A0A087XYS4_POEFO Loading...

Microtubule-associated protein RP/EB family member 1

AlphaFold DB , UniProt , Accession A0A087XYS4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 258 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
1M86.6Confident75.4Confident178 Ų17888 Ų8888%0.87752%0.521SS*.  0141.80-69.9-66.5-88.300107M85M1-M85 CarbonylContact C-O 3.59Å; M1-M85 WeakPolarHBondContact CA-O 3.27Å
2A94.2Very high74Confident11 Ų1188.3 Ų88.39%0.09153%0.531CS..PPolyproline II helixtrans-77.3151.6178.100000111.1F52 M85 V87 F114 N118A2-F52 HydrophobicContact CB-CE1 4.45Å; A2-F52 HydrophobicContact CB-CE2 3.79Å; A2-F52 HydrophobicContact CB-CZ 3.53Å; A2-M85 HydrophobicContact CB-CB 4.15Å; A2-M85 PolarHBondContact N-O 2.97Å; A2-V87 HydrophobicContact CB-CG2 3.78Å; A2-F114 HydrophobicContact CB-CE2 3.88Å; A2-F114 HydrophobicContact CB-CZ 3.92Å; A2-N118 WeakPolarHBondContact CA-OD1 3.42Å
3V94.8Very high74.3Confident85 Ų8593.6 Ų93.652%0.51556%0.555SS.*PPolyproline II helixtrans-78.7118.2167.3-178.80000108F114 A117 N118V3-F114 WeakPolarHBondContact O-CE2 3.22Å; V3-A117 HydrophobicContact CG1-CB 4.45Å; V3-N118 PolarHBondContact N-OD1 3.48Å; V3-N118 PolarHBondContact O-ND2 2.99Å
4N93.5Very high75Confident43 Ų4394.7 Ų94.723%0.2356%0.557CS.*PPolyproline II helixtrans-79.5146.8176.7-73-62.2000110.9Y6 G86 V87 D88N4-Y6 HydrophobicContact CB-CE2 4.23Å; N4-G86 PolarHBondContact ND2-O 3.47Å; N4-G86 VanDerWaalsContact ND2-O 3.1Å; N4-V87 VanDerWaalsContact OD1-CA 3.27Å; N4-V87 WeakPolarHBondContact OD1-CA 3.41Å; N4-D88 PolarHBondContact OD1-N 3.4Å; N4-D88 VanDerWaalsContact OD1-N 3.16Å; N4-D88 PolarHBondContact OD1-OD1 3.13Å; N4-D88 VanDerWaalsContact OD1-OD1 3.11Å
5V90.8Very high76.1Confident21 Ų2191.5 Ų91.513%0.12754%0.536CS..  trans-124.6131.4178.8-175.30000109.1W110 K113 A117V5-W110 PolarHBondContact O-NE1 3.39Å; V5-K113 HydrophobicContact CG1-CB 4.02Å; V5-A117 HydrophobicContact CG2-CB 3.61Å
6Y82.7Confident77.3Confident133 Ų13389.1 Ų89.152%0.52253%0.526SS..  trans-113145.8177.8-53.3-78.9000109.8N4 T8 D88N4-Y6 HydrophobicContact CB-CE2 4.23Å; Y6-T8 PolarHBondContact O-N 3.16Å; Y6-D88 VanDerWaalsContact CE1-OD2 3.3Å; Y6-D88 WeakPolarHBondContact CE1-OD2 3.38Å; Y6-D88 VanDerWaalsContact CZ-OD2 3.3Å; Y6-D88 PolarHBondContact OH-OD2 3.04Å
7A65.6Low78.3Confident100 Ų10091.1 Ų91.183%0.82652%0.522SS*.  trans-65.5101.9171.500000108.2
8T58Low79.2Confident82 Ų8293.1 Ų93.150%0.50353%0.526SS..  trans-121.7147.6165.958.20000106.8Y6 V10 T11Y6-T8 PolarHBondContact O-N 3.16Å; T8-V10 PolarHBondContact O-N 3.37Å; T8-T11 PolarHBondContact O-N 3.39Å; T8-T11 VanDerWaalsContact O-N 3.15Å; T8-T11 PolarHBondContact O-OG1 3.01Å; T8-T11 VanDerWaalsContact O-OG1 3.07Å
