151 HydrophobicContact CB-CD2 4.28Å; P81-L151 HydrophobicContact CG-CD2 3.94Å; P137-L151 HydrophobicContact CB-CD2 4.25Å; P137-L151 HydrophobicContact CG-CD2 3.83Å; C140-L151 HydrophobicContact CB-CD2 4.18Å; L151-M153 PolarHBondContact O-N 3.08Å; L151-F166 HydrophobicContact CB-CB 3.98Å; L151-F166 WeakPolarHBondContact O-CB 3.46Å; L151-F166 PolarHBondContact O-N 2.88Å; L151-G290 WeakPolarHBondContact CB-O 3.31Å; L151-G290 WeakPolarHBondContact CD2-O 3.37Å
152K98.4Very high97.1Very high15 Ų1535.7 Ų35.77%0.06519%0.188CC..THydrogen-bonded Turntrans41.250.4-174.2-159.4-173.1173.7-179.50112.3R139 D154 G165 F166 F293R139-K152 HydrophobicContact CB-CG 4.31Å; R139-K152 VanDerWaalsContact CZ-CE 3.44Å; R139-K152 CarbonylContact O-C 3.57Å; R139-K152 WeakPolarHBondContact O-CA 3.47Å; R139-K152 PolarHBondContact O-N 3.38Å; K152-D154 PolarHBondContact O-N 3.41Å; K152-G165 VanDerWaalsContact O-CA 3.29Å; K152-G165 WeakPolarHBondContact O-CA 3.3Å; K152-F166 HydrophobicContact CB-CB 3.86Å; K152-F166 HydrophobicContact CB-CD2 4.42Å; K152-F166 HydrophobicContact CD-CD2 4.3Å; K152-F293 HydrophobicContact CB-CE1 4.31Å; K152-F293 HydrophobicContact CB-CZ 3.78Å; K152-F293 HydrophobicContact CD-CE1 3.9Å; K152-F293 HydrophobicContact CD-CZ 4.23Å; K152-F293 HydrophobicContact CG-CE1 4.27Å; K152-F293 HydrophobicContact CG-CZ 4.12Å
153M98.5Very high97.1Very high17 Ų1733.8 Ų33.88%0.08418%0.179CC..  trans-59.9126.6-174.7-173.1174.7165.800109.9R139 H141 C143 I150 L151 S241 L243R139-M153 PolarHBondContact O-N 3.12Å; R139-M153 VanDerWaalsContact O-N 3.14Å; H141-M153 HydrophobicContact CB-CB 3.86Å; H141-M153 HydrophobicContact CB-CG 4.31Å; H141-M153 HydrophobicContact CB-SD 3.66Å; C143-M153 HydrophobicContact CB-CE 3.72Å; C143-M153 HydrophobicContact CB-SD 3.97Å; I150-M153 HydrophobicContact CB-CB 3.91Å; I150-M153 HydrophobicContact CB-CG 4.01Å; I150-M153 HydrophobicContact CB-SD 4.24Å; I150-M153 HydrophobicContact CG1-SD 4.28Å; I150-M153 HydrophobicContact CG2-CB 4.02Å; I150-M153 HydrophobicContact CG2-CG 4.13Å; I150-M153 PolarHBondContact O-N 3.14Å; L151-M153 PolarHBondContact O-N 3.08Å; M153-S241 PolarHBondContact O-OG 2.82Å; M153-L243 HydrophobicContact CB-CD1 4.17Å; M153-L243 HydrophobicContact CG-CD1 4.11Å; M153-L243 HydrophobicContact SD-CD1 4.33Å
154D98.7Very high97.2Very high4 Ų433.5 Ų33.52%0.02118%0.177CC..  trans-96.2-62.8172.7-164.9-90.1000110.3K152 V164 Y169 H232 S241 T242 L243K152-D154 PolarHBondContact O-N 3.41Å; D154-V164 HydrophobicContact CB-CB 4.47Å; D154-V164 HydrophobicContact CB-CG1 4.2Å; D154-V164 WeakPolarHBondContact CB-O 3.23Å; D154-V164 PolarHBondContact N-O 3.44Å; D154-Y169 HydrophobicContact CB-CD2 4.38Å; D154-Y169 HydrophobicContact CB-CE2 4.31Å; D154-H232 IonicContact OD1-CE1 2.99Å; D154-H232 PolarHBondContact OD1-CE1 2.73Å; D154-S241 VanDerWaalsContact OD2-CA 3.24Å; D154-S241 WeakPolarHBondContact OD2-CA 3.34Å; D154-T242 VanDerWaalsContact CG-OG1 3.32Å; D154-T242 WeakPolarHBondContact OD1-CB 3.48Å; D154-T242 PolarHBondContact OD1-OG1 3.13Å; D154-T242 PolarHBondContact OD2-N 3.19Å; D154-T242 PolarHBondContact OD2-OG1 3.17Å; D154-L243 WeakPolarHBondContact O-CG 3.46Å
155H98.4Very high97.4Very high44 Ų4430 Ų3020%0.20415%0.153CC..EExtended strand (participates in β ladder)trans-161.6167.6175.362.3-80.7000110.9C157 V164 F172H155-C157 WeakPolarHBondContact NE2-CB 3.25Å; H155-V164 PolarHBondContact N-O 3.18Å; H155-V164 PolarHBondContact O-N 2.85Å; H155-F172 AromaticContact CE1-CE1 3.81Å; H155-F172 AromaticContact CE1-CZ 3.64Å; H155-F172 AromaticContact NE2-CZ 3.87Å
156H98.1Very high97.7Very high44 Ų4428 Ų2820%0.20414%0.14CC..EExtended strand (participates in β ladder)trans-91.6123.8164.4-175.984.8000108.6V145 C146 C163V145-H156 VanDerWaalsContact CG1-CE1 3.44Å; V145-H156 WeakPolarHBondContact CG1-CE1 3.46Å; V145-H156 WeakPolarHBondContact CG1-NE2 3.41Å; C146-H156 PolarHBondContact SG-ND1 3.33Å; H156-C163 PolarHBondContact ND1-SG 3.29Å; H156-C163 VanDerWaalsContact ND1-SG 3.38Å
157C98.1Very high97.9Very high8 Ų826.7 Ų26.75%0.05413%0.131CC..EExtended strand (participates in β ladder)trans-108.9111.1-175.8-179.20000110.4H155 W159 V160 N161 N162 V164H155-C157 WeakPolarHBondContact NE2-CB 3.25Å; C157-W159 VanDerWaalsContact C-N 3.27Å; C157-W159 PolarHBondContact O-N 3.06Å; C157-V160 HydrophobicContact CB-CG2 3.61Å; C157-V160 WeakPolarHBondContact O-CG2 3.45Å; C157-V160 PolarHBondContact O-N 3.27Å; C157-N161 PolarHBondContact O-N 3.05Å; C157-N162 PolarHBondContact N-O 2.79Å; C157-N162 PolarHBondContact O-N 2.94Å; C157-V164 HydrophobicContact CB-CG2 3.95Å
158P97Very high98.1Very high69 Ų6921.7 Ų21.745%0.44810%0.104SC..G310 helixtrans-62.1-33.9178.6-23.634.6000113P22 V160 N161P22-P158 WeakPolarHBondContact CB-O 3.19Å; P22-P158 HydrophobicContact CG-CB 4.32Å; P158-V160 PolarHBondContact O-N 3.3Å; P158-N161 PolarHBondContact O-N 3.16Å
159W97.9Very high98.2Very high134 Ų13419.8 Ų19.851%0.50810%0.096SC..G310 helixtrans-65.8-16.6-177.4-57.8109.1000114.5P22 F25 I26 Y70 C157P22-W159 HydrophobicContact CB-CE3 3.97Å; P22-W159 HydrophobicContact CB-CZ3 4.39Å; F25-W159 HydrophobicContact CD1-CZ3 4.12Å; F25-W159 HydrophobicContact CE1-CZ3 4.44Å; I26-W159 HydrophobicContact CD1-CE3 3.95Å; I26-W159 HydrophobicContact CD1-CZ3 4.09Å; I26-W159 HydrophobicContact CG1-CE3 3.8Å; I26-W159 HydrophobicContact CG1-CZ3 4.26Å; Y70-W159 WeakPolarHBondContact CE2-O 3.24Å; Y70-W159 PolarHBondContact OH-O 3Å; C157-W159 VanDerWaalsContact C-N 3.27Å; C157-W159 PolarHBondContact O-N 3.06Å
160V97.9Very high98.2Very high0 Ų019.8 Ų19.80%010%0.096CC..G310 helixtrans-119.13.7175.1-57.30000111.6Y70 T73 I74 C157 P158 N162 F175Y70-V160 HydrophobicContact CD2-CG1 4.14Å; Y70-V160 HydrophobicContact CE2-CG1 3.77Å; T73-V160 HydrophobicContact CG2-CB 4.16Å; T73-V160 HydrophobicContact CG2-CG1 3.8Å; T73-V160 HydrophobicContact CG2-CG2 4.16Å; I74-V160 HydrophobicContact CG1-CB 3.83Å; I74-V160 HydrophobicContact CG1-CG1 4.35Å; I74-V160 WeakPolarHBondContact CG1-O 3.44Å; C157-V160 HydrophobicContact CB-CG2 3.61Å; C157-V160 WeakPolarHBondContact O-CG2 3.45Å; C157-V160 PolarHBondContact O-N 3.27Å; P158-V160 PolarHBondContact O-N 3.3Å; V160-N162 HydrophobicContact CG2-CB 4.09Å; V160-N162 PolarHBondContact O-N 3.17Å; V160-N162 VanDerWaalsContact O-N 3.08Å; V160-F175 HydrophobicContact CG1-CE1 4.41Å
161N97.5Very high98.3Very high33 Ų3319.9 Ų19.918%0.17610%0.096CC..THydrogen-bonded Turntrans43.641-174-171.420.9000113.4Y19 W20 V23 C157 P158Y19-N161 VanDerWaalsContact CB-OD1 3.3Å; Y19-N161 WeakPolarHBondContact CB-OD1 3.33Å; W20-N161 HydrophobicContact CE3-CB 4.47Å; W20-N161 PolarHBondContact NE1-ND2 3.48Å; V23-N161 HydrophobicContact CG2-CB 3.68Å; C157-N161 PolarHBondContact O-N 3.05Å; P158-N161 PolarHBondContact O-N 3.16Å
162N97.9Very high98.3Very high14 Ų1420 Ų208%0.07510%0.097CC..EExtended strand (participates in β ladder)trans-153156.7-175.2-162.66.1000111.2T73 I74 T76 P78 C157 V160T73-N162 PolarHBondContact O-ND2 3.01Å; I74-N162 PolarHBondContact O-ND2 3.37Å; T76-N162 PolarHBondContact O-ND2 3.19Å; P78-N162 VanDerWaalsContact CD-OD1 3.25Å; P78-N162 WeakPolarHBondContact CD-OD1 3.41Å; P78-N162 WeakPolarHBondContact CG-OD1 3.38Å; C157-N162 PolarHBondContact N-O 2.79Å; C157-N162 PolarHBondContact O-N 2.94Å; V160-N162 HydrophobicContact CG2-CB 4.09Å; V160-N162 PolarHBondContact O-N 3.17Å; V160-N162 VanDerWaalsContact O-N 3.08Å
163C98.3Very high98.3Very high0 Ų019.6 Ų19.60%010%0.095CC..EExtended strand (participates in β ladder)trans-75.6131.7169.4-75.80000109.7P78 C143 C146 I150 H156 N168P78-C163 HydrophobicContact CB-CB 4.47Å; P78-C163 HydrophobicContact CG-CB 3.84Å; C143-C163 WeakPolarHBondContact CB-SG 3.4Å; C143-C163 PolarHBondContact SG-SG 3.36Å; C146-C163 HydrophobicContact CB-CB 4.5Å; C146-C163 WeakPolarHBondContact CB-SG 3.44Å; C146-C163 WeakPolarHBondContact SG-CB 3.37Å; C146-C163 CovalentContact SG-SG 2.08Å; C146-C163 PolarHBondContact SG-SG 3.35Å; I150-C163 HydrophobicContact CD1-CB 3.84Å; I150-C163 HydrophobicContact CG1-CB 3.99Å; I150-C163 HydrophobicContact CG2-CB 4.26Å; H156-C163 PolarHBondContact ND1-SG 3.29Å; H156-C163 VanDerWaalsContact ND1-SG 3.38Å; C163-N168 PolarHBondContact O-ND2 3.43Å; C163-N168 PolarHBondContact O-OD1 3.37Å
164V98.8Very high98.3Very high0 Ų019.1 Ų19.10%09%0.093CC..EExtended strand (participates in β ladder)trans-89.8120.9169.1-178.30000107.9D154 H155 C157 N168 Y169 F172D154-V164 HydrophobicContact CB-CB 4.47Å; D154-V164 HydrophobicContact CB-CG1 4.2Å; D154-V164 WeakPolarHBondContact CB-O 3.23Å; D154-V164 PolarHBondContact N-O 3.44Å; H155-V164 PolarHBondContact N-O 3.18Å; H155-V164 PolarHBondContact O-N 2.85Å; C157-V164 HydrophobicContact CB-CG2 3.95Å; V164-N168 WeakPolarHBondContact CA-OD1 3.5Å; V164-Y169 HydrophobicContact CG1-CD2 3.69Å; V164-Y169 HydrophobicContact CG1-CE2 4.45Å; V164-F172 HydrophobicContact CG1-CB 3.89Å; V164-F172 HydrophobicContact CG1-CD1 4.03Å; V164-F172 HydrophobicContact CG1-CG 3.91Å; V164-F172 HydrophobicContact CG2-CB 4.35Å; V164-F172 HydrophobicContact CG2-CD2 3.9Å; V164-F172 HydrophobicContact CG2-CE2 4.37Å; V164-F172 HydrophobicContact CG2-CG 4.05Å
165G98.4Very high98.3Very high1 Ų119.9 Ų19.91%0.0110%0.096CC..SBendtrans-160-155.9-178.900000111.6K152 S167 N168 Y169K152-G165 VanDerWaalsContact O-CA 3.29Å; K152-G165 WeakPolarHBondContact O-CA 3.3Å; G165-S167 PolarHBondContact O-N 3.5Å; G165-N168 PolarHBondContact N-OD1 3.21Å; G165-N168 PolarHBondContact O-N 2.98Å; G165-N168 PolarHBondContact O-OD1 3.39Å; G165-Y169 VanDerWaalsContact O-CB 3.26Å; G165-Y169 WeakPolarHBondContact O-CB 3.41Å; G165-Y169 PolarHBondContact O-N 2.88Å
166F98.6Very high98.4Very high10 Ų1017.9 Ų17.94%0.0449%0.087CC..THydrogen-bonded Turntrans-51.1-48.3-171.4-177.9-106000114.4M79 L151 K152 N168 F284 L287 G288 F293M79-F166 HydrophobicContact CE-CD1 4.36Å; M79-F166 HydrophobicContact CE-CE1 4.41Å; M79-F166 HydrophobicContact SD-CD1 4.25Å; M79-F166 HydrophobicContact SD-CE1 4.48Å; L151-F166 HydrophobicContact CB-CB 3.98Å; L151-F166 WeakPolarHBondContact O-CB 3.46Å; L151-F166 PolarHBondContact O-N 2.88Å; K152-F166 HydrophobicContact CB-CB 3.86Å; K152-F166 HydrophobicContact CB-CD2 4.42Å; K152-F166 HydrophobicContact CD-CD2 4.3Å; F166-N168 VanDerWaalsContact C-N 3.35Å; F166-N168 PolarHBondContact O-N 2.98Å; F166-F284 HydrophobicContact CE1-CE2 4.43Å; F166-F284 AromaticContact CE1-CZ 3.89Å; F166-F284 HydrophobicContact CE1-CZ 3.89Å; F166-F284 HydrophobicContact CZ-CZ 4.2Å; F166-L287 WeakPolarHBondContact CE2-O 3.48Å; F166-L287 WeakPolarHBondContact CZ-O 3.48Å; F166-G288 WeakPolarHBondContact CZ-O 3.4Å; F166-F293 HydrophobicContact CD2-CE1 4.18Å; F166-F293 HydrophobicContact CD2-CZ 4.4Å; F166-F293 HydrophobicContact CE2-CE1 4.34Å
167S98.1Very high98.4Very high9 Ų916.8 Ų16.86%0.0639%0.085CC..THydrogen-bonded Turntrans-74-20.2-171.955.10000114.9L77 P78 M79 G165L77-S167 PolarHBondContact O-OG 3.25Å; P78-S167 WeakPolarHBondContact CA-OG 3.26Å; M79-S167 PolarHBondContact N-OG 3.34Å; G165-S167 PolarHBondContact O-N 3.5Å
168N98.6Very high98.4Very high0 Ų017.5 Ų17.50%09%0.087CC..THydrogen-bonded Turntrans-131.22.4-17467.2-11.8000114.6T73 T76 C163 V164 G165 F166 K170 F171 F172T73-N168 PolarHBondContact O-ND2 2.82Å; T76-N168 HydrophobicContact CG2-CB 4.14Å; C163-N168 PolarHBondContact O-ND2 3.43Å; C163-N168 PolarHBondContact O-OD1 3.37Å; V164-N168 WeakPolarHBondContact CA-OD1 3.5Å; G165-N168 PolarHBondContact N-OD1 3.21Å; G165-N168 PolarHBondContact O-N 2.98Å; G165-N168 PolarHBondContact O-OD1 3.39Å; F166-N168 VanDerWaalsContact C-N 3.35Å; F166-N168 PolarHBondContact O-N 2.98Å; N168-K170 VanDerWaalsContact C-N 3.32Å; N168-K170 PolarHBondContact O-N 3.32Å; N168-F171 HydrophobicContact CB-CD2 3.96Å; N168-F171 WeakPolarHBondContact O-CB 3.4Å; N168-F171 PolarHBondContact O-N 3.5Å; N168-F172 PolarHBondContact O-N 2.91Å
169Y98.8Very high98.5Very high9 Ų914.5 Ų14.54%0.0357%0.067CC..Hα-helixtrans-58.1-42.5-179-169.4-127.6000112.6D154 V164 G165 F171 F172 L173 H232 V236 V271D154-Y169 HydrophobicContact CB-CD2 4.38Å; D154-Y169 HydrophobicContact CB-CE2 4.31Å; V164-Y169 HydrophobicContact CG1-CD2 3.69Å; V164-Y169 HydrophobicContact CG1-CE2 4.45Å; G165-Y169 VanDerWaalsContact O-CB 3.26Å; G165-Y169 WeakPolarHBondContact O-CB 3.41Å; G165-Y169 PolarHBondContact O-N 2.88Å; Y169-F171 VanDerWaalsContact C-N 3.32Å; Y169-F171 PolarHBondContact O-N 2.89Å; Y169-F172 HydrophobicContact CD2-CD1 4.49Å; Y169-F172 HydrophobicContact CE2-CD1 4.45Å; Y169-F172 WeakPolarHBondContact O-CB 3.21Å; Y169-F172 PolarHBondContact O-N 2.8Å; Y169-L173 HydrophobicContact CD1-CD1 4.24Å; Y169-L173 HydrophobicContact CE1-CD1 4.1Å; Y169-L173 WeakPolarHBondContact O-CG 3.42Å; Y169-L173 PolarHBondContact O-N 3.4Å; Y169-H232 AromaticContact CE2-ND1 3.67Å; Y169-H232 AromaticContact CZ-ND1 3.8Å; Y169-H232 PolarHBondContact OH-ND1 3.13Å; Y169-V236 HydrophobicContact CE1-CG2 3.72Å; Y169-V271 HydrophobicContact CD1-CG1 4.04Å; Y169-V271 HydrophobicContact CD1-CG2 4.1Å; Y169-V271 HydrophobicContact CE1-CG2 4.33Å
