A0A087YA55_POEFO Loading...

Ergosterol biosynthesis 28 homolog

AlphaFold DB , UniProt , Accession A0A087YA55, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 143 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
1M59.1Low87.5Confident119 Ų11983.6 Ų83.659%0.58641%0.414SS*.  0-50.70-108.367.4170.300115.6R3 F4 C127 E130M1-R3 VanDerWaalsContact C-N 3.27Å; M1-R3 PolarHBondContact O-N 3.4Å; M1-R3 VanDerWaalsContact O-N 3.14Å; M1-F4 PolarHBondContact O-N 3.36Å; M1-F4 VanDerWaalsContact O-N 3.09Å; M1-C127 HydrophobicContact CG-CB 3.81Å; M1-E130 WeakPolarHBondContact CE-OE2 3.31Å; M1-E130 VanDerWaalsContact CG-OE2 3.24Å; M1-E130 WeakPolarHBondContact CG-OE2 3.35Å; M1-E130 VanDerWaalsContact SD-OE2 3.35Å
2S70.8Confident88.3Confident83 Ų8376.7 Ų76.758%0.5838%0.38SS*.Hα-helixtrans-56-33.2-176.161.60000115.5F4 L5 N6S2-F4 PolarHBondContact O-N 3.45Å; S2-L5 PolarHBondContact O-N 2.86Å; S2-N6 PolarHBondContact O-N 2.99Å; S2-N6 VanDerWaalsContact O-N 3.13Å; S2-N6 PolarHBondContact O-ND2 3.24Å
3R84.5Confident89Confident215 Ų21576 Ų7681%0.81138%0.382SS*.Hα-helixtrans-61.8-39.9176.9-65.6-174.6179-179.9-0.4112.8M1 N6 V7M1-R3 VanDerWaalsContact C-N 3.27Å; M1-R3 PolarHBondContact O-N 3.4Å; M1-R3 VanDerWaalsContact O-N 3.14Å; R3-N6 PolarHBondContact O-N 3.25Å; R3-V7 WeakPolarHBondContact O-CG2 3.25Å; R3-V7 PolarHBondContact O-N 2.97Å
4F89.4Confident89.6Confident72 Ų7276.8 Ų76.832%0.31639%0.385SS..Hα-helixtrans-67.3-44.5-179.5179.4-97.6000111.5M1 S2 N6 V7 L8 G120 I123M1-F4 PolarHBondContact O-N 3.36Å; M1-F4 VanDerWaalsContact O-N 3.09Å; S2-F4 PolarHBondContact O-N 3.45Å; F4-N6 VanDerWaalsContact C-N 3.27Å; F4-N6 PolarHBondContact O-N 3.39Å; F4-V7 WeakPolarHBondContact O-CB 3.47Å; F4-V7 PolarHBondContact O-N 3.01Å; F4-V7 VanDerWaalsContact O-N 3.13Å; F4-L8 PolarHBondContact O-N 3.43Å; F4-G120 WeakPolarHBondContact CE1-O 3.41Å; F4-I123 HydrophobicContact CD1-CG2 4.42Å; F4-I123 HydrophobicContact CE1-CB 4.11Å; F4-I123 HydrophobicContact CE1-CG2 3.77Å; F4-I123 HydrophobicContact CE2-CG2 4.25Å; F4-I123 HydrophobicContact CZ-CB 3.91Å; F4-I123 HydrophobicContact CZ-CG2 3.66Å
5L88.6Confident90.1Very high10 Ų1072.1 Ų72.15%0.05236%0.363CS..Hα-helixtrans-63.1-34.6175.8-70.8-177.9000112.4S2 L8 R9 I131S2-L5 PolarHBondContact O-N 2.86Å; L5-L8 HydrophobicContact CD2-CD2 4.35Å; L5-L8 PolarHBondContact O-N 3.5Å; L5-R9 WeakPolarHBondContact O-CB 3.19Å; L5-R9 VanDerWaalsContact O-CG 3.29Å; L5-R9 WeakPolarHBondContact O-CG 3.24Å; L5-R9 PolarHBondContact O-N 3.4Å; L5-I131 HydrophobicContact CD1-CD1 3.26Å
6N91Very high90.5Very high79 Ų7967.9 Ų67.942%0.42234%0.342SS..Hα-helixtrans-66.1-40.3173.7-70.4-20.5000111.9S2 R3 F4 L8 R9 S10S2-N6 PolarHBondContact O-N 2.99Å; S2-N6 VanDerWaalsContact O-N 3.13Å; S2-N6 PolarHBondContact O-ND2 3.24Å; R3-N6 PolarHBondContact O-N 3.25Å; F4-N6 VanDerWaalsContact C-N 3.27Å; F4-N6 PolarHBondContact O-N 3.39Å; N6-L8 VanDerWaalsContact C-N 3.35Å; N6-R9 WeakPolarHBondContact O-CB 3.34Å; N6-R9 PolarHBondContact O-N 3.08Å; N6-S10 PolarHBondContact O-N 3.35Å; N6-S10 PolarHBondContact O-OG 3.41Å
7V94.8Very high90.9Very high97 Ų9769.4 Ų69.459%0.58836%0.355SS*.Hα-helixtrans-61.7-44.1172.2172.80000110.7R3 F4 R9 S10 W11R3-V7 WeakPolarHBondContact O-CG2 3.25Å; R3-V7 PolarHBondContact O-N 2.97Å; F4-V7 WeakPolarHBondContact O-CB 3.47Å; F4-V7 PolarHBondContact O-N 3.01Å; F4-V7 VanDerWaalsContact O-N 3.13Å; V7-R9 PolarHBondContact O-N 2.98Å; V7-S10 PolarHBondContact O-N 3.34Å; V7-W11 WeakPolarHBondContact O-CB 3.3Å; V7-W11 PolarHBondContact O-N 3.09Å
8L95Very high91.1Very high6 Ų670.6 Ų70.63%0.03136%0.361CS..Hα-helixtrans-62.8-41.2176.7-177.261.5000111.8F4 L5 N6 W11 L12 I71 Y77 M121F4-L8 PolarHBondContact O-N 3.43Å; L5-L8 HydrophobicContact CD2-CD2 4.35Å; L5-L8 PolarHBondContact O-N 3.5Å; N6-L8 VanDerWaalsContact C-N 3.35Å; L8-W11 WeakPolarHBondContact O-CB 3.42Å; L8-W11 PolarHBondContact O-N 3.32Å; L8-L12 HydrophobicContact CD1-CG 4.47Å; L8-L12 HydrophobicContact CG-CD1 4.49Å; L8-L12 VanDerWaalsContact O-CG 3.31Å; L8-L12 WeakPolarHBondContact O-CG 3.48Å; L8-L12 PolarHBondContact O-N 3.21Å; L8-I71 HydrophobicContact CB-CD1 4.34Å; L8-I71 HydrophobicContact CD2-CD1 3.97Å; L8-I71 HydrophobicContact CG-CD1 4.03Å; L8-Y77 HydrophobicContact CD2-CE2 4.1Å; L8-Y77 WeakPolarHBondContact CD2-OH 3.2Å; L8-M121 HydrophobicContact CD1-CG 4.09Å; L8-M121 HydrophobicContact CD2-CG 4.26Å
9R95.9Very high91.3Very high78 Ų7867.2 Ų67.229%0.29435%0.345SS..Hα-helixtrans-58-51.5173.1-77.4176.5166.4173-5.3111.1L5 N6 V7 W11 L12 V13 I71L5-R9 WeakPolarHBondContact O-CB 3.19Å; L5-R9 VanDerWaalsContact O-CG 3.29Å; L5-R9 WeakPolarHBondContact O-CG 3.24Å; L5-R9 PolarHBondContact O-N 3.4Å; N6-R9 WeakPolarHBondContact O-CB 3.34Å; N6-R9 PolarHBondContact O-N 3.08Å; V7-R9 PolarHBondContact O-N 2.98Å; R9-W11 VanDerWaalsContact C-N 3.29Å; R9-W11 PolarHBondContact O-N 3.34Å; R9-L12 PolarHBondContact O-N 3.05Å; R9-V13 WeakPolarHBondContact O-CG2 3.33Å; R9-V13 PolarHBondContact O-N 3.33Å; R9-I71 HydrophobicContact CG-CB 3.99Å; R9-I71 HydrophobicContact CG-CD1 3.53Å; R9-I71 HydrophobicContact CG-CG1 4.31Å; R9-I71 HydrophobicContact CG-CG2 4.11Å
10S96.2Very high91.5Very high82 Ų8268.8 Ų68.857%0.57335%0.352SS*.Hα-helixtrans-60.4-40177.7-64.50000111.9N6 V7 V13 M14N6-S10 PolarHBondContact O-N 3.35Å; N6-S10 PolarHBondContact O-OG 3.41Å; V7-S10 PolarHBondContact O-N 3.34Å; S10-V13 PolarHBondContact O-N 3.3Å; S10-M14 WeakPolarHBondContact O-CB 3.31Å; S10-M14 PolarHBondContact O-N 3.41Å
11W97.3Very high91.6Very high79 Ų7967.1 Ų67.130%0.29935%0.352SS..Hα-helixtrans-60.5-48.9174.5176.6-97.4000111.9V7 L8 R9 V13 M14 V15 V113 F116 S117V7-W11 WeakPolarHBondContact O-CB 3.3Å; V7-W11 PolarHBondContact O-N 3.09Å; L8-W11 WeakPolarHBondContact O-CB 3.42Å; L8-W11 PolarHBondContact O-N 3.32Å; R9-W11 VanDerWaalsContact C-N 3.29Å; R9-W11 PolarHBondContact O-N 3.34Å; W11-V13 VanDerWaalsContact C-N 3.33Å; W11-V13 PolarHBondContact O-N 3.42Å; W11-M14 HydrophobicContact CD2-CE 4.11Å; W11-M14 HydrophobicContact CE3-CE 3.33Å; W11-M14 HydrophobicContact CH2-CE 3.94Å; W11-M14 HydrophobicContact CZ3-CE 3.24Å; W11-M14 WeakPolarHBondContact O-CB 3.34Å; W11-M14 PolarHBondContact O-N 3.49Å; W11-V15 HydrophobicContact CD2-CG1 4.32Å; W11-V15 HydrophobicContact CZ2-CG1 3.93Å; W11-V15 WeakPolarHBondContact O-CG2 3.31Å; W11-V15 PolarHBondContact O-N 2.95Å; W11-V113 HydrophobicContact CZ2-CG1 4.47Å; W11-F116 HydrophobicContact CZ2-CB 4.36Å; W11-S117 PolarHBondContact NE1-OG 3.16Å
12L97.3Very high93.1Very high0 Ų064 Ų640%034%0.337CS..Hα-helixtrans-60.2-40.8178-71.5178.5000112.2L8 R9 V15 S16 A68 I71 T80 F84 M121L8-L12 HydrophobicContact CD1-CG 4.47Å; L8-L12 HydrophobicContact CG-CD1 4.49Å; L8-L12 VanDerWaalsContact O-CG 3.31Å; L8-L12 WeakPolarHBondContact O-CG 3.48Å; L8-L12 PolarHBondContact O-N 3.21Å; R9-L12 PolarHBondContact O-N 3.05Å; L12-V15 VanDerWaalsContact O-CG2 3.28Å; L12-V15 WeakPolarHBondContact O-CG2 3.32Å; L12-S16 WeakPolarHBondContact O-CB 3.34Å; L12-S16 PolarHBondContact O-N 3.44Å; L12-S16 PolarHBondContact O-OG 2.91Å; L12-A68 HydrophobicContact CB-CB 3.94Å; L12-I71 HydrophobicContact CD1-CD1 4.26Å; L12-T80 HydrophobicContact CD2-CG2 4.17Å; L12-F84 HydrophobicContact CD2-CE2 3.68Å; L12-F84 HydrophobicContact CD2-CZ 3.86Å; L12-M121 HydrophobicContact CD2-SD 4.34Å
13V97.7Very high94.2Very high68 Ų6860.5 Ų60.541%0.41231%0.312SS..Hα-helixtrans-62.5-48.1174.3173.30000110.7R9 S10 W11 V15 S16 V17 A68R9-V13 WeakPolarHBondContact O-CG2 3.33Å; R9-V13 PolarHBondContact O-N 3.33Å; S10-V13 PolarHBondContact O-N 3.3Å; W11-V13 VanDerWaalsContact C-N 3.33Å; W11-V13 PolarHBondContact O-N 3.42Å; V13-V15 PolarHBondContact O-N 3.06Å; V13-S16 WeakPolarHBondContact O-CB 3.37Å; V13-S16 PolarHBondContact O-N 3.22Å; V13-S16 VanDerWaalsContact O-N 3.15Å; V13-V17 HydrophobicContact CG1-CG2 4.47Å; V13-V17 WeakPolarHBondContact O-CG2 3.33Å; V13-V17 PolarHBondContact O-N 3.29Å; V13-A68 HydrophobicContact CG2-CB 3.68Å
14M97.3Very high94.6Very high87 Ų8753.6 Ų53.643%0.42929%0.294SS..Hα-helixtrans-58.1-49.9-179.4-176.7-174.270.400112S10 W11 S16 V17 I18S10-M14 WeakPolarHBondContact O-CB 3.31Å; S10-M14 PolarHBondContact O-N 3.41Å; W11-M14 HydrophobicContact CD2-CE 4.11Å; W11-M14 HydrophobicContact CE3-CE 3.33Å; W11-M14 HydrophobicContact CH2-CE 3.94Å; W11-M14 HydrophobicContact CZ3-CE 3.24Å; W11-M14 WeakPolarHBondContact O-CB 3.34Å; W11-M14 PolarHBondContact O-N 3.49Å; M14-S16 PolarHBondContact O-N 2.69Å; M14-V17 PolarHBondContact O-N 3.36Å; M14-I18 HydrophobicContact CG-CD1 4.13Å; M14-I18 WeakPolarHBondContact O-CG1 3.46Å; M14-I18 PolarHBondContact O-N 2.71Å
15V97Very high94.7Very high7 Ų754 Ų544%0.04230%0.297CS..Hα-helixtrans-67.5-26.6179.5-59.20000112.5W11 L12 V13 A19 F84 V113W11-V15 HydrophobicContact CD2-CG1 4.32Å; W11-V15 HydrophobicContact CZ2-CG1 3.93Å; W11-V15 WeakPolarHBondContact O-CG2 3.31Å; W11-V15 PolarHBondContact O-N 2.95Å; L12-V15 VanDerWaalsContact O-CG2 3.28Å; L12-V15 WeakPolarHBondContact O-CG2 3.32Å; V13-V15 PolarHBondContact O-N 3.06Å; V15-A19 VanDerWaalsContact O-CB 3.27Å; V15-A19 WeakPolarHBondContact O-CB 3.48Å; V15-A19 PolarHBondContact O-N 3.33Å; V15-F84 HydrophobicContact CG2-CE1 4.36Å; V15-F84 HydrophobicContact CG2-CZ 4.01Å; V15-V113 HydrophobicContact CB-CG1 4.32Å; V15-V113 HydrophobicContact CG1-CG1 3.74Å
16S96.6Very high94.8Very high4 Ų453.7 Ų53.73%0.02830%0.295CS..Hα-helixtrans-67.1-48.8172-56.90000110.8L12 V13 M14 I18 A19 M20 S61 R64 C65L12-S16 WeakPolarHBondContact O-CB 3.34Å; L12-S16 PolarHBondContact O-N 3.44Å; L12-S16 PolarHBondContact O-OG 2.91Å; V13-S16 WeakPolarHBondContact O-CB 3.37Å; V13-S16 PolarHBondContact O-N 3.22Å; V13-S16 VanDerWaalsContact O-N 3.15Å; M14-S16 PolarHBondContact O-N 2.69Å; S16-I18 VanDerWaalsContact C-N 3.32Å; S16-I18 PolarHBondContact O-N 3.35Å; S16-A19 WeakPolarHBondContact O-CB 3.49Å; S16-A19 PolarHBondContact O-N 3.18Å; S16-A19 VanDerWaalsContact O-N 3.1Å; S16-M20 WeakPolarHBondContact O-CG 3.5Å; S16-M20 PolarHBondContact O-N 3.32Å; S16-S61 WeakPolarHBondContact CA-OG 3.17Å; S16-S61 WeakPolarHBondContact CB-OG 3.25Å; S16-S61 PolarHBondContact O-OG 2.85Å; S16-S61 PolarHBondContact OG-O 3.37Å; S16-R64 WeakPolarHBondContact OG-CB 3.47Å; S16-C65 PolarHBondContact OG-N 2.98Å
17V96.8Very high94.8Very high93 Ų9355 Ų5556%0.56430%0.297SS*.Hα-helixtrans-58.9-44.2177.9173.10000111.5V13 M14 A19 M20 G21V13-V17 HydrophobicContact CG1-CG2 4.47Å; V13-V17 WeakPolarHBondContact O-CG2 3.33Å; V13-V17 PolarHBondContact O-N 3.29Å; M14-V17 PolarHBondContact O-N 3.36Å; V17-A19 VanDerWaalsContact C-N 3.34Å; V17-A19 PolarHBondContact O-N 3.38Å; V17-M20 PolarHBondContact O-N 3.09Å; V17-G21 PolarHBondContact O-N 3.26Å