9S54.6Low80.1Confident137 Ų13792.5 Ų92.596%0.95852%0.521SS*.THydrogen-bonded Turntrans-60.51.5-174.1-39.90000114.9
10V53.9Low81Confident135 Ų13587.9 Ų87.982%0.81850%0.495SS*.THydrogen-bonded Turntrans-117.55.7-173.7-166.30000112.2T8T8-V10 PolarHBondContact O-N 3.37Å
11T54.5Low81.8Confident43 Ų4384.4 Ų84.426%0.26448%0.476SS..SBendtrans-85.3138.6174.954.80000110.3T8 K113T8-T11 PolarHBondContact O-N 3.39Å; T8-T11 VanDerWaalsContact O-N 3.15Å; T8-T11 PolarHBondContact O-OG1 3.01Å; T8-T11 VanDerWaalsContact O-OG1 3.07Å; T11-K113 PolarHBondContact O-NZ 3.28Å; T11-K113 PolarHBondContact OG1-NZ 2.97Å
12S59Low82.3Confident92 Ų9278.3 Ų78.364%0.64345%0.448SS*.  trans-27.5144.7-177.1-45.10000115.8N14 K113S12-N14 PolarHBondContact O-N 2.89Å; S12-K113 WeakPolarHBondContact O-CE 3.37Å; S12-K113 PolarHBondContact O-NZ 2.72Å
13D77.3Confident82.5Confident157 Ų15779.3 Ų79.384%0.8445%0.449SS*.  trans-45.4132.1-179.9-64.2-39.8000111.8
14N84.8Confident82.7Confident109 Ų10975.2 Ų75.258%0.58343%0.425SS*.PPolyproline II helixtrans-65.3135.5178-68.9-31.2000109.3S12 K113S12-N14 PolarHBondContact O-N 2.89Å; N14-K113 WeakPolarHBondContact OD1-CE 3.4Å; N14-K113 PolarHBondContact OD1-NZ 3.49Å
15L91.8Very high82.8Confident46 Ų4674.7 Ų74.724%0.24142%0.422CS..PPolyproline II helixtrans-70.4148.3178.8-77.677.7000110.3D19 M20 Q109 K112L15-D19 HydrophobicContact CB-CB 4.31Å; L15-D19 HydrophobicContact CD2-CB 4.11Å; L15-D19 HydrophobicContact CG-CB 4.46Å; L15-M20 HydrophobicContact CB-CB 4.46Å; L15-M20 HydrophobicContact CB-CE 3.99Å; L15-Q109 PolarHBondContact O-NE2 3.19Å; L15-K112 HydrophobicContact CD1-CG 3.87Å
16S94.2Very high83.1Confident54 Ų5480.7 Ų80.738%0.37845%0.448SS..PPolyproline II helixtrans-64.4162.2167.679.70000110.6H18 D19 M20S16-H18 PolarHBondContact O-N 3.45Å; S16-H18 PolarHBondContact OG-N 2.94Å; S16-D19 WeakPolarHBondContact CB-OD2 3.25Å; S16-D19 PolarHBondContact O-N 3.47Å; S16-D19 PolarHBondContact OG-N 3.06Å; S16-D19 VanDerWaalsContact OG-N 3.14Å; S16-D19 PolarHBondContact OG-OD2 2.8Å; S16-M20 WeakPolarHBondContact O-CB 2.89Å; S16-M20 PolarHBondContact O-N 3.26Å
17R94.1Very high83.8Confident122 Ų12276 Ų7646%0.4644%0.435SS..Hα-helixtrans-52.2-42.7171.9170-179.956.8117.1-10.5111.8L21 I35 F101 F105 E193R17-L21 PolarHBondContact O-N 3.2Å; R17-I35 HydrophobicContact CG-CG1 3.98Å; R17-F101 HydrophobicContact CG-CE2 4.29Å; R17-F105 HydrophobicContact CB-CE2 4.35Å; R17-F105 HydrophobicContact CB-CZ 4.43Å; R17-E193 IonicContact NH2-OE1 2.64Å