170K98.7Very high98.5Very high3 Ų39 Ų91%0.0135%0.048CC..Hα-helixtrans-58.5-43.3173.6-177.5-170168.7-168.40111.8N168 F172 L173 L174 V271 F272 Y278 L281 I283 S285N168-K170 VanDerWaalsContact C-N 3.32Å; N168-K170 PolarHBondContact O-N 3.32Å; K170-F172 VanDerWaalsContact C-N 3.33Å; K170-L173 PolarHBondContact O-N 3.1Å; K170-L174 HydrophobicContact CG-CD1 4.38Å; K170-L174 WeakPolarHBondContact O-CG 3.44Å; K170-L174 PolarHBondContact O-N 2.87Å; K170-V271 HydrophobicContact CB-CG1 4.04Å; K170-F272 HydrophobicContact CD-CD1 4.37Å; K170-F272 HydrophobicContact CG-CD1 4.06Å; K170-F272 HydrophobicContact CG-CE1 4.18Å; K170-Y278 WeakPolarHBondContact CE-O 3.17Å; K170-Y278 PolarHBondContact NZ-O 3.27Å; K170-L281 WeakPolarHBondContact CE-O 3.34Å; K170-L281 PolarHBondContact NZ-O 2.99Å; K170-I283 PolarHBondContact NZ-O 2.97Å; K170-S285 PolarHBondContact NZ-OG 3.32Å
171F98.8Very high98.6Very high2 Ų213.2 Ų13.21%0.0097%0.07CC..Hα-helixtrans-65-40.4179.5-53.1-32.7000111.3K72 T73 T76 N168 Y169 L174 F175 P282 I283 F284K72-F171 HydrophobicContact CB-CB 4.09Å; K72-F171 HydrophobicContact CB-CD1 4.3Å; K72-F171 HydrophobicContact CB-CD2 3.9Å; K72-F171 HydrophobicContact CB-CE2 4.43Å; K72-F171 HydrophobicContact CB-CG 3.83Å; T73-F171 WeakPolarHBondContact OG1-CB 3.49Å; T73-F171 PolarHBondContact OG1-O 2.95Å; T76-F171 HydrophobicContact CG2-CD2 4.32Å; T76-F171 HydrophobicContact CG2-CE2 3.93Å; T76-F171 WeakPolarHBondContact OG1-CD2 3.5Å; T76-F171 VanDerWaalsContact OG1-CE2 3.32Å; T76-F171 WeakPolarHBondContact OG1-CE2 3.42Å; N168-F171 HydrophobicContact CB-CD2 3.96Å; N168-F171 WeakPolarHBondContact O-CB 3.4Å; N168-F171 PolarHBondContact O-N 3.5Å; Y169-F171 VanDerWaalsContact C-N 3.32Å; Y169-F171 PolarHBondContact O-N 2.89Å; F171-L174 PolarHBondContact O-N 2.68Å; F171-F175 VanDerWaalsContact O-CB 3.31Å; F171-F175 WeakPolarHBondContact O-CB 3.43Å; F171-F175 PolarHBondContact O-N 3.22Å; F171-P282 HydrophobicContact CD1-CB 4.26Å; F171-P282 VanDerWaalsContact CE1-O 3.29Å; F171-P282 WeakPolarHBondContact CE1-O 3.46Å; F171-I283 VanDerWaalsContact CE1-C 3.47Å; F171-F284 HydrophobicContact CZ-CB 3.96Å
172F98.9Very high98.6Very high4 Ų412 Ų122%0.0186%0.063CC..Hα-helixtrans-61.5-43.7174.8176.2-103.1000112T73 H155 V164 N168 Y169 K170 L174 F175 L176 L228 H232T73-F172 HydrophobicContact CG2-CB 3.94Å; T73-F172 HydrophobicContact CG2-CD2 4.15Å; T73-F172 PolarHBondContact OG1-N 2.89Å; H155-F172 AromaticContact CE1-CE1 3.81Å; H155-F172 AromaticContact CE1-CZ 3.64Å; H155-F172 AromaticContact NE2-CZ 3.87Å; V164-F172 HydrophobicContact CG1-CB 3.89Å; V164-F172 HydrophobicContact CG1-CD1 4.03Å; V164-F172 HydrophobicContact CG1-CG 3.91Å; V164-F172 HydrophobicContact CG2-CB 4.35Å; V164-F172 HydrophobicContact CG2-CD2 3.9Å; V164-F172 HydrophobicContact CG2-CE2 4.37Å; V164-F172 HydrophobicContact CG2-CG 4.05Å; N168-F172 PolarHBondContact O-N 2.91Å; Y169-F172 HydrophobicContact CD2-CD1 4.49Å; Y169-F172 HydrophobicContact CE2-CD1 4.45Å; Y169-F172 WeakPolarHBondContact O-CB 3.21Å; Y169-F172 PolarHBondContact O-N 2.8Å; K170-F172 VanDerWaalsContact C-N 3.33Å; F172-L174 PolarHBondContact O-N 3.29Å; F172-F175 HydrophobicContact CD2-CD1 4.09Å; F172-F175 HydrophobicContact CE2-CD1 4.36Å; F172-F175 WeakPolarHBondContact O-CB 3.32Å; F172-F175 PolarHBondContact O-N 2.7Å; F172-L176 HydrophobicContact CD1-CD1 4.17Å; F172-L176 HydrophobicContact CE1-CD1 3.51Å; F172-L176 HydrophobicContact CE1-CG 4.14Å; F172-L176 HydrophobicContact CE2-CD1 4.45Å; F172-L176 HydrophobicContact CE2-CD2 4.28Å; F172-L176 HydrophobicContact CE2-CG 4.3Å; F172-L176 HydrophobicContact CZ-CD1 3.68Å; F172-L176 HydrophobicContact CZ-CD2 4.13Å; F172-L176 HydrophobicContact CZ-CG 4.01Å; F172-L176 WeakPolarHBondContact O-CG 3.26Å; F172-L176 PolarHBondContact O-N 3.33Å; F172-L228 HydrophobicContact CZ-CD2 4.49Å; F172-H232 AromaticContact CE1-CD2 3.82Å; F172-H232 AromaticContact CE1-CE1 3.8Å; F172-H232 AromaticContact CE1-NE2 3.59Å
173L98.8Very high98.7Very high6 Ų612 Ų123%0.0316%0.064CC..Hα-helixtrans-61.9-44175.4-67.3173.4000112.4Y169 K170 F175 L176 A177 H232 V236 V271 F272Y169-L173 HydrophobicContact CD1-CD1 4.24Å; Y169-L173 HydrophobicContact CE1-CD1 4.1Å; Y169-L173 WeakPolarHBondContact O-CG 3.42Å; Y169-L173 PolarHBondContact O-N 3.4Å; K170-L173 PolarHBondContact O-N 3.1Å; L173-F175 VanDerWaalsContact C-N 3.34Å; L173-L176 PolarHBondContact O-N 3.37Å; L173-A177 WeakPolarHBondContact O-CB 3.48Å; L173-A177 PolarHBondContact O-N 2.98Å; L173-H232 HydrophobicContact CD2-CB 3.62Å; L173-V236 HydrophobicContact CD1-CG2 3.54Å; L173-V236 HydrophobicContact CD2-CG2 4.15Å; L173-V236 HydrophobicContact CG-CG2 4.49Å; L173-V271 HydrophobicContact CD1-CG1 3.76Å; L173-F272 HydrophobicContact CB-CZ 4.44Å; L173-F272 HydrophobicContact CD1-CE2 4.12Å; L173-F272 HydrophobicContact CD1-CZ 3.87Å
174L98.9Very high98.7Very high7 Ų715.9 Ų15.94%0.0378%0.084CC..Hα-helixtrans-65.7-39176.3-70.2177.9000111.6K170 F171 F172 A177 Y178 F272 W279 L281 P282K170-L174 HydrophobicContact CG-CD1 4.38Å; K170-L174 WeakPolarHBondContact O-CG 3.44Å; K170-L174 PolarHBondContact O-N 2.87Å; F171-L174 PolarHBondContact O-N 2.68Å; F172-L174 PolarHBondContact O-N 3.29Å; L174-A177 PolarHBondContact O-N 2.68Å; L174-Y178 HydrophobicContact CB-CD2 4.17Å; L174-Y178 HydrophobicContact CB-CE2 4.15Å; L174-Y178 HydrophobicContact CD2-CE2 4.05Å; L174-Y178 WeakPolarHBondContact O-CB 3.44Å; L174-Y178 WeakPolarHBondContact O-CD2 3.27Å; L174-Y178 PolarHBondContact O-N 3.31Å; L174-F272 HydrophobicContact CD2-CE1 4.43Å; L174-W279 WeakPolarHBondContact CD2-O 3.46Å; L174-L281 VanDerWaalsContact CD1-C 3.5Å; L174-L281 WeakPolarHBondContact CD1-O 3.26Å; L174-P282 HydrophobicContact CD1-CG 4.27Å
175F98.8Very high98.7Very high21 Ų2117.9 Ų17.99%0.0929%0.093CC..Hα-helixtrans-57.2-51172.4159.2-115.1000110.4F66 S69 Y70 V160 F171 F172 L173 A177 Y178 S179F66-F175 HydrophobicContact CD2-CD2 4.26Å; F66-F175 HydrophobicContact CD2-CE2 4.38Å; F66-F175 AromaticContact CE2-CD2 3.87Å; F66-F175 HydrophobicContact CE2-CD2 3.87Å; F66-F175 AromaticContact CE2-CE2 3.56Å; F66-F175 HydrophobicContact CE2-CE2 3.56Å; F66-F175 HydrophobicContact CZ-CE2 4.12Å; S69-F175 WeakPolarHBondContact OG-CA 3.35Å; Y70-F175 AromaticContact CD2-CD2 3.7Å; Y70-F175 HydrophobicContact CD2-CD2 3.7Å; Y70-F175 HydrophobicContact CD2-CE1 4.4Å; Y70-F175 AromaticContact CD2-CE2 3.33Å; Y70-F175 HydrophobicContact CD2-CE2 3.33Å; Y70-F175 HydrophobicContact CD2-CG 4.36Å; Y70-F175 AromaticContact CD2-CZ 3.74Å; Y70-F175 HydrophobicContact CD2-CZ 3.74Å; Y70-F175 AromaticContact CE2-CE2 3.99Å; Y70-F175 HydrophobicContact CE2-CE2 3.99Å; Y70-F175 AromaticContact CE2-CZ 3.99Å; Y70-F175 HydrophobicContact CE2-CZ 3.99Å; Y70-F175 HydrophobicContact CG-CD2 4.16Å; Y70-F175 AromaticContact CG-CE2 3.98Å; Y70-F175 HydrophobicContact CG-CE2 3.98Å; V160-F175 HydrophobicContact CG1-CE1 4.41Å; F171-F175 VanDerWaalsContact O-CB 3.31Å; F171-F175 WeakPolarHBondContact O-CB 3.43Å; F171-F175 PolarHBondContact O-N 3.22Å; F172-F175 HydrophobicContact CD2-CD1 4.09Å; F172-F175 HydrophobicContact CE2-CD1 4.36Å; F172-F175 WeakPolarHBondContact O-CB 3.32Å; F172-F175 PolarHBondContact O-N 2.7Å; L173-F175 VanDerWaalsContact C-N 3.34Å; F175-A177 PolarHBondContact O-N 3.04Å; F175-Y178 PolarHBondContact O-N 2.9Å; F175-S179 WeakPolarHBondContact CD2-OG 3.46Å; F175-S179 VanDerWaalsContact CE2-OG 3.31Å; F175-S179 WeakPolarHBondContact CE2-OG 3.38Å; F175-S179 VanDerWaalsContact O-CB 3.26Å; F175-S179 WeakPolarHBondContact O-CB 3.38Å; F175-S179 PolarHBondContact O-N 3.18Å; F175-S179 PolarHBondContact O-OG 3.04Å
176L98.8Very high98.6Very high2 Ų218 Ų181%0.019%0.093CC..Hα-helixtrans-59.3-45.4176.8-67.1-177.7000112.5F172 L173 S179 L180 L225 L228 F229F172-L176 HydrophobicContact CD1-CD1 4.17Å; F172-L176 HydrophobicContact CE1-CD1 3.51Å; F172-L176 HydrophobicContact CE1-CG 4.14Å; F172-L176 HydrophobicContact CE2-CD1 4.45Å; F172-L176 HydrophobicContact CE2-CD2 4.28Å; F172-L176 HydrophobicContact CE2-CG 4.3Å; F172-L176 HydrophobicContact CZ-CD1 3.68Å; F172-L176 HydrophobicContact CZ-CD2 4.13Å; F172-L176 HydrophobicContact CZ-CG 4.01Å; F172-L176 WeakPolarHBondContact O-CG 3.26Å; F172-L176 PolarHBondContact O-N 3.33Å; L173-L176 PolarHBondContact O-N 3.37Å; L176-S179 PolarHBondContact O-N 3.09Å; L176-L180 WeakPolarHBondContact O-CB 3.47Å; L176-L180 PolarHBondContact O-N 3.23Å; L176-L225 HydrophobicContact CD2-CD2 3.97Å; L176-L228 HydrophobicContact CD1-CD2 4.23Å; L176-L228 HydrophobicContact CD1-CG 3.95Å; L176-L228 HydrophobicContact CD2-CD2 3.7Å; L176-L228 HydrophobicContact CD2-CG 4.25Å; L176-F229 HydrophobicContact CB-CB 4.28Å; L176-F229 HydrophobicContact CB-CD2 3.81Å; L176-F229 HydrophobicContact CB-CG 4.46Å
177A98.8Very high98.6Very high20 Ų2018.2 Ų18.217%0.16510%0.097CC..Hα-helixtrans-62.4-50.3-179.900000112.1L173 L174 F175 S179 L180 L181 F229L173-A177 WeakPolarHBondContact O-CB 3.48Å; L173-A177 PolarHBondContact O-N 2.98Å; L174-A177 PolarHBondContact O-N 2.68Å; F175-A177 PolarHBondContact O-N 3.04Å; A177-S179 VanDerWaalsContact C-N 3.34Å; A177-L180 PolarHBondContact O-N 3.39Å; A177-L181 WeakPolarHBondContact O-CG 3.27Å; A177-L181 PolarHBondContact O-N 3.19Å; A177-F229 HydrophobicContact CB-CD2 4.35Å; A177-F229 HydrophobicContact CB-CE2 3.68Å; A177-F229 HydrophobicContact CB-CZ 3.84Å
178Y98.8Very high98.5Very high24 Ų2421.1 Ų21.19%0.09412%0.122CC..Hα-helixtrans-70.5-30.3179.4-70.5-57.2000112.5M65 L174 F175 L181 Y182 L280M65-Y178 HydrophobicContact CB-CD1 3.75Å; M65-Y178 HydrophobicContact CB-CD2 3.96Å; M65-Y178 HydrophobicContact CB-CE1 3.84Å; M65-Y178 HydrophobicContact CB-CE2 4.05Å; M65-Y178 HydrophobicContact CB-CG 3.84Å; M65-Y178 HydrophobicContact CE-CE1 4.43Å; M65-Y178 HydrophobicContact CE-CE2 3.61Å; M65-Y178 WeakPolarHBondContact CE-OH 3.44Å; M65-Y178 HydrophobicContact CG-CE1 4.23Å; L174-Y178 HydrophobicContact CB-CD2 4.17Å; L174-Y178 HydrophobicContact CB-CE2 4.15Å; L174-Y178 HydrophobicContact CD2-CE2 4.05Å; L174-Y178 WeakPolarHBondContact O-CB 3.44Å; L174-Y178 WeakPolarHBondContact O-CD2 3.27Å; L174-Y178 PolarHBondContact O-N 3.31Å; F175-Y178 PolarHBondContact O-N 2.9Å; Y178-L181 HydrophobicContact CD1-CD1 4.24Å; Y178-L181 HydrophobicContact CE1-CD1 4.49Å; Y178-Y182 WeakPolarHBondContact O-CB 3.44Å; Y178-Y182 PolarHBondContact O-N 3.13Å; Y178-L280 WeakPolarHBondContact OH-CB 3.4Å; Y178-L280 PolarHBondContact OH-O 3.22Å
179S98.6Very high98.4Very high5 Ų522.3 Ų22.34%0.03513%0.129CC..Hα-helixtrans-61.4-48.1170.6-53.60000110.6F66 F175 L176 A177 Y182 C183F66-S179 WeakPolarHBondContact CD2-OG 3.33Å; F66-S179 WeakPolarHBondContact CE2-OG 3.38Å; F175-S179 WeakPolarHBondContact CD2-OG 3.46Å; F175-S179 VanDerWaalsContact CE2-OG 3.31Å; F175-S179 WeakPolarHBondContact CE2-OG 3.38Å; F175-S179 VanDerWaalsContact O-CB 3.26Å; F175-S179 WeakPolarHBondContact O-CB 3.38Å; F175-S179 PolarHBondContact O-N 3.18Å; F175-S179 PolarHBondContact O-OG 3.04Å; L176-S179 PolarHBondContact O-N 3.09Å; A177-S179 VanDerWaalsContact C-N 3.34Å; S179-Y182 PolarHBondContact O-N 3.18Å; S179-C183 WeakPolarHBondContact O-CB 3.12Å; S179-C183 PolarHBondContact O-N 2.99Å; S179-C183 PolarHBondContact O-SG 2.78Å
180L98.8Very high98.1Very high20 Ų2021.9 Ų21.911%0.10513%0.127CC..Hα-helixtrans-64.2-47.6-179.4177.458.9000110.9L176 A177 Y182 C183 L184 S222 L225 S226 F229L176-L180 WeakPolarHBondContact O-CB 3.47Å; L176-L180 PolarHBondContact O-N 3.23Å; A177-L180 PolarHBondContact O-N 3.39Å; L180-Y182 VanDerWaalsContact C-N 3.32Å; L180-Y182 PolarHBondContact O-N 3.14Å; L180-C183 PolarHBondContact O-N 3.38Å; L180-L184 HydrophobicContact CD1-CD1 3.8Å; L180-L184 HydrophobicContact CD1-CG 3.89Å; L180-L184 HydrophobicContact CG-CD1 3.83Å; L180-L184 HydrophobicContact CG-CG 4.34Å; L180-L184 WeakPolarHBondContact O-CB 3.4Å; L180-L184 VanDerWaalsContact O-CG 3.27Å; L180-L184 WeakPolarHBondContact O-CG 3.29Å; L180-L184 PolarHBondContact O-N 2.94Å; L180-S222 WeakPolarHBondContact CD1-O 3.26Å; L180-L225 HydrophobicContact CB-CB 4.27Å; L180-L225 HydrophobicContact CD1-CB 4.25Å; L180-S226 VanDerWaalsContact CD1-OG 3.26Å; L180-S226 WeakPolarHBondContact CD1-OG 3.28Å; L180-F229 HydrophobicContact CD2-CD1 4.17Å
181L98.7Very high97.9Very high87 Ų8725.4 Ų25.446%0.45515%0.146SC..Hα-helixtrans-60.8-41.1177.1-70.1173.7000112L62 A177 Y178 F185L62-L181 HydrophobicContact CD2-CB 4.05Å; A177-L181 WeakPolarHBondContact O-CG 3.27Å; A177-L181 PolarHBondContact O-N 3.19Å; Y178-L181 HydrophobicContact CD1-CD1 4.24Å; Y178-L181 HydrophobicContact CE1-CD1 4.49Å; L181-F185 WeakPolarHBondContact O-CB 3.36Å; L181-F185 PolarHBondContact O-N 3.33Å
182Y98.6Very high97.5Very high8 Ų828.9 Ų28.93%0.03116%0.162CC..Hα-helixtrans-61.2-49.6175.8176.4-103.2000111.9L30 S33 Y59 L62 F63 Y178 S179 L180 F185 I186L30-Y182 HydrophobicContact CD2-CE1 4.35Å; S33-Y182 PolarHBondContact OG-OH 3.32Å; Y59-Y182 HydrophobicContact CD2-CE2 4.04Å; Y59-Y182 HydrophobicContact CE2-CD2 4.29Å; Y59-Y182 AromaticContact CE2-CE2 3.31Å; Y59-Y182 HydrophobicContact CE2-CE2 3.31Å; Y59-Y182 AromaticContact CE2-CZ 3.81Å; Y59-Y182 AromaticContact CZ-CE2 3.71Å; Y59-Y182 PolarHBondContact OH-OH 3.44Å; L62-Y182 HydrophobicContact CB-CD2 4.45Å; F63-Y182 HydrophobicContact CB-CE2 4.12Å; F63-Y182 AromaticContact CD2-CE2 3.81Å; F63-Y182 HydrophobicContact CD2-CE2 3.81Å; F63-Y182 HydrophobicContact CG-CE2 4.48Å; Y178-Y182 WeakPolarHBondContact O-CB 3.44Å; Y178-Y182 PolarHBondContact O-N 3.13Å; S179-Y182 PolarHBondContact O-N 3.18Å; L180-Y182 VanDerWaalsContact C-N 3.32Å; L180-Y182 PolarHBondContact O-N 3.14Å; Y182-F185 PolarHBondContact O-N 2.61Å; Y182-I186 HydrophobicContact CD1-CD1 3.84Å; Y182-I186 HydrophobicContact CD2-CD1 4.25Å; Y182-I186 HydrophobicContact CE1-CD1 3.34Å; Y182-I186 HydrophobicContact CE2-CD1 3.81Å; Y182-I186 HydrophobicContact CG-CD1 4.27Å; Y182-I186 WeakPolarHBondContact O-CG1 3.44Å; Y182-I186 PolarHBondContact O-N 2.94Å