18I95.2Very high94.5Very high91 Ų9160.6 Ų60.647%0.46731%0.308SS..Hα-helixtrans-60.5-44.9175.8-65.3167.2000110.7M14 S16 M20 G21 N22M14-I18 HydrophobicContact CG-CD1 4.13Å; M14-I18 WeakPolarHBondContact O-CG1 3.46Å; M14-I18 PolarHBondContact O-N 2.71Å; S16-I18 VanDerWaalsContact C-N 3.32Å; S16-I18 PolarHBondContact O-N 3.35Å; I18-M20 VanDerWaalsContact C-N 3.34Å; I18-M20 PolarHBondContact O-N 3.14Å; I18-G21 PolarHBondContact O-N 2.69Å; I18-G21 VanDerWaalsContact O-N 3.14Å; I18-N22 PolarHBondContact O-N 3.2Å
19A95Very high94.2Very high6 Ų663.9 Ų63.95%0.0533%0.326CS..Hα-helixtrans-63.4-36.4177.900000112.8V15 S16 V17 N22 T23 T57V15-A19 VanDerWaalsContact O-CB 3.27Å; V15-A19 WeakPolarHBondContact O-CB 3.48Å; V15-A19 PolarHBondContact O-N 3.33Å; S16-A19 WeakPolarHBondContact O-CB 3.49Å; S16-A19 PolarHBondContact O-N 3.18Å; S16-A19 VanDerWaalsContact O-N 3.1Å; V17-A19 VanDerWaalsContact C-N 3.34Å; V17-A19 PolarHBondContact O-N 3.38Å; A19-N22 PolarHBondContact O-N 2.97Å; A19-T23 PolarHBondContact O-N 2.93Å; A19-T23 PolarHBondContact O-OG1 3.43Å; A19-T57 HydrophobicContact CB-CG2 3.76Å; A19-T57 WeakPolarHBondContact O-CG2 3.25Å
20M94.9Very high93.6Very high99 Ų9964.5 Ų64.549%0.48833%0.332SS..Hα-helixtrans-63.4-41.6171.9-66.7-178.467.900111.5S16 V17 I18 N22 T23 V24 L58 S61S16-M20 WeakPolarHBondContact O-CG 3.5Å; S16-M20 PolarHBondContact O-N 3.32Å; V17-M20 PolarHBondContact O-N 3.09Å; I18-M20 VanDerWaalsContact C-N 3.34Å; I18-M20 PolarHBondContact O-N 3.14Å; M20-N22 PolarHBondContact O-N 3.29Å; M20-T23 VanDerWaalsContact O-CB 3.31Å; M20-T23 WeakPolarHBondContact O-CB 3.17Å; M20-T23 PolarHBondContact O-N 3.37Å; M20-V24 PolarHBondContact O-N 2.83Å; M20-V24 VanDerWaalsContact O-N 3.08Å; M20-L58 HydrophobicContact CG-CD1 4.31Å; M20-S61 VanDerWaalsContact CG-OG 3.29Å; M20-S61 WeakPolarHBondContact CG-OG 2.98Å
21G93.1Very high92.9Very high34 Ų3462.5 Ų62.535%0.35132%0.318SS..Hα-helixtrans-59.8-44.2173.300000112.7V17 I18 T23 V24 Q25V17-G21 PolarHBondContact O-N 3.26Å; I18-G21 PolarHBondContact O-N 2.69Å; I18-G21 VanDerWaalsContact O-N 3.14Å; G21-T23 VanDerWaalsContact C-N 3.31Å; G21-T23 PolarHBondContact O-N 3.13Å; G21-V24 PolarHBondContact O-N 3.4Å; G21-Q25 PolarHBondContact O-N 3.5Å; G21-Q25 VanDerWaalsContact O-N 3.1Å; G21-Q25 PolarHBondContact O-NE2 3.27Å
22N91.6Very high92.3Very high54 Ų5460.6 Ų60.629%0.28931%0.312SS..Hα-helixtrans-66.3-33.3176.2-70.8-7000112.6I18 A19 M20 Q25 S26 T57I18-N22 PolarHBondContact O-N 3.2Å; A19-N22 PolarHBondContact O-N 2.97Å; M20-N22 PolarHBondContact O-N 3.29Å; N22-Q25 PolarHBondContact O-N 3.41Å; N22-Q25 PolarHBondContact OD1-NE2 2.99Å; N22-S26 WeakPolarHBondContact O-CB 3.43Å; N22-S26 PolarHBondContact O-N 3.32Å; N22-S26 PolarHBondContact O-OG 3.1Å; N22-T57 HydrophobicContact CB-CG2 4.46Å
23T92.8Very high91.7Very high9 Ų960.6 Ų60.66%0.05531%0.312CS..Hα-helixtrans-59-53.5172.1-59.10000109.6A19 M20 G21 Q25 S26 F27 G54 L58A19-T23 PolarHBondContact O-N 2.93Å; A19-T23 PolarHBondContact O-OG1 3.43Å; M20-T23 VanDerWaalsContact O-CB 3.31Å; M20-T23 WeakPolarHBondContact O-CB 3.17Å; M20-T23 PolarHBondContact O-N 3.37Å; G21-T23 VanDerWaalsContact C-N 3.31Å; G21-T23 PolarHBondContact O-N 3.13Å; T23-Q25 VanDerWaalsContact C-N 3.28Å; T23-Q25 PolarHBondContact O-N 3.36Å; T23-S26 WeakPolarHBondContact O-CB 3.44Å; T23-S26 PolarHBondContact O-N 3.04Å; T23-F27 HydrophobicContact CG2-CD2 4.01Å; T23-F27 HydrophobicContact CG2-CE2 3.89Å; T23-F27 WeakPolarHBondContact O-CD2 3.05Å; T23-F27 PolarHBondContact O-N 3.34Å; T23-G54 PolarHBondContact OG1-O 3.4Å; T23-L58 HydrophobicContact CG2-CB 3.79Å; T23-L58 HydrophobicContact CG2-CD1 4.39Å; T23-L58 HydrophobicContact CG2-CD2 4.27Å; T23-L58 HydrophobicContact CG2-CG 4.36Å; T23-L58 PolarHBondContact OG1-N 3.1Å
24V93.3Very high91.1Very high71 Ų7158.3 Ų58.343%0.4330%0.299SS..Hα-helixtrans-57.9-42.1-179.5175.50000111.5M20 G21 S26 F27 R28M20-V24 PolarHBondContact O-N 2.83Å; M20-V24 VanDerWaalsContact O-N 3.08Å; G21-V24 PolarHBondContact O-N 3.4Å; V24-S26 PolarHBondContact O-N 3.24Å; V24-F27 PolarHBondContact O-N 3.13Å; V24-R28 HydrophobicContact CG1-CG 4.49Å; V24-R28 PolarHBondContact O-N 3.01Å; V24-R28 VanDerWaalsContact O-N 3.12Å
25Q90.9Very high90.6Very high81 Ų8160.2 Ų60.238%0.37931%0.307SS..Hα-helixtrans-58.8-46.9175-72.9175.886.800111.6G21 N22 T23 F27 R28 D29 F32G21-Q25 PolarHBondContact O-N 3.5Å; G21-Q25 VanDerWaalsContact O-N 3.1Å; G21-Q25 PolarHBondContact O-NE2 3.27Å; N22-Q25 PolarHBondContact O-N 3.41Å; N22-Q25 PolarHBondContact OD1-NE2 2.99Å; T23-Q25 VanDerWaalsContact C-N 3.28Å; T23-Q25 PolarHBondContact O-N 3.36Å; Q25-F27 PolarHBondContact O-N 3.31Å; Q25-R28 PolarHBondContact O-N 2.95Å; Q25-R28 VanDerWaalsContact O-N 3.07Å; Q25-D29 PolarHBondContact O-N 3.14Å; Q25-D29 VanDerWaalsContact O-O 3.1Å; Q25-F32 HydrophobicContact CB-CD1 4.47Å
26S91.1Very high90.1Very high2 Ų265 Ų651%0.01433%0.327CS..Hα-helixtrans-62.3-26.7-179.2-53.40000113.9N22 T23 V24 A50N22-S26 WeakPolarHBondContact O-CB 3.43Å; N22-S26 PolarHBondContact O-N 3.32Å; N22-S26 PolarHBondContact O-OG 3.1Å; T23-S26 WeakPolarHBondContact O-CB 3.44Å; T23-S26 PolarHBondContact O-N 3.04Å; V24-S26 PolarHBondContact O-N 3.24Å; S26-A50 WeakPolarHBondContact CB-O 3.42Å
27F90.5Very high89.7Confident106 Ų10665.4 Ų65.447%0.46533%0.329SS..Hα-helixtrans-85.1-28175.1-83.3-95.8000113.5T23 V24 Q25 R51T23-F27 HydrophobicContact CG2-CD2 4.01Å; T23-F27 HydrophobicContact CG2-CE2 3.89Å; T23-F27 WeakPolarHBondContact O-CD2 3.05Å; T23-F27 PolarHBondContact O-N 3.34Å; V24-F27 PolarHBondContact O-N 3.13Å; Q25-F27 PolarHBondContact O-N 3.31Å; F27-R51 HydrophobicContact CD1-CG 3.87Å; F27-R51 HydrophobicContact CE1-CB 4.18Å; F27-R51 HydrophobicContact CE1-CG 3.99Å; F27-R51 HydrophobicContact CG-CG 4.37Å; F27-R51 HydrophobicContact CZ-CB 4.39Å
28R90Very high89.4Confident215 Ų21561.4 Ų61.481%0.81130%0.304SS*.Hα-helixtrans-87.9-43-178.6-74.2-172.2177.6169.70.3112.7V24 Q25V24-R28 HydrophobicContact CG1-CG 4.49Å; V24-R28 PolarHBondContact O-N 3.01Å; V24-R28 VanDerWaalsContact O-N 3.12Å; Q25-R28 PolarHBondContact O-N 2.95Å; Q25-R28 VanDerWaalsContact O-N 3.07Å
29D88.5Confident89.2Confident76 Ų7659.4 Ų59.441%0.40630%0.295SS..  trans-138.2112.1-175.4-174.56.4000110Q25 S31Q25-D29 PolarHBondContact O-N 3.14Å; Q25-D29 VanDerWaalsContact O-O 3.1Å; D29-S31 VanDerWaalsContact C-N 3.33Å; D29-S31 VanDerWaalsContact OD1-CB 3.27Å; D29-S31 WeakPolarHBondContact OD1-CB 3.41Å; D29-S31 PolarHBondContact OD1-N 3.49Å; D29-S31 PolarHBondContact OD1-OG 2.9Å
30H81.9Confident88.8Confident91 Ų9161 Ų6142%0.42131%0.312SS..SBendtrans-78.6-21.6179.959.7-83.9000112.3F32 L33 A50H30-F32 PolarHBondContact O-N 2.73Å; H30-L33 PolarHBondContact O-N 2.9Å; H30-A50 HydrophobicContact CB-CB 3.51Å
31S82.8Confident88.5Confident39 Ų3957.4 Ų57.427%0.27330%0.296SS..Hα-helixtrans-65.8-24.5178.8-45.60000111.7D29 L33 S34 E35D29-S31 VanDerWaalsContact C-N 3.33Å; D29-S31 VanDerWaalsContact OD1-CB 3.27Å; D29-S31 WeakPolarHBondContact OD1-CB 3.41Å; D29-S31 PolarHBondContact OD1-N 3.49Å; D29-S31 PolarHBondContact OD1-OG 2.9Å; S31-L33 PolarHBondContact O-N 3.29Å; S31-S34 WeakPolarHBondContact CA-OG 3.39Å; S31-S34 PolarHBondContact O-N 3.5Å; S31-S34 PolarHBondContact O-OG 3.02Å; S31-E35 WeakPolarHBondContact O-CB 3.37Å; S31-E35 VanDerWaalsContact O-CG 3.31Å; S31-E35 WeakPolarHBondContact O-CG 3.27Å; S31-E35 PolarHBondContact O-N 3.32Å
32F84.8Confident88.2Confident39 Ų3958.7 Ų58.717%0.17130%0.298CS..Hα-helixtrans-51-41.6173.4170.9-101.8000112.6Q25 H30 K36 L37Q25-F32 HydrophobicContact CB-CD1 4.47Å; H30-F32 PolarHBondContact O-N 2.73Å; F32-K36 HydrophobicContact CD2-CG 3.95Å; F32-K36 HydrophobicContact CE2-CB 4.31Å; F32-K36 HydrophobicContact CE2-CG 3.91Å; F32-K36 VanDerWaalsContact O-CB 3.26Å; F32-K36 WeakPolarHBondContact O-CB 3.34Å; F32-K36 WeakPolarHBondContact O-CG 3.3Å; F32-K36 PolarHBondContact O-N 3.41Å; F32-L37 HydrophobicContact CE1-CD1 3.9Å; F32-L37 HydrophobicContact CZ-CD1 4.39Å
33L84.5Confident88.1Confident0 Ų062.2 Ų62.20%031%0.313CS..Hα-helixtrans-73-41.9-177.6-68.8-176.7000112.4H30 S31 E35 L37 Y38 V45 A50 F53H30-L33 PolarHBondContact O-N 2.9Å; S31-L33 PolarHBondContact O-N 3.29Å; L33-E35 VanDerWaalsContact C-N 3.35Å; L33-L37 HydrophobicContact CD2-CD1 3.48Å; L33-L37 VanDerWaalsContact CD2-CD1 3.48Å; L33-L37 CarbonylContact O-C 3.59Å; L33-L37 WeakPolarHBondContact O-CA 3.23Å; L33-L37 WeakPolarHBondContact O-CB 3.36Å; L33-L37 PolarHBondContact O-N 3.02Å; L33-Y38 HydrophobicContact CB-CD2 4.14Å; L33-Y38 HydrophobicContact CB-CE2 4.48Å; L33-Y38 PolarHBondContact O-N 2.86Å; L33-V45 HydrophobicContact CB-CG1 3.81Å; L33-A50 VanDerWaalsContact CD1-CA 3.43Å; L33-A50 HydrophobicContact CD1-CB 3.69Å; L33-F53 HydrophobicContact CD1-CB 3.82Å; L33-F53 HydrophobicContact CD1-CD1 3.95Å; L33-F53 HydrophobicContact CD1-CG 3.95Å; L33-F53 HydrophobicContact CD2-CD1 3.57Å; L33-F53 HydrophobicContact CD2-CE1 3.65Å; L33-F53 HydrophobicContact CD2-CG 4.16Å; L33-F53 HydrophobicContact CD2-CZ 4.28Å; L33-F53 HydrophobicContact CG-CD1 4.42Å
34S84.8Confident87.9Confident21 Ų2168.4 Ų68.415%0.14734%0.34CS..Hα-helixtrans-69.1-34.3177.445.80000112.1S31 Y38 T39S31-S34 WeakPolarHBondContact CA-OG 3.39Å; S31-S34 PolarHBondContact O-N 3.5Å; S31-S34 PolarHBondContact O-OG 3.02Å; S34-Y38 CarbonylContact O-C 3.58Å; S34-T39 WeakPolarHBondContact O-CA 3.48Å; S34-T39 WeakPolarHBondContact O-CG2 3.32Å
35E85.6Confident87.7Confident127 Ų12765.8 Ų65.859%0.59332%0.324SS*.Hα-helixtrans-81.1-27-178.4-71-178.8-172.700114.1S31 L33 T39S31-E35 WeakPolarHBondContact O-CB 3.37Å; S31-E35 VanDerWaalsContact O-CG 3.31Å; S31-E35 WeakPolarHBondContact O-CG 3.27Å; S31-E35 PolarHBondContact O-N 3.32Å; L33-E35 VanDerWaalsContact C-N 3.35Å; E35-T39 WeakPolarHBondContact O-CG2 3.49Å
36K86.9Confident87.8Confident108 Ų10866 Ų6647%0.4733%0.327SS..Hα-helixtrans-115.9-30.6-171.9-56.3-61.7178.8-173.80114.5F32 G106F32-K36 HydrophobicContact CD2-CG 3.95Å; F32-K36 HydrophobicContact CE2-CB 4.31Å; F32-K36 HydrophobicContact CE2-CG 3.91Å; F32-K36 VanDerWaalsContact O-CB 3.26Å; F32-K36 WeakPolarHBondContact O-CB 3.34Å; F32-K36 WeakPolarHBondContact O-CG 3.3Å; F32-K36 PolarHBondContact O-N 3.41Å; K36-G106 WeakPolarHBondContact O-CA 3.4Å