18H95.4Very high85.3Confident127 Ų12771.2 Ų71.259%0.58840%0.396SS*.Hα-helixtrans-66-52.1-178.1-178.373.7000111S16 M20 L21 V22S16-H18 PolarHBondContact O-N 3.45Å; S16-H18 PolarHBondContact OG-N 2.94Å; H18-M20 VanDerWaalsContact C-N 3.26Å; H18-M20 PolarHBondContact O-N 2.84Å; H18-L21 PolarHBondContact O-N 3.34Å; H18-L21 VanDerWaalsContact O-N 3.1Å; H18-V22 WeakPolarHBondContact O-CG2 3.43Å; H18-V22 PolarHBondContact O-N 3.2Å
19D96.9Very high87Confident82 Ų8273 Ų7344%0.43940%0.398SS..Hα-helixtrans-64.4-34-177.9-55.6-40.5000111.8L15 S16 V22 W23L15-D19 HydrophobicContact CB-CB 4.31Å; L15-D19 HydrophobicContact CD2-CB 4.11Å; L15-D19 HydrophobicContact CG-CB 4.46Å; S16-D19 WeakPolarHBondContact CB-OD2 3.25Å; S16-D19 PolarHBondContact O-N 3.47Å; S16-D19 PolarHBondContact OG-N 3.06Å; S16-D19 VanDerWaalsContact OG-N 3.14Å; S16-D19 PolarHBondContact OG-OD2 2.8Å; D19-V22 PolarHBondContact O-N 3.48Å; D19-W23 WeakPolarHBondContact O-CB 3.37Å; D19-W23 PolarHBondContact O-N 3.06Å
20M97.7Very high88.8Confident0 Ų067 Ų670%036%0.356CS..Hα-helixtrans-61.4-45.2174.2-171.56574.700111.5L15 S16 H18 W23 I24 I35 F105 V108 Q109 K112L15-M20 HydrophobicContact CB-CB 4.46Å; L15-M20 HydrophobicContact CB-CE 3.99Å; S16-M20 WeakPolarHBondContact O-CB 2.89Å; S16-M20 PolarHBondContact O-N 3.26Å; H18-M20 VanDerWaalsContact C-N 3.26Å; H18-M20 PolarHBondContact O-N 2.84Å; M20-W23 HydrophobicContact SD-CE3 3.52Å; M20-W23 VanDerWaalsContact SD-CE3 3.52Å; M20-W23 HydrophobicContact SD-CZ3 3.71Å; M20-I24 HydrophobicContact CG-CD1 4.22Å; M20-I24 VanDerWaalsContact O-CG1 3.26Å; M20-I24 WeakPolarHBondContact O-CG1 2.98Å; M20-I24 PolarHBondContact O-N 3.49Å; M20-I24 VanDerWaalsContact O-N 3.13Å; M20-I35 HydrophobicContact CB-CD1 4.14Å; M20-I35 HydrophobicContact CG-CD1 3.88Å; M20-F105 HydrophobicContact CB-CE2 4.42Å; M20-V108 HydrophobicContact CE-CG1 4.11Å; M20-V108 HydrophobicContact CE-CG2 4.44Å; M20-V108 HydrophobicContact CG-CG1 3.87Å; M20-V108 HydrophobicContact CG-CG2 4.02Å; M20-V108 HydrophobicContact SD-CG1 4.16Å; M20-V108 HydrophobicContact SD-CG2 3.69Å; M20-Q109 HydrophobicContact CE-CG 4.2Å; M20-Q109 VanDerWaalsContact CE-OE1 3.27Å; M20-K112 HydrophobicContact CE-CB 4Å; M20-K112 HydrophobicContact CE-CG 4.44Å; M20-K112 HydrophobicContact SD-CB 4.2Å