183C98.5Very high97Very high14 Ų1429 Ų2910%0.09516%0.163CC..Hα-helixtrans-65.9-42.1178.9-670000112.5S179 L180 I186 A187 A218 S222S179-C183 WeakPolarHBondContact O-CB 3.12Å; S179-C183 PolarHBondContact O-N 2.99Å; S179-C183 PolarHBondContact O-SG 2.78Å; L180-C183 PolarHBondContact O-N 3.38Å; C183-I186 PolarHBondContact O-N 2.81Å; C183-A187 WeakPolarHBondContact O-CB 3.4Å; C183-A187 PolarHBondContact O-N 3.5Å; C183-A218 WeakPolarHBondContact CB-O 3.22Å; C183-S222 WeakPolarHBondContact CB-OG 3.41Å
184L98.5Very high96.4Very high81 Ų8130.1 Ų30.142%0.42417%0.167SC..Hα-helixtrans-64.2-41.2176.4-72174.2000111.7L180 A187 A188 S222L180-L184 HydrophobicContact CD1-CD1 3.8Å; L180-L184 HydrophobicContact CD1-CG 3.89Å; L180-L184 HydrophobicContact CG-CD1 3.83Å; L180-L184 HydrophobicContact CG-CG 4.34Å; L180-L184 WeakPolarHBondContact O-CB 3.4Å; L180-L184 VanDerWaalsContact O-CG 3.27Å; L180-L184 WeakPolarHBondContact O-CG 3.29Å; L180-L184 PolarHBondContact O-N 2.94Å; L184-A187 PolarHBondContact O-N 3.1Å; L184-A188 WeakPolarHBondContact O-CB 3.34Å; L184-A188 PolarHBondContact O-N 3.12Å; L184-S222 PolarHBondContact N-OG 3.13Å
185F98.4Very high95.9Very high43 Ų4334 Ų3419%0.18919%0.187CC..Hα-helixtrans-62.1-47.5177176.7-95.2000111.5Y37 A58 Y59 L62 L181 Y182 A188 T189Y37-F185 HydrophobicContact CE1-CE1 4.05Å; Y37-F185 AromaticContact CZ-CE1 3.68Å; Y37-F185 WeakPolarHBondContact OH-CE1 3.45Å; A58-F185 HydrophobicContact CB-CE2 3.74Å; A58-F185 HydrophobicContact CB-CZ 3.7Å; Y59-F185 HydrophobicContact CD2-CD1 4.44Å; Y59-F185 HydrophobicContact CD2-CE1 4.25Å; L62-F185 HydrophobicContact CD1-CB 3.64Å; L62-F185 HydrophobicContact CD1-CD1 4.11Å; L62-F185 HydrophobicContact CD1-CD2 4.04Å; L62-F185 HydrophobicContact CD1-CG 3.65Å; L181-F185 WeakPolarHBondContact O-CB 3.36Å; L181-F185 PolarHBondContact O-N 3.33Å; Y182-F185 PolarHBondContact O-N 2.61Å; F185-A188 PolarHBondContact O-N 3.28Å; F185-T189 HydrophobicContact CD2-CG2 4.34Å; F185-T189 HydrophobicContact CE1-CG2 4.35Å; F185-T189 HydrophobicContact CE2-CG2 3.96Å; F185-T189 HydrophobicContact CZ-CG2 3.96Å; F185-T189 WeakPolarHBondContact O-CB 3.22Å; F185-T189 WeakPolarHBondContact O-CG2 3.44Å; F185-T189 PolarHBondContact O-N 3.35Å; F185-T189 PolarHBondContact O-OG1 3.38Å
186I98Very high95.3Very high2 Ų237.4 Ų37.41%0.0120%0.202CC..Hα-helixtrans-58.3-54.6174.6-71.8168.1000110.1Y37 Y59 Y182 C183 A188 T189 D190 L214 A218Y37-I186 HydrophobicContact CD2-CB 4.35Å; Y37-I186 HydrophobicContact CD2-CG1 3.81Å; Y37-I186 HydrophobicContact CD2-CG2 4.13Å; Y37-I186 HydrophobicContact CE2-CB 4.41Å; Y37-I186 HydrophobicContact CE2-CG1 4.07Å; Y37-I186 HydrophobicContact CE2-CG2 4.47Å; Y37-I186 HydrophobicContact CG-CG1 4.41Å; Y59-I186 HydrophobicContact CE2-CD1 4.16Å; Y59-I186 HydrophobicContact CE2-CG1 4.22Å; Y182-I186 HydrophobicContact CD1-CD1 3.84Å; Y182-I186 HydrophobicContact CD2-CD1 4.25Å; Y182-I186 HydrophobicContact CE1-CD1 3.34Å; Y182-I186 HydrophobicContact CE2-CD1 3.81Å; Y182-I186 HydrophobicContact CG-CD1 4.27Å; Y182-I186 WeakPolarHBondContact O-CG1 3.44Å; Y182-I186 PolarHBondContact O-N 2.94Å; C183-I186 PolarHBondContact O-N 2.81Å; I186-A188 VanDerWaalsContact C-N 3.3Å; I186-A188 PolarHBondContact O-N 3.41Å; I186-T189 PolarHBondContact O-N 3.44Å; I186-T189 PolarHBondContact O-OG1 2.08Å; I186-D190 WeakPolarHBondContact O-CB 3.47Å; I186-D190 PolarHBondContact O-N 3.35Å; I186-L214 HydrophobicContact CD1-CD1 4.45Å; I186-L214 HydrophobicContact CG2-CD1 3.91Å; I186-L214 HydrophobicContact CG2-CD2 3.95Å; I186-L214 HydrophobicContact CG2-CG 3.57Å; I186-A218 HydrophobicContact CB-CB 4.04Å; I186-A218 HydrophobicContact CG2-CB 3.65Å
187A97.6Very high94.3Very high15 Ų1539.7 Ų39.712%0.12421%0.212CC..Hα-helixtrans-59.4-41.2-176.500000112.2C183 L184 L191 F215 A218C183-A187 WeakPolarHBondContact O-CB 3.4Å; C183-A187 PolarHBondContact O-N 3.5Å; L184-A187 PolarHBondContact O-N 3.1Å; A187-L191 WeakPolarHBondContact O-CB 3.36Å; A187-L191 PolarHBondContact O-N 3Å; A187-F215 HydrophobicContact CB-CE2 4.39Å; A187-F215 WeakPolarHBondContact O-CE2 3.36Å; A187-A218 HydrophobicContact CB-CB 4.17Å
188A96.9Very high93.5Very high71 Ų7146.1 Ų46.159%0.58723%0.232SC*.Hα-helixtrans-67.6-44.2179.700000112.7L184 F185 I186L184-A188 WeakPolarHBondContact O-CB 3.34Å; L184-A188 PolarHBondContact O-N 3.12Å; F185-A188 PolarHBondContact O-N 3.28Å; I186-A188 VanDerWaalsContact C-N 3.3Å; I186-A188 PolarHBondContact O-N 3.41Å
189T95.4Very high92.9Very high24 Ų2449.6 Ų49.615%0.14726%0.256CS..Hα-helixtrans-75.7-32.4-178.851.10000112.6Y37 F185 I186 Q192 Y193Y37-T189 VanDerWaalsContact CE2-OG1 3.24Å; Y37-T189 WeakPolarHBondContact CE2-OG1 3.25Å; Y37-T189 WeakPolarHBondContact OH-CB 3.33Å; Y37-T189 PolarHBondContact OH-OG1 3.03Å; F185-T189 HydrophobicContact CD2-CG2 4.34Å; F185-T189 HydrophobicContact CE1-CG2 4.35Å; F185-T189 HydrophobicContact CE2-CG2 3.96Å; F185-T189 HydrophobicContact CZ-CG2 3.96Å; F185-T189 WeakPolarHBondContact O-CB 3.22Å; F185-T189 WeakPolarHBondContact O-CG2 3.44Å; F185-T189 PolarHBondContact O-N 3.35Å; F185-T189 PolarHBondContact O-OG1 3.38Å; I186-T189 PolarHBondContact O-N 3.44Å; I186-T189 PolarHBondContact O-OG1 2.08Å; T189-Q192 WeakPolarHBondContact O-CG 3.5Å; T189-Q192 PolarHBondContact O-NE2 2.99Å; T189-Y193 WeakPolarHBondContact O-CD2 3.47Å
190D93.7Very high91.6Very high0 Ų056.6 Ų56.60%029%0.293CS..Hα-helixtrans-78-24.8178.5-165.936000112.7L41 I186 Q192 Y193 F194 I211 F215L41-D190 HydrophobicContact CD2-CB 4.17Å; I186-D190 WeakPolarHBondContact O-CB 3.47Å; I186-D190 PolarHBondContact O-N 3.35Å; D190-Q192 VanDerWaalsContact C-N 3.28Å; D190-Q192 PolarHBondContact O-N 3.25Å; D190-Q192 VanDerWaalsContact O-N 3.16Å; D190-Y193 CarbonylContact O-C 3.56Å; D190-Y193 PolarHBondContact O-N 3.26Å; D190-F194 WeakPolarHBondContact O-CB 3.21Å; D190-F194 PolarHBondContact O-N 3.48Å; D190-I211 WeakPolarHBondContact OD1-CG2 3.49Å; D190-I211 VanDerWaalsContact OD2-O 3.09Å; D190-F215 HydrophobicContact CB-CD2 4.48Å; D190-F215 WeakPolarHBondContact OD2-CA 3.42Å; D190-F215 VanDerWaalsContact OD2-CB 3.27Å; D190-F215 WeakPolarHBondContact OD2-CB 3.46Å; D190-F215 PolarHBondContact OD2-N 3.5Å
191L93.7Very high90Very high77 Ų7758.1 Ų58.140%0.40331%0.313SS..Hα-helixtrans-52.1-42.5-177.7178.860.7000113.3A187 Y193 F194 I195 F215A187-L191 WeakPolarHBondContact O-CB 3.36Å; A187-L191 PolarHBondContact O-N 3Å; L191-Y193 VanDerWaalsContact C-N 3.33Å; L191-Y193 PolarHBondContact O-N 3.16Å; L191-F194 WeakPolarHBondContact O-CB 3.34Å; L191-F194 PolarHBondContact O-N 3.46Å; L191-I195 HydrophobicContact CD1-CD1 4.08Å; L191-I195 HydrophobicContact CD1-CG1 4.3Å; L191-I195 HydrophobicContact CG-CD1 4.01Å; L191-I195 VanDerWaalsContact O-CG1 3.26Å; L191-I195 WeakPolarHBondContact O-CG1 3.29Å; L191-I195 PolarHBondContact O-N 3.27Å; L191-F215 HydrophobicContact CB-CE2 4.04Å; L191-F215 HydrophobicContact CD1-CE2 3.82Å; L191-F215 HydrophobicContact CD1-CZ 3.83Å
192Q90.2Very high88.5Confident75 Ų7555.7 Ų55.735%0.3530%0.3SS..Hα-helixtrans-65.8-3617965.8-178.2-41.500112.4E51 T189 D190 I195 K196E51-Q192 PolarHBondContact OE1-NE2 3.25Å; T189-Q192 WeakPolarHBondContact O-CG 3.5Å; T189-Q192 PolarHBondContact O-NE2 2.99Å; D190-Q192 VanDerWaalsContact C-N 3.28Å; D190-Q192 PolarHBondContact O-N 3.25Å; D190-Q192 VanDerWaalsContact O-N 3.16Å; Q192-I195 PolarHBondContact O-N 3.34Å; Q192-K196 WeakPolarHBondContact O-CB 3.35Å; Q192-K196 WeakPolarHBondContact O-CG 3.38Å; Q192-K196 PolarHBondContact O-N 3.24Å
193Y87.6Confident87.1Confident7 Ų760 Ų603%0.02733%0.329CS..Hα-helixtrans-77.1-35.7178.5-66.3-84.7000110.9L41 M46 T189 D190 L191 K196 F197L41-Y193 HydrophobicContact CD1-CD1 4.05Å; L41-Y193 HydrophobicContact CD1-CD2 3.61Å; L41-Y193 HydrophobicContact CD1-CE2 4.24Å; L41-Y193 HydrophobicContact CD1-CG 3.52Å; L41-Y193 HydrophobicContact CG-CD2 4.45Å; M46-Y193 HydrophobicContact CG-CE1 4.26Å; M46-Y193 HydrophobicContact CG-CE2 4.22Å; M46-Y193 VanDerWaalsContact CG-OH 3.29Å; M46-Y193 WeakPolarHBondContact CG-OH 3.48Å; T189-Y193 WeakPolarHBondContact O-CD2 3.47Å; D190-Y193 CarbonylContact O-C 3.56Å; D190-Y193 PolarHBondContact O-N 3.26Å; L191-Y193 VanDerWaalsContact C-N 3.33Å; L191-Y193 PolarHBondContact O-N 3.16Å; Y193-K196 PolarHBondContact O-N 3.07Å; Y193-F197 WeakPolarHBondContact O-CB 3.49Å; Y193-F197 PolarHBondContact O-N 3.18Å
194F87.9Confident85.5Confident29 Ų2966 Ų6613%0.12736%0.361CS..Hα-helixtrans-59-44.7168.6-177.7-91.3000111.6D190 L191 F197 W198 M212 F215 F216D190-F194 WeakPolarHBondContact O-CB 3.21Å; D190-F194 PolarHBondContact O-N 3.48Å; L191-F194 WeakPolarHBondContact O-CB 3.34Å; L191-F194 PolarHBondContact O-N 3.46Å; F194-F197 WeakPolarHBondContact O-CB 3.29Å; F194-F197 PolarHBondContact O-N 3.14Å; F194-W198 AromaticContact CD1-CD1 3.88Å; F194-W198 AromaticContact CE1-CD1 3.54Å; F194-W198 AromaticContact CE1-NE1 3.39Å; F194-W198 AromaticContact CE2-NE1 3.56Å; F194-W198 AromaticContact CZ-CD1 3.78Å; F194-W198 AromaticContact CZ-NE1 3.11Å; F194-W198 PolarHBondContact O-N 3.06Å; F194-M212 HydrophobicContact CE2-CG 4.22Å; F194-F215 HydrophobicContact CB-CD2 4.49Å; F194-F215 HydrophobicContact CB-CG 4.39Å; F194-F215 HydrophobicContact CD1-CD1 4.4Å; F194-F215 HydrophobicContact CD1-CE1 4.44Å; F194-F215 HydrophobicContact CD2-CB 3.9Å; F194-F215 AromaticContact CD2-CD1 3.86Å; F194-F215 HydrophobicContact CD2-CD1 3.86Å; F194-F215 AromaticContact CD2-CG 3.94Å; F194-F215 HydrophobicContact CD2-CG 3.94Å; F194-F215 HydrophobicContact CE1-CD1 4.43Å; F194-F215 HydrophobicContact CE1-CE1 4.4Å; F194-F215 HydrophobicContact CE2-CB 4.46Å; F194-F215 AromaticContact CE2-CD1 3.89Å; F194-F215 HydrophobicContact CE2-CD1 3.89Å; F194-F215 HydrophobicContact CE2-CG 4.41Å; F194-F215 HydrophobicContact CG-CB 4.45Å; F194-F215 HydrophobicContact CG-CD1 4.11Å; F194-F215 HydrophobicContact CG-CG 4.12Å; F194-F215 HydrophobicContact CZ-CD1 4.18Å; F194-F215 HydrophobicContact CZ-CE1 4.47Å; F194-F216 HydrophobicContact CE2-CD2 4.46Å; F194-F216 AromaticContact CE2-CE2 3.78Å; F194-F216 HydrophobicContact CE2-CE2 3.78Å; F194-F216 AromaticContact CE2-CZ 3.95Å; F194-F216 HydrophobicContact CE2-CZ 3.95Å; F194-F216 HydrophobicContact CZ-CE2 4.12Å; F194-F216 AromaticContact CZ-CZ 3.81Å; F194-F216 HydrophobicContact CZ-CZ 3.81Å
195I88.6Confident84.3Confident90 Ų9065.6 Ų65.646%0.46236%0.362SS..Hα-helixtrans-64.8-47.5175.4-67.6164.1000110.6L191 Q192 F197 W198 T199L191-I195 HydrophobicContact CD1-CD1 4.08Å; L191-I195 HydrophobicContact CD1-CG1 4.3Å; L191-I195 HydrophobicContact CG-CD1 4.01Å; L191-I195 VanDerWaalsContact O-CG1 3.26Å; L191-I195 WeakPolarHBondContact O-CG1 3.29Å; L191-I195 PolarHBondContact O-N 3.27Å; Q192-I195 PolarHBondContact O-N 3.34Å; I195-F197 PolarHBondContact O-N 3.38Å; I195-W198 PolarHBondContact O-N 2.69Å; I195-T199 HydrophobicContact CG2-CG2 4.32Å; I195-T199 PolarHBondContact O-N 2.88Å; I195-T199 PolarHBondContact O-OG1 2.82Å
196K84.8Confident83.1Confident92 Ų9269.9 Ų69.940%0.438%0.382SS..Hα-helixtrans-57.5-33.9176.7-77.8179.3178.2-179.70112.8Q192 Y193 T199 N200 G201 L202Q192-K196 WeakPolarHBondContact O-CB 3.35Å; Q192-K196 WeakPolarHBondContact O-CG 3.38Å; Q192-K196 PolarHBondContact O-N 3.24Å; Y193-K196 PolarHBondContact O-N 3.07Å; K196-T199 WeakPolarHBondContact CA-OG1 3.36Å; K196-T199 PolarHBondContact O-N 3.48Å; K196-T199 PolarHBondContact O-OG1 3.23Å; K196-N200 PolarHBondContact O-N 2.58Å; K196-G201 WeakPolarHBondContact O-CA 3.16Å; K196-G201 PolarHBondContact O-N 2.81Å; K196-L202 HydrophobicContact CB-CD1 4.12Å; K196-L202 HydrophobicContact CB-CG 4.2Å
197F78.8Confident81.9Confident50 Ų5070 Ų7022%0.21938%0.383CS..Hα-helixtrans-60.5-49.2173.4164.6-92.9000111.5Y193 F194 I195 T199 N200 K208Y193-F197 WeakPolarHBondContact O-CB 3.49Å; Y193-F197 PolarHBondContact O-N 3.18Å; F194-F197 WeakPolarHBondContact O-CB 3.29Å; F194-F197 PolarHBondContact O-N 3.14Å; I195-F197 PolarHBondContact O-N 3.38Å; F197-T199 VanDerWaalsContact C-N 3.3Å; F197-T199 PolarHBondContact O-N 3.39Å; F197-N200 PolarHBondContact O-N 3.29Å; F197-K208 HydrophobicContact CD2-CB 4.22Å; F197-K208 HydrophobicContact CD2-CD 4.13Å; F197-K208 HydrophobicContact CD2-CG 4.02Å; F197-K208 HydrophobicContact CE2-CB 4.01Å; F197-K208 HydrophobicContact CE2-CD 3.94Å; F197-K208 HydrophobicContact CE2-CG 4.12Å
198W81.1Confident80.9Confident155 Ų15570.8 Ų70.859%0.58738%0.384SS*.Hα-helixtrans-72-22.3-179.2-72.7106.5000113.8F194 I195 N200F194-W198 AromaticContact CD1-CD1 3.88Å; F194-W198 AromaticContact CE1-CD1 3.54Å; F194-W198 AromaticContact CE1-NE1 3.39Å; F194-W198 AromaticContact CE2-NE1 3.56Å; F194-W198 AromaticContact CZ-CD1 3.78Å; F194-W198 AromaticContact CZ-NE1 3.11Å; F194-W198 PolarHBondContact O-N 3.06Å; I195-W198 PolarHBondContact O-N 2.69Å; W198-N200 VanDerWaalsContact C-N 3.33Å
199T86Confident80.3Confident97 Ų9773.7 Ų73.760%0.59538%0.384SS*.THydrogen-bonded Turntrans-92.114.5177.5610000113.8I195 K196 F197 G201I195-T199 HydrophobicContact CG2-CG2 4.32Å; I195-T199 PolarHBondContact O-N 2.88Å; I195-T199 PolarHBondContact O-OG1 2.82Å; K196-T199 WeakPolarHBondContact CA-OG1 3.36Å; K196-T199 PolarHBondContact O-N 3.48Å; K196-T199 PolarHBondContact O-OG1 3.23Å; F197-T199 VanDerWaalsContact C-N 3.3Å; F197-T199 PolarHBondContact O-N 3.39Å; T199-G201 PolarHBondContact O-N 3.02Å