37L89Confident87.8Confident12 Ų1267 Ų676%0.06334%0.338CS..THydrogen-bonded Turntrans-114.9-57.8-173-75.4130.3000111.9F32 L33 T39 F91 A101 V107 P110F32-L37 HydrophobicContact CE1-CD1 3.9Å; F32-L37 HydrophobicContact CZ-CD1 4.39Å; L33-L37 HydrophobicContact CD2-CD1 3.48Å; L33-L37 VanDerWaalsContact CD2-CD1 3.48Å; L33-L37 CarbonylContact O-C 3.59Å; L33-L37 WeakPolarHBondContact O-CA 3.23Å; L33-L37 WeakPolarHBondContact O-CB 3.36Å; L33-L37 PolarHBondContact O-N 3.02Å; L37-T39 PolarHBondContact O-N 2.88Å; L37-F91 HydrophobicContact CD2-CD1 4.34Å; L37-F91 HydrophobicContact CD2-CE1 3.28Å; L37-F91 HydrophobicContact CD2-CZ 3.48Å; L37-F91 VanDerWaalsContact CD2-CZ 3.48Å; L37-A101 WeakPolarHBondContact O-CA 3.4Å; L37-A101 VanDerWaalsContact O-CB 3.25Å; L37-A101 WeakPolarHBondContact O-CB 3.49Å; L37-V107 WeakPolarHBondContact O-CG2 3.36Å; L37-P110 HydrophobicContact CD2-CG 4.17Å
38Y90.8Very high87.9Confident9 Ų967.3 Ų67.34%0.03534%0.344CS..  trans-100.855-175.2-54.9-76.7000111.4L33 S34 G40 V45 F53 H90 E94 T100 A101L33-Y38 HydrophobicContact CB-CD2 4.14Å; L33-Y38 HydrophobicContact CB-CE2 4.48Å; L33-Y38 PolarHBondContact O-N 2.86Å; S34-Y38 CarbonylContact O-C 3.58Å; Y38-G40 VanDerWaalsContact C-N 3.27Å; Y38-G40 PolarHBondContact O-N 2.85Å; Y38-V45 HydrophobicContact CD2-CG2 3.96Å; Y38-V45 HydrophobicContact CG-CG2 4.14Å; Y38-F53 HydrophobicContact CE2-CD2 4.46Å; Y38-H90 AromaticContact CZ-NE2 3.9Å; Y38-H90 PolarHBondContact OH-NE2 3.33Å; Y38-E94 HydrophobicContact CE1-CG 4.04Å; Y38-E94 WeakPolarHBondContact CE1-OE2 3.47Å; Y38-T100 CarbonylContact C-O 3.11Å; Y38-T100 WeakPolarHBondContact CA-O 3.49Å; Y38-A101 HydrophobicContact CD1-CB 4.05Å; Y38-A101 HydrophobicContact CE1-CB 4.47Å
39T90.8Very high88.1Confident48 Ų4859.7 Ų59.729%0.29432%0.317SS..THydrogen-bonded Turntrans-76.3-11.8-174.157.20000114S34 E35 L37 T100 P102S34-T39 WeakPolarHBondContact O-CA 3.48Å; S34-T39 WeakPolarHBondContact O-CG2 3.32Å; E35-T39 WeakPolarHBondContact O-CG2 3.49Å; L37-T39 PolarHBondContact O-N 2.88Å; T39-T100 PolarHBondContact N-O 3.43Å; T39-P102 WeakPolarHBondContact OG1-CD 3.38Å; T39-P102 WeakPolarHBondContact OG1-CG 3.48Å
40G86.2Confident88.3Confident39 Ų3956 Ų5640%0.40230%0.298SS..THydrogen-bonded Turntrans-77.4-29.4179.200000113.3Y38 T100 P102Y38-G40 VanDerWaalsContact C-N 3.27Å; Y38-G40 PolarHBondContact O-N 2.85Å; G40-T100 WeakPolarHBondContact CA-O 3.27Å; G40-T100 PolarHBondContact N-O 3.13Å; G40-P102 VanDerWaalsContact N-CD 3.35Å
41T88.4Confident88.9Confident25 Ų2557.7 Ų57.715%0.15330%0.301CS..  trans-145.965.6-179.656.90000109.9E43 F44 T100T41-E43 WeakPolarHBondContact CA-OE2 3.46Å; T41-E43 PolarHBondContact O-N 3.36Å; T41-E43 VanDerWaalsContact O-N 3.13Å; T41-F44 HydrophobicContact CG2-CD2 4.12Å; T41-F44 HydrophobicContact CG2-CE2 3.92Å; T41-F44 PolarHBondContact O-N 3.46Å; T41-F44 WeakPolarHBondContact OG1-CD2 3.36Å; T41-T100 HydrophobicContact CG2-CG2 4.46Å; T41-T100 WeakPolarHBondContact OG1-CB 3.19Å; T41-T100 WeakPolarHBondContact OG1-CG2 3.34Å
42P87.9Confident89.5Confident60 Ų6059.8 Ų59.839%0.3931%0.312SS..G310 helixtrans-59.3-24.6-175.826-36000113.2F44 V45P42-F44 PolarHBondContact O-N 3.04Å; P42-V45 PolarHBondContact O-N 3.34Å; P42-V45 VanDerWaalsContact O-N 3.13Å
43E88.9Confident90Very high129 Ų12958.8 Ų58.860%0.60331%0.307SS*.G310 helixtrans-63.1-21.1177.966.7-81.6-171.900114.5T41T41-E43 WeakPolarHBondContact CA-OE2 3.46Å; T41-E43 PolarHBondContact O-N 3.36Å; T41-E43 VanDerWaalsContact O-N 3.13Å
44F87.9Confident90.5Very high139 Ų13958.8 Ų58.861%0.6131%0.307SS*.G310 helixtrans-86.1-11.2176.7-61.6-32.8000113.4T41 P42T41-F44 HydrophobicContact CG2-CD2 4.12Å; T41-F44 HydrophobicContact CG2-CE2 3.92Å; T41-F44 PolarHBondContact O-N 3.46Å; T41-F44 WeakPolarHBondContact OG1-CD2 3.36Å; P42-F44 PolarHBondContact O-N 3.04Å
45V89.9Confident91.1Very high16 Ų1662.2 Ų62.210%0.09732%0.323CS..  trans-87.5114.1177.1178.30000109L33 Y38 P42L33-V45 HydrophobicContact CB-CG1 3.81Å; Y38-V45 HydrophobicContact CD2-CG2 3.96Å; Y38-V45 HydrophobicContact CG-CG2 4.14Å; P42-V45 PolarHBondContact O-N 3.34Å; P42-V45 VanDerWaalsContact O-N 3.13Å
46N92.4Very high91.7Very high85 Ų8559.6 Ų59.646%0.45531%0.308SS..  trans-122.2171.2173.265.352.3000111L48 Q49 A50N46-L48 PolarHBondContact O-N 3.21Å; N46-L48 WeakPolarHBondContact OD1-CA 3.41Å; N46-L48 WeakPolarHBondContact OD1-CB 3.31Å; N46-L48 PolarHBondContact OD1-N 3.09Å; N46-Q49 PolarHBondContact O-N 2.88Å; N46-Q49 VanDerWaalsContact O-N 3.13Å; N46-Q49 PolarHBondContact OD1-N 2.8Å; N46-A50 PolarHBondContact O-N 3.46Å
47G91.7Very high92.1Very high23 Ų2355.1 Ų55.124%0.23729%0.29CS..Hα-helixtrans-60-27.2-178.500000114.8R51G47-R51 WeakPolarHBondContact O-CG 3.46Å; G47-R51 PolarHBondContact O-N 3.47Å; G47-R51 PolarHBondContact O-NE 2.87Å
48L93.2Very high92.5Very high112 Ų11256.8 Ų56.859%0.58630%0.298SS*.Hα-helixtrans-72.8-47.1174.4-179.963000110.9N46 A50 R51 T52N46-L48 PolarHBondContact O-N 3.21Å; N46-L48 WeakPolarHBondContact OD1-CA 3.41Å; N46-L48 WeakPolarHBondContact OD1-CB 3.31Å; N46-L48 PolarHBondContact OD1-N 3.09Å; L48-A50 VanDerWaalsContact C-N 3.25Å; L48-A50 PolarHBondContact O-N 2.84Å; L48-R51 PolarHBondContact O-N 3.39Å; L48-T52 PolarHBondContact O-N 3.35Å; L48-T52 PolarHBondContact O-OG1 3.5Å; L48-T52 VanDerWaalsContact O-OG1 3.13Å
49Q92.3Very high92.9Very high55 Ų5561.1 Ų61.126%0.25732%0.321SS..Hα-helixtrans-58.5-40.4176.3-172.4-84.6-10.900111N46 T52 F53N46-Q49 PolarHBondContact O-N 2.88Å; N46-Q49 VanDerWaalsContact O-N 3.13Å; N46-Q49 PolarHBondContact OD1-N 2.8Å; Q49-T52 PolarHBondContact O-N 2.88Å; Q49-F53 WeakPolarHBondContact O-CB 3.34Å; Q49-F53 PolarHBondContact O-N 2.87Å
50A93.3Very high93.2Very high0 Ų059.1 Ų59.10%031%0.309CS..Hα-helixtrans-63.1-44177.500000113.3S26 H30 L33 N46 L48 T52 F53 G54S26-A50 WeakPolarHBondContact CB-O 3.42Å; H30-A50 HydrophobicContact CB-CB 3.51Å; L33-A50 VanDerWaalsContact CD1-CA 3.43Å; L33-A50 HydrophobicContact CD1-CB 3.69Å; N46-A50 PolarHBondContact O-N 3.46Å; L48-A50 VanDerWaalsContact C-N 3.25Å; L48-A50 PolarHBondContact O-N 2.84Å; A50-T52 VanDerWaalsContact C-N 3.35Å; A50-T52 PolarHBondContact O-N 3.25Å; A50-F53 PolarHBondContact O-N 2.8Å; A50-G54 PolarHBondContact O-N 3.13Å
51R95.1Very high93.7Very high126 Ų12657.3 Ų57.348%0.47529%0.291SS..Hα-helixtrans-66.4-36.2175.3-69.4-177.1-63.8-125.81.6112.6F27 G47 L48 G54 I55F27-R51 HydrophobicContact CD1-CG 3.87Å; F27-R51 HydrophobicContact CE1-CB 4.18Å; F27-R51 HydrophobicContact CE1-CG 3.99Å; F27-R51 HydrophobicContact CG-CG 4.37Å; F27-R51 HydrophobicContact CZ-CB 4.39Å; G47-R51 WeakPolarHBondContact O-CG 3.46Å; G47-R51 PolarHBondContact O-N 3.47Å; G47-R51 PolarHBondContact O-NE 2.87Å; L48-R51 PolarHBondContact O-N 3.39Å; R51-G54 PolarHBondContact O-N 3.48Å; R51-I55 PolarHBondContact O-N 3.16Å
52T95.5Very high94.2Very high82 Ų8261 Ų6150%0.50331%0.308SS..Hα-helixtrans-64.6-44.9174.6-59.90000111.4L48 Q49 A50 G54 I55 W56L48-T52 PolarHBondContact O-N 3.35Å; L48-T52 PolarHBondContact O-OG1 3.5Å; L48-T52 VanDerWaalsContact O-OG1 3.13Å; Q49-T52 PolarHBondContact O-N 2.88Å; A50-T52 VanDerWaalsContact C-N 3.35Å; A50-T52 PolarHBondContact O-N 3.25Å; T52-G54 VanDerWaalsContact C-N 3.3Å; T52-G54 PolarHBondContact O-N 3.04Å; T52-I55 WeakPolarHBondContact O-CG2 3.24Å; T52-I55 PolarHBondContact O-N 3.3Å; T52-W56 WeakPolarHBondContact O-CB 3.46Å; T52-W56 PolarHBondContact O-N 2.87Å
53F94.8Very high94.7Very high18 Ų1859.8 Ų59.88%0.07930%0.298CS..Hα-helixtrans-61.2-41.3172.9-178.8-89.2000111.5L33 Y38 Q49 A50 W56 T57 F91L33-F53 HydrophobicContact CD1-CB 3.82Å; L33-F53 HydrophobicContact CD1-CD1 3.95Å; L33-F53 HydrophobicContact CD1-CG 3.95Å; L33-F53 HydrophobicContact CD2-CD1 3.57Å; L33-F53 HydrophobicContact CD2-CE1 3.65Å; L33-F53 HydrophobicContact CD2-CG 4.16Å; L33-F53 HydrophobicContact CD2-CZ 4.28Å; L33-F53 HydrophobicContact CG-CD1 4.42Å; Y38-F53 HydrophobicContact CE2-CD2 4.46Å; Q49-F53 WeakPolarHBondContact O-CB 3.34Å; Q49-F53 PolarHBondContact O-N 2.87Å; A50-F53 PolarHBondContact O-N 2.8Å; F53-W56 AromaticContact CD2-CE3 3.9Å; F53-W56 HydrophobicContact CD2-CE3 3.9Å; F53-W56 AromaticContact CD2-CZ3 3.96Å; F53-W56 HydrophobicContact CD2-CZ3 3.96Å; F53-W56 AromaticContact CE2-CE3 3.99Å; F53-W56 HydrophobicContact CE2-CE3 3.99Å; F53-W56 AromaticContact CE2-CZ3 3.63Å; F53-W56 HydrophobicContact CE2-CZ3 3.63Å; F53-W56 HydrophobicContact CZ-CZ3 4.4Å; F53-W56 PolarHBondContact O-N 3.34Å; F53-T57 WeakPolarHBondContact O-CB 3.29Å; F53-T57 PolarHBondContact O-N 3.33Å; F53-T57 PolarHBondContact O-OG1 3Å; F53-F91 AromaticContact CE2-CZ 3.97Å; F53-F91 HydrophobicContact CE2-CZ 3.97Å; F53-F91 HydrophobicContact CZ-CZ 4.05Å
54G95.5Very high95.1Very high0 Ų054.7 Ų54.70%027%0.273CS..Hα-helixtrans-58.7-52.1175.600000112.6T23 A50 R51 T52 W56 T57 L58T23-G54 PolarHBondContact OG1-O 3.4Å; A50-G54 PolarHBondContact O-N 3.13Å; R51-G54 PolarHBondContact O-N 3.48Å; T52-G54 VanDerWaalsContact C-N 3.3Å; T52-G54 PolarHBondContact O-N 3.04Å; G54-W56 VanDerWaalsContact C-N 3.33Å; G54-W56 PolarHBondContact O-N 3.08Å; G54-T57 WeakPolarHBondContact O-CB 3.32Å; G54-T57 PolarHBondContact O-N 3.37Å; G54-L58 PolarHBondContact O-N 2.67Å
55I97.2Very high95.5Very high94 Ų9450.4 Ų50.448%0.48226%0.26SS..Hα-helixtrans-67-35.4-179.3-160.670.3000112.2R51 T52 T57 L58 L59R51-I55 PolarHBondContact O-N 3.16Å; T52-I55 WeakPolarHBondContact O-CG2 3.24Å; T52-I55 PolarHBondContact O-N 3.3Å; I55-T57 VanDerWaalsContact C-N 3.33Å; I55-L58 HydrophobicContact CD1-CD2 4.08Å; I55-L58 PolarHBondContact O-N 2.89Å; I55-L59 WeakPolarHBondContact O-CB 3.24Å; I55-L59 PolarHBondContact O-N 3.47Å
56W97.1Very high95.9Very high71 Ų7151.3 Ų51.327%0.26927%0.269SS..Hα-helixtrans-62.9-41173.4172.961.2000112.1T52 F53 G54 S60 A87 H90T52-W56 WeakPolarHBondContact O-CB 3.46Å; T52-W56 PolarHBondContact O-N 2.87Å; F53-W56 AromaticContact CD2-CE3 3.9Å; F53-W56 HydrophobicContact CD2-CE3 3.9Å; F53-W56 AromaticContact CD2-CZ3 3.96Å; F53-W56 HydrophobicContact CD2-CZ3 3.96Å; F53-W56 AromaticContact CE2-CE3 3.99Å; F53-W56 HydrophobicContact CE2-CE3 3.99Å; F53-W56 AromaticContact CE2-CZ3 3.63Å; F53-W56 HydrophobicContact CE2-CZ3 3.63Å; F53-W56 HydrophobicContact CZ-CZ3 4.4Å; F53-W56 PolarHBondContact O-N 3.34Å; G54-W56 VanDerWaalsContact C-N 3.33Å; G54-W56 PolarHBondContact O-N 3.08Å; W56-S60 PolarHBondContact O-N 3Å; W56-S60 VanDerWaalsContact O-N 3.09Å; W56-S60 PolarHBondContact O-OG 3.45Å; W56-A87 HydrophobicContact CH2-CB 4.33Å; W56-A87 HydrophobicContact CZ2-CB 4.49Å; W56-H90 HydrophobicContact CH2-CB 4.28Å
57T96.2Very high96.1Very high15 Ų1547.2 Ų47.29%0.09225%0.248CC..Hα-helixtrans-65.4-42.1175-59.70000111.4A19 N22 F53 G54 I55 S60 S61A19-T57 HydrophobicContact CB-CG2 3.76Å; A19-T57 WeakPolarHBondContact O-CG2 3.25Å; N22-T57 HydrophobicContact CB-CG2 4.46Å; F53-T57 WeakPolarHBondContact O-CB 3.29Å; F53-T57 PolarHBondContact O-N 3.33Å; F53-T57 PolarHBondContact O-OG1 3Å; G54-T57 WeakPolarHBondContact O-CB 3.32Å; G54-T57 PolarHBondContact O-N 3.37Å; I55-T57 VanDerWaalsContact C-N 3.33Å; T57-S60 PolarHBondContact O-N 2.91Å; T57-S61 PolarHBondContact O-N 3.35Å