21L97.4Very high90.7Very high16 Ų1666.9 Ų66.98%0.08435%0.35CS..Hα-helixtrans-67-42.2177.5-73.2172.2000111.8R17 H18 I24 N25 L32 T33 I35R17-L21 PolarHBondContact O-N 3.2Å; H18-L21 PolarHBondContact O-N 3.34Å; H18-L21 VanDerWaalsContact O-N 3.1Å; L21-I24 PolarHBondContact O-N 3.29Å; L21-N25 VanDerWaalsContact O-CB 3.27Å; L21-N25 WeakPolarHBondContact O-CB 3.22Å; L21-N25 PolarHBondContact O-N 3.17Å; L21-N25 PolarHBondContact O-ND2 3.02Å; L21-L32 HydrophobicContact CD2-CB 3.91Å; L21-T33 WeakPolarHBondContact CD1-O 3.37Å; L21-I35 HydrophobicContact CD2-CD1 3.88Å; L21-I35 HydrophobicContact CD2-CG1 4.41Å; L21-I35 HydrophobicContact CG-CD1 3.89Å; L21-I35 HydrophobicContact CG-CG1 4.38Å
22V97.8Very high92.5Very high49 Ų4965.8 Ų65.830%0.29734%0.343SS..Hα-helixtrans-57.2-51.4175.4171.80000110H18 D19 I24 N25 E26H18-V22 WeakPolarHBondContact O-CG2 3.43Å; H18-V22 PolarHBondContact O-N 3.2Å; D19-V22 PolarHBondContact O-N 3.48Å; V22-I24 VanDerWaalsContact C-N 3.34Å; V22-I24 PolarHBondContact O-N 2.94Å; V22-N25 PolarHBondContact O-N 2.74Å; V22-E26 HydrophobicContact CG1-CG 4.25Å; V22-E26 WeakPolarHBondContact O-CB 3.42Å; V22-E26 WeakPolarHBondContact O-CG 2.69Å; V22-E26 PolarHBondContact O-N 2.77Å
23W97.9Very high94.2Very high32 Ų3265.4 Ų65.412%0.12134%0.337CS..Hα-helixtrans-54.6-47.7178.2165.260.6000112.5D19 M20 S27 F47 V108 F111 K112 F115D19-W23 WeakPolarHBondContact O-CB 3.37Å; D19-W23 PolarHBondContact O-N 3.06Å; M20-W23 HydrophobicContact SD-CE3 3.52Å; M20-W23 VanDerWaalsContact SD-CE3 3.52Å; M20-W23 HydrophobicContact SD-CZ3 3.71Å; W23-S27 PolarHBondContact NE1-OG 3.38Å; W23-S27 WeakPolarHBondContact O-CB 3.4Å; W23-S27 PolarHBondContact O-N 2.94Å; W23-S27 PolarHBondContact O-OG 3.02Å; W23-F47 HydrophobicContact CH2-CD2 4.4Å; W23-F47 HydrophobicContact CH2-CE1 4.34Å; W23-F47 AromaticContact CH2-CE2 3.78Å; W23-F47 HydrophobicContact CH2-CE2 3.78Å; W23-F47 AromaticContact CH2-CZ 3.74Å; W23-F47 HydrophobicContact CH2-CZ 3.74Å; W23-F47 AromaticContact CZ2-CE1 3.86Å; W23-F47 HydrophobicContact CZ2-CE1 3.86Å; W23-F47 HydrophobicContact CZ2-CE2 4.12Å; W23-F47 AromaticContact CZ2-CZ 3.6Å; W23-F47 HydrophobicContact CZ2-CZ 3.6Å; W23-F47 HydrophobicContact CZ3-CE2 4.23Å; W23-F47 HydrophobicContact CZ3-CZ 4.29Å; W23-V108 HydrophobicContact CZ3-CG2 4.38Å; W23-F111 HydrophobicContact CH2-CD1 4.48Å; W23-K112 HydrophobicContact CD2-CD 3.58Å; W23-K112 VanDerWaalsContact CE2-CD 3.45Å; W23-K112 HydrophobicContact CE3-CD 3.67Å; W23-K112 HydrophobicContact CE3-CG 4.42Å; W23-K112 HydrophobicContact CG-CD 4.34Å; W23-K112 HydrophobicContact CH2-CB 4.19Å; W23-K112 HydrophobicContact CH2-CD 3.59Å; W23-K112 HydrophobicContact CH2-CG 4.48Å; W23-K112 HydrophobicContact CZ2-CD 3.48Å; W23-K112 VanDerWaalsContact CZ2-CD 3.48Å; W23-K112 HydrophobicContact CZ3-CB 4Å; W23-K112 HydrophobicContact CZ3-CD 3.68Å; W23-K112 HydrophobicContact CZ3-CG 4.31Å; W23-F115 HydrophobicContact CH2-CB 4.42Å; W23-F115 HydrophobicContact CH2-CG 4.49Å; W23-F115 HydrophobicContact CZ2-CB 4.18Å; W23-F115 AromaticContact CZ2-CD1 3.87Å; W23-F115 HydrophobicContact CZ2-CD1 3.87Å; W23-F115 HydrophobicContact CZ2-CD2 4.28Å; W23-F115 HydrophobicContact CZ2-CE1 4.37Å; W23-F115 AromaticContact CZ2-CG 3.84Å; W23-F115 HydrophobicContact CZ2-CG 3.84Å