200N71Confident80Confident152 Ų15274.4 Ų74.481%0.81339%0.385SS*.THydrogen-bonded Turntrans6024.3-177.4-61.3-51.1000114.6K196 F197 W198 L202K196-N200 PolarHBondContact O-N 2.58Å; F197-N200 PolarHBondContact O-N 3.29Å; W198-N200 VanDerWaalsContact C-N 3.33Å; N200-L202 VanDerWaalsContact C-N 3.33Å; N200-L202 PolarHBondContact O-N 3.37Å
201G66.8Low79.6Confident52 Ų5274.6 Ų74.654%0.53639%0.386SS..  trans-83.1-0.5-179.400000115.2K196 T199K196-G201 WeakPolarHBondContact O-CA 3.16Å; K196-G201 PolarHBondContact O-N 2.81Å; T199-G201 PolarHBondContact O-N 3.02Å
202L67.4Low79.3Confident35 Ų3573.7 Ų73.718%0.18338%0.381CS..SBendtrans-130.9135.1-177-69.2171.3000112.7K196 N200 K208K196-L202 HydrophobicContact CB-CD1 4.12Å; K196-L202 HydrophobicContact CB-CG 4.2Å; N200-L202 VanDerWaalsContact C-N 3.33Å; N200-L202 PolarHBondContact O-N 3.37Å; L202-K208 VanDerWaalsContact O-CE 3.23Å; L202-K208 WeakPolarHBondContact O-CE 3.47Å; L202-K208 PolarHBondContact O-NZ 2.9Å
203P68.3Low79.4Confident98 Ų9875.6 Ų75.664%0.63639%0.388SS*.  trans-66.7146.1-179.325.3-32.3000113T205 K208P203-T205 PolarHBondContact O-N 3.44Å; P203-T205 PolarHBondContact O-OG1 3.33Å; P203-K208 VanDerWaalsContact C-CE 3.5Å; P203-K208 WeakPolarHBondContact O-CE 3.46Å
204D65.6Low79.7Confident142 Ų14275.4 Ų75.476%0.75939%0.387SS*.SBendtrans-69.889.6-173.1-150.635.3000114K208D204-K208 VanDerWaalsContact CA-CE 3.4Å; D204-K208 HydrophobicContact CB-CD 4.44Å; D204-K208 WeakPolarHBondContact OD1-CD 3.24Å; D204-K208 WeakPolarHBondContact OD1-CE 3.22Å; D204-K208 IonicContact OD1-NZ 3.56Å; D204-K208 PolarHBondContact OD1-NZ 2.81Å
205T72.2Confident80Confident71 Ų7175.8 Ų75.844%0.43639%0.389SS..SBendtrans-131.7163.4-175.658.10000111.6P203 A207 K208P203-T205 PolarHBondContact O-N 3.44Å; P203-T205 PolarHBondContact O-OG1 3.33Å; T205-A207 PolarHBondContact O-N 3.4Å; T205-A207 VanDerWaalsContact O-N 3.07Å; T205-K208 VanDerWaalsContact O-CB 3.25Å; T205-K208 WeakPolarHBondContact O-CB 3.42Å; T205-K208 WeakPolarHBondContact O-CG 3.25Å; T205-K208 PolarHBondContact O-N 2.83Å
206Q73.4Confident80.3Confident134 Ų13476.5 Ų76.563%0.62639%0.389SS*.THydrogen-bonded Turntrans-53.9-27176.1-71.6-67.9-29.300113.4K208 F209 H210Q206-K208 PolarHBondContact O-N 3.47Å; Q206-K208 VanDerWaalsContact O-N 3.15Å; Q206-F209 PolarHBondContact O-N 3.37Å; Q206-H210 PolarHBondContact O-CD2 3.34Å
207A72.8Confident80.8Confident3 Ų372.6 Ų72.63%0.02537%0.374CS..Hα-helixtrans-54-32.1173.900000112.5Q40 V44 T205 F209 H210 I211Q40-A207 HydrophobicContact CB-CB 4.37Å; Q40-A207 VanDerWaalsContact OE1-CA 3.3Å; Q40-A207 VanDerWaalsContact OE1-CB 3.29Å; V44-A207 HydrophobicContact CG1-CB 4.45Å; T205-A207 PolarHBondContact O-N 3.4Å; T205-A207 VanDerWaalsContact O-N 3.07Å; A207-F209 PolarHBondContact O-N 3.49Å; A207-H210 PolarHBondContact O-N 2.95Å; A207-I211 HydrophobicContact CB-CD1 4.42Å; A207-I211 VanDerWaalsContact O-CG1 3.22Å; A207-I211 WeakPolarHBondContact O-CG1 3.13Å; A207-I211 PolarHBondContact O-N 3.27Å
208K76.6Confident81.7Confident32 Ų3270.5 Ų70.514%0.13937%0.366CS..Hα-helixtrans-59.3-46.6-178.8-72.1-178.1161.9-175.50113.9F197 L202 P203 D204 T205 Q206 H210 M212F197-K208 HydrophobicContact CD2-CB 4.22Å; F197-K208 HydrophobicContact CD2-CD 4.13Å; F197-K208 HydrophobicContact CD2-CG 4.02Å; F197-K208 HydrophobicContact CE2-CB 4.01Å; F197-K208 HydrophobicContact CE2-CD 3.94Å; F197-K208 HydrophobicContact CE2-CG 4.12Å; L202-K208 VanDerWaalsContact O-CE 3.23Å; L202-K208 WeakPolarHBondContact O-CE 3.47Å; L202-K208 PolarHBondContact O-NZ 2.9Å; P203-K208 VanDerWaalsContact C-CE 3.5Å; P203-K208 WeakPolarHBondContact O-CE 3.46Å; D204-K208 VanDerWaalsContact CA-CE 3.4Å; D204-K208 HydrophobicContact CB-CD 4.44Å; D204-K208 WeakPolarHBondContact OD1-CD 3.24Å; D204-K208 WeakPolarHBondContact OD1-CE 3.22Å; D204-K208 IonicContact OD1-NZ 3.56Å; D204-K208 PolarHBondContact OD1-NZ 2.81Å; T205-K208 VanDerWaalsContact O-CB 3.25Å; T205-K208 WeakPolarHBondContact O-CB 3.42Å; T205-K208 WeakPolarHBondContact O-CG 3.25Å; T205-K208 PolarHBondContact O-N 2.83Å; Q206-K208 PolarHBondContact O-N 3.47Å; Q206-K208 VanDerWaalsContact O-N 3.15Å; K208-H210 VanDerWaalsContact C-N 3.32Å; K208-H210 PolarHBondContact O-N 3.48Å; K208-M212 PolarHBondContact O-N 3.49Å; K208-M212 VanDerWaalsContact O-N 3.08Å
209F84.7Confident82.5Confident133 Ų13364.8 Ų64.858%0.58335%0.352SS*.Hα-helixtrans-66.9-38-178.5-69.7-70.8000111.6Q206 A207 F213Q206-F209 PolarHBondContact O-N 3.37Å; A207-F209 PolarHBondContact O-N 3.49Å; F209-F213 WeakPolarHBondContact O-CB 3.42Å; F209-F213 PolarHBondContact O-N 3.45Å; F209-F213 VanDerWaalsContact O-N 3.12Å
210H88.8Confident83Confident38 Ų3866.1 Ų66.118%0.17635%0.353CS..Hα-helixtrans-65.2-48.2178.1-74.2-71.6000111.9W32 Y35 A36 Q40 Q206 A207 K208 F213 L214W32-H210 AromaticContact CE2-ND1 3.97Å; W32-H210 AromaticContact NE1-CE1 3.6Å; W32-H210 AromaticContact NE1-ND1 3.19Å; W32-H210 PolarHBondContact NE1-ND1 3.31Å; W32-H210 VanDerWaalsContact NE1-ND1 3.19Å; Y35-H210 AromaticContact CE1-CE1 3.64Å; Y35-H210 AromaticContact CE1-NE2 3.65Å; A36-H210 HydrophobicContact CB-CB 4.04Å; Q40-H210 HydrophobicContact CB-CB 4.22Å; Q40-H210 HydrophobicContact CG-CB 4.22Å; Q206-H210 PolarHBondContact O-CD2 3.34Å; A207-H210 PolarHBondContact O-N 2.95Å; K208-H210 VanDerWaalsContact C-N 3.32Å; K208-H210 PolarHBondContact O-N 3.48Å; H210-F213 PolarHBondContact O-N 3.24Å; H210-L214 WeakPolarHBondContact O-CB 3.36Å; H210-L214 PolarHBondContact O-N 3.47Å
211I84.7Confident84.2Confident4 Ų462 Ų622%0.02133%0.328CS..Hα-helixtrans-58.9-51.1178.4-69.7171.5000110.5L41 D190 A207 F213 L214 F215L41-I211 HydrophobicContact CB-CG1 4.5Å; L41-I211 HydrophobicContact CD1-CD1 3.96Å; L41-I211 HydrophobicContact CD1-CG1 4.03Å; D190-I211 WeakPolarHBondContact OD1-CG2 3.49Å; D190-I211 VanDerWaalsContact OD2-O 3.09Å; A207-I211 HydrophobicContact CB-CD1 4.42Å; A207-I211 VanDerWaalsContact O-CG1 3.22Å; A207-I211 WeakPolarHBondContact O-CG1 3.13Å; A207-I211 PolarHBondContact O-N 3.27Å; I211-F213 PolarHBondContact O-N 3.24Å; I211-L214 WeakPolarHBondContact O-CB 3.43Å; I211-L214 PolarHBondContact O-N 3.33Å; I211-F215 PolarHBondContact O-N 2.85Å
212M87.5Confident85.7Confident59 Ų5959.9 Ų59.929%0.29131%0.305SS..Hα-helixtrans-60.1-48.4-179.1-174.6-174.768.900112.5F194 K208 L214 F215 F216F194-M212 HydrophobicContact CE2-CG 4.22Å; K208-M212 PolarHBondContact O-N 3.49Å; K208-M212 VanDerWaalsContact O-N 3.08Å; M212-L214 VanDerWaalsContact C-N 3.28Å; M212-L214 PolarHBondContact O-N 3.44Å; M212-F215 PolarHBondContact O-N 3.46Å; M212-F216 HydrophobicContact CG-CD2 4Å; M212-F216 HydrophobicContact CG-CE2 3.78Å; M212-F216 WeakPolarHBondContact O-CD2 3.47Å; M212-F216 PolarHBondContact O-N 2.94Å; M212-F216 HydrophobicContact SD-CE2 4.47Å
213F92.1Very high87.2Confident115 Ų11563.4 Ų63.450%0.50433%0.327SS..Hα-helixtrans-68.1-31.8-179.6-171.9-108000111.6W32 F209 H210 I211 A217W32-F213 HydrophobicContact CH2-CB 4.35Å; W32-F213 AromaticContact CH2-CD1 3.27Å; W32-F213 HydrophobicContact CH2-CD1 3.27Å; W32-F213 AromaticContact CH2-CE1 3.9Å; W32-F213 HydrophobicContact CH2-CE1 3.9Å; W32-F213 HydrophobicContact CH2-CG 4.22Å; W32-F213 HydrophobicContact CZ2-CB 4.24Å; W32-F213 AromaticContact CZ2-CD1 3.4Å; W32-F213 HydrophobicContact CZ2-CD1 3.4Å; W32-F213 VanDerWaalsContact CZ2-CD1 3.4Å; W32-F213 HydrophobicContact CZ2-CE1 4.21Å; W32-F213 HydrophobicContact CZ2-CG 4.3Å; W32-F213 AromaticContact CZ3-CD1 3.88Å; W32-F213 HydrophobicContact CZ3-CD1 3.88Å; W32-F213 HydrophobicContact CZ3-CE1 4.04Å; F209-F213 WeakPolarHBondContact O-CB 3.42Å; F209-F213 PolarHBondContact O-N 3.45Å; F209-F213 VanDerWaalsContact O-N 3.12Å; H210-F213 PolarHBondContact O-N 3.24Å; I211-F213 PolarHBondContact O-N 3.24Å; F213-A217 WeakPolarHBondContact O-CB 3.39Å; F213-A217 PolarHBondContact O-N 3.04Å
214L94.2Very high88.5Confident3 Ų362.1 Ų62.12%0.01632%0.32CS..Hα-helixtrans-64.3-47.7176.8-174.365.2000112W32 A36 Y37 I186 H210 I211 M212 A217 A218W32-L214 HydrophobicContact CH2-CB 3.93Å; W32-L214 HydrophobicContact CH2-CD1 3.91Å; W32-L214 HydrophobicContact CZ3-CD1 4.02Å; A36-L214 HydrophobicContact CB-CD1 4.36Å; A36-L214 HydrophobicContact CB-CD2 4.06Å; Y37-L214 HydrophobicContact CD2-CD2 3.93Å; Y37-L214 HydrophobicContact CG-CD2 4.44Å; I186-L214 HydrophobicContact CD1-CD1 4.45Å; I186-L214 HydrophobicContact CG2-CD1 3.91Å; I186-L214 HydrophobicContact CG2-CD2 3.95Å; I186-L214 HydrophobicContact CG2-CG 3.57Å; H210-L214 WeakPolarHBondContact O-CB 3.36Å; H210-L214 PolarHBondContact O-N 3.47Å; I211-L214 WeakPolarHBondContact O-CB 3.43Å; I211-L214 PolarHBondContact O-N 3.33Å; M212-L214 VanDerWaalsContact C-N 3.28Å; M212-L214 PolarHBondContact O-N 3.44Å; L214-A217 PolarHBondContact O-N 2.77Å; L214-A218 WeakPolarHBondContact O-CB 3.07Å; L214-A218 PolarHBondContact O-N 3.19Å
215F94.9Very high90.1Very high36 Ų3656.3 Ų56.316%0.15829%0.289CS..Hα-helixtrans-56-53.5175.2-175.6-103.3000111.9A187 D190 L191 F194 I211 M212 A217 A218 A219A187-F215 HydrophobicContact CB-CE2 4.39Å; A187-F215 WeakPolarHBondContact O-CE2 3.36Å; D190-F215 HydrophobicContact CB-CD2 4.48Å; D190-F215 WeakPolarHBondContact OD2-CA 3.42Å; D190-F215 VanDerWaalsContact OD2-CB 3.27Å; D190-F215 WeakPolarHBondContact OD2-CB 3.46Å; D190-F215 PolarHBondContact OD2-N 3.5Å; L191-F215 HydrophobicContact CB-CE2 4.04Å; L191-F215 HydrophobicContact CD1-CE2 3.82Å; L191-F215 HydrophobicContact CD1-CZ 3.83Å; F194-F215 HydrophobicContact CB-CD2 4.49Å; F194-F215 HydrophobicContact CB-CG 4.39Å; F194-F215 HydrophobicContact CD1-CD1 4.4Å; F194-F215 HydrophobicContact CD1-CE1 4.44Å; F194-F215 HydrophobicContact CD2-CB 3.9Å; F194-F215 AromaticContact CD2-CD1 3.86Å; F194-F215 HydrophobicContact CD2-CD1 3.86Å; F194-F215 AromaticContact CD2-CG 3.94Å; F194-F215 HydrophobicContact CD2-CG 3.94Å; F194-F215 HydrophobicContact CE1-CD1 4.43Å; F194-F215 HydrophobicContact CE1-CE1 4.4Å; F194-F215 HydrophobicContact CE2-CB 4.46Å; F194-F215 AromaticContact CE2-CD1 3.89Å; F194-F215 HydrophobicContact CE2-CD1 3.89Å; F194-F215 HydrophobicContact CE2-CG 4.41Å; F194-F215 HydrophobicContact CG-CB 4.45Å; F194-F215 HydrophobicContact CG-CD1 4.11Å; F194-F215 HydrophobicContact CG-CG 4.12Å; F194-F215 HydrophobicContact CZ-CD1 4.18Å; F194-F215 HydrophobicContact CZ-CE1 4.47Å; I211-F215 PolarHBondContact O-N 2.85Å; M212-F215 PolarHBondContact O-N 3.46Å; F215-A217 PolarHBondContact O-N 3.45Å; F215-A218 PolarHBondContact O-N 2.96Å; F215-A219 WeakPolarHBondContact O-CB 3.5Å; F215-A219 PolarHBondContact O-N 2.92Å
216F94.8Very high91.3Very high105 Ų10555.4 Ų55.446%0.46129%0.286SS..Hα-helixtrans-64.6-42.4-177.3-75.6-61.1000112.6F194 M212 M220F194-F216 HydrophobicContact CE2-CD2 4.46Å; F194-F216 AromaticContact CE2-CE2 3.78Å; F194-F216 HydrophobicContact CE2-CE2 3.78Å; F194-F216 AromaticContact CE2-CZ 3.95Å; F194-F216 HydrophobicContact CE2-CZ 3.95Å; F194-F216 HydrophobicContact CZ-CE2 4.12Å; F194-F216 AromaticContact CZ-CZ 3.81Å; F194-F216 HydrophobicContact CZ-CZ 3.81Å; M212-F216 HydrophobicContact CG-CD2 4Å; M212-F216 HydrophobicContact CG-CE2 3.78Å; M212-F216 WeakPolarHBondContact O-CD2 3.47Å; M212-F216 PolarHBondContact O-N 2.94Å; M212-F216 HydrophobicContact SD-CE2 4.47Å; F216-M220 VanDerWaalsContact O-CB 3.3Å; F216-M220 WeakPolarHBondContact O-CB 3.36Å; F216-M220 PolarHBondContact O-N 2.99Å
217A96Very high92.5Very high11 Ų1153 Ų539%0.09128%0.284CS..Hα-helixtrans-61.6-49.7175.600000110.7F213 L214 F215 A219 M220 F221F213-A217 WeakPolarHBondContact O-CB 3.39Å; F213-A217 PolarHBondContact O-N 3.04Å; L214-A217 PolarHBondContact O-N 2.77Å; F215-A217 PolarHBondContact O-N 3.45Å; A217-A219 PolarHBondContact O-N 3.1Å; A217-M220 PolarHBondContact O-N 3.46Å; A217-F221 VanDerWaalsContact O-CD2 3.23Å; A217-F221 WeakPolarHBondContact O-CD2 3.32Å; A217-F221 PolarHBondContact O-N 3.27Å
218A97.6Very high93.7Very high6 Ų656.1 Ų56.15%0.0530%0.3CS..Hα-helixtrans-60.9-43179.800000112.2C183 I186 A187 L214 F215 S222C183-A218 WeakPolarHBondContact CB-O 3.22Å; I186-A218 HydrophobicContact CB-CB 4.04Å; I186-A218 HydrophobicContact CG2-CB 3.65Å; A187-A218 HydrophobicContact CB-CB 4.17Å; L214-A218 WeakPolarHBondContact O-CB 3.07Å; L214-A218 PolarHBondContact O-N 3.19Å; F215-A218 PolarHBondContact O-N 2.96Å; A218-S222 VanDerWaalsContact O-CB 3.32Å; A218-S222 WeakPolarHBondContact O-CB 3.36Å; A218-S222 PolarHBondContact O-N 3.42Å; A218-S222 PolarHBondContact O-OG 3.49Å
219A96.8Very high94.8Very high35 Ų3557.3 Ų57.329%0.28931%0.305SS..Hα-helixtrans-64.2-46.617700000112.3F215 A217 F221 S222 V223F215-A219 WeakPolarHBondContact O-CB 3.5Å; F215-A219 PolarHBondContact O-N 2.92Å; A217-A219 PolarHBondContact O-N 3.1Å; A219-F221 PolarHBondContact O-N 3.18Å; A219-S222 WeakPolarHBondContact O-CB 3.4Å; A219-S222 PolarHBondContact O-N 3.41Å; A219-V223 PolarHBondContact O-N 3.23Å; A219-V223 VanDerWaalsContact O-N 3.1Å
220M96.9Very high95.4Very high124 Ų12452.8 Ų52.861%0.61130%0.296SS*.Hα-helixtrans-61.1-46.6179-177-165.2-55.600112.1F216 A217 S222 V223 S224F216-M220 VanDerWaalsContact O-CB 3.3Å; F216-M220 WeakPolarHBondContact O-CB 3.36Å; F216-M220 PolarHBondContact O-N 2.99Å; A217-M220 PolarHBondContact O-N 3.46Å; M220-S222 VanDerWaalsContact C-N 3.35Å; M220-V223 PolarHBondContact O-N 2.99Å; M220-S224 PolarHBondContact O-N 2.89Å; M220-S224 PolarHBondContact O-OG 3.41Å; M220-S224 VanDerWaalsContact O-OG 3.07Å