58L97.4Very high96.3Very high46 Ų4646.5 Ų46.524%0.24124%0.239CC..Hα-helixtrans-63.4-45.9176.7-175.259.3000112M20 T23 G54 I55 S60 S61 I62M20-L58 HydrophobicContact CG-CD1 4.31Å; T23-L58 HydrophobicContact CG2-CB 3.79Å; T23-L58 HydrophobicContact CG2-CD1 4.39Å; T23-L58 HydrophobicContact CG2-CD2 4.27Å; T23-L58 HydrophobicContact CG2-CG 4.36Å; T23-L58 PolarHBondContact OG1-N 3.1Å; G54-L58 PolarHBondContact O-N 2.67Å; I55-L58 HydrophobicContact CD1-CD2 4.08Å; I55-L58 PolarHBondContact O-N 2.89Å; L58-S60 VanDerWaalsContact C-N 3.3Å; L58-S60 PolarHBondContact O-N 2.95Å; L58-S61 WeakPolarHBondContact O-CA 3.04Å; L58-S61 VanDerWaalsContact O-CB 3.3Å; L58-S61 WeakPolarHBondContact O-CB 3.36Å; L58-S61 PolarHBondContact O-N 3.35Å; L58-S61 VanDerWaalsContact O-N 3.09Å; L58-I62 HydrophobicContact CD1-CD1 4.43Å; L58-I62 HydrophobicContact CD1-CG1 4.5Å; L58-I62 HydrophobicContact CG-CD1 4.1Å; L58-I62 WeakPolarHBondContact O-CG1 3.44Å; L58-I62 PolarHBondContact O-N 2.98Å
59L98.2Very high96.4Very high100 Ų10047.6 Ų47.652%0.52424%0.244SC..Hα-helixtrans-56.3-48.4176.3175.762.2000110.6I55 S61 I62 I63I55-L59 WeakPolarHBondContact O-CB 3.24Å; I55-L59 PolarHBondContact O-N 3.47Å; L59-S61 VanDerWaalsContact C-N 3.28Å; L59-S61 PolarHBondContact O-N 2.73Å; L59-I62 PolarHBondContact O-N 2.93Å; L59-I63 HydrophobicContact CD1-CD1 4.08Å; L59-I63 HydrophobicContact CD1-CG1 4.49Å; L59-I63 HydrophobicContact CG-CD1 4.06Å; L59-I63 WeakPolarHBondContact O-CG1 3.33Å; L59-I63 PolarHBondContact O-N 3.29Å; L59-I63 VanDerWaalsContact O-N 3.08Å
60S97.4Very high96.5Very high6 Ų648.2 Ų48.24%0.04225%0.249CC..Hα-helixtrans-60.6-38.9177-590000111.8W56 T57 L58 R64W56-S60 PolarHBondContact O-N 3Å; W56-S60 VanDerWaalsContact O-N 3.09Å; W56-S60 PolarHBondContact O-OG 3.45Å; T57-S60 PolarHBondContact O-N 2.91Å; L58-S60 VanDerWaalsContact C-N 3.3Å; L58-S60 PolarHBondContact O-N 2.95Å; S60-R64 WeakPolarHBondContact O-CB 3.32Å; S60-R64 WeakPolarHBondContact O-CD 3.48Å; S60-R64 WeakPolarHBondContact O-CG 3.12Å; S60-R64 PolarHBondContact O-N 3.39Å
61S97.5Very high96.4Very high1 Ų148.2 Ų48.21%0.00725%0.249CC..Hα-helixtrans-63.3-44.9175.4-176.70000113S16 M20 T57 L58 L59 I63 R64 C65S16-S61 WeakPolarHBondContact CA-OG 3.17Å; S16-S61 WeakPolarHBondContact CB-OG 3.25Å; S16-S61 PolarHBondContact O-OG 2.85Å; S16-S61 PolarHBondContact OG-O 3.37Å; M20-S61 VanDerWaalsContact CG-OG 3.29Å; M20-S61 WeakPolarHBondContact CG-OG 2.98Å; T57-S61 PolarHBondContact O-N 3.35Å; L58-S61 WeakPolarHBondContact O-CA 3.04Å; L58-S61 VanDerWaalsContact O-CB 3.3Å; L58-S61 WeakPolarHBondContact O-CB 3.36Å; L58-S61 PolarHBondContact O-N 3.35Å; L58-S61 VanDerWaalsContact O-N 3.09Å; L59-S61 VanDerWaalsContact C-N 3.28Å; L59-S61 PolarHBondContact O-N 2.73Å; S61-I63 VanDerWaalsContact C-N 3.34Å; S61-I63 PolarHBondContact O-N 3.05Å; S61-R64 PolarHBondContact O-N 3.4Å; S61-C65 WeakPolarHBondContact O-CB 3.33Å; S61-C65 PolarHBondContact O-N 2.94Å
62I98.2Very high96.2Very high102 Ų10247.4 Ų47.452%0.52325%0.251SS..Hα-helixtrans-62.1-45.1179.4-69.1167.9000110.1L58 L59 R64 C65 A66L58-I62 HydrophobicContact CD1-CD1 4.43Å; L58-I62 HydrophobicContact CD1-CG1 4.5Å; L58-I62 HydrophobicContact CG-CD1 4.1Å; L58-I62 WeakPolarHBondContact O-CG1 3.44Å; L58-I62 PolarHBondContact O-N 2.98Å; L59-I62 PolarHBondContact O-N 2.93Å; I62-R64 PolarHBondContact O-N 3.43Å; I62-C65 PolarHBondContact O-N 3.42Å; I62-A66 WeakPolarHBondContact O-CB 3.26Å; I62-A66 PolarHBondContact O-N 2.98Å
63I98.1Very high96.1Very high35 Ų3546.2 Ų46.218%0.17924%0.242CC..Hα-helixtrans-59.7-47.1177.3-69.3168.5000111L59 S61 C65 A66 C67 I79 T80 T83L59-I63 HydrophobicContact CD1-CD1 4.08Å; L59-I63 HydrophobicContact CD1-CG1 4.49Å; L59-I63 HydrophobicContact CG-CD1 4.06Å; L59-I63 WeakPolarHBondContact O-CG1 3.33Å; L59-I63 PolarHBondContact O-N 3.29Å; L59-I63 VanDerWaalsContact O-N 3.08Å; S61-I63 VanDerWaalsContact C-N 3.34Å; S61-I63 PolarHBondContact O-N 3.05Å; I63-C65 PolarHBondContact O-N 2.9Å; I63-A66 PolarHBondContact O-N 3.39Å; I63-C67 WeakPolarHBondContact O-CB 3.27Å; I63-C67 PolarHBondContact O-N 3.44Å; I63-I79 HydrophobicContact CD1-CG2 4.24Å; I63-I79 HydrophobicContact CG2-CG2 3.87Å; I63-T80 WeakPolarHBondContact CG2-OG1 3.28Å; I63-T80 PolarHBondContact O-OG1 3.08Å; I63-T83 HydrophobicContact CB-CG2 4.32Å; I63-T83 HydrophobicContact CD1-CG2 3.96Å; I63-T83 HydrophobicContact CG2-CG2 3.87Å
64R97.7Very high95.9Very high22 Ų2249.6 Ų49.68%0.08325%0.254CS..Hα-helixtrans-62-41178.1-71.3163.5-169.6148.43.2112.3S16 S60 S61 I62 C67 A68 T80 F84S16-R64 WeakPolarHBondContact OG-CB 3.47Å; S60-R64 WeakPolarHBondContact O-CB 3.32Å; S60-R64 WeakPolarHBondContact O-CD 3.48Å; S60-R64 WeakPolarHBondContact O-CG 3.12Å; S60-R64 PolarHBondContact O-N 3.39Å; S61-R64 PolarHBondContact O-N 3.4Å; I62-R64 PolarHBondContact O-N 3.43Å; R64-C67 PolarHBondContact O-N 2.92Å; R64-A68 WeakPolarHBondContact O-CB 3.47Å; R64-A68 PolarHBondContact O-N 3.26Å; R64-T80 HydrophobicContact CB-CG2 4.36Å; R64-T80 HydrophobicContact CG-CG2 3.79Å; R64-F84 HydrophobicContact CG-CE2 4.11Å; R64-F84 HydrophobicContact CG-CZ 3.86Å; R64-F84 VanDerWaalsContact NE-CZ 3.27Å
65C97.2Very high95.9Very high50 Ų5054 Ų5434%0.33828%0.281SS..Hα-helixtrans-65.3-45.7176-170.70000111.5S16 S61 I62 I63 C67 A68 I69S16-C65 PolarHBondContact OG-N 2.98Å; S61-C65 WeakPolarHBondContact O-CB 3.33Å; S61-C65 PolarHBondContact O-N 2.94Å; I62-C65 PolarHBondContact O-N 3.42Å; I63-C65 PolarHBondContact O-N 2.9Å; C65-C67 VanDerWaalsContact C-N 3.31Å; C65-C67 PolarHBondContact O-N 3.27Å; C65-A68 WeakPolarHBondContact O-CB 3.28Å; C65-A68 PolarHBondContact O-N 2.89Å; C65-I69 WeakPolarHBondContact O-CG1 3.36Å; C65-I69 PolarHBondContact O-N 2.92Å
66A97.6Very high95.8Very high34 Ų3451.8 Ų51.828%0.28127%0.27SS..Hα-helixtrans-58.7-43.3175.800000111.7I62 I63 A68 I69 D70 L76I62-A66 WeakPolarHBondContact O-CB 3.26Å; I62-A66 PolarHBondContact O-N 2.98Å; I63-A66 PolarHBondContact O-N 3.39Å; A66-A68 VanDerWaalsContact C-N 3.34Å; A66-A68 PolarHBondContact O-N 2.97Å; A66-I69 PolarHBondContact O-N 3.08Å; A66-D70 PolarHBondContact O-N 3.23Å; A66-L76 HydrophobicContact CB-CD1 4.49Å; A66-L76 HydrophobicContact CB-CD2 4.5Å
67C96.9Very high95.7Very high0 Ų048.5 Ų48.50%026%0.257CS..Hα-helixtrans-67.4-30.9173.7-176.40000113I63 R64 C65 D70 I71 L76 T80I63-C67 WeakPolarHBondContact O-CB 3.27Å; I63-C67 PolarHBondContact O-N 3.44Å; R64-C67 PolarHBondContact O-N 2.92Å; C65-C67 VanDerWaalsContact C-N 3.31Å; C65-C67 PolarHBondContact O-N 3.27Å; C67-D70 CarbonylContact O-C 3.26Å; C67-D70 VanDerWaalsContact O-C 3.26Å; C67-I71 WeakPolarHBondContact O-CA 3.36Å; C67-I71 WeakPolarHBondContact O-CB 3.48Å; C67-I71 PolarHBondContact O-N 2.64Å; C67-L76 HydrophobicContact CB-CB 4.25Å; C67-T80 HydrophobicContact CB-CG2 4.13Å; C67-T80 WeakPolarHBondContact CB-OG1 3.31Å
68A95.9Very high95.7Very high7 Ų751.3 Ų51.36%0.05827%0.269CS..Hα-helixtrans-68-39.6175.100000111.6L12 V13 R64 C65 A66L12-A68 HydrophobicContact CB-CB 3.94Å; V13-A68 HydrophobicContact CG2-CB 3.68Å; R64-A68 WeakPolarHBondContact O-CB 3.47Å; R64-A68 PolarHBondContact O-N 3.26Å; C65-A68 WeakPolarHBondContact O-CB 3.28Å; C65-A68 PolarHBondContact O-N 2.89Å; A66-A68 VanDerWaalsContact C-N 3.34Å; A66-A68 PolarHBondContact O-N 2.97Å
69I95.1Very high95.7Very high135 Ų13552.9 Ų52.969%0.69228%0.277SS*.Hα-helixtrans-63.8-50.8175.9-66.1166.1000110.1C65 A66C65-I69 WeakPolarHBondContact O-CG1 3.36Å; C65-I69 PolarHBondContact O-N 2.92Å; A66-I69 PolarHBondContact O-N 3.08Å
70D94Very high95.7Very high68 Ų6848.1 Ų48.136%0.36425%0.252SS..THydrogen-bonded Turntrans-116.865.7-179.5-170.43.5000111.7A66 C67 Q72 N73 L76A66-D70 PolarHBondContact O-N 3.23Å; C67-D70 CarbonylContact O-C 3.26Å; C67-D70 VanDerWaalsContact O-C 3.26Å; D70-Q72 PolarHBondContact O-N 2.87Å; D70-Q72 VanDerWaalsContact O-N 3.13Å; D70-N73 HydrophobicContact CB-CB 4.3Å; D70-N73 WeakPolarHBondContact O-CB 3.27Å; D70-N73 PolarHBondContact O-N 3.39Å; D70-N73 VanDerWaalsContact O-N 3.13Å; D70-N73 PolarHBondContact OD1-N 3.3Å; D70-N73 WeakPolarHBondContact OD2-CB 3.25Å; D70-N73 PolarHBondContact OD2-ND2 2.84Å; D70-L76 HydrophobicContact CB-CD1 4.3Å
71I92.9Very high95.7Very high1 Ų149.1 Ų49.11%0.00526%0.257CS..THydrogen-bonded Turntrans-65.8-16.5-177.4-148.1169000113.3L8 R9 L12 C67 N73 Y77 F128L8-I71 HydrophobicContact CB-CD1 4.34Å; L8-I71 HydrophobicContact CD2-CD1 3.97Å; L8-I71 HydrophobicContact CG-CD1 4.03Å; R9-I71 HydrophobicContact CG-CB 3.99Å; R9-I71 HydrophobicContact CG-CD1 3.53Å; R9-I71 HydrophobicContact CG-CG1 4.31Å; R9-I71 HydrophobicContact CG-CG2 4.11Å; L12-I71 HydrophobicContact CD1-CD1 4.26Å; C67-I71 WeakPolarHBondContact O-CA 3.36Å; C67-I71 WeakPolarHBondContact O-CB 3.48Å; C67-I71 PolarHBondContact O-N 2.64Å; I71-N73 VanDerWaalsContact C-N 3.32Å; I71-Y77 HydrophobicContact CD1-CE2 4.31Å; I71-Y77 HydrophobicContact CG1-CD2 3.96Å; I71-Y77 HydrophobicContact CG1-CE2 3.9Å; I71-F128 WeakPolarHBondContact O-CE1 3.38Å; I71-F128 WeakPolarHBondContact O-CZ 3.26Å
72Q90.3Very high95.7Very high109 Ų10956.4 Ų56.451%0.50928%0.284SS..THydrogen-bonded Turntrans-83.2-14.4179.8-69-174.8-39.500112.1D70 R74D70-Q72 PolarHBondContact O-N 2.87Å; D70-Q72 VanDerWaalsContact O-N 3.13Å; Q72-R74 PolarHBondContact O-N 3.3Å; Q72-R74 VanDerWaalsContact O-N 3.1Å
73N92.2Very high95.7Very high57 Ų5752.1 Ų52.131%0.30526%0.263SS..  trans-71.1105.4174.2-170.8-45.6000111D70 I71 T75 L76 Y77D70-N73 HydrophobicContact CB-CB 4.3Å; D70-N73 WeakPolarHBondContact O-CB 3.27Å; D70-N73 PolarHBondContact O-N 3.39Å; D70-N73 VanDerWaalsContact O-N 3.13Å; D70-N73 PolarHBondContact OD1-N 3.3Å; D70-N73 WeakPolarHBondContact OD2-CB 3.25Å; D70-N73 PolarHBondContact OD2-ND2 2.84Å; I71-N73 VanDerWaalsContact C-N 3.32Å; N73-T75 PolarHBondContact O-N 2.97Å; N73-T75 WeakPolarHBondContact OD1-CB 3.11Å; N73-T75 PolarHBondContact OD1-N 3.01Å; N73-L76 HydrophobicContact CB-CB 4.16Å; N73-L76 HydrophobicContact CB-CD1 4.08Å; N73-L76 HydrophobicContact CB-CG 4.28Å; N73-L76 PolarHBondContact O-N 3.34Å; N73-L76 PolarHBondContact OD1-N 3.23Å; N73-L76 VanDerWaalsContact OD1-N 3.14Å; N73-Y77 WeakPolarHBondContact O-CB 3.46Å; N73-Y77 PolarHBondContact O-N 2.91Å
74R91.5Very high95.7Very high89 Ų8950.6 Ų50.634%0.33626%0.255SS..Hα-helixtrans-53.6-42.3179.9-64.6-100.5-156.1-160.61111.5Q72 Y77 H78 F128Q72-R74 PolarHBondContact O-N 3.3Å; Q72-R74 VanDerWaalsContact O-N 3.1Å; R74-Y77 WeakPolarHBondContact O-CB 3.24Å; R74-Y77 PolarHBondContact O-N 3.45Å; R74-H78 PolarHBondContact O-N 3.03Å; R74-H78 PolarHBondContact O-ND1 3.41Å; R74-F128 VanDerWaalsContact NH1-CB 3.3Å
75T94.5Very high95.7Very high93 Ų9352 Ų5257%0.57127%0.266SS*.Hα-helixtrans-64.3-49.8-177.1-570000110.9N73 Y77 H78 I79N73-T75 PolarHBondContact O-N 2.97Å; N73-T75 WeakPolarHBondContact OD1-CB 3.11Å; N73-T75 PolarHBondContact OD1-N 3.01Å; T75-Y77 VanDerWaalsContact C-N 3.26Å; T75-Y77 PolarHBondContact O-N 3.48Å; T75-H78 PolarHBondContact O-N 2.99Å; T75-I79 HydrophobicContact CG2-CD1 3.81Å; T75-I79 VanDerWaalsContact O-CG1 3.27Å; T75-I79 WeakPolarHBondContact O-CG1 3.38Å; T75-I79 PolarHBondContact O-N 3.04Å
76L95.4Very high95.7Very high47 Ų4754.8 Ų54.825%0.24628%0.277CS..Hα-helixtrans-61.3-37.5176.2-70.8176.6000112A66 C67 D70 N73 I79 T80A66-L76 HydrophobicContact CB-CD1 4.49Å; A66-L76 HydrophobicContact CB-CD2 4.5Å; C67-L76 HydrophobicContact CB-CB 4.25Å; D70-L76 HydrophobicContact CB-CD1 4.3Å; N73-L76 HydrophobicContact CB-CB 4.16Å; N73-L76 HydrophobicContact CB-CD1 4.08Å; N73-L76 HydrophobicContact CB-CG 4.28Å; N73-L76 PolarHBondContact O-N 3.34Å; N73-L76 PolarHBondContact OD1-N 3.23Å; N73-L76 VanDerWaalsContact OD1-N 3.14Å; L76-I79 PolarHBondContact O-N 3.33Å; L76-T80 VanDerWaalsContact O-CB 3.24Å; L76-T80 WeakPolarHBondContact O-CB 3.45Å; L76-T80 PolarHBondContact O-N 3.48Å; L76-T80 PolarHBondContact O-OG1 3.48Å
77Y95.8Very high95.7Very high1 Ų153.7 Ų53.70%0.00427%0.268CS..Hα-helixtrans-60.9-49.7176.9-159.5-88.7000112.4L8 I71 N73 R74 T75 T80 L81 M121 G124 F125 F128L8-Y77 HydrophobicContact CD2-CE2 4.1Å; L8-Y77 WeakPolarHBondContact CD2-OH 3.2Å; I71-Y77 HydrophobicContact CD1-CE2 4.31Å; I71-Y77 HydrophobicContact CG1-CD2 3.96Å; I71-Y77 HydrophobicContact CG1-CE2 3.9Å; N73-Y77 WeakPolarHBondContact O-CB 3.46Å; N73-Y77 PolarHBondContact O-N 2.91Å; R74-Y77 WeakPolarHBondContact O-CB 3.24Å; R74-Y77 PolarHBondContact O-N 3.45Å; T75-Y77 VanDerWaalsContact C-N 3.26Å; T75-Y77 PolarHBondContact O-N 3.48Å; Y77-T80 PolarHBondContact O-N 2.89Å; Y77-L81 WeakPolarHBondContact O-CB 3.44Å; Y77-L81 PolarHBondContact O-N 3.49Å; Y77-M121 HydrophobicContact CD1-CE 3.72Å; Y77-M121 HydrophobicContact CD2-CE 3.85Å; Y77-M121 HydrophobicContact CE1-CB 4.01Å; Y77-M121 HydrophobicContact CE1-CE 3.68Å; Y77-M121 VanDerWaalsContact CE1-O 3.31Å; Y77-M121 WeakPolarHBondContact CE1-O 3.48Å; Y77-M121 HydrophobicContact CE2-CE 3.83Å; Y77-M121 HydrophobicContact CG-CE 3.82Å; Y77-M121 WeakPolarHBondContact O-CE 3.46Å; Y77-M121 VanDerWaalsContact OH-C 3.32Å; Y77-M121 WeakPolarHBondContact OH-CA 3.49Å; Y77-M121 PolarHBondContact OH-O 3.27Å; Y77-G124 WeakPolarHBondContact OH-CA 3.44Å; Y77-F125 HydrophobicContact CD1-CD2 4.17Å; Y77-F125 HydrophobicContact CE1-CB 3.97Å; Y77-F125 HydrophobicContact CE1-CD2 4.2Å; Y77-F125 PolarHBondContact OH-N 3.26Å; Y77-F128 HydrophobicContact CD1-CE2 4.44Å; Y77-F128 AromaticContact CD2-CE2 3.91Å; Y77-F128 HydrophobicContact CD2-CE2 3.91Å; Y77-F128 AromaticContact CD2-CZ 3.58Å; Y77-F128 HydrophobicContact CD2-CZ 3.58Å; Y77-F128 HydrophobicContact CE1-CE2 4.25Å; Y77-F128 AromaticContact CE2-CE2 3.69Å; Y77-F128 HydrophobicContact CE2-CE2 3.69Å; Y77-F128 AromaticContact CE2-CZ 3.82Å; Y77-F128 HydrophobicContact CE2-CZ 3.82Å; Y77-F128 HydrophobicContact CG-CE2 4.25Å; Y77-F128 AromaticContact CG-CZ 3.93Å; Y77-F128 HydrophobicContact CG-CZ 3.93Å; Y77-F128 AromaticContact CZ-CE2 3.84Å
78H96.1Very high95.7Very high75 Ų7555.4 Ų55.435%0.34728%0.277SS..Hα-helixtrans-65.6-43.7178.7-70.294.4000111.8R74 T75 T80 L81 W82 F125R74-H78 PolarHBondContact O-N 3.03Å; R74-H78 PolarHBondContact O-ND1 3.41Å; T75-H78 PolarHBondContact O-N 2.99Å; H78-T80 VanDerWaalsContact C-N 3.28Å; H78-T80 PolarHBondContact O-N 3.38Å; H78-L81 WeakPolarHBondContact O-CB 3.36Å; H78-L81 PolarHBondContact O-N 3.09Å; H78-W82 PolarHBondContact O-N 3.24Å; H78-F125 AromaticContact CE1-CE2 3.51Å; H78-F125 AromaticContact NE2-CE2 3.51Å; H78-F125 AromaticContact NE2-CZ 3.75Å
79I97.6Very high95.8Very high79 Ų7956.9 Ų56.941%0.40529%0.293SS..Hα-helixtrans-60.4-43.8177.8-65.5169.3000109.8I63 T75 L76 W82 T83I63-I79 HydrophobicContact CD1-CG2 4.24Å; I63-I79 HydrophobicContact CG2-CG2 3.87Å; T75-I79 HydrophobicContact CG2-CD1 3.81Å; T75-I79 VanDerWaalsContact O-CG1 3.27Å; T75-I79 WeakPolarHBondContact O-CG1 3.38Å; T75-I79 PolarHBondContact O-N 3.04Å; L76-I79 PolarHBondContact O-N 3.33Å; I79-W82 WeakPolarHBondContact O-CB 3.44Å; I79-W82 PolarHBondContact O-N 3.37Å; I79-T83 WeakPolarHBondContact O-CG2 3.48Å; I79-T83 PolarHBondContact O-N 3.39Å
80T97.8Very high95.8Very high0 Ų053.1 Ų53.10%027%0.272CS..Hα-helixtrans-62.7-44.5178.1-60.70000111.9L12 I63 R64 C67 L76 Y77 H78 W82 T83 F84 M121L12-T80 HydrophobicContact CD2-CG2 4.17Å; I63-T80 WeakPolarHBondContact CG2-OG1 3.28Å; I63-T80 PolarHBondContact O-OG1 3.08Å; R64-T80 HydrophobicContact CB-CG2 4.36Å; R64-T80 HydrophobicContact CG-CG2 3.79Å; C67-T80 HydrophobicContact CB-CG2 4.13Å; C67-T80 WeakPolarHBondContact CB-OG1 3.31Å; L76-T80 VanDerWaalsContact O-CB 3.24Å; L76-T80 WeakPolarHBondContact O-CB 3.45Å; L76-T80 PolarHBondContact O-N 3.48Å; L76-T80 PolarHBondContact O-OG1 3.48Å; Y77-T80 PolarHBondContact O-N 2.89Å; H78-T80 VanDerWaalsContact C-N 3.28Å; H78-T80 PolarHBondContact O-N 3.38Å; T80-W82 VanDerWaalsContact C-N 3.29Å; T80-W82 PolarHBondContact O-N 2.92Å; T80-T83 PolarHBondContact O-N 3.31Å; T80-T83 VanDerWaalsContact O-N 3.1Å; T80-T83 PolarHBondContact O-OG1 3.46Å; T80-F84 HydrophobicContact CG2-CD2 4.4Å; T80-F84 HydrophobicContact CG2-CE2 3.89Å; T80-F84 WeakPolarHBondContact O-CD2 3.34Å; T80-F84 PolarHBondContact O-N 3.31Å; T80-M121 HydrophobicContact CG2-CE 3.91Å; T80-M121 HydrophobicContact CG2-SD 3.9Å
81L97.7Very high95.9Very high27 Ų2750.3 Ų50.314%0.14126%0.257CS..Hα-helixtrans-55.5-46.7173.6177.563.1000111Y77 H78 T83 F84 V85 I118 M121 L122Y77-L81 WeakPolarHBondContact O-CB 3.44Å; Y77-L81 PolarHBondContact O-N 3.49Å; H78-L81 WeakPolarHBondContact O-CB 3.36Å; H78-L81 PolarHBondContact O-N 3.09Å; L81-T83 VanDerWaalsContact C-N 3.3Å; L81-T83 PolarHBondContact O-N 2.89Å; L81-F84 PolarHBondContact O-N 2.94Å; L81-F84 VanDerWaalsContact O-N 3.08Å; L81-V85 PolarHBondContact O-N 2.68Å; L81-I118 HydrophobicContact CD1-CB 4.31Å; L81-I118 HydrophobicContact CD1-CG1 4.19Å; L81-I118 HydrophobicContact CD1-CG2 4.16Å; L81-M121 HydrophobicContact CB-CE 4.09Å; L81-M121 HydrophobicContact CB-SD 4.24Å; L81-M121 HydrophobicContact CD1-CB 3.97Å; L81-L122 HydrophobicContact CD2-CD2 4.11Å
82W98Very high96Very high154 Ų15453.4 Ų53.458%0.58327%0.273SS*.Hα-helixtrans-62.1-33.4177-81.5113.7000113.3H78 I79 T80 F84 V85 L86H78-W82 PolarHBondContact O-N 3.24Å; I79-W82 WeakPolarHBondContact O-CB 3.44Å; I79-W82 PolarHBondContact O-N 3.37Å; T80-W82 VanDerWaalsContact C-N 3.29Å; T80-W82 PolarHBondContact O-N 2.92Å; W82-F84 VanDerWaalsContact C-N 3.26Å; W82-F84 PolarHBondContact O-N 3.36Å; W82-V85 HydrophobicContact CE3-CB 3.94Å; W82-V85 HydrophobicContact CE3-CG1 3.85Å; W82-V85 HydrophobicContact CE3-CG2 4.45Å; W82-V85 HydrophobicContact CZ3-CB 4.32Å; W82-V85 HydrophobicContact CZ3-CG1 3.73Å; W82-V85 PolarHBondContact O-N 3.06Å; W82-L86 WeakPolarHBondContact O-CB 3.18Å; W82-L86 VanDerWaalsContact O-CG 3.32Å; W82-L86 WeakPolarHBondContact O-CG 3.13Å; W82-L86 PolarHBondContact O-N 3.1Å
83T97.9Very high96.3Very high12 Ų1249.5 Ų49.57%0.07426%0.258CS..Hα-helixtrans-61.5-35173.673.70000112.6I63 I79 T80 L81 A87I63-T83 HydrophobicContact CB-CG2 4.32Å; I63-T83 HydrophobicContact CD1-CG2 3.96Å; I63-T83 HydrophobicContact CG2-CG2 3.87Å; I79-T83 WeakPolarHBondContact O-CG2 3.48Å; I79-T83 PolarHBondContact O-N 3.39Å; T80-T83 PolarHBondContact O-N 3.31Å; T80-T83 VanDerWaalsContact O-N 3.1Å; T80-T83 PolarHBondContact O-OG1 3.46Å; L81-T83 VanDerWaalsContact C-N 3.3Å; L81-T83 PolarHBondContact O-N 2.89Å; T83-A87 WeakPolarHBondContact O-CB 3.47Å; T83-A87 PolarHBondContact O-N 2.91Å; T83-A87 VanDerWaalsContact O-N 3.16Å
84F98.1Very high96.5Very high2 Ų248.2 Ų48.21%0.00925%0.25CS..Hα-helixtrans-75.5-38.7175.5-68.1-67000112L12 V15 R64 T80 L81 W82 A87 L88 S117 I118 M121L12-F84 HydrophobicContact CD2-CE2 3.68Å; L12-F84 HydrophobicContact CD2-CZ 3.86Å; V15-F84 HydrophobicContact CG2-CE1 4.36Å; V15-F84 HydrophobicContact CG2-CZ 4.01Å; R64-F84 HydrophobicContact CG-CE2 4.11Å; R64-F84 HydrophobicContact CG-CZ 3.86Å; R64-F84 VanDerWaalsContact NE-CZ 3.27Å; T80-F84 HydrophobicContact CG2-CD2 4.4Å; T80-F84 HydrophobicContact CG2-CE2 3.89Å; T80-F84 WeakPolarHBondContact O-CD2 3.34Å; T80-F84 PolarHBondContact O-N 3.31Å; L81-F84 PolarHBondContact O-N 2.94Å; L81-F84 VanDerWaalsContact O-N 3.08Å; W82-F84 VanDerWaalsContact C-N 3.26Å; W82-F84 PolarHBondContact O-N 3.36Å; F84-A87 PolarHBondContact O-N 2.99Å; F84-L88 WeakPolarHBondContact O-CB 3.42Å; F84-L88 PolarHBondContact O-N 2.95Å; F84-S117 WeakPolarHBondContact CE1-OG 3.35Å; F84-I118 HydrophobicContact CB-CD1 4.22Å; F84-I118 HydrophobicContact CB-CG1 3.72Å; F84-M121 HydrophobicContact CD2-SD 3.9Å; F84-M121 HydrophobicContact CE2-SD 3.87Å
85V98Very high96.5Very high53 Ų5344.7 Ų44.732%0.32124%0.24SC..Hα-helixtrans-61-45.2175.2173.90000110.9L81 W82 L88 G89 I118L81-V85 PolarHBondContact O-N 2.68Å; W82-V85 HydrophobicContact CE3-CB 3.94Å; W82-V85 HydrophobicContact CE3-CG1 3.85Å; W82-V85 HydrophobicContact CE3-CG2 4.45Å; W82-V85 HydrophobicContact CZ3-CB 4.32Å; W82-V85 HydrophobicContact CZ3-CG1 3.73Å; W82-V85 PolarHBondContact O-N 3.06Å; V85-L88 PolarHBondContact O-N 3.38Å; V85-G89 PolarHBondContact O-N 3.41Å; V85-I118 HydrophobicContact CG2-CD1 4.01Å; V85-I118 HydrophobicContact CG2-CG1 4.19Å
86L97.8Very high96.5Very high107 Ų10746.6 Ų46.656%0.5624%0.24SC*.Hα-helixtrans-62.9-42176.3-71.4173.4000111.8W82 G89 H90W82-L86 WeakPolarHBondContact O-CB 3.18Å; W82-L86 VanDerWaalsContact O-CG 3.32Å; W82-L86 WeakPolarHBondContact O-CG 3.13Å; W82-L86 PolarHBondContact O-N 3.1Å; L86-G89 PolarHBondContact O-N 2.51Å; L86-H90 VanDerWaalsContact O-CB 3.25Å; L86-H90 WeakPolarHBondContact O-CB 3.48Å; L86-H90 PolarHBondContact O-N 3Å
87A96.7Very high96.5Very high12 Ų1250 Ų5010%0.09926%0.258CS..Hα-helixtrans-63-44.9176.100000112W56 T83 F84 H90 F91W56-A87 HydrophobicContact CH2-CB 4.33Å; W56-A87 HydrophobicContact CZ2-CB 4.49Å; T83-A87 WeakPolarHBondContact O-CB 3.47Å; T83-A87 PolarHBondContact O-N 2.91Å; T83-A87 VanDerWaalsContact O-N 3.16Å; F84-A87 PolarHBondContact O-N 2.99Å; A87-H90 PolarHBondContact O-N 3.45Å; A87-F91 WeakPolarHBondContact O-CD2 3.37Å; A87-F91 PolarHBondContact O-N 3.06Å; A87-F91 VanDerWaalsContact O-N 3.08Å