221F97.2Very high95.9Very high67 Ų6754.7 Ų54.729%0.29430%0.302SS..Hα-helixtrans-65.3-38.8175.7-82.3-70.3000111.4L29 A217 A219 V223 S224 L225L29-F221 HydrophobicContact CD2-CD2 4.39Å; L29-F221 HydrophobicContact CD2-CE2 3.47Å; L29-F221 VanDerWaalsContact CD2-CE2 3.47Å; L29-F221 HydrophobicContact CD2-CZ 3.69Å; A217-F221 VanDerWaalsContact O-CD2 3.23Å; A217-F221 WeakPolarHBondContact O-CD2 3.32Å; A217-F221 PolarHBondContact O-N 3.27Å; A219-F221 PolarHBondContact O-N 3.18Å; F221-V223 PolarHBondContact O-N 3.46Å; F221-S224 PolarHBondContact O-N 3.26Å; F221-L225 HydrophobicContact CB-CD1 4.18Å; F221-L225 WeakPolarHBondContact O-CB 3.49Å; F221-L225 WeakPolarHBondContact O-CD1 3.33Å; F221-L225 WeakPolarHBondContact O-CG 3.32Å; F221-L225 PolarHBondContact O-N 3.35Å
222S97.9Very high96.6Very high7 Ų754.7 Ų54.75%0.04930%0.302CS..Hα-helixtrans-58.4-45.1177.6-62.30000112.2L180 C183 L184 A218 A219 M220 S226L180-S222 WeakPolarHBondContact CD1-O 3.26Å; C183-S222 WeakPolarHBondContact CB-OG 3.41Å; L184-S222 PolarHBondContact N-OG 3.13Å; A218-S222 VanDerWaalsContact O-CB 3.32Å; A218-S222 WeakPolarHBondContact O-CB 3.36Å; A218-S222 PolarHBondContact O-N 3.42Å; A218-S222 PolarHBondContact O-OG 3.49Å; A219-S222 WeakPolarHBondContact O-CB 3.4Å; A219-S222 PolarHBondContact O-N 3.41Å; M220-S222 VanDerWaalsContact C-N 3.35Å; S222-S226 VanDerWaalsContact O-CB 3.27Å; S222-S226 WeakPolarHBondContact O-CB 3.24Å; S222-S226 PolarHBondContact O-N 3.02Å; S222-S226 PolarHBondContact O-OG 3.28Å
223V97.4Very high97.1Very high109 Ų10954.4 Ų54.466%0.66131%0.306SS*.Hα-helixtrans-62.2-48.8177.61740000111.1A219 M220 F221 L225 S226 S227A219-V223 PolarHBondContact O-N 3.23Å; A219-V223 VanDerWaalsContact O-N 3.1Å; M220-V223 PolarHBondContact O-N 2.99Å; F221-V223 PolarHBondContact O-N 3.46Å; V223-L225 PolarHBondContact O-N 3.45Å; V223-S226 PolarHBondContact O-N 3.38Å; V223-S227 PolarHBondContact O-N 3.48Å
224S96.8Very high97.4Very high70 Ų7054.4 Ų54.449%0.4930%0.302SS..Hα-helixtrans-64.6-40.8-179.1-54.10000112.5M220 F221 S227 L228M220-S224 PolarHBondContact O-N 2.89Å; M220-S224 PolarHBondContact O-OG 3.41Å; M220-S224 VanDerWaalsContact O-OG 3.07Å; F221-S224 PolarHBondContact O-N 3.26Å; S224-S227 PolarHBondContact O-OG 2.81Å; S224-L228 PolarHBondContact O-N 2.8Å
225L98.3Very high97.6Very high21 Ų2154.2 Ų54.211%0.1130%0.301CS..Hα-helixtrans-72.5-34.2179.2-71.7166.5000112.1L176 L180 F221 V223 S227 L228 F229L176-L225 HydrophobicContact CD2-CD2 3.97Å; L180-L225 HydrophobicContact CB-CB 4.27Å; L180-L225 HydrophobicContact CD1-CB 4.25Å; F221-L225 HydrophobicContact CB-CD1 4.18Å; F221-L225 WeakPolarHBondContact O-CB 3.49Å; F221-L225 WeakPolarHBondContact O-CD1 3.33Å; F221-L225 WeakPolarHBondContact O-CG 3.32Å; F221-L225 PolarHBondContact O-N 3.35Å; V223-L225 PolarHBondContact O-N 3.45Å; L225-S227 VanDerWaalsContact C-N 3.35Å; L225-S227 PolarHBondContact O-N 3.25Å; L225-L228 PolarHBondContact O-N 3.29Å; L225-F229 WeakPolarHBondContact O-CB 3.14Å; L225-F229 PolarHBondContact O-N 3.49Å
226S98.4Very high97.8Very high51 Ų5152.8 Ų52.836%0.35730%0.296SS..Hα-helixtrans-60.6-44.3177-650000111.7L180 S222 V223 G230L180-S226 VanDerWaalsContact CD1-OG 3.26Å; L180-S226 WeakPolarHBondContact CD1-OG 3.28Å; S222-S226 VanDerWaalsContact O-CB 3.27Å; S222-S226 WeakPolarHBondContact O-CB 3.24Å; S222-S226 PolarHBondContact O-N 3.02Å; S222-S226 PolarHBondContact O-OG 3.28Å; V223-S226 PolarHBondContact O-N 3.38Å; S226-G230 PolarHBondContact O-N 2.86Å
227S98.1Very high98Very high84 Ų8448.8 Ų48.859%0.58728%0.281SS*.Hα-helixtrans-67.5-45.717967.40000111.8V223 S224 L225 G230 Y231V223-S227 PolarHBondContact O-N 3.48Å; S224-S227 PolarHBondContact O-OG 2.81Å; L225-S227 VanDerWaalsContact C-N 3.35Å; L225-S227 PolarHBondContact O-N 3.25Å; S227-G230 PolarHBondContact O-N 2.78Å; S227-Y231 WeakPolarHBondContact O-CB 3.28Å; S227-Y231 PolarHBondContact O-N 2.67Å
228L98.4Very high98Very high69 Ų6952.7 Ų52.736%0.36130%0.296SS..Hα-helixtrans-65.5-45.8179.2-176.360.8000111.9F172 L176 S224 L225 Y231 H232F172-L228 HydrophobicContact CZ-CD2 4.49Å; L176-L228 HydrophobicContact CD1-CD2 4.23Å; L176-L228 HydrophobicContact CD1-CG 3.95Å; L176-L228 HydrophobicContact CD2-CD2 3.7Å; L176-L228 HydrophobicContact CD2-CG 4.25Å; S224-L228 PolarHBondContact O-N 2.8Å; L225-L228 PolarHBondContact O-N 3.29Å; L228-Y231 PolarHBondContact O-N 3.34Å; L228-H232 PolarHBondContact O-CD2 2.91Å; L228-H232 VanDerWaalsContact O-CD2 3.29Å; L228-H232 PolarHBondContact O-N 3.49Å
229F98.8Very high98Very high56 Ų5652.7 Ų52.725%0.24630%0.295CS..Hα-helixtrans-63.3-44.5177-178.2-115.3000111.4L176 A177 L180 L225 Y231 H232 C233L176-F229 HydrophobicContact CB-CB 4.28Å; L176-F229 HydrophobicContact CB-CD2 3.81Å; L176-F229 HydrophobicContact CB-CG 4.46Å; A177-F229 HydrophobicContact CB-CD2 4.35Å; A177-F229 HydrophobicContact CB-CE2 3.68Å; A177-F229 HydrophobicContact CB-CZ 3.84Å; L180-F229 HydrophobicContact CD2-CD1 4.17Å; L225-F229 WeakPolarHBondContact O-CB 3.14Å; L225-F229 PolarHBondContact O-N 3.49Å; F229-Y231 PolarHBondContact O-N 2.95Å; F229-H232 PolarHBondContact O-N 3.24Å; F229-C233 VanDerWaalsContact CZ-SG 3.51Å; F229-C233 WeakPolarHBondContact O-CB 3.39Å; F229-C233 PolarHBondContact O-N 3.47Å; F229-C233 PolarHBondContact O-SG 2.82Å; F229-C233 VanDerWaalsContact O-SG 3.33Å
230G98.8Very high98.1Very high39 Ų3952.1 Ų52.140%0.40229%0.286SS..Hα-helixtrans-58.7-44.4175.500000112.7S226 S227 H232 C233 W234S226-G230 PolarHBondContact O-N 2.86Å; S227-G230 PolarHBondContact O-N 2.78Å; G230-H232 PolarHBondContact O-N 3.08Å; G230-C233 WeakPolarHBondContact O-CB 3.27Å; G230-C233 PolarHBondContact O-N 3.35Å; G230-W234 PolarHBondContact O-N 3.34Å
231Y98.8Very high98.2Very high78 Ų7846.3 Ų46.331%0.30626%0.257SS..Hα-helixtrans-60.1-46175.3177-113.3000112.1S227 L228 F229 W234 L235 T242S227-Y231 WeakPolarHBondContact O-CB 3.28Å; S227-Y231 PolarHBondContact O-N 2.67Å; L228-Y231 PolarHBondContact O-N 3.34Å; F229-Y231 PolarHBondContact O-N 2.95Å; Y231-W234 HydrophobicContact CD2-CE3 4.13Å; Y231-W234 AromaticContact CE2-CE3 3.89Å; Y231-W234 HydrophobicContact CE2-CE3 3.89Å; Y231-W234 AromaticContact CE2-CZ3 3.84Å; Y231-W234 HydrophobicContact CE2-CZ3 3.84Å; Y231-W234 WeakPolarHBondContact O-CB 3.35Å; Y231-W234 PolarHBondContact O-N 2.75Å; Y231-L235 HydrophobicContact CD1-CD1 3.95Å; Y231-L235 HydrophobicContact CD1-CG 4.43Å; Y231-L235 HydrophobicContact CE1-CD1 3.44Å; Y231-L235 VanDerWaalsContact CE1-CD1 3.44Å; Y231-L235 HydrophobicContact CE1-CG 4.04Å; Y231-L235 HydrophobicContact CE2-CD2 4.43Å; Y231-L235 HydrophobicContact CE2-CG 4.35Å; Y231-L235 PolarHBondContact O-N 3.46Å; Y231-T242 HydrophobicContact CE1-CG2 4.34Å
232H98.8Very high98.2Very high3 Ų344.1 Ų44.11%0.01425%0.249CC..Hα-helixtrans-69.6-33.1178.4-83.9-76.5000113.4D154 Y169 F172 L173 L228 F229 G230 W234 L235 V236D154-H232 IonicContact OD1-CE1 2.99Å; D154-H232 PolarHBondContact OD1-CE1 2.73Å; Y169-H232 AromaticContact CE2-ND1 3.67Å; Y169-H232 AromaticContact CZ-ND1 3.8Å; Y169-H232 PolarHBondContact OH-ND1 3.13Å; F172-H232 AromaticContact CE1-CD2 3.82Å; F172-H232 AromaticContact CE1-CE1 3.8Å; F172-H232 AromaticContact CE1-NE2 3.59Å; L173-H232 HydrophobicContact CD2-CB 3.62Å; L228-H232 PolarHBondContact O-CD2 2.91Å; L228-H232 VanDerWaalsContact O-CD2 3.29Å; L228-H232 PolarHBondContact O-N 3.49Å; F229-H232 PolarHBondContact O-N 3.24Å; G230-H232 PolarHBondContact O-N 3.08Å; H232-W234 VanDerWaalsContact C-N 3.31Å; H232-W234 PolarHBondContact O-N 3.43Å; H232-L235 PolarHBondContact O-N 2.92Å; H232-V236 VanDerWaalsContact O-CG2 3.25Å; H232-V236 WeakPolarHBondContact O-CG2 3.36Å; H232-V236 PolarHBondContact O-N 3.21Å
233C98.7Very high98.2Very high54 Ų5446.6 Ų46.637%0.36526%0.262SS..Hα-helixtrans-58.9-43.7169.4-76.70000111.1F229 G230 V236 S237F229-C233 VanDerWaalsContact CZ-SG 3.51Å; F229-C233 WeakPolarHBondContact O-CB 3.39Å; F229-C233 PolarHBondContact O-N 3.47Å; F229-C233 PolarHBondContact O-SG 2.82Å; F229-C233 VanDerWaalsContact O-SG 3.33Å; G230-C233 WeakPolarHBondContact O-CB 3.27Å; G230-C233 PolarHBondContact O-N 3.35Å; C233-V236 PolarHBondContact O-N 3.28Å; C233-S237 WeakPolarHBondContact O-CB 3.47Å; C233-S237 PolarHBondContact O-N 2.8Å
234W98.6Very high98.2Very high114 Ų11441.9 Ų41.943%0.43223%0.233SC..Hα-helixtrans-62.2-45173.1172.884.5000112.3G230 Y231 H232 V236 S237 K238 A245G230-W234 PolarHBondContact O-N 3.34Å; Y231-W234 HydrophobicContact CD2-CE3 4.13Å; Y231-W234 AromaticContact CE2-CE3 3.89Å; Y231-W234 HydrophobicContact CE2-CE3 3.89Å; Y231-W234 AromaticContact CE2-CZ3 3.84Å; Y231-W234 HydrophobicContact CE2-CZ3 3.84Å; Y231-W234 WeakPolarHBondContact O-CB 3.35Å; Y231-W234 PolarHBondContact O-N 2.75Å; H232-W234 VanDerWaalsContact C-N 3.31Å; H232-W234 PolarHBondContact O-N 3.43Å; W234-V236 PolarHBondContact O-N 2.77Å; W234-S237 WeakPolarHBondContact O-CB 3.34Å; W234-S237 PolarHBondContact O-N 2.81Å; W234-S237 PolarHBondContact O-OG 3.38Å; W234-K238 PolarHBondContact O-N 2.87Å; W234-K238 VanDerWaalsContact O-N 3.17Å; W234-A245 HydrophobicContact CH2-CB 4.47Å; W234-A245 HydrophobicContact CZ3-CB 4.16Å
235L98.6Very high98.2Very high0 Ų040.2 Ų40.20%022%0.223CC..Hα-helixtrans-57.9-47.6176.6-74.4178.7000112.5Y231 H232 S237 K238 N239 K240 T242 A245Y231-L235 HydrophobicContact CD1-CD1 3.95Å; Y231-L235 HydrophobicContact CD1-CG 4.43Å; Y231-L235 HydrophobicContact CE1-CD1 3.44Å; Y231-L235 VanDerWaalsContact CE1-CD1 3.44Å; Y231-L235 HydrophobicContact CE1-CG 4.04Å; Y231-L235 HydrophobicContact CE2-CD2 4.43Å; Y231-L235 HydrophobicContact CE2-CG 4.35Å; Y231-L235 PolarHBondContact O-N 3.46Å; H232-L235 PolarHBondContact O-N 2.92Å; L235-S237 VanDerWaalsContact C-N 3.32Å; L235-S237 PolarHBondContact O-N 2.87Å; L235-K238 CarbonylContact O-C 3.55Å; L235-K238 PolarHBondContact O-N 2.7Å; L235-N239 PolarHBondContact O-N 3.43Å; L235-K240 HydrophobicContact CD2-CB 3.83Å; L235-K240 PolarHBondContact O-N 2.93Å; L235-T242 WeakPolarHBondContact CD1-OG1 3.27Å; L235-A245 HydrophobicContact CD2-CB 3.66Å
236V98.4Very high98.1Very high6 Ų647 Ų474%0.03625%0.252CS..Hα-helixtrans-60.5-44.7176.6178.20000110Y169 L173 H232 C233 W234 K238 N239 N267 M268 V271 F272Y169-V236 HydrophobicContact CE1-CG2 3.72Å; L173-V236 HydrophobicContact CD1-CG2 3.54Å; L173-V236 HydrophobicContact CD2-CG2 4.15Å; L173-V236 HydrophobicContact CG-CG2 4.49Å; H232-V236 VanDerWaalsContact O-CG2 3.25Å; H232-V236 WeakPolarHBondContact O-CG2 3.36Å; H232-V236 PolarHBondContact O-N 3.21Å; C233-V236 PolarHBondContact O-N 3.28Å; W234-V236 PolarHBondContact O-N 2.77Å; V236-K238 PolarHBondContact O-N 2.98Å; V236-K238 VanDerWaalsContact O-N 3.1Å; V236-N239 PolarHBondContact O-N 3.13Å; V236-N267 WeakPolarHBondContact O-CB 3.28Å; V236-M268 HydrophobicContact CB-SD 4.33Å; V236-M268 HydrophobicContact CG1-CE 4.48Å; V236-M268 HydrophobicContact CG1-SD 3.4Å; V236-M268 WeakPolarHBondContact CG1-SD 3.17Å; V236-V271 HydrophobicContact CG1-CB 4.48Å; V236-V271 HydrophobicContact CG1-CG2 4.1Å; V236-F272 HydrophobicContact CG1-CE2 4.49Å
237S97.9Very high97.9Very high21 Ų2154 Ų5415%0.14727%0.271CS..Hα-helixtrans-56.6-29.9179.584.80000113.1C233 W234 L235 N267C233-S237 WeakPolarHBondContact O-CB 3.47Å; C233-S237 PolarHBondContact O-N 2.8Å; W234-S237 WeakPolarHBondContact O-CB 3.34Å; W234-S237 PolarHBondContact O-N 2.81Å; W234-S237 PolarHBondContact O-OG 3.38Å; L235-S237 VanDerWaalsContact C-N 3.32Å; L235-S237 PolarHBondContact O-N 2.87Å; S237-N267 PolarHBondContact O-ND2 2.84Å
238K97.3Very high97.7Very high93 Ų9351 Ų5140%0.40425%0.249SC..THydrogen-bonded Turntrans-103.53.3179.6-59.4-59.9-177.4179.10114W234 L235 V236 K240W234-K238 PolarHBondContact O-N 2.87Å; W234-K238 VanDerWaalsContact O-N 3.17Å; L235-K238 CarbonylContact O-C 3.55Å; L235-K238 PolarHBondContact O-N 2.7Å; V236-K238 PolarHBondContact O-N 2.98Å; V236-K238 VanDerWaalsContact O-N 3.1Å; K238-K240 VanDerWaalsContact C-N 3.32Å; K238-K240 HydrophobicContact CB-CD 3.94Å; K238-K240 HydrophobicContact CB-CG 4.08Å; K238-K240 PolarHBondContact O-N 3.2Å
239N97.9Very high97.5Very high5 Ų548.7 Ų48.73%0.02724%0.239CC..THydrogen-bonded Turntrans50.446.3-172.6-161.8-1.8000113.7R139 L235 V236 F260 N267R139-N239 PolarHBondContact NH1-OD1 3.15Å; R139-N239 PolarHBondContact NH2-O 2.93Å; L235-N239 PolarHBondContact O-N 3.43Å; V236-N239 PolarHBondContact O-N 3.13Å; N239-F260 PolarHBondContact ND2-O 2.79Å; N239-N267 HydrophobicContact CB-CB 4.04Å; N239-N267 WeakPolarHBondContact CB-OD1 3.19Å
240K97.9Very high97.4Very high23 Ų2347 Ų4710%0.123%0.233CC..  trans-110.1145.7178.4-65.9176.5-171-167.20110.3L235 K238 E244 K257 N258L235-K240 HydrophobicContact CD2-CB 3.83Å; L235-K240 PolarHBondContact O-N 2.93Å; K238-K240 VanDerWaalsContact C-N 3.32Å; K238-K240 HydrophobicContact CB-CD 3.94Å; K238-K240 HydrophobicContact CB-CG 4.08Å; K238-K240 PolarHBondContact O-N 3.2Å; K240-E244 WeakPolarHBondContact CA-OE2 3.49Å; K240-E244 HydrophobicContact CB-CB 4.49Å; K240-K257 WeakPolarHBondContact CE-O 3.47Å; K240-K257 PolarHBondContact NZ-O 2.72Å; K240-N258 PolarHBondContact NZ-OD1 2.83Å
241S98.4Very high97.2Very high2 Ų245.6 Ų45.61%0.01422%0.216CC..  trans-84163.6157.375.70000110.1M153 D154 L243 E244 A245M153-S241 PolarHBondContact O-OG 2.82Å; D154-S241 VanDerWaalsContact OD2-CA 3.24Å; D154-S241 WeakPolarHBondContact OD2-CA 3.34Å; S241-L243 PolarHBondContact O-N 2.62Å; S241-L243 PolarHBondContact OG-N 3.38Å; S241-E244 PolarHBondContact N-OE2 2.98Å; S241-E244 PolarHBondContact O-N 3.36Å; S241-E244 VanDerWaalsContact O-N 3.13Å; S241-E244 WeakPolarHBondContact OG-CG 3.24Å; S241-E244 PolarHBondContact OG-N 2.98Å; S241-A245 PolarHBondContact O-N 3.49Å
242T98.4Very high96.6Very high21 Ų2149.7 Ų49.713%0.12923%0.231CC..Hα-helixtrans-54.5-43.7172.3-590000110.8D154 Y231 L235 E244 A245 F246D154-T242 VanDerWaalsContact CG-OG1 3.32Å; D154-T242 WeakPolarHBondContact OD1-CB 3.48Å; D154-T242 PolarHBondContact OD1-OG1 3.13Å; D154-T242 PolarHBondContact OD2-N 3.19Å; D154-T242 PolarHBondContact OD2-OG1 3.17Å; Y231-T242 HydrophobicContact CE1-CG2 4.34Å; L235-T242 WeakPolarHBondContact CD1-OG1 3.27Å; T242-E244 VanDerWaalsContact C-N 3.33Å; T242-E244 PolarHBondContact O-N 3.18Å; T242-A245 WeakPolarHBondContact O-CB 3.45Å; T242-A245 PolarHBondContact O-N 3.46Å; T242-F246 HydrophobicContact CG2-CD2 4Å; T242-F246 HydrophobicContact CG2-CE2 3.69Å; T242-F246 WeakPolarHBondContact O-CD2 3.41Å; T242-F246 PolarHBondContact O-N 3.45Å
243L97.7Very high96.1Very high60 Ų6055 Ų5531%0.31426%0.255SS..Hα-helixtrans-59.5-41.9176.6-65.6177.4000112.7H141 M153 D154 S241 A245 F246 R247H141-L243 HydrophobicContact CB-CD1 3.92Å; M153-L243 HydrophobicContact CB-CD1 4.17Å; M153-L243 HydrophobicContact CG-CD1 4.11Å; M153-L243 HydrophobicContact SD-CD1 4.33Å; D154-L243 WeakPolarHBondContact O-CG 3.46Å; S241-L243 PolarHBondContact O-N 2.62Å; S241-L243 PolarHBondContact OG-N 3.38Å; L243-A245 VanDerWaalsContact C-N 3.33Å; L243-F246 PolarHBondContact O-N 3.4Å; L243-R247 PolarHBondContact O-N 2.82Å
244E97.6Very high95.8Very high10 Ų1053.7 Ų53.75%0.04725%0.251CS..Hα-helixtrans-71.4-29179.9-70.1161-176.200112.8R139 K240 S241 T242 F246 R247 S248R139-E244 WeakPolarHBondContact CB-OE1 3.41Å; R139-E244 WeakPolarHBondContact CG-OE1 3.19Å; R139-E244 IonicContact CZ-OE1 2.63Å; R139-E244 IonicContact CZ-OE2 2.87Å; R139-E244 IonicContact NE-OE1 3.76Å; R139-E244 PolarHBondContact NE-OE1 2.85Å; R139-E244 IonicContact NE-OE2 3.7Å; R139-E244 PolarHBondContact NE-OE2 3.32Å; R139-E244 IonicContact NH2-OE1 3.78Å; R139-E244 IonicContact NH2-OE2 3.65Å; R139-E244 PolarHBondContact NH2-OE2 2.63Å; K240-E244 WeakPolarHBondContact CA-OE2 3.49Å; K240-E244 HydrophobicContact CB-CB 4.49Å; S241-E244 PolarHBondContact N-OE2 2.98Å; S241-E244 PolarHBondContact O-N 3.36Å; S241-E244 VanDerWaalsContact O-N 3.13Å; S241-E244 WeakPolarHBondContact OG-CG 3.24Å; S241-E244 PolarHBondContact OG-N 2.98Å; T242-E244 VanDerWaalsContact C-N 3.33Å; T242-E244 PolarHBondContact O-N 3.18Å; E244-F246 VanDerWaalsContact C-N 3.35Å; E244-R247 WeakPolarHBondContact CA-O 3.43Å; E244-R247 CarbonylContact O-C 3.33Å; E244-S248 PolarHBondContact O-N 3.48Å
245A96.8Very high95.6Very high35 Ų3552.4 Ų52.429%0.28926%0.256SS..Hα-helixtrans-67.3-36.3173.400000112W234 L235 S241 T242 L243W234-A245 HydrophobicContact CH2-CB 4.47Å; W234-A245 HydrophobicContact CZ3-CB 4.16Å; L235-A245 HydrophobicContact CD2-CB 3.66Å; S241-A245 PolarHBondContact O-N 3.49Å; T242-A245 WeakPolarHBondContact O-CB 3.45Å; T242-A245 PolarHBondContact O-N 3.46Å; L243-A245 VanDerWaalsContact C-N 3.33Å
246F95.6Very high95.3Very high164 Ų16454 Ų5472%0.71927%0.265SS*.Hα-helixtrans-81-37.2174.2-73.7-72.4000113.3T242 L243 E244T242-F246 HydrophobicContact CG2-CD2 4Å; T242-F246 HydrophobicContact CG2-CE2 3.69Å; T242-F246 WeakPolarHBondContact O-CD2 3.41Å; T242-F246 PolarHBondContact O-N 3.45Å; L243-F246 PolarHBondContact O-N 3.4Å; E244-F246 VanDerWaalsContact C-N 3.35Å
247R94.3Very high95.1Very high198 Ų19860.1 Ų60.175%0.74729%0.291SS*.SBendtrans-135102.7-179.5-68-169.9-178.9-177.40.5109.9L243 E244L243-R247 PolarHBondContact O-N 2.82Å; E244-R247 WeakPolarHBondContact CA-O 3.43Å; E244-R247 CarbonylContact O-C 3.33Å
248S94.6Very high94.9Very high20 Ų2063 Ų6314%0.1430%0.304CS..PPolyproline II helixtrans-62.1138.8-178.4-57.10000111.3E244 K257E244-S248 PolarHBondContact O-N 3.48Å; S248-K257 VanDerWaalsContact OG-CG 3.3Å; S248-K257 WeakPolarHBondContact OG-CG 3.49Å
249P94.9Very high94.7Very high21 Ų2158.6 Ų58.614%0.13629%0.286CS..PPolyproline II helixtrans-65.4144.517925.6-31.9000111T119 F251 D256 F260T119-P249 HydrophobicContact CG2-CB 4.08Å; P249-F251 HydrophobicContact CB-CE2 4.05Å; P249-F251 HydrophobicContact CB-CZ 4.43Å; P249-F251 HydrophobicContact CG-CE2 3.76Å; P249-F251 HydrophobicContact CG-CZ 4.21Å; P249-D256 PolarHBondContact O-N 3.02Å; P249-F260 HydrophobicContact CB-CE2 4.14Å; P249-F260 HydrophobicContact CG-CD2 4.23Å; P249-F260 HydrophobicContact CG-CE2 3.92Å
250V95.6Very high94.7Very high19 Ų1958.7 Ų58.712%0.11529%0.286CS..EExtended strand (participates in β ladder)trans-99.4118176.3-179.30000107.9T119 R120 M122T119-V250 CarbonylContact C-O 3.44Å; T119-V250 WeakPolarHBondContact CA-O 3.12Å; T119-V250 WeakPolarHBondContact CB-O 3.5Å; R120-V250 PolarHBondContact N-O 2.94Å; M122-V250 HydrophobicContact CE-CG2 4.4Å; M122-V250 HydrophobicContact SD-CG2 3.4Å; M122-V250 WeakPolarHBondContact SD-CG2 3.38Å
251F94.3Very high94.6Very high11 Ų1159 Ų595%0.04829%0.291CS..EExtended strand (participates in β ladder)trans-95.7175.8171.9-64.4-92.3000110T119 P249 H253 G254 D256 F260 T295T119-F251 HydrophobicContact CG2-CD1 4.2Å; T119-F251 HydrophobicContact CG2-CE1 3.92Å; T119-F251 HydrophobicContact CG2-CZ 4.2Å; P249-F251 HydrophobicContact CB-CE2 4.05Å; P249-F251 HydrophobicContact CB-CZ 4.43Å; P249-F251 HydrophobicContact CG-CE2 3.76Å; P249-F251 HydrophobicContact CG-CZ 4.21Å; F251-H253 WeakPolarHBondContact CB-CE1 3.39Å; F251-H253 AromaticContact CG-CE1 3.74Å; F251-H253 PolarHBondContact O-N 3.47Å; F251-G254 PolarHBondContact N-O 3.2Å; F251-G254 PolarHBondContact O-N 2.92Å; F251-D256 HydrophobicContact CD2-CB 3.77Å; F251-D256 HydrophobicContact CE2-CB 3.99Å; F251-F260 HydrophobicContact CE1-CE1 4.16Å; F251-F260 HydrophobicContact CE1-CE2 4.4Å; F251-F260 AromaticContact CE1-CZ 3.96Å; F251-F260 HydrophobicContact CE1-CZ 3.96Å; F251-F260 HydrophobicContact CZ-CD1 4.5Å; F251-F260 HydrophobicContact CZ-CD2 4.11Å; F251-F260 HydrophobicContact CZ-CE1 4.17Å; F251-F260 AromaticContact CZ-CE2 3.74Å; F251-F260 HydrophobicContact CZ-CE2 3.74Å; F251-F260 HydrophobicContact CZ-CG 4.47Å; F251-F260 AromaticContact CZ-CZ 3.77Å; F251-F260 HydrophobicContact CZ-CZ 3.77Å; F251-T295 HydrophobicContact CE1-CG2 4.01Å
252R87.4Confident94.4Very high164 Ų16461.1 Ų61.162%0.61930%0.302SS*.THydrogen-bonded Turntrans-57-36.1175.6-69.8-174.9176.1-171.1-3.8113.2G254 D301R252-G254 PolarHBondContact O-N 3.21Å; R252-D301 IonicContact NH1-OD2 2.87Å
253H88.1Confident94.3Very high113 Ų11361.9 Ų61.952%0.52331%0.314SS..THydrogen-bonded Turntrans-84.67.317860.4-94.1000113.5F251 L297F251-H253 WeakPolarHBondContact CB-CE1 3.39Å; F251-H253 AromaticContact CG-CE1 3.74Å; F251-H253 PolarHBondContact O-N 3.47Å; H253-L297 WeakPolarHBondContact CE1-CD1 3.16Å; H253-L297 WeakPolarHBondContact NE2-CD1 3.16Å
254G91.6Very high94.2Very high28 Ų2865.4 Ų65.429%0.28933%0.327SS..EExtended strand (participates in β ladder)trans110.8-167.1-18000000114F251 R252 D256F251-G254 PolarHBondContact N-O 3.2Å; F251-G254 PolarHBondContact O-N 2.92Å; R252-G254 PolarHBondContact O-N 3.21Å; G254-D256 PolarHBondContact O-N 2.8Å
255T93.8Very high94.1Very high87 Ų8768.2 Ų68.253%0.53435%0.348SS..EExtended strand (participates in β ladder)trans-76.6118.8-177.3-58.50000110.2
256D93.6Very high94.2Very high34 Ų3473 Ų7318%0.18236%0.362CS..  trans-124.2113.7175-1762.1000110.6P249 F251 G254 N258 G259P249-D256 PolarHBondContact O-N 3.02Å; F251-D256 HydrophobicContact CD2-CB 3.77Å; F251-D256 HydrophobicContact CE2-CB 3.99Å; G254-D256 PolarHBondContact O-N 2.8Å; D256-N258 PolarHBondContact O-N 3.26Å; D256-N258 PolarHBondContact OD1-N 3.3Å; D256-G259 VanDerWaalsContact CG-N 3.32Å; D256-G259 PolarHBondContact OD1-N 3Å; D256-G259 WeakPolarHBondContact OD2-CA 3.28Å; D256-G259 PolarHBondContact OD2-N 3.38Å
257K93.1Very high94.3Very high134 Ų13465.2 Ų65.258%0.58333%0.328SS*.THydrogen-bonded Turntrans-65.7-25178-48.5-158.9173.7171.60112.1K240 S248K240-K257 WeakPolarHBondContact CE-O 3.47Å; K240-K257 PolarHBondContact NZ-O 2.72Å; S248-K257 VanDerWaalsContact OG-CG 3.3Å; S248-K257 WeakPolarHBondContact OG-CG 3.49Å
258N94.4Very high94.5Very high80 Ų8057.8 Ų57.843%0.42830%0.302SS..THydrogen-bonded Turntrans-114.813.8-172.6-58-39.9000112.4K240 D256 F260 S261K240-N258 PolarHBondContact NZ-OD1 2.83Å; D256-N258 PolarHBondContact O-N 3.26Å; D256-N258 PolarHBondContact OD1-N 3.3Å; N258-F260 PolarHBondContact O-N 2.9Å; N258-S261 VanDerWaalsContact O-CB 3.31Å; N258-S261 WeakPolarHBondContact O-CB 3.18Å; N258-S261 PolarHBondContact O-N 3.07Å
259G93.8Very high94.6Very high2 Ų261.8 Ų61.82%0.02131%0.314CS..THydrogen-bonded Turntrans-59.8-22-172.400000115.5D256 T295 C296D256-G259 VanDerWaalsContact CG-N 3.32Å; D256-G259 PolarHBondContact OD1-N 3Å; D256-G259 WeakPolarHBondContact OD2-CA 3.28Å; D256-G259 PolarHBondContact OD2-N 3.38Å; G259-T295 CarbonylContact O-C 3.56Å; G259-T295 WeakPolarHBondContact O-CA 3.37Å; G259-T295 VanDerWaalsContact O-CB 3.28Å; G259-T295 WeakPolarHBondContact O-CB 3.44Å; G259-C296 PolarHBondContact O-N 3.5Å
260F96.4Very high94.8Very high6 Ų662.2 Ų62.23%0.02631%0.314CS..THydrogen-bonded Turntrans-101.2-0.4174-61.9-65.7000114.1T119 D138 R139 N239 P249 F251 N258 F293 T295T119-F260 HydrophobicContact CG2-CE2 4.23Å; T119-F260 HydrophobicContact CG2-CZ 3.74Å; D138-F260 HydrophobicContact CB-CE1 4.45Å; D138-F260 HydrophobicContact CB-CZ 4.12Å; R139-F260 HydrophobicContact CG-CD2 4.14Å; R139-F260 HydrophobicContact CG-CE1 4.22Å; R139-F260 HydrophobicContact CG-CE2 3.6Å; R139-F260 HydrophobicContact CG-CZ 3.66Å; N239-F260 PolarHBondContact ND2-O 2.79Å; P249-F260 HydrophobicContact CB-CE2 4.14Å; P249-F260 HydrophobicContact CG-CD2 4.23Å; P249-F260 HydrophobicContact CG-CE2 3.92Å; F251-F260 HydrophobicContact CE1-CE1 4.16Å; F251-F260 HydrophobicContact CE1-CE2 4.4Å; F251-F260 AromaticContact CE1-CZ 3.96Å; F251-F260 HydrophobicContact CE1-CZ 3.96Å; F251-F260 HydrophobicContact CZ-CD1 4.5Å; F251-F260 HydrophobicContact CZ-CD2 4.11Å; F251-F260 HydrophobicContact CZ-CE1 4.17Å; F251-F260 AromaticContact CZ-CE2 3.74Å; F251-F260 HydrophobicContact CZ-CE2 3.74Å; F251-F260 HydrophobicContact CZ-CG 4.47Å; F251-F260 AromaticContact CZ-CZ 3.77Å; F251-F260 HydrophobicContact CZ-CZ 3.77Å; N258-F260 PolarHBondContact O-N 2.9Å; F260-F293 HydrophobicContact CD1-CB 3.89Å; F260-F293 HydrophobicContact CE1-CB 4.01Å; F260-T295 HydrophobicContact CD1-CG2 3.95Å; F260-T295 HydrophobicContact CE1-CG2 3.82Å
261S96.3Very high94.9Very high29 Ų2961.5 Ų61.520%0.20331%0.31CS..  trans-79128.8-179.2178.80000110.7N258 N267N258-S261 VanDerWaalsContact O-CB 3.31Å; N258-S261 WeakPolarHBondContact O-CB 3.18Å; N258-S261 PolarHBondContact O-N 3.07Å; S261-N267 PolarHBondContact OG-ND2 3.34Å
262L95.3Very high95.1Very high47 Ų4762.2 Ų62.225%0.24631%0.313CS..  trans-111.89.4179.8-50.1176.4000112.4K266 N267 Q270 P294L262-K266 HydrophobicContact CB-CB 3.62Å; L262-K266 HydrophobicContact CB-CD 4.04Å; L262-K266 HydrophobicContact CB-CG 4.47Å; L262-K266 HydrophobicContact CD1-CB 4.3Å; L262-K266 WeakPolarHBondContact O-CD 3.41Å; L262-N267 PolarHBondContact N-OD1 3.24Å; L262-Q270 HydrophobicContact CD1-CG 4.2Å; L262-P294 HydrophobicContact CD1-CB 4.1Å; L262-P294 HydrophobicContact CD1-CG 3.57Å; L262-P294 HydrophobicContact CD2-CB 4.08Å; L262-P294 HydrophobicContact CD2-CG 4.31Å; L262-P294 HydrophobicContact CG-CG 4.43Å
263G95.3Very high95.6Very high37 Ų3754.5 Ų54.538%0.38128%0.284SS..  trans92.1153.8-168.400000112.6S265 K266 N267G263-S265 PolarHBondContact O-N 3.33Å; G263-K266 PolarHBondContact O-N 2.94Å; G263-N267 WeakPolarHBondContact O-CB 3.47Å; G263-N267 PolarHBondContact O-N 3.07Å; G263-N267 PolarHBondContact O-ND2 3.16Å; G263-N267 PolarHBondContact O-OD1 3.39Å
264F95.7Very high96Very high135 Ų13552.8 Ų52.859%0.59228%0.279SS*.Hα-helixtrans-49.3-53.9-167.9179.8-97.2000113.8K266 N267 M268F264-K266 PolarHBondContact O-N 3.38Å; F264-N267 WeakPolarHBondContact O-CB 3.39Å; F264-N267 PolarHBondContact O-N 3.38Å; F264-M268 HydrophobicContact CD1-CG 4.44Å; F264-M268 HydrophobicContact CE1-CG 4.09Å; F264-M268 HydrophobicContact CE2-CG 4.43Å; F264-M268 HydrophobicContact CE2-SD 4.49Å; F264-M268 HydrophobicContact CZ-CG 4.08Å; F264-M268 HydrophobicContact CZ-SD 4.32Å; F264-M268 WeakPolarHBondContact O-CG 3.35Å; F264-M268 PolarHBondContact O-N 3.23Å
265S96.4Very high96.3Very high69 Ų6954.9 Ų54.948%0.48328%0.281SS..Hα-helixtrans-62-44.8-177.1-179.30000112.6G263 M268 R269G263-S265 PolarHBondContact O-N 3.33Å; S265-M268 PolarHBondContact O-N 2.54Å; S265-R269 WeakPolarHBondContact O-CG 3.48Å; S265-R269 PolarHBondContact O-N 3.02Å; S265-R269 VanDerWaalsContact O-N 3.09Å