88L97.3Very high96.4Very high36 Ų3656.8 Ų56.819%0.18828%0.284CS..Hα-helixtrans-62.2-48.9176.9-17469.7000110.9F84 V85 H90 F91 L92 L111 A114 S115 I118F84-L88 WeakPolarHBondContact O-CB 3.42Å; F84-L88 PolarHBondContact O-N 2.95Å; V85-L88 PolarHBondContact O-N 3.38Å; L88-H90 PolarHBondContact O-N 3.23Å; L88-F91 PolarHBondContact O-N 3.16Å; L88-L92 HydrophobicContact CD1-CD1 4.21Å; L88-L92 HydrophobicContact CD1-CG 4.4Å; L88-L92 HydrophobicContact CD2-CD1 4.4Å; L88-L92 HydrophobicContact CG-CD1 3.83Å; L88-L92 HydrophobicContact CG-CG 4.37Å; L88-L92 WeakPolarHBondContact O-CB 3.42Å; L88-L92 VanDerWaalsContact O-CG 3.23Å; L88-L92 WeakPolarHBondContact O-CG 3.4Å; L88-L92 PolarHBondContact O-N 3.18Å; L88-L111 HydrophobicContact CD1-CD2 3.72Å; L88-A114 HydrophobicContact CB-CB 4.04Å; L88-A114 HydrophobicContact CD1-CB 4.31Å; L88-S115 WeakPolarHBondContact CD1-OG 3.43Å; L88-I118 HydrophobicContact CB-CD1 4.24Å; L88-I118 HydrophobicContact CD2-CD1 3.79Å
89G97.3Very high96.1Very high38 Ų3860.4 Ų60.439%0.39230%0.299SS..Hα-helixtrans-58.6-46.1178.300000112.4V85 L86 L92 S93V85-G89 PolarHBondContact O-N 3.41Å; L86-G89 PolarHBondContact O-N 2.51Å; G89-L92 PolarHBondContact O-N 2.98Å; G89-S93 WeakPolarHBondContact O-CB 3.27Å; G89-S93 PolarHBondContact O-N 3.41Å; G89-S93 PolarHBondContact O-OG 3.03Å; G89-S93 VanDerWaalsContact O-OG 3.09Å
90H96.3Very high95.8Very high56 Ų5657.5 Ų57.526%0.25929%0.285SS..Hα-helixtrans-56.7-55.3175.9178.674.6000111.8Y38 W56 L86 A87 L88 L92 S93 E94Y38-H90 AromaticContact CZ-NE2 3.9Å; Y38-H90 PolarHBondContact OH-NE2 3.33Å; W56-H90 HydrophobicContact CH2-CB 4.28Å; L86-H90 VanDerWaalsContact O-CB 3.25Å; L86-H90 WeakPolarHBondContact O-CB 3.48Å; L86-H90 PolarHBondContact O-N 3Å; A87-H90 PolarHBondContact O-N 3.45Å; L88-H90 PolarHBondContact O-N 3.23Å; H90-L92 VanDerWaalsContact C-N 3.35Å; H90-L92 PolarHBondContact O-N 3.41Å; H90-S93 PolarHBondContact O-N 2.8Å; H90-S93 PolarHBondContact O-OG 2.64Å; H90-E94 VanDerWaalsContact O-CG 3.24Å; H90-E94 WeakPolarHBondContact O-CG 3.33Å; H90-E94 PolarHBondContact O-N 3.42Å
91F94.9Very high95.5Very high8 Ų857.5 Ų57.54%0.03529%0.285CS..Hα-helixtrans-67-33.9-178.2-76.2-62.3000113.3L37 F53 A87 L88 A95 V107 P110 L111L37-F91 HydrophobicContact CD2-CD1 4.34Å; L37-F91 HydrophobicContact CD2-CE1 3.28Å; L37-F91 HydrophobicContact CD2-CZ 3.48Å; L37-F91 VanDerWaalsContact CD2-CZ 3.48Å; F53-F91 AromaticContact CE2-CZ 3.97Å; F53-F91 HydrophobicContact CE2-CZ 3.97Å; F53-F91 HydrophobicContact CZ-CZ 4.05Å; A87-F91 WeakPolarHBondContact O-CD2 3.37Å; A87-F91 PolarHBondContact O-N 3.06Å; A87-F91 VanDerWaalsContact O-N 3.08Å; L88-F91 PolarHBondContact O-N 3.16Å; F91-A95 VanDerWaalsContact O-CB 3.28Å; F91-A95 WeakPolarHBondContact O-CB 3.25Å; F91-A95 PolarHBondContact O-N 2.96Å; F91-V107 HydrophobicContact CB-CG1 4.48Å; F91-V107 HydrophobicContact CD1-CG1 4.17Å; F91-P110 HydrophobicContact CD2-CB 3.95Å; F91-P110 HydrophobicContact CD2-CG 4.2Å; F91-P110 HydrophobicContact CE1-CG 4.43Å; F91-P110 HydrophobicContact CE2-CB 3.65Å; F91-P110 HydrophobicContact CE2-CG 3.96Å; F91-P110 HydrophobicContact CZ-CB 4.21Å; F91-P110 HydrophobicContact CZ-CG 4.08Å; F91-L111 HydrophobicContact CB-CD2 3.6Å; F91-L111 HydrophobicContact CB-CG 4.1Å
92L96.1Very high95.2Very high67 Ų6758.6 Ų58.635%0.35129%0.294SS..Hα-helixtrans-66.8-41.8173-70.8175000111.6L88 G89 H90 A95 F96 L111L88-L92 HydrophobicContact CD1-CD1 4.21Å; L88-L92 HydrophobicContact CD1-CG 4.4Å; L88-L92 HydrophobicContact CD2-CD1 4.4Å; L88-L92 HydrophobicContact CG-CD1 3.83Å; L88-L92 HydrophobicContact CG-CG 4.37Å; L88-L92 WeakPolarHBondContact O-CB 3.42Å; L88-L92 VanDerWaalsContact O-CG 3.23Å; L88-L92 WeakPolarHBondContact O-CG 3.4Å; L88-L92 PolarHBondContact O-N 3.18Å; G89-L92 PolarHBondContact O-N 2.98Å; H90-L92 VanDerWaalsContact C-N 3.35Å; H90-L92 PolarHBondContact O-N 3.41Å; L92-A95 PolarHBondContact O-N 3.45Å; L92-F96 HydrophobicContact CB-CD2 4.45Å; L92-F96 HydrophobicContact CD2-CD2 4.12Å; L92-F96 HydrophobicContact CD2-CE2 3.66Å; L92-F96 VanDerWaalsContact O-CD2 3.3Å; L92-F96 WeakPolarHBondContact O-CD2 3Å; L92-F96 PolarHBondContact O-N 3.44Å; L92-L111 HydrophobicContact CD2-CD2 3.93Å; L92-L111 HydrophobicContact CG-CD2 3.95Å
93S95.9Very high94.8Very high27 Ų2755.4 Ų55.419%0.18929%0.288CS..Hα-helixtrans-65.2-41.3176.4570000112G89 H90 A95 I97 Y98G89-S93 WeakPolarHBondContact O-CB 3.27Å; G89-S93 PolarHBondContact O-N 3.41Å; G89-S93 PolarHBondContact O-OG 3.03Å; G89-S93 VanDerWaalsContact O-OG 3.09Å; H90-S93 PolarHBondContact O-N 2.8Å; H90-S93 PolarHBondContact O-OG 2.64Å; S93-A95 VanDerWaalsContact C-N 3.31Å; S93-A95 PolarHBondContact O-N 3.04Å; S93-I97 WeakPolarHBondContact O-CA 3.23Å; S93-I97 VanDerWaalsContact O-CB 3.31Å; S93-I97 WeakPolarHBondContact O-CB 3.31Å; S93-I97 PolarHBondContact O-N 2.92Å; S93-Y98 WeakPolarHBondContact O-CD2 3.49Å; S93-Y98 PolarHBondContact O-N 3.37Å
94E95.1Very high94.4Very high30 Ų3057.3 Ų57.314%0.1430%0.299CS..Hα-helixtrans-66.1-34.1177.2-66.3-70.1113.600111.9Y38 H90 Y98 K99 T100 A101Y38-E94 HydrophobicContact CE1-CG 4.04Å; Y38-E94 WeakPolarHBondContact CE1-OE2 3.47Å; H90-E94 VanDerWaalsContact O-CG 3.24Å; H90-E94 WeakPolarHBondContact O-CG 3.33Å; H90-E94 PolarHBondContact O-N 3.42Å; E94-Y98 WeakPolarHBondContact OE1-CD2 3.34Å; E94-K99 CarbonylContact O-C 3.52Å; E94-K99 VanDerWaalsContact O-CA 3.27Å; E94-K99 WeakPolarHBondContact O-CA 3.41Å; E94-K99 PolarHBondContact O-N 2.87Å; E94-T100 WeakPolarHBondContact CB-OG1 3.47Å; E94-T100 PolarHBondContact O-N 3.39Å; E94-T100 PolarHBondContact O-OG1 3.15Å; E94-T100 WeakPolarHBondContact OE2-CB 3.46Å; E94-T100 PolarHBondContact OE2-OG1 3.45Å; E94-A101 HydrophobicContact CB-CB 3.67Å; E94-A101 PolarHBondContact O-N 3.06Å
95A93.1Very high93.7Very high14 Ų1464.7 Ų64.712%0.11634%0.337CS..Hα-helixtrans-75.6-45.3177.800000113.5F91 L92 S93 A101 L103F91-A95 VanDerWaalsContact O-CB 3.28Å; F91-A95 WeakPolarHBondContact O-CB 3.25Å; F91-A95 PolarHBondContact O-N 2.96Å; L92-A95 PolarHBondContact O-N 3.45Å; S93-A95 VanDerWaalsContact C-N 3.31Å; S93-A95 PolarHBondContact O-N 3.04Å; A95-A101 VanDerWaalsContact CA-O 3.26Å; A95-A101 WeakPolarHBondContact CA-O 3.14Å; A95-A101 WeakPolarHBondContact CB-O 3.17Å; A95-L103 HydrophobicContact CB-CD2 3.88Å; A95-L103 HydrophobicContact CB-CG 4.28Å
96F94.2Very high93.2Very high133 Ų13363.4 Ų63.458%0.58334%0.335SS*.Hα-helixtrans-102-32.7-169-66.7-69.6000114.6L92 L103L92-F96 HydrophobicContact CB-CD2 4.45Å; L92-F96 HydrophobicContact CD2-CD2 4.12Å; L92-F96 HydrophobicContact CD2-CE2 3.66Å; L92-F96 VanDerWaalsContact O-CD2 3.3Å; L92-F96 WeakPolarHBondContact O-CD2 3Å; L92-F96 PolarHBondContact O-N 3.44Å; F96-L103 HydrophobicContact CE1-CD1 4.39Å; F96-L103 HydrophobicContact CZ-CD1 3.94Å
97I95.1Very high92.8Very high119 Ų11958.3 Ų58.361%0.6131%0.308SS*.THydrogen-bonded Turntrans-97.3-59.7-175.1-55.5175.3000109.5S93S93-I97 WeakPolarHBondContact O-CA 3.23Å; S93-I97 VanDerWaalsContact O-CB 3.31Å; S93-I97 WeakPolarHBondContact O-CB 3.31Å; S93-I97 PolarHBondContact O-N 2.92Å
98Y93.1Very high92.5Very high144 Ų14461.3 Ų61.357%0.56532%0.321SS*.SBendtrans-84.7-19.9-173.9-54-63.1000113.3S93 E94 T100S93-Y98 WeakPolarHBondContact O-CD2 3.49Å; S93-Y98 PolarHBondContact O-N 3.37Å; E94-Y98 WeakPolarHBondContact OE1-CD2 3.34Å; Y98-T100 PolarHBondContact O-N 3.44Å; Y98-T100 VanDerWaalsContact O-N 3.16Å
99K91.2Very high92.3Very high151 Ų15162.1 Ų62.166%0.65733%0.333SS*.  trans57.723.8177.8-56.5179179.8175.20114.3E94E94-K99 CarbonylContact O-C 3.52Å; E94-K99 VanDerWaalsContact O-CA 3.27Å; E94-K99 WeakPolarHBondContact O-CA 3.41Å; E94-K99 PolarHBondContact O-N 2.87Å
100T90.9Very high92Very high18 Ų1862 Ų6211%0.1133%0.326CS..SBendtrans-83.4-29.1178.351.60000111.5Y38 T39 G40 T41 E94 Y98 P102Y38-T100 CarbonylContact C-O 3.11Å; Y38-T100 WeakPolarHBondContact CA-O 3.49Å; T39-T100 PolarHBondContact N-O 3.43Å; G40-T100 WeakPolarHBondContact CA-O 3.27Å; G40-T100 PolarHBondContact N-O 3.13Å; T41-T100 HydrophobicContact CG2-CG2 4.46Å; T41-T100 WeakPolarHBondContact OG1-CB 3.19Å; T41-T100 WeakPolarHBondContact OG1-CG2 3.34Å; E94-T100 WeakPolarHBondContact CB-OG1 3.47Å; E94-T100 PolarHBondContact O-N 3.39Å; E94-T100 PolarHBondContact O-OG1 3.15Å; E94-T100 WeakPolarHBondContact OE2-CB 3.46Å; E94-T100 PolarHBondContact OE2-OG1 3.45Å; Y98-T100 PolarHBondContact O-N 3.44Å; Y98-T100 VanDerWaalsContact O-N 3.16Å; T100-P102 WeakPolarHBondContact O-CD 3.45Å
101A91.6Very high91.9Very high0 Ų060 Ų600%032%0.316CS..SBendtrans-122.175.4-177.400000111.2L37 Y38 E94 A95 V107L37-A101 WeakPolarHBondContact O-CA 3.4Å; L37-A101 VanDerWaalsContact O-CB 3.25Å; L37-A101 WeakPolarHBondContact O-CB 3.49Å; Y38-A101 HydrophobicContact CD1-CB 4.05Å; Y38-A101 HydrophobicContact CE1-CB 4.47Å; E94-A101 HydrophobicContact CB-CB 3.67Å; E94-A101 PolarHBondContact O-N 3.06Å; A95-A101 VanDerWaalsContact CA-O 3.26Å; A95-A101 WeakPolarHBondContact CA-O 3.14Å; A95-A101 WeakPolarHBondContact CB-O 3.17Å; A101-V107 HydrophobicContact CB-CG2 4.01Å
102P89.8Confident92Very high50 Ų5063.6 Ų63.633%0.32534%0.335SS..  trans-58.7152.9177.825.5-32.5000110.7T39 G40 T100 T104 V107T39-P102 WeakPolarHBondContact OG1-CD 3.38Å; T39-P102 WeakPolarHBondContact OG1-CG 3.48Å; G40-P102 VanDerWaalsContact N-CD 3.35Å; T100-P102 WeakPolarHBondContact O-CD 3.45Å; P102-T104 HydrophobicContact CG-CG2 4.3Å; P102-T104 PolarHBondContact O-N 2.89Å; P102-V107 WeakPolarHBondContact O-CG2 3.27Å
103L90.3Very high92Very high87 Ų8762.9 Ų62.946%0.45533%0.334SS..SBendtrans-69.766.6-175.2-64.8176.6000112.7A95 F96 V107 M108 L111A95-L103 HydrophobicContact CB-CD2 3.88Å; A95-L103 HydrophobicContact CB-CG 4.28Å; F96-L103 HydrophobicContact CE1-CD1 4.39Å; F96-L103 HydrophobicContact CZ-CD1 3.94Å; L103-V107 HydrophobicContact CD2-CG1 4.49Å; L103-M108 HydrophobicContact CB-SD 4.25Å; L103-M108 HydrophobicContact CD2-SD 4.03Å; L103-L111 HydrophobicContact CD2-CD1 3.57Å
104T89.4Confident92Very high51 Ų5161.8 Ų61.831%0.31333%0.326SS..  trans-87168.6171.766.60000110P102 G106 V107 M108P102-T104 HydrophobicContact CG-CG2 4.3Å; P102-T104 PolarHBondContact O-N 2.89Å; T104-G106 PolarHBondContact O-N 3.32Å; T104-G106 VanDerWaalsContact O-N 3.1Å; T104-V107 PolarHBondContact O-N 2.89Å; T104-M108 VanDerWaalsContact O-CG 3.27Å; T104-M108 WeakPolarHBondContact O-CG 3.46Å; T104-M108 PolarHBondContact O-N 3.37Å
105I84.6Confident92.1Very high157 Ų15762.3 Ų62.381%0.80533%0.333SS*.Hα-helixtrans-52.8-35.7176.8-65165.5000111.6A109I105-A109 PolarHBondContact O-N 2.93Å
106G86Confident92.3Very high27 Ų2767.5 Ų67.528%0.27835%0.354SS..Hα-helixtrans-68.1-33.7-179.900000114.3K36 T104 P110K36-G106 WeakPolarHBondContact O-CA 3.4Å; T104-G106 PolarHBondContact O-N 3.32Å; T104-G106 VanDerWaalsContact O-N 3.1Å; G106-P110 WeakPolarHBondContact O-CD 3.46Å