266K97.3Very high96.4Very high135 Ų13558 Ų5859%0.58729%0.288SS*.Hα-helixtrans-67.4-38.7178.1-68.4-174.6-177.7176.40111.1L262 G263 F264 M268 R269 Q270L262-K266 HydrophobicContact CB-CB 3.62Å; L262-K266 HydrophobicContact CB-CD 4.04Å; L262-K266 HydrophobicContact CB-CG 4.47Å; L262-K266 HydrophobicContact CD1-CB 4.3Å; L262-K266 WeakPolarHBondContact O-CD 3.41Å; G263-K266 PolarHBondContact O-N 2.94Å; F264-K266 PolarHBondContact O-N 3.38Å; K266-M268 PolarHBondContact O-N 3.22Å; K266-R269 PolarHBondContact O-N 2.97Å; K266-Q270 WeakPolarHBondContact O-CG 3Å; K266-Q270 PolarHBondContact O-N 3.21Å
267N97.9Very high96.6Very high0 Ų062.8 Ų62.80%031%0.307CS..Hα-helixtrans-61.5-42.2176.1-66-13.6000112.1V236 S237 N239 S261 L262 G263 F264 Q270V236-N267 WeakPolarHBondContact O-CB 3.28Å; S237-N267 PolarHBondContact O-ND2 2.84Å; N239-N267 HydrophobicContact CB-CB 4.04Å; N239-N267 WeakPolarHBondContact CB-OD1 3.19Å; S261-N267 PolarHBondContact OG-ND2 3.34Å; L262-N267 PolarHBondContact N-OD1 3.24Å; G263-N267 WeakPolarHBondContact O-CB 3.47Å; G263-N267 PolarHBondContact O-N 3.07Å; G263-N267 PolarHBondContact O-ND2 3.16Å; G263-N267 PolarHBondContact O-OD1 3.39Å; F264-N267 WeakPolarHBondContact O-CB 3.39Å; F264-N267 PolarHBondContact O-N 3.38Å; N267-Q270 WeakPolarHBondContact O-CB 3.16Å; N267-Q270 PolarHBondContact O-N 3.41Å
268M98.1Very high96.8Very high42 Ų4259.9 Ų59.921%0.20729%0.293CS..Hα-helixtrans-61.9-46.5174-66.9-63.7-68.800111.3V236 F264 S265 K266 Q270 V271 F272V236-M268 HydrophobicContact CB-SD 4.33Å; V236-M268 HydrophobicContact CG1-CE 4.48Å; V236-M268 HydrophobicContact CG1-SD 3.4Å; V236-M268 WeakPolarHBondContact CG1-SD 3.17Å; F264-M268 HydrophobicContact CD1-CG 4.44Å; F264-M268 HydrophobicContact CE1-CG 4.09Å; F264-M268 HydrophobicContact CE2-CG 4.43Å; F264-M268 HydrophobicContact CE2-SD 4.49Å; F264-M268 HydrophobicContact CZ-CG 4.08Å; F264-M268 HydrophobicContact CZ-SD 4.32Å; F264-M268 WeakPolarHBondContact O-CG 3.35Å; F264-M268 PolarHBondContact O-N 3.23Å; S265-M268 PolarHBondContact O-N 2.54Å; K266-M268 PolarHBondContact O-N 3.22Å; M268-Q270 VanDerWaalsContact C-N 3.28Å; M268-Q270 PolarHBondContact O-N 3Å; M268-V271 PolarHBondContact O-N 2.77Å; M268-F272 HydrophobicContact CE-CD2 3.96Å; M268-F272 HydrophobicContact CE-CE2 3.7Å; M268-F272 WeakPolarHBondContact O-CD2 3.47Å; M268-F272 PolarHBondContact O-N 3.28Å
269R98.1Very high96.9Very high105 Ų10559.3 Ų59.340%0.39629%0.285SS..Hα-helixtrans-61.8-32.7178.3-71.2170.9177.8-140.610.6113.1S265 K266 V271 G273 D274 W279 L287S265-R269 WeakPolarHBondContact O-CG 3.48Å; S265-R269 PolarHBondContact O-N 3.02Å; S265-R269 VanDerWaalsContact O-N 3.09Å; K266-R269 PolarHBondContact O-N 2.97Å; R269-V271 PolarHBondContact O-N 3.03Å; R269-G273 WeakPolarHBondContact O-CA 3.28Å; R269-G273 PolarHBondContact O-N 3.06Å; R269-D274 WeakPolarHBondContact CD-OD1 3.18Å; R269-D274 IonicContact CZ-OD1 3.57Å; R269-D274 IonicContact NE-OD1 3.4Å; R269-D274 IonicContact NH1-OD1 2.73Å; R269-D274 PolarHBondContact NH1-OD1 3.13Å; R269-W279 HydrophobicContact CG-CZ2 4.5Å; R269-L287 HydrophobicContact CB-CD1 4.3Å; R269-L287 WeakPolarHBondContact O-CD1 3.46Å; R269-L287 WeakPolarHBondContact O-CG 3.47Å
270Q98.3Very high97.2Very high30 Ų3064.8 Ų64.814%0.1431%0.313CS..Hα-helixtrans-57.1-31.8174-70.8-69.6-52.400112.4L262 K266 N267 M268 L287L262-Q270 HydrophobicContact CD1-CG 4.2Å; K266-Q270 WeakPolarHBondContact O-CG 3Å; K266-Q270 PolarHBondContact O-N 3.21Å; N267-Q270 WeakPolarHBondContact O-CB 3.16Å; N267-Q270 PolarHBondContact O-N 3.41Å; M268-Q270 VanDerWaalsContact C-N 3.28Å; M268-Q270 PolarHBondContact O-N 3Å; Q270-L287 PolarHBondContact O-N 2.82Å
271V98.3Very high97.2Very high4 Ų467.2 Ų67.22%0.02433%0.326CS..Hα-helixtrans-94.9-45.5179.6-178.10000112.3Y169 K170 L173 V236 M268 R269 S286Y169-V271 HydrophobicContact CD1-CG1 4.04Å; Y169-V271 HydrophobicContact CD1-CG2 4.1Å; Y169-V271 HydrophobicContact CE1-CG2 4.33Å; K170-V271 HydrophobicContact CB-CG1 4.04Å; L173-V271 HydrophobicContact CD1-CG1 3.76Å; V236-V271 HydrophobicContact CG1-CB 4.48Å; V236-V271 HydrophobicContact CG1-CG2 4.1Å; M268-V271 PolarHBondContact O-N 2.77Å; R269-V271 PolarHBondContact O-N 3.03Å; V271-S286 WeakPolarHBondContact O-CA 3.48Å; V271-S286 WeakPolarHBondContact O-CB 3.28Å; V271-S286 PolarHBondContact O-OG 3.29Å
272F98.3Very high97.3Very high25 Ų2565.9 Ų65.911%0.1132%0.316CS..Hα-helixtrans-96-13.2-172-67.4-84.1000114.5K170 L173 L174 V236 M268 W279 S285K170-F272 HydrophobicContact CD-CD1 4.37Å; K170-F272 HydrophobicContact CG-CD1 4.06Å; K170-F272 HydrophobicContact CG-CE1 4.18Å; L173-F272 HydrophobicContact CB-CZ 4.44Å; L173-F272 HydrophobicContact CD1-CE2 4.12Å; L173-F272 HydrophobicContact CD1-CZ 3.87Å; L174-F272 HydrophobicContact CD2-CE1 4.43Å; V236-F272 HydrophobicContact CG1-CE2 4.49Å; M268-F272 HydrophobicContact CE-CD2 3.96Å; M268-F272 HydrophobicContact CE-CE2 3.7Å; M268-F272 WeakPolarHBondContact O-CD2 3.47Å; M268-F272 PolarHBondContact O-N 3.28Å; F272-W279 HydrophobicContact CB-CD2 3.93Å; F272-W279 HydrophobicContact CB-CG 3.84Å; F272-W279 HydrophobicContact CB-CZ2 4.5Å; F272-W279 HydrophobicContact CD1-CB 4.33Å; F272-W279 HydrophobicContact CD1-CG 4.48Å; F272-W279 HydrophobicContact CG-CG 4.45Å; F272-W279 VanDerWaalsContact O-CD1 3.28Å; F272-W279 PolarHBondContact O-NE1 2.95Å; F272-S285 CarbonylContact C-O 3.6Å; F272-S285 PolarHBondContact O-OG 3.01Å
273G97.9Very high97.5Very high2 Ų266.9 Ų66.92%0.02132%0.321CS..  trans81.9175.6-176.700000113.7R269 W279 S285R269-G273 WeakPolarHBondContact O-CA 3.28Å; R269-G273 PolarHBondContact O-N 3.06Å; G273-W279 PolarHBondContact O-NE1 3.46Å; G273-S285 WeakPolarHBondContact CA-O 3.45Å; G273-S285 PolarHBondContact N-O 3.42Å; G273-S285 VanDerWaalsContact N-O 3.15Å
274D97.4Very high97.6Very high77 Ų7767.4 Ų67.441%0.41231%0.313SS..SBendtrans-80.3-30.2178.5-65.3-61.6000112.9R269 K276R269-D274 WeakPolarHBondContact CD-OD1 3.18Å; R269-D274 IonicContact CZ-OD1 3.57Å; R269-D274 IonicContact NE-OD1 3.4Å; R269-D274 IonicContact NH1-OD1 2.73Å; R269-D274 PolarHBondContact NH1-OD1 3.13Å; D274-K276 PolarHBondContact O-N 3.32Å; D274-K276 VanDerWaalsContact O-N 3.09Å
275E97.3Very high97.7Very high72 Ų7262 Ų6234%0.33629%0.292SS..  trans-78.792.7-178.6-66.4-171.7-112.200111.1K277 Y278 K326E275-K277 HydrophobicContact CB-CG 4.48Å; E275-K277 PolarHBondContact O-N 2.85Å; E275-K277 VanDerWaalsContact O-N 3.07Å; E275-K277 WeakPolarHBondContact OE2-CE 3.31Å; E275-K277 IonicContact OE2-NZ 2.9Å; E275-K277 PolarHBondContact OE2-NZ 3.35Å; E275-Y278 HydrophobicContact CB-CD2 3.7Å; E275-Y278 HydrophobicContact CB-CE2 4.1Å; E275-Y278 PolarHBondContact O-N 3.32Å; E275-Y278 WeakPolarHBondContact OE2-CE2 2.91Å; E275-K326 IonicContact OE1-NZ 2.72Å; E275-K326 PolarHBondContact OE1-NZ 3.17Å
276K95.6Very high97.8Very high154 Ų15459.3 Ų59.367%0.6727%0.273SS*.G310 helixtrans-51.5-32.4-177.8-69.4-174179.9-179.90115.1D274 Y278 W279D274-K276 PolarHBondContact O-N 3.32Å; D274-K276 VanDerWaalsContact O-N 3.09Å; K276-Y278 PolarHBondContact O-N 2.94Å; K276-Y278 VanDerWaalsContact O-N 3.11Å; K276-W279 VanDerWaalsContact CA-CD1 3.48Å; K276-W279 HydrophobicContact CG-CD2 4.4Å; K276-W279 HydrophobicContact CG-CZ2 4.21Å; K276-W279 VanDerWaalsContact O-CB 3.31Å; K276-W279 WeakPolarHBondContact O-CB 3.25Å; K276-W279 PolarHBondContact O-N 3.29Å
277K96.7Very high97.8Very high134 Ų13454.6 Ų54.658%0.58325%0.254SS*.G310 helixtrans-57-26.1177.864.9-177.4173.7-177.10113.5E275E275-K277 HydrophobicContact CB-CG 4.48Å; E275-K277 PolarHBondContact O-N 2.85Å; E275-K277 VanDerWaalsContact O-N 3.07Å; E275-K277 WeakPolarHBondContact OE2-CE 3.31Å; E275-K277 IonicContact OE2-NZ 2.9Å; E275-K277 PolarHBondContact OE2-NZ 3.35Å
278Y97.7Very high97.7Very high72 Ų7257.1 Ų57.128%0.28228%0.28SS..G310 helixtrans-91.9-6.9178.4-61.9-55.6000113.4K170 E275 K276 L280 L281 I283K170-Y278 WeakPolarHBondContact CE-O 3.17Å; K170-Y278 PolarHBondContact NZ-O 3.27Å; E275-Y278 HydrophobicContact CB-CD2 3.7Å; E275-Y278 HydrophobicContact CB-CE2 4.1Å; E275-Y278 PolarHBondContact O-N 3.32Å; E275-Y278 WeakPolarHBondContact OE2-CE2 2.91Å; K276-Y278 PolarHBondContact O-N 2.94Å; K276-Y278 VanDerWaalsContact O-N 3.11Å; Y278-L280 VanDerWaalsContact C-N 3.3Å; Y278-L280 PolarHBondContact O-N 2.8Å; Y278-L281 HydrophobicContact CD1-CD1 4.31Å; Y278-L281 PolarHBondContact O-N 3.49Å; Y278-L281 VanDerWaalsContact O-O 3.09Å; Y278-I283 HydrophobicContact CD1-CD1 4.11Å; Y278-I283 HydrophobicContact CE1-CD1 4.32Å
279W98.1Very high97.6Very high68 Ų6858.3 Ų58.326%0.25829%0.288SS..THydrogen-bonded Turntrans-59.3-42.4-170.9-77.819.5000112.7L174 R269 F272 G273 K276L174-W279 WeakPolarHBondContact CD2-O 3.46Å; R269-W279 HydrophobicContact CG-CZ2 4.5Å; F272-W279 HydrophobicContact CB-CD2 3.93Å; F272-W279 HydrophobicContact CB-CG 3.84Å; F272-W279 HydrophobicContact CB-CZ2 4.5Å; F272-W279 HydrophobicContact CD1-CB 4.33Å; F272-W279 HydrophobicContact CD1-CG 4.48Å; F272-W279 HydrophobicContact CG-CG 4.45Å; F272-W279 VanDerWaalsContact O-CD1 3.28Å; F272-W279 PolarHBondContact O-NE1 2.95Å; G273-W279 PolarHBondContact O-NE1 3.46Å; K276-W279 VanDerWaalsContact CA-CD1 3.48Å; K276-W279 HydrophobicContact CG-CD2 4.4Å; K276-W279 HydrophobicContact CG-CZ2 4.21Å; K276-W279 VanDerWaalsContact O-CB 3.31Å; K276-W279 WeakPolarHBondContact O-CB 3.25Å; K276-W279 PolarHBondContact O-N 3.29Å
280L98.2Very high97.4Very high117 Ų11753.3 Ų53.361%0.61327%0.269SS*.THydrogen-bonded Turntrans-86.2-7.3179.8-60.8-176.9000113.1M65 Y178 Y278M65-L280 WeakPolarHBondContact CE-O 3.4Å; Y178-L280 WeakPolarHBondContact OH-CB 3.4Å; Y178-L280 PolarHBondContact OH-O 3.22Å; Y278-L280 VanDerWaalsContact C-N 3.3Å; Y278-L280 PolarHBondContact O-N 2.8Å
281L98.3Very high97.3Very high57 Ų5752.2 Ų52.230%0.29826%0.264SS..SBendtrans-97.1135.7-177.8-59.9-179.7000111M65 W68 K170 L174 Y278 I283M65-L281 HydrophobicContact CE-CD2 4.09Å; W68-L281 HydrophobicContact CH2-CB 4.37Å; W68-L281 HydrophobicContact CH2-CD2 4.29Å; W68-L281 HydrophobicContact CZ3-CD2 3.98Å; K170-L281 WeakPolarHBondContact CE-O 3.34Å; K170-L281 PolarHBondContact NZ-O 2.99Å; L174-L281 VanDerWaalsContact CD1-C 3.5Å; L174-L281 WeakPolarHBondContact CD1-O 3.26Å; Y278-L281 HydrophobicContact CD1-CD1 4.31Å; Y278-L281 PolarHBondContact O-N 3.49Å; Y278-L281 VanDerWaalsContact O-O 3.09Å; L281-I283 HydrophobicContact CB-CD1 4.01Å; L281-I283 HydrophobicContact CB-CG1 4.16Å; L281-I283 HydrophobicContact CD1-CD1 4.09Å; L281-I283 PolarHBondContact O-N 2.92Å
282P98.3Very high97.1Very high1 Ų154 Ų541%0.00628%0.277CS..SBendtrans-66.345.8171.2-2334.9000115.1M65 W68 K72 F171 L174M65-P282 HydrophobicContact CE-CG 4.43Å; W68-P282 HydrophobicContact CB-CG 4.42Å; W68-P282 HydrophobicContact CD2-CB 4.03Å; W68-P282 HydrophobicContact CD2-CG 3.74Å; W68-P282 HydrophobicContact CE3-CG 4Å; W68-P282 HydrophobicContact CG-CB 4.15Å; W68-P282 HydrophobicContact CG-CG 3.94Å; W68-P282 HydrophobicContact CZ2-CB 4.45Å; K72-P282 HydrophobicContact CB-CB 4.21Å; K72-P282 WeakPolarHBondContact CE-O 3.33Å; K72-P282 HydrophobicContact CG-CB 3.87Å; F171-P282 HydrophobicContact CD1-CB 4.26Å; F171-P282 VanDerWaalsContact CE1-O 3.29Å; F171-P282 WeakPolarHBondContact CE1-O 3.46Å; L174-P282 HydrophobicContact CD1-CG 4.27Å
283I98.1Very high97Very high68 Ų6853.3 Ų53.335%0.34927%0.274SS..SBendtrans-111.9137.3177.5-59.2170.9000108.1W68 K170 F171 Y278 L281 S285W68-I283 HydrophobicContact CH2-CD1 4.3Å; W68-I283 HydrophobicContact CH2-CG1 4.25Å; W68-I283 HydrophobicContact CZ2-CD1 4.44Å; W68-I283 HydrophobicContact CZ2-CG1 3.99Å; K170-I283 PolarHBondContact NZ-O 2.97Å; F171-I283 VanDerWaalsContact CE1-C 3.47Å; Y278-I283 HydrophobicContact CD1-CD1 4.11Å; Y278-I283 HydrophobicContact CE1-CD1 4.32Å; L281-I283 HydrophobicContact CB-CD1 4.01Å; L281-I283 HydrophobicContact CB-CG1 4.16Å; L281-I283 HydrophobicContact CD1-CD1 4.09Å; L281-I283 PolarHBondContact O-N 2.92Å; I283-S285 PolarHBondContact O-N 2.8Å
284F97.9Very high96.8Very high49 Ų4955.9 Ų55.922%0.21529%0.29CS..  trans-64.4125.9-178.1-176.3-95.7000109.9F166 F171 F323F166-F284 HydrophobicContact CE1-CE2 4.43Å; F166-F284 AromaticContact CE1-CZ 3.89Å; F166-F284 HydrophobicContact CE1-CZ 3.89Å; F166-F284 HydrophobicContact CZ-CZ 4.2Å; F171-F284 HydrophobicContact CZ-CB 3.96Å; F284-F323 HydrophobicContact CB-CD1 4.28Å; F284-F323 HydrophobicContact CB-CE1 4.43Å
285S98.1Very high96.4Very high20 Ų2053 Ų5314%0.1428%0.276CS..  trans-149.314.1178.264.30000112.8K170 F272 G273 I283K170-S285 PolarHBondContact NZ-OG 3.32Å; F272-S285 CarbonylContact C-O 3.6Å; F272-S285 PolarHBondContact O-OG 3.01Å; G273-S285 WeakPolarHBondContact CA-O 3.45Å; G273-S285 PolarHBondContact N-O 3.42Å; G273-S285 VanDerWaalsContact N-O 3.15Å; I283-S285 PolarHBondContact O-N 2.8Å
286S98Very high95.5Very high13 Ų1352.7 Ų52.79%0.09128%0.28CS..  trans-67.2146.9176.1-54.90000110.3V271V271-S286 WeakPolarHBondContact O-CA 3.48Å; V271-S286 WeakPolarHBondContact O-CB 3.28Å; V271-S286 PolarHBondContact O-OG 3.29Å
287L97.6Very high94.1Very high36 Ų3649.3 Ų49.319%0.18827%0.269CS..  trans-87.8154.6-178.9-59178.1000111.1F166 R269 Q270F166-L287 WeakPolarHBondContact CE2-O 3.48Å; F166-L287 WeakPolarHBondContact CZ-O 3.48Å; R269-L287 HydrophobicContact CB-CD1 4.3Å; R269-L287 WeakPolarHBondContact O-CD1 3.46Å; R269-L287 WeakPolarHBondContact O-CG 3.47Å; Q270-L287 PolarHBondContact O-N 2.82Å
288G95.4Very high92Very high53 Ų5347 Ų4755%0.54627%0.266SS..SBendtrans87.5-177.4178.900000113.9F166F166-G288 WeakPolarHBondContact CZ-O 3.4Å