107V89.6Confident92.4Very high0 Ų061.2 Ų61.20%033%0.326CS..Hα-helixtrans-86.1-30.7176.2-179.50000111.7L37 F91 A101 P102 L103 T104 A109 P110 L111L37-V107 WeakPolarHBondContact O-CG2 3.36Å; F91-V107 HydrophobicContact CB-CG1 4.48Å; F91-V107 HydrophobicContact CD1-CG1 4.17Å; A101-V107 HydrophobicContact CB-CG2 4.01Å; P102-V107 WeakPolarHBondContact O-CG2 3.27Å; L103-V107 HydrophobicContact CD2-CG1 4.49Å; T104-V107 PolarHBondContact O-N 2.89Å; V107-A109 VanDerWaalsContact C-N 3.31Å; V107-A109 PolarHBondContact O-N 3.21Å; V107-P110 WeakPolarHBondContact O-CD 3.36Å; V107-P110 VanDerWaalsContact O-CG 3.23Å; V107-P110 WeakPolarHBondContact O-CG 3.37Å; V107-L111 HydrophobicContact CG1-CD1 4.03Å; V107-L111 HydrophobicContact CG1-CG 4.39Å; V107-L111 WeakPolarHBondContact O-CG 3.34Å; V107-L111 PolarHBondContact O-N 3.27Å
108M91.2Very high92.5Very high74 Ų7456.7 Ų56.737%0.36530%0.303SS..Hα-helixtrans-63.8-36.3177.1-71.8-59.7-63.900112.5L103 T104 L111 L112L103-M108 HydrophobicContact CB-SD 4.25Å; L103-M108 HydrophobicContact CD2-SD 4.03Å; T104-M108 VanDerWaalsContact O-CG 3.27Å; T104-M108 WeakPolarHBondContact O-CG 3.46Å; T104-M108 PolarHBondContact O-N 3.37Å; M108-L111 PolarHBondContact O-N 2.9Å; M108-L111 HydrophobicContact SD-CD1 4.23Å; M108-L112 WeakPolarHBondContact O-CB 3.29Å; M108-L112 VanDerWaalsContact O-CG 3.32Å; M108-L112 WeakPolarHBondContact O-CG 3.3Å; M108-L112 PolarHBondContact O-N 3.09Å
109A91.8Very high92.7Very high54 Ų5454.2 Ų54.245%0.44630%0.298SS..Hα-helixtrans-57.7-55.6177.400000113.5I105 V107 L111 L112 V113I105-A109 PolarHBondContact O-N 2.93Å; V107-A109 VanDerWaalsContact C-N 3.31Å; V107-A109 PolarHBondContact O-N 3.21Å; A109-L111 VanDerWaalsContact C-N 3.34Å; A109-L111 PolarHBondContact O-N 3.39Å; A109-L112 PolarHBondContact O-N 2.93Å; A109-V113 WeakPolarHBondContact O-CB 3.36Å; A109-V113 VanDerWaalsContact O-CG2 3.31Å; A109-V113 WeakPolarHBondContact O-CG2 3.38Å; A109-V113 PolarHBondContact O-N 3.39Å
110P92.4Very high92.9Very high36 Ų3647.6 Ų47.623%0.23427%0.273CS..Hα-helixtrans-64.9-33.517722.8-31.7000113.2L37 F91 G106 V107 A114L37-P110 HydrophobicContact CD2-CG 4.17Å; F91-P110 HydrophobicContact CD2-CB 3.95Å; F91-P110 HydrophobicContact CD2-CG 4.2Å; F91-P110 HydrophobicContact CE1-CG 4.43Å; F91-P110 HydrophobicContact CE2-CB 3.65Å; F91-P110 HydrophobicContact CE2-CG 3.96Å; F91-P110 HydrophobicContact CZ-CB 4.21Å; F91-P110 HydrophobicContact CZ-CG 4.08Å; G106-P110 WeakPolarHBondContact O-CD 3.46Å; V107-P110 WeakPolarHBondContact O-CD 3.36Å; V107-P110 VanDerWaalsContact O-CG 3.23Å; V107-P110 WeakPolarHBondContact O-CG 3.37Å; P110-A114 VanDerWaalsContact O-CB 3.27Å; P110-A114 WeakPolarHBondContact O-CB 3.43Å; P110-A114 PolarHBondContact O-N 3.13Å
111L94.6Very high93.2Very high13 Ų1346.8 Ų46.87%0.06827%0.268CS..Hα-helixtrans-61.5-47.1174.8-75173.9000112L88 F91 L92 L103 V107 M108 A109 S115L88-L111 HydrophobicContact CD1-CD2 3.72Å; F91-L111 HydrophobicContact CB-CD2 3.6Å; F91-L111 HydrophobicContact CB-CG 4.1Å; L92-L111 HydrophobicContact CD2-CD2 3.93Å; L92-L111 HydrophobicContact CG-CD2 3.95Å; L103-L111 HydrophobicContact CD2-CD1 3.57Å; V107-L111 HydrophobicContact CG1-CD1 4.03Å; V107-L111 HydrophobicContact CG1-CG 4.39Å; V107-L111 WeakPolarHBondContact O-CG 3.34Å; V107-L111 PolarHBondContact O-N 3.27Å; M108-L111 PolarHBondContact O-N 2.9Å; M108-L111 HydrophobicContact SD-CD1 4.23Å; A109-L111 VanDerWaalsContact C-N 3.34Å; A109-L111 PolarHBondContact O-N 3.39Å; L111-S115 VanDerWaalsContact O-CB 3.32Å; L111-S115 WeakPolarHBondContact O-CB 3.46Å; L111-S115 PolarHBondContact O-N 3.26Å; L111-S115 PolarHBondContact O-OG 3.13Å
112L95.6Very high93.3Very high83 Ų8351 Ų5144%0.43529%0.29SS..Hα-helixtrans-66.4-45.6178.1-71175.7000111.4M108 A109 A114 S115 F116M108-L112 WeakPolarHBondContact O-CB 3.29Å; M108-L112 VanDerWaalsContact O-CG 3.32Å; M108-L112 WeakPolarHBondContact O-CG 3.3Å; M108-L112 PolarHBondContact O-N 3.09Å; A109-L112 PolarHBondContact O-N 2.93Å; L112-A114 VanDerWaalsContact C-N 3.33Å; L112-A114 PolarHBondContact O-N 3.17Å; L112-S115 PolarHBondContact O-N 3.26Å; L112-F116 HydrophobicContact CB-CD2 4.29Å; L112-F116 HydrophobicContact CB-CE2 4.11Å; L112-F116 HydrophobicContact CD2-CE2 4.27Å; L112-F116 WeakPolarHBondContact O-CB 3.44Å; L112-F116 WeakPolarHBondContact O-CD2 3.22Å; L112-F116 WeakPolarHBondContact O-CG 3.35Å; L112-F116 PolarHBondContact O-N 2.78Å
113V96Very high93.5Very high53 Ų5352.2 Ų52.232%0.32129%0.293SS..Hα-helixtrans-59.3-45.4177.9169.40000110.9W11 V15 A109 S117W11-V113 HydrophobicContact CZ2-CG1 4.47Å; V15-V113 HydrophobicContact CB-CG1 4.32Å; V15-V113 HydrophobicContact CG1-CG1 3.74Å; A109-V113 WeakPolarHBondContact O-CB 3.36Å; A109-V113 VanDerWaalsContact O-CG2 3.31Å; A109-V113 WeakPolarHBondContact O-CG2 3.38Å; A109-V113 PolarHBondContact O-N 3.39Å; V113-S117 VanDerWaalsContact O-CB 3.25Å; V113-S117 WeakPolarHBondContact O-CB 3.49Å; V113-S117 PolarHBondContact O-N 3.46Å; V113-S117 PolarHBondContact O-OG 3.37Å
114A96.8Very high93.5Very high3 Ų348.1 Ų48.13%0.02527%0.272CS..Hα-helixtrans-64-45.5177.200000111.6L88 P110 L112 S117 I118L88-A114 HydrophobicContact CB-CB 4.04Å; L88-A114 HydrophobicContact CD1-CB 4.31Å; P110-A114 VanDerWaalsContact O-CB 3.27Å; P110-A114 WeakPolarHBondContact O-CB 3.43Å; P110-A114 PolarHBondContact O-N 3.13Å; L112-A114 VanDerWaalsContact C-N 3.33Å; L112-A114 PolarHBondContact O-N 3.17Å; A114-S117 PolarHBondContact O-N 2.82Å; A114-I118 WeakPolarHBondContact O-CD1 3.18Å; A114-I118 VanDerWaalsContact O-CG1 3.27Å; A114-I118 WeakPolarHBondContact O-CG1 3.42Å; A114-I118 PolarHBondContact O-N 2.96Å
115S96.8Very high93.5Very high41 Ų4149.3 Ų49.329%0.28727%0.273SS..Hα-helixtrans-61.8-49.6-179.7-58.50000112.4L88 L111 L112 S117 I118 I119L88-S115 WeakPolarHBondContact CD1-OG 3.43Å; L111-S115 VanDerWaalsContact O-CB 3.32Å; L111-S115 WeakPolarHBondContact O-CB 3.46Å; L111-S115 PolarHBondContact O-N 3.26Å; L111-S115 PolarHBondContact O-OG 3.13Å; L112-S115 PolarHBondContact O-N 3.26Å; S115-S117 VanDerWaalsContact C-N 3.3Å; S115-S117 PolarHBondContact O-N 3.24Å; S115-I118 PolarHBondContact O-N 2.97Å; S115-I119 WeakPolarHBondContact O-CG1 3.35Å; S115-I119 PolarHBondContact O-N 2.85Å
116F96.9Very high93.6Very high124 Ų12448.6 Ų48.654%0.54427%0.266SS..Hα-helixtrans-63.6-37.1177.2-70.5-51.1000112.1W11 L112 I119 G120W11-F116 HydrophobicContact CZ2-CB 4.36Å; L112-F116 HydrophobicContact CB-CD2 4.29Å; L112-F116 HydrophobicContact CB-CE2 4.11Å; L112-F116 HydrophobicContact CD2-CE2 4.27Å; L112-F116 WeakPolarHBondContact O-CB 3.44Å; L112-F116 WeakPolarHBondContact O-CD2 3.22Å; L112-F116 WeakPolarHBondContact O-CG 3.35Å; L112-F116 PolarHBondContact O-N 2.78Å; F116-I119 PolarHBondContact O-N 3.14Å; F116-G120 PolarHBondContact O-N 2.88Å
117S97.3Very high93.3Very high0 Ų047.6 Ų47.60%026%0.255CS..Hα-helixtrans-66-43.2176.9-57.40000111.8W11 F84 V113 A114 S115 G120 M121W11-S117 PolarHBondContact NE1-OG 3.16Å; F84-S117 WeakPolarHBondContact CE1-OG 3.35Å; V113-S117 VanDerWaalsContact O-CB 3.25Å; V113-S117 WeakPolarHBondContact O-CB 3.49Å; V113-S117 PolarHBondContact O-N 3.46Å; V113-S117 PolarHBondContact O-OG 3.37Å; A114-S117 PolarHBondContact O-N 2.82Å; S115-S117 VanDerWaalsContact C-N 3.3Å; S115-S117 PolarHBondContact O-N 3.24Å; S117-G120 PolarHBondContact O-N 3.43Å; S117-M121 VanDerWaalsContact O-CB 3.32Å; S117-M121 WeakPolarHBondContact O-CB 3.46Å; S117-M121 VanDerWaalsContact O-CG 3.24Å; S117-M121 WeakPolarHBondContact O-CG 3.36Å; S117-M121 PolarHBondContact O-N 3.43Å
118I97.8Very high92.7Very high24 Ų2448.2 Ų48.212%0.12326%0.257CS..Hα-helixtrans-59.8-51.6175.7-70.3161.5000110L81 F84 V85 L88 A114 S115 G120 M121 L122L81-I118 HydrophobicContact CD1-CB 4.31Å; L81-I118 HydrophobicContact CD1-CG1 4.19Å; L81-I118 HydrophobicContact CD1-CG2 4.16Å; F84-I118 HydrophobicContact CB-CD1 4.22Å; F84-I118 HydrophobicContact CB-CG1 3.72Å; V85-I118 HydrophobicContact CG2-CD1 4.01Å; V85-I118 HydrophobicContact CG2-CG1 4.19Å; L88-I118 HydrophobicContact CB-CD1 4.24Å; L88-I118 HydrophobicContact CD2-CD1 3.79Å; A114-I118 WeakPolarHBondContact O-CD1 3.18Å; A114-I118 VanDerWaalsContact O-CG1 3.27Å; A114-I118 WeakPolarHBondContact O-CG1 3.42Å; A114-I118 PolarHBondContact O-N 2.96Å; S115-I118 PolarHBondContact O-N 2.97Å; I118-G120 PolarHBondContact O-N 3.34Å; I118-M121 PolarHBondContact O-N 3.49Å; I118-L122 HydrophobicContact CG2-CD1 3.86Å; I118-L122 HydrophobicContact CG2-CG 4.35Å; I118-L122 VanDerWaalsContact O-CG 3.31Å; I118-L122 WeakPolarHBondContact O-CG 3.31Å; I118-L122 PolarHBondContact O-N 2.96Å
119I97Very high91.7Very high92 Ų9248.1 Ų48.147%0.47226%0.262SS..Hα-helixtrans-59.5-48.1179.8-66.7165.9000110.5S115 F116 M121 L122 I123S115-I119 WeakPolarHBondContact O-CG1 3.35Å; S115-I119 PolarHBondContact O-N 2.85Å; F116-I119 PolarHBondContact O-N 3.14Å; I119-M121 VanDerWaalsContact C-N 3.28Å; I119-M121 PolarHBondContact O-N 3.05Å; I119-L122 PolarHBondContact O-N 3.08Å; I119-I123 HydrophobicContact CG2-CD1 3.79Å; I119-I123 HydrophobicContact CG2-CG1 4.48Å; I119-I123 WeakPolarHBondContact O-CG1 3.41Å; I119-I123 PolarHBondContact O-N 3.1Å
120G95.5Very high90.5Very high13 Ų1350 Ų5013%0.13426%0.262CS..Hα-helixtrans-60.2-38.3178.700000112.7F4 F116 S117 I118 G124F4-G120 WeakPolarHBondContact CE1-O 3.41Å; F116-G120 PolarHBondContact O-N 2.88Å; S117-G120 PolarHBondContact O-N 3.43Å; I118-G120 PolarHBondContact O-N 3.34Å; G120-G124 PolarHBondContact O-N 2.96Å
121M95.7Very high89.3Confident0 Ų049.7 Ų49.70%026%0.258CS..Hα-helixtrans-73.9-33.7175.9-71.5-170.277.800113.1L8 L12 Y77 T80 L81 F84 S117 I118 I119 G124 F125L8-M121 HydrophobicContact CD1-CG 4.09Å; L8-M121 HydrophobicContact CD2-CG 4.26Å; L12-M121 HydrophobicContact CD2-SD 4.34Å; Y77-M121 HydrophobicContact CD1-CE 3.72Å; Y77-M121 HydrophobicContact CD2-CE 3.85Å; Y77-M121 HydrophobicContact CE1-CB 4.01Å; Y77-M121 HydrophobicContact CE1-CE 3.68Å; Y77-M121 VanDerWaalsContact CE1-O 3.31Å; Y77-M121 WeakPolarHBondContact CE1-O 3.48Å; Y77-M121 HydrophobicContact CE2-CE 3.83Å; Y77-M121 HydrophobicContact CG-CE 3.82Å; Y77-M121 WeakPolarHBondContact O-CE 3.46Å; Y77-M121 VanDerWaalsContact OH-C 3.32Å; Y77-M121 WeakPolarHBondContact OH-CA 3.49Å; Y77-M121 PolarHBondContact OH-O 3.27Å; T80-M121 HydrophobicContact CG2-CE 3.91Å; T80-M121 HydrophobicContact CG2-SD 3.9Å; L81-M121 HydrophobicContact CB-CE 4.09Å; L81-M121 HydrophobicContact CB-SD 4.24Å; L81-M121 HydrophobicContact CD1-CB 3.97Å; F84-M121 HydrophobicContact CD2-SD 3.9Å; F84-M121 HydrophobicContact CE2-SD 3.87Å; S117-M121 VanDerWaalsContact O-CB 3.32Å; S117-M121 WeakPolarHBondContact O-CB 3.46Å; S117-M121 VanDerWaalsContact O-CG 3.24Å; S117-M121 WeakPolarHBondContact O-CG 3.36Å; S117-M121 PolarHBondContact O-N 3.43Å; I118-M121 PolarHBondContact O-N 3.49Å; I119-M121 VanDerWaalsContact C-N 3.28Å; I119-M121 PolarHBondContact O-N 3.05Å; M121-G124 PolarHBondContact O-N 2.92Å; M121-F125 WeakPolarHBondContact O-CB 3.44Å; M121-F125 PolarHBondContact O-N 2.98Å