289D95.1Very high89.4Confident68 Ų6851.2 Ų51.236%0.36429%0.294SS..  trans-102.7-9.4-179.560.75.9000112.8C291 S292D289-C291 PolarHBondContact O-N 3.29Å; D289-C291 PolarHBondContact OD1-N 3.18Å; D289-S292 PolarHBondContact OD1-N 3.19Å; D289-S292 PolarHBondContact OD1-OG 3.22Å; D289-S292 PolarHBondContact OD2-OG 3.4Å
290G95.3Very high86.5Confident0 Ų056 Ų560%032%0.319CS..SBendtrans79.7-7.6-174.900000114.9L151 F293L151-G290 WeakPolarHBondContact CB-O 3.31Å; L151-G290 WeakPolarHBondContact CD2-O 3.37Å; G290-F293 VanDerWaalsContact O-CE2 3.29Å; G290-F293 WeakPolarHBondContact O-CE2 3.3Å; G290-F293 VanDerWaalsContact O-CZ 3.24Å; G290-F293 WeakPolarHBondContact O-CZ 3.49Å
291C95.7Very high83.7Confident6 Ų654 Ų544%0.04131%0.309CS..SBendtrans-97.2-31.8177.6-65.80000111.7F85 P137 D289F85-C291 HydrophobicContact CE2-CB 3.69Å; F85-C291 HydrophobicContact CZ-CB 4.01Å; P137-C291 HydrophobicContact CB-CB 4.4Å; P137-C291 WeakPolarHBondContact CB-O 3.33Å; D289-C291 PolarHBondContact O-N 3.29Å; D289-C291 PolarHBondContact OD1-N 3.18Å
292S95Very high80.9Confident43 Ų4357.2 Ų57.230%0.30133%0.333SS..  trans-123.1147175.565.40000110.6D289D289-S292 PolarHBondContact OD1-N 3.19Å; D289-S292 PolarHBondContact OD1-OG 3.22Å; D289-S292 PolarHBondContact OD2-OG 3.4Å
293F95.5Very high78.3Confident10 Ų1065.8 Ų65.84%0.04437%0.373CS..  trans-136.8137.9179.1-59.9-84.9000110D138 R139 K152 F166 F260 G290 T295D138-F293 HydrophobicContact CB-CD2 4.39Å; D138-F293 WeakPolarHBondContact O-CE2 3.31Å; R139-F293 HydrophobicContact CB-CD2 4.36Å; R139-F293 HydrophobicContact CB-CE2 4.01Å; R139-F293 VanDerWaalsContact CD-CD2 3.49Å; R139-F293 HydrophobicContact CG-CD2 3.84Å; R139-F293 HydrophobicContact CG-CE2 4.01Å; R139-F293 HydrophobicContact CG-CG 4.45Å; K152-F293 HydrophobicContact CB-CE1 4.31Å; K152-F293 HydrophobicContact CB-CZ 3.78Å; K152-F293 HydrophobicContact CD-CE1 3.9Å; K152-F293 HydrophobicContact CD-CZ 4.23Å; K152-F293 HydrophobicContact CG-CE1 4.27Å; K152-F293 HydrophobicContact CG-CZ 4.12Å; F166-F293 HydrophobicContact CD2-CE1 4.18Å; F166-F293 HydrophobicContact CD2-CZ 4.4Å; F166-F293 HydrophobicContact CE2-CE1 4.34Å; F260-F293 HydrophobicContact CD1-CB 3.89Å; F260-F293 HydrophobicContact CE1-CB 4.01Å; G290-F293 VanDerWaalsContact O-CE2 3.29Å; G290-F293 WeakPolarHBondContact O-CE2 3.3Å; G290-F293 VanDerWaalsContact O-CZ 3.24Å; G290-F293 WeakPolarHBondContact O-CZ 3.49Å; F293-T295 PolarHBondContact O-N 3.16Å
294P93.9Very high75.9Confident55 Ų5567.1 Ų67.136%0.35738%0.378SS..  trans-61.3137.417228-37000110.3L262L262-P294 HydrophobicContact CD1-CB 4.1Å; L262-P294 HydrophobicContact CD1-CG 3.57Å; L262-P294 HydrophobicContact CD2-CB 4.08Å; L262-P294 HydrophobicContact CD2-CG 4.31Å; L262-P294 HydrophobicContact CG-CG 4.43Å
295T88.5Confident72.9Confident18 Ų1870.6 Ų70.611%0.1141%0.405CS..  trans-112.6160.2176.672.30000110.4Y118 F251 G259 F260 F293 L297 V298Y118-T295 HydrophobicContact CD2-CG2 4.16Å; Y118-T295 HydrophobicContact CG-CG2 4.42Å; F251-T295 HydrophobicContact CE1-CG2 4.01Å; G259-T295 CarbonylContact O-C 3.56Å; G259-T295 WeakPolarHBondContact O-CA 3.37Å; G259-T295 VanDerWaalsContact O-CB 3.28Å; G259-T295 WeakPolarHBondContact O-CB 3.44Å; F260-T295 HydrophobicContact CD1-CG2 3.95Å; F260-T295 HydrophobicContact CE1-CG2 3.82Å; F293-T295 PolarHBondContact O-N 3.16Å; T295-L297 VanDerWaalsContact C-N 3.27Å; T295-L297 PolarHBondContact O-N 3.41Å; T295-V298 WeakPolarHBondContact OG1-CG2 3.5Å
296C78.6Confident69.8Low64 Ų6475 Ų7543%0.43244%0.436SS..THydrogen-bonded Turntrans-71.1-19.2-178.458.80000113.9G259G259-C296 PolarHBondContact O-N 3.5Å
297L66.7Low66.7Low83 Ų8380.6 Ų80.644%0.43547%0.47SS..THydrogen-bonded Turntrans-113.416.7-169.4-71.4168.1000114.6H253 T295 N299H253-L297 WeakPolarHBondContact CE1-CD1 3.16Å; H253-L297 WeakPolarHBondContact NE2-CD1 3.16Å; T295-L297 VanDerWaalsContact C-N 3.27Å; T295-L297 PolarHBondContact O-N 3.41Å; L297-N299 PolarHBondContact O-N 3.07Å
298V51.8Low63.5Low86 Ų8683.5 Ų83.552%0.52149%0.491SS..THydrogen-bonded Turntrans-61.8-8.8-177.3-173.80000114.2T295T295-V298 WeakPolarHBondContact OG1-CG2 3.5Å
299N42.3Very low60.7Low160 Ų16085.8 Ų85.886%0.85651%0.505SS*.THydrogen-bonded Turntrans-92.615-177.9-73.9-7.1000115.9L297L297-N299 PolarHBondContact O-N 3.07Å
300Q38.2Very low58.1Low168 Ų16885.9 Ų85.979%0.78552%0.522SS*.  trans-14038.6-178-73.2-171.9-9.900115.6
301D38.7Very low54.9Low75 Ų7593.2 Ų93.240%0.40156%0.56SS.*  trans-115.1105.8168.9-144.3-20.5000110.6R252 E303R252-D301 IonicContact NH1-OD2 2.87Å; D301-E303 PolarHBondContact O-N 3.09Å
302P39.8Very low51.7Low126 Ų12698.5 Ų98.582%0.81860%0.597SS**THydrogen-bonded Turntrans-68.5-11.8-179-18.631.1000115
303E43.3Very low48.6Very low181 Ų181102.1 Ų102.185%0.84662%0.622SS**THydrogen-bonded Turntrans-111.310.2-170.1-68.1-168138.700114.9D301D301-E303 PolarHBondContact O-N 3.09Å
304Q48.3Very low45.7Very low95 Ų95108.5 Ų108.544%0.44466%0.662SS.*SBendtrans-103132169.4-89.5-169.1-45.200111.9S306Q304-S306 PolarHBondContact O-N 3.44Å
305P34.2Very low42.6Very low122 Ų122110.5 Ų110.579%0.79268%0.683SS**PPolyproline II helixtrans-62.6132.6168.326-30.9000109.1T307P305-T307 PolarHBondContact O-N 3.48Å
306S32.9Very low39.7Very low112 Ų112119.8 Ų119.878%0.78372%0.722SS**PPolyproline II helixtrans-53130.4172.437.70000110Q304Q304-S306 PolarHBondContact O-N 3.44Å
307T32.9Very low37.4Very low132 Ų132124.3 Ų124.381%0.8174%0.742SS**PPolyproline II helixtrans-46.5126.6170.7-39.30000109.3P305 A309P305-T307 PolarHBondContact O-N 3.48Å; T307-A309 PolarHBondContact O-N 3.1Å; T307-A309 VanDerWaalsContact O-N 3.13Å
308P31.8Very low35.4Very low97 Ų97126.3 Ų126.363%0.6376%0.763SS**PPolyproline II helixtrans-67.5118.4175.7-4.817.3000108.4G310 L311P308-G310 PolarHBondContact O-N 2.87Å; P308-L311 HydrophobicContact CB-CD1 4.44Å
309A37.2Very low34.5Very low100 Ų100130.6 Ų130.683%0.82678%0.777SS**SBendtrans-63.8113.4162.100000107.9T307T307-A309 PolarHBondContact O-N 3.1Å; T307-A309 VanDerWaalsContact O-N 3.13Å
310G39.1Very low33.8Very low70 Ų70130 Ų13072%0.72278%0.775SS**  trans78.396.9166.600000115.9P308P308-G310 PolarHBondContact O-N 2.87Å
311L28Very low33.6Very low155 Ų155131.7 Ų131.781%0.81278%0.782SS**  trans-114.7113.3146.4-10388.4000109P308 S313P308-L311 HydrophobicContact CB-CD1 4.44Å; L311-S313 PolarHBondContact O-N 3.23Å
312S29.6Very low33.3Very low117 Ų117136.7 Ų136.782%0.81880%0.803SS**  trans-61.9114.116551.40000109.8
313S29.6Very low33.1Very low118 Ų118136.1 Ų136.183%0.82579%0.788SS**  trans-94106170.650.90000110.3L311L311-S313 PolarHBondContact O-N 3.23Å
314T33.4Very low32.5Very low144 Ų144132.6 Ų132.688%0.88378%0.781SS**  trans-88.1100.4158.5-31.50000107.5
315A29.5Very low31.9Very low97 Ų97132.3 Ų132.380%0.80279%0.794SS**  trans-157.1138.7163.900000111.7
316K28.7Very low31.9Very low213 Ų213133.9 Ų133.993%0.92679%0.789SS**  trans-68151.5-164.1-74.9163.4169.2174.10115.5
317N30.2Very low31.8Very low160 Ų160134.2 Ų134.286%0.85679%0.788SS**  trans-15.8130.9163.7-83.3-6.6000118.5
318S24.8Very low31.9Very low124 Ų124135.2 Ų135.287%0.86779%0.787SS**  trans-149.1125.1131.7-170.80000109
319E32Very low31.7Very low176 Ų176142 Ų14282%0.82280%0.801SS**  trans-66.6130-175.7-64.8178.2140.600112.4
320N27.8Very low31.5Very low149 Ų149146.2 Ų146.280%0.79780%0.803SS**  trans-164.7129145.9-100.6-32000108.6Q322N320-Q322 PolarHBondContact O-N 2.82Å
321H32.7Very low31.1Very low202 Ų202148.2 Ų148.294%0.93581%0.806SS**  trans-39.7104.9-170.1-72.1-75000114.5
322Q32.4Very low31.2Very low180 Ų180150.1 Ų150.184%0.84181%0.811SS**  trans-113.5123.1-177.5-158.415813.500109.2N320N320-Q322 PolarHBondContact O-N 2.82Å
323F35.7Very low31.2Very low115 Ų115150 Ų15050%0.50481%0.81SS.*  trans-60.9136167.9-69.9-85.7000108.5F284 A325F284-F323 HydrophobicContact CB-CD1 4.28Å; F284-F323 HydrophobicContact CB-CE1 4.43Å; F323-A325 PolarHBondContact O-N 2.9Å
324P31.6Very low31.2Very low107 Ų107152.9 Ų152.970%0.69581%0.81SS**  trans-70.7109.6-176.526.5-31.6000109.9K326P324-K326 PolarHBondContact O-N 3.29Å
325A35.2Very low31.2Very low88 Ų88154.2 Ų154.273%0.72781%0.811SS**  trans-72.3104.7161.200000107.3F323 P327F323-A325 PolarHBondContact O-N 2.9Å; A325-P327 WeakPolarHBondContact O-CD 3.34Å
326K35.7Very low31.3Very low156 Ų156157.7 Ų157.768%0.67882%0.815SS**  trans-83122.1169.7-74.6-176.9-176.2176.40108.2E275 P324E275-K326 IonicContact OE1-NZ 2.72Å; E275-K326 PolarHBondContact OE1-NZ 3.17Å; P324-K326 PolarHBondContact O-N 3.29Å
327P30.2Very low31.5Very low118 Ų118153.8 Ų153.877%0.76681%0.809SS**  trans-66.8149.4169.926.2-30.4000110.3A325 R329A325-P327 WeakPolarHBondContact O-CD 3.34Å; P327-R329 PolarHBondContact O-N 3.39Å; P327-R329 VanDerWaalsContact O-N 3.13Å
328L33.8Very low31.3Very low153 Ų153153.6 Ų153.680%0.80181%0.808SS**  trans-54114.2173.6-73.6158.6000109.2E330L328-E330 PolarHBondContact O-N 3.01Å
329R27.9Very low31.4Very low241 Ų241151.9 Ų151.991%0.90980%0.796SS**  trans-79.6118.4170.4-157.1179.4-171-146.42.2107.3P327 S331P327-R329 PolarHBondContact O-N 3.39Å; P327-R329 VanDerWaalsContact O-N 3.13Å; R329-S331 PolarHBondContact O-N 2.95Å; R329-S331 VanDerWaalsContact O-N 3.12Å
330E32.9Very low31.1Very low187 Ų187152.5 Ų152.587%0.87480%0.799SS**  trans-51.6114.9174.6-74.7171.1149.400110.2L328L328-E330 PolarHBondContact O-N 3.01Å
331S30.6Very low30.9Very low112 Ų112149.8 Ų149.878%0.78379%0.792SS**  trans-89.3110.9168.566.70000108.7R329 S333R329-S331 PolarHBondContact O-N 2.95Å; R329-S331 VanDerWaalsContact O-N 3.12Å; S331-S333 PolarHBondContact O-N 3.41Å
332Q30Very low30.5Very low195 Ų195150.7 Ų150.791%0.91179%0.787SS**  trans-13.9109.9164.2-69170.9-30.300115.5
333S29.7Very low30.2Very low116 Ų116147.7 Ų147.781%0.81178%0.781SS**  trans-114.476153.854.30000108.2S331S331-S333 PolarHBondContact O-N 3.41Å
334H30.7Very low29.7Very low177 Ų177151.5 Ų151.582%0.81980%0.801SS**  trans-120.995.6161.3-102.3-81.1000106.8
335L32.2Very low29.4Very low173 Ų173151.5 Ų151.591%0.90680%0.803SS**  trans-16793.4155.8-100.5171.1000105.7
336L33.1Very low29Very low169 Ų169152.2 Ų152.289%0.88580%0.803SS**SBendtrans160.669.7151-84.8-179.7000107.7
337T32Very low28.5Very low131 Ų131150.9 Ų150.980%0.80481%0.808SS**  trans-167.794.3152.72.70000106.5
338D27.1Very low28.4Very low157 Ų157152.3 Ų152.384%0.8481%0.809SS**  trans-118.9100.1155.6-111.6-30.5000107.9
339S27Very low28.7Very low88 Ų88151 Ų15162%0.61581%0.81SS**  41.6111.9120.6-35.30000117.9
340Q25.2Very low28.6Very low189 Ų189142.7 Ų142.788%0.88380%0.799SS**  -179.4130.198-95.5175-0.600112.7
341S24.3Very low28.4Very low91 Ų91143.6 Ų143.664%0.63680%0.8SS**  trans-58.3156.1163.953.80000112.2
342W24Very low28.2Very low221 Ų221144 Ų14484%0.83780%0.802SS**  165.3115.4123.4-88.599.9000110.8
343T26Very low28.2Very low118 Ų118144.3 Ų144.372%0.72480%0.8SS**  trans54122.9145.247.40000122.3
344E25.6Very low28.2Very low194 Ų194143.8 Ų143.891%0.90780%0.803SS**  trans-59.6135.5155.8-66.5175.4141.900112
345S25.1Very low27.9Very low107 Ų107138.6 Ų138.675%0.74880%0.797SS**  trans-170.6127.8133.460.20000112.4
346S25.8Very low27.7Very low103 Ų103139.1 Ų139.172%0.7280%0.798SS**  trans65.1101.514453.10000121.4
347T25.8Very low27.5Very low128 Ų128135.9 Ų135.979%0.78579%0.789SS**  8.2124.3125.61.20000121.4
348N28Very low27.3Very low149 Ų149137.1 Ų137.180%0.79779%0.79SS**  trans62.7151.3137.2-92.6-10.3000121.3
349P39Very low28Very low125 Ų125135.2 Ų135.281%0.81279%0.787SS**  cis-145.516538.438.8-17.8000118.9
350G26Very low28.3Very low67 Ų67135.2 Ų135.269%0.69179%0.792SS**  113.9120.6124.900000121
351K28.5Very low28.4Very low205 Ų205134.5 Ų134.589%0.89179%0.794SS**  trans92.598.5145.6-71.7-179.1175.9174.80121.3
352C26.8Very low28.8Very low121 Ų121136 Ų13682%0.81880%0.799SS**  38.6120.2119.2-64.50000121.6
353K29.6Very low29.1Very low202 Ų202132.7 Ų132.788%0.87880%0.795SS**  179.6118.4109.5-94.9173.5179.4-176.80108.4
354A29.6Very low29.4Very low104 Ų104134 Ų13486%0.8679%0.793SS**  46.5121.2100.800000113
355G25.8Very low29.6Very low69 Ų69131.4 Ų131.471%0.71179%0.785SS**  cis145.4134.411.700000106.8
356M27.9Very low29.9Very low184 Ų184135.1 Ų135.191%0.90679%0.79SS**  trans178.6109.1150.4-101.2163.275.100112.2
357S27.9Very low30.9Very low101 Ų101140.4 Ų140.471%0.70682%0.819SS**  trans29.8105.3134.155.70000122.1
358N27.6Very low31.2Very low156 Ų156141.1 Ų141.183%0.83482%0.821SS**  14.3167.4110.8-86.15.3000121
359P43.6Very low31.3Very low117 Ų117140.6 Ų140.676%0.7682%0.822SS**  cis-140.9-176.5-11.829.6-5.1000115.5
360A31.7Very low30.9Very low89 Ų89141.5 Ų141.574%0.73682%0.822SS**  trans-59.3163.7167.700000115.9
361L28.2Very low31.2Very low174 Ų174145.9 Ų145.991%0.91183%0.83SS**  trans-156.9127.9150.5-106.9143.1000111.1
362T31.6Very low31.3Very low123 Ų123142.2 Ų142.276%0.75583%0.826SS**  trans-125.8161.9167.432.90000108.4
363M30.4Very low31.7Very low150 Ų150143.6 Ų143.674%0.73983%0.827SS**  trans95.1139.1176.2-63.91705500113.5
364E32Very low31.8Very low147 Ų147139.4 Ų139.469%0.68782%0.823SS**  cis-168.8161.78.5-119.8170.4173.300109.2
365N30.3Very low32Very low139 Ų139142.2 Ų142.274%0.74382%0.821SS**  trans24.1137.2152.3-68.1-12.1000123.7
366E31.5Very low32.5Very low184 Ų184148.3 Ų148.386%0.8683%0.83SS**  170.4122.7108.4-88.5-174.5161.800107.9
367T47.3Very low32.9Very low215 Ų215145 Ų145100%1.31982%0.823SS**  -169.708621.20000111.2

Retrieved 367 of 367 residues in 125 ms (Link to these results)

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