122L95Very high88Confident89 Ų8955.6 Ų55.647%0.46629%0.285SS..Hα-helixtrans-67.6-42.6174.8-69.7173.5000111.5L81 I118 I119 G124 F125 Q126L81-L122 HydrophobicContact CD2-CD2 4.11Å; I118-L122 HydrophobicContact CG2-CD1 3.86Å; I118-L122 HydrophobicContact CG2-CG 4.35Å; I118-L122 VanDerWaalsContact O-CG 3.31Å; I118-L122 WeakPolarHBondContact O-CG 3.31Å; I118-L122 PolarHBondContact O-N 2.96Å; I119-L122 PolarHBondContact O-N 3.08Å; L122-G124 VanDerWaalsContact C-N 3.33Å; L122-F125 WeakPolarHBondContact O-CB 3.5Å; L122-F125 PolarHBondContact O-N 2.88Å; L122-Q126 PolarHBondContact O-N 3.46Å
123I92.8Very high86.8Confident76 Ų7659 Ų5939%0.3930%0.299SS..Hα-helixtrans-63.5-42.4173.4-63.7168000110.2F4 I119 F125 Q126 C127F4-I123 HydrophobicContact CD1-CG2 4.42Å; F4-I123 HydrophobicContact CE1-CB 4.11Å; F4-I123 HydrophobicContact CE1-CG2 3.77Å; F4-I123 HydrophobicContact CE2-CG2 4.25Å; F4-I123 HydrophobicContact CZ-CB 3.91Å; F4-I123 HydrophobicContact CZ-CG2 3.66Å; I119-I123 HydrophobicContact CG2-CD1 3.79Å; I119-I123 HydrophobicContact CG2-CG1 4.48Å; I119-I123 WeakPolarHBondContact O-CG1 3.41Å; I119-I123 PolarHBondContact O-N 3.1Å; I123-F125 VanDerWaalsContact C-N 3.31Å; I123-F125 PolarHBondContact O-N 3.35Å; I123-Q126 PolarHBondContact O-N 2.89Å; I123-C127 PolarHBondContact O-SG 3.36Å; I123-C127 VanDerWaalsContact O-SG 3.38Å
124G90.4Very high85.6Confident0 Ų062.3 Ų62.30%031%0.311CS..Hα-helixtrans-63.4-37.2177.600000112.6Y77 G120 M121 L122 Q126 C127 F128Y77-G124 WeakPolarHBondContact OH-CA 3.44Å; G120-G124 PolarHBondContact O-N 2.96Å; M121-G124 PolarHBondContact O-N 2.92Å; L122-G124 VanDerWaalsContact C-N 3.33Å; G124-Q126 VanDerWaalsContact C-N 3.32Å; G124-Q126 PolarHBondContact O-N 3.48Å; G124-C127 VanDerWaalsContact O-CB 3.3Å; G124-C127 WeakPolarHBondContact O-CB 3.4Å; G124-C127 PolarHBondContact O-N 3.24Å; G124-F128 VanDerWaalsContact O-CD2 3.25Å; G124-F128 WeakPolarHBondContact O-CD2 3.34Å
125F89.2Confident84.3Confident76 Ų7665.7 Ų65.733%0.33333%0.331SS..Hα-helixtrans-61-39.7177.4-171.7-107000112.5Y77 H78 M121 L122 I123 C127 F128Y77-F125 HydrophobicContact CD1-CD2 4.17Å; Y77-F125 HydrophobicContact CE1-CB 3.97Å; Y77-F125 HydrophobicContact CE1-CD2 4.2Å; Y77-F125 PolarHBondContact OH-N 3.26Å; H78-F125 AromaticContact CE1-CE2 3.51Å; H78-F125 AromaticContact NE2-CE2 3.51Å; H78-F125 AromaticContact NE2-CZ 3.75Å; M121-F125 WeakPolarHBondContact O-CB 3.44Å; M121-F125 PolarHBondContact O-N 2.98Å; L122-F125 WeakPolarHBondContact O-CB 3.5Å; L122-F125 PolarHBondContact O-N 2.88Å; I123-F125 VanDerWaalsContact C-N 3.31Å; I123-F125 PolarHBondContact O-N 3.35Å; F125-C127 PolarHBondContact O-N 3.26Å; F125-F128 HydrophobicContact CD2-CD2 4.46Å; F125-F128 PolarHBondContact O-N 2.95Å; F125-F128 VanDerWaalsContact O-N 3.16Å
126Q87.2Confident83.1Confident142 Ų14265.5 Ų65.566%0.66434%0.336SS*.Hα-helixtrans-63.2-21.8176-66174.3-23.500112.8L122 I123 G124 P129L122-Q126 PolarHBondContact O-N 3.46Å; I123-Q126 PolarHBondContact O-N 2.89Å; G124-Q126 VanDerWaalsContact C-N 3.32Å; G124-Q126 PolarHBondContact O-N 3.48Å; Q126-P129 WeakPolarHBondContact O-CD 3.48Å
127C80.4Confident82Confident6 Ų662.4 Ų62.44%0.04133%0.333CS..THydrogen-bonded Turntrans-82.5-12.3178.3-57.90000113.7M1 I123 G124 F125 I131M1-C127 HydrophobicContact CG-CB 3.81Å; I123-C127 PolarHBondContact O-SG 3.36Å; I123-C127 VanDerWaalsContact O-SG 3.38Å; G124-C127 VanDerWaalsContact O-CB 3.3Å; G124-C127 WeakPolarHBondContact O-CB 3.4Å; G124-C127 PolarHBondContact O-N 3.24Å; F125-C127 PolarHBondContact O-N 3.26Å; C127-I131 WeakPolarHBondContact O-CD1 3.46Å; C127-I131 WeakPolarHBondContact O-CG1 3.39Å
128F77.2Confident80.8Confident14 Ų1471.2 Ų71.26%0.06137%0.366CS..Hα-helixtrans-66.6-42.2-176.7-83.6-108.1000115.3I71 R74 Y77 G124 F125 E130 I131 Q132I71-F128 WeakPolarHBondContact O-CE1 3.38Å; I71-F128 WeakPolarHBondContact O-CZ 3.26Å; R74-F128 VanDerWaalsContact NH1-CB 3.3Å; Y77-F128 HydrophobicContact CD1-CE2 4.44Å; Y77-F128 AromaticContact CD2-CE2 3.91Å; Y77-F128 HydrophobicContact CD2-CE2 3.91Å; Y77-F128 AromaticContact CD2-CZ 3.58Å; Y77-F128 HydrophobicContact CD2-CZ 3.58Å; Y77-F128 HydrophobicContact CE1-CE2 4.25Å; Y77-F128 AromaticContact CE2-CE2 3.69Å; Y77-F128 HydrophobicContact CE2-CE2 3.69Å; Y77-F128 AromaticContact CE2-CZ 3.82Å; Y77-F128 HydrophobicContact CE2-CZ 3.82Å; Y77-F128 HydrophobicContact CG-CE2 4.25Å; Y77-F128 AromaticContact CG-CZ 3.93Å; Y77-F128 HydrophobicContact CG-CZ 3.93Å; Y77-F128 AromaticContact CZ-CE2 3.84Å; G124-F128 VanDerWaalsContact O-CD2 3.25Å; G124-F128 WeakPolarHBondContact O-CD2 3.34Å; F125-F128 HydrophobicContact CD2-CD2 4.46Å; F125-F128 PolarHBondContact O-N 2.95Å; F125-F128 VanDerWaalsContact O-N 3.16Å; F128-E130 VanDerWaalsContact C-N 3.3Å; F128-E130 PolarHBondContact O-N 3.29Å; F128-I131 PolarHBondContact O-N 3.07Å; F128-Q132 PolarHBondContact O-N 2.95Å
129P69.8Low79.4Confident71 Ų7176.6 Ų76.646%0.46139%0.391SS..Hα-helixtrans-57.5-42.9179.7-22.733.4000112.4Q126 I131 Q132 E133Q126-P129 WeakPolarHBondContact O-CD 3.48Å; P129-I131 VanDerWaalsContact C-N 3.32Å; P129-I131 PolarHBondContact O-N 3.13Å; P129-Q132 PolarHBondContact O-N 3.13Å; P129-E133 PolarHBondContact O-N 2.87Å
130E66.3Low78.1Confident95 Ų9580.6 Ų80.644%0.44441%0.405SS..Hα-helixtrans-61.9-37.3-179.7-64.5-176.8167.800112.6M1 F128 Q132 E133 E134M1-E130 WeakPolarHBondContact CE-OE2 3.31Å; M1-E130 VanDerWaalsContact CG-OE2 3.24Å; M1-E130 WeakPolarHBondContact CG-OE2 3.35Å; M1-E130 VanDerWaalsContact SD-OE2 3.35Å; F128-E130 VanDerWaalsContact C-N 3.3Å; F128-E130 PolarHBondContact O-N 3.29Å; E130-Q132 VanDerWaalsContact C-N 3.33Å; E130-Q132 PolarHBondContact O-N 2.84Å; E130-E133 PolarHBondContact O-N 3.38Å; E130-E134 PolarHBondContact O-N 3.18Å
131I66.4Low76.8Confident28 Ų2889.2 Ų89.214%0.14444%0.439CS..Hα-helixtrans-70.5-34.2-178.7-64.4166.7000111.2L5 C127 F128 P129 E134 T135L5-I131 HydrophobicContact CD1-CD1 3.26Å; C127-I131 WeakPolarHBondContact O-CD1 3.46Å; C127-I131 WeakPolarHBondContact O-CG1 3.39Å; F128-I131 PolarHBondContact O-N 3.07Å; P129-I131 VanDerWaalsContact C-N 3.32Å; P129-I131 PolarHBondContact O-N 3.13Å; I131-E134 PolarHBondContact O-N 3.24Å; I131-T135 WeakPolarHBondContact O-CB 3.27Å; I131-T135 PolarHBondContact O-N 3.29Å; I131-T135 PolarHBondContact O-OG1 2.97Å
132Q67.8Low75.4Confident138 Ų138100 Ų10065%0.64548%0.48SS*.Hα-helixtrans-68.9-39.6178.1-166.4174.9-36.200110.7F128 P129 E130 G136F128-Q132 PolarHBondContact O-N 2.95Å; P129-Q132 PolarHBondContact O-N 3.13Å; E130-Q132 VanDerWaalsContact C-N 3.33Å; E130-Q132 PolarHBondContact O-N 2.84Å; Q132-G136 PolarHBondContact O-N 3.49Å
133E70.1Confident73.6Confident154 Ų154105.1 Ų105.172%0.7251%0.507SS*.Hα-helixtrans-63.8-45.6171.6-75.2-171.5156.600112.3P129 E130 T135 G136 A137P129-E133 PolarHBondContact O-N 2.87Å; E130-E133 PolarHBondContact O-N 3.38Å; E133-T135 VanDerWaalsContact C-N 3.34Å; E133-T135 PolarHBondContact O-N 2.92Å; E133-G136 PolarHBondContact O-N 3.05Å; E133-A137 VanDerWaalsContact O-CB 3.25Å; E133-A137 WeakPolarHBondContact O-CB 3.34Å; E133-A137 PolarHBondContact O-N 3.24Å
134E70.7Confident72.6Confident122 Ų122106.6 Ų106.657%0.5751%0.513SS*.Hα-helixtrans-63.4-40.4179.8-147.5-168.4170.300111.9E130 I131 R138E130-E134 PolarHBondContact O-N 3.18Å; I131-E134 PolarHBondContact O-N 3.24Å; E134-R138 PolarHBondContact O-N 3.29Å
135T70.6Confident71.7Confident75 Ų75112.2 Ų112.246%0.4654%0.54SS..Hα-helixtrans-68.2-44178.5-53.50000111.4I131 E133 R138 Q139I131-T135 WeakPolarHBondContact O-CB 3.27Å; I131-T135 PolarHBondContact O-N 3.29Å; I131-T135 PolarHBondContact O-OG1 2.97Å; E133-T135 VanDerWaalsContact C-N 3.34Å; E133-T135 PolarHBondContact O-N 2.92Å; T135-R138 PolarHBondContact O-N 3.29Å; T135-Q139 PolarHBondContact O-N 3.46Å
136G72.1Confident70.7Confident37 Ų37114.2 Ų114.238%0.38155%0.551SS.*Hα-helixtrans-64.3-41.7175.500000112.6Q132 E133 R138 Q139 K140Q132-G136 PolarHBondContact O-N 3.49Å; E133-G136 PolarHBondContact O-N 3.05Å; G136-R138 PolarHBondContact O-N 3.17Å; G136-Q139 PolarHBondContact O-N 2.85Å; G136-K140 PolarHBondContact O-N 3.07Å
137A72.4Confident69.8Low59 Ų59112.5 Ų112.549%0.48855%0.545SS..Hα-helixtrans-64.3-39.2176.300000112.4E133 K140 K141E133-A137 VanDerWaalsContact O-CB 3.25Å; E133-A137 WeakPolarHBondContact O-CB 3.34Å; E133-A137 PolarHBondContact O-N 3.24Å; A137-K140 PolarHBondContact O-N 3.19Å; A137-K141 PolarHBondContact O-N 3.1Å; A137-K141 VanDerWaalsContact O-N 3.08Å
138R71.9Confident69.1Low184 Ų184119.2 Ų119.269%0.69458%0.576SS**Hα-helixtrans-64.4-42173.6-91.8-174.1-179-169.91.7112.9E134 T135 G136 K140 K141 R142E134-R138 PolarHBondContact O-N 3.29Å; T135-R138 PolarHBondContact O-N 3.29Å; G136-R138 PolarHBondContact O-N 3.17Å; R138-K140 VanDerWaalsContact C-N 3.34Å; R138-K141 PolarHBondContact O-N 3.31Å; R138-R142 PolarHBondContact O-N 3.38Å
139Q69.7Low68.5Low138 Ų138126.2 Ų126.265%0.64561%0.611SS**Hα-helixtrans-63.8-41.7175.3-82.9-162.7-55.300111.6T135 G136 K141 R142 N143T135-Q139 PolarHBondContact O-N 3.46Å; G136-Q139 PolarHBondContact O-N 2.85Å; Q139-K141 VanDerWaalsContact C-N 3.28Å; Q139-K141 PolarHBondContact O-N 3.17Å; Q139-R142 PolarHBondContact O-N 3.12Å; Q139-R142 VanDerWaalsContact O-N 3.09Å; Q139-N143 PolarHBondContact O-N 3.16Å
140K68.3Low68.5Low175 Ų175130.1 Ų130.176%0.76162%0.621SS**Hα-helixtrans-63.9-30177.1-169.3176.9179.8-179.20113.4G136 A137 R138 R142G136-K140 PolarHBondContact O-N 3.07Å; A137-K140 PolarHBondContact O-N 3.19Å; R138-K140 VanDerWaalsContact C-N 3.34Å; K140-R142 VanDerWaalsContact C-N 3.33Å
141K69.3Low68.6Low194 Ų194132.8 Ų132.884%0.84364%0.635SS**Hα-helixtrans-76.5-16.9174.5-100.6-174.4177-1780114.2A137 R138 Q139A137-K141 PolarHBondContact O-N 3.1Å; A137-K141 VanDerWaalsContact O-N 3.08Å; R138-K141 PolarHBondContact O-N 3.31Å; Q139-K141 VanDerWaalsContact C-N 3.28Å; Q139-K141 PolarHBondContact O-N 3.17Å
142R66.6Low68.8Low228 Ų228141.6 Ų141.686%0.8668%0.676SS**Hα-helixtrans-98.9-12.8-175.7-163.5173178.3-178.5-1.1112.7R138 Q139 K140R138-R142 PolarHBondContact O-N 3.38Å; Q139-R142 PolarHBondContact O-N 3.12Å; Q139-R142 VanDerWaalsContact O-N 3.09Å; K140-R142 VanDerWaalsContact C-N 3.33Å
143N56.4Low68.9Low195 Ų195141.9 Ų141.9100%1.04368%0.679SS**  trans-99.40169.5-68.80.7000110Q139Q139-N143 PolarHBondContact O-N 3.16Å

Retrieved 143 of 143 residues in 306 ms (Link to these results)

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