24I98.1Very high95Very high0 Ų061.6 Ų61.60%031%0.313CS..Hα-helixtrans-66.1-45.4-178.6-63.9169.8000111M20 L21 V22 S27 L28 L32 L38 V43 F47 V108M20-I24 HydrophobicContact CG-CD1 4.22Å; M20-I24 VanDerWaalsContact O-CG1 3.26Å; M20-I24 WeakPolarHBondContact O-CG1 2.98Å; M20-I24 PolarHBondContact O-N 3.49Å; M20-I24 VanDerWaalsContact O-N 3.13Å; L21-I24 PolarHBondContact O-N 3.29Å; V22-I24 VanDerWaalsContact C-N 3.34Å; V22-I24 PolarHBondContact O-N 2.94Å; I24-S27 PolarHBondContact O-N 3.31Å; I24-L28 PolarHBondContact O-N 3.11Å; I24-L32 HydrophobicContact CB-CD1 4.45Å; I24-L32 HydrophobicContact CG2-CD1 3.57Å; I24-L38 HydrophobicContact CD1-CD1 3.86Å; I24-L38 HydrophobicContact CD1-CD2 3.86Å; I24-L38 HydrophobicContact CD1-CG 4.46Å; I24-V43 HydrophobicContact CG2-CG1 3.76Å; I24-V43 HydrophobicContact CG2-CG2 4.43Å; I24-F47 HydrophobicContact CG1-CE2 4.11Å; I24-F47 HydrophobicContact CG1-CZ 4.3Å; I24-F47 HydrophobicContact CG2-CE2 4.24Å; I24-F47 HydrophobicContact CG2-CZ 4.45Å; I24-V108 HydrophobicContact CD1-CG2 3.92Å
25N96.9Very high95.6Very high32 Ų3256.4 Ų56.417%0.17129%0.285CS..Hα-helixtrans-65.5-42-177.3-74.9-20.4000111.9L21 V22 Q29 M30 L32L21-N25 VanDerWaalsContact O-CB 3.27Å; L21-N25 WeakPolarHBondContact O-CB 3.22Å; L21-N25 PolarHBondContact O-N 3.17Å; L21-N25 PolarHBondContact O-ND2 3.02Å; V22-N25 PolarHBondContact O-N 2.74Å; N25-Q29 WeakPolarHBondContact O-CA 3.16Å; N25-Q29 PolarHBondContact O-N 3.21Å; N25-M30 WeakPolarHBondContact CA-O 3.44Å; N25-M30 WeakPolarHBondContact CB-O 3.47Å; N25-M30 PolarHBondContact O-N 2.98Å; N25-M30 VanDerWaalsContact O-N 3.09Å; N25-M30 VanDerWaalsContact OD1-C 3.28Å; N25-M30 PolarHBondContact OD1-O 2.93Å; N25-M30 VanDerWaalsContact OD1-O 3.11Å; N25-L32 PolarHBondContact ND2-N 2.88Å; N25-L32 PolarHBondContact ND2-O 3.17Å; N25-L32 WeakPolarHBondContact OD1-CB 3.28Å; N25-L32 PolarHBondContact OD1-N 2.78Å
26E96.8Very high95.9Very high146 Ų14656.6 Ų56.668%0.68228%0.284SS*.Hα-helixtrans-68.5-44.3176-69.7-179.1168.600111.6V22 L28V22-E26 HydrophobicContact CG1-CG 4.25Å; V22-E26 WeakPolarHBondContact O-CB 3.42Å; V22-E26 WeakPolarHBondContact O-CG 2.69Å; V22-E26 PolarHBondContact O-N 2.77Å; E26-L28 PolarHBondContact O-N 2.86Å
27S96.8Very high96Very high35 Ų3556.6 Ų56.625%0.24528%0.279CS..Hα-helixtrans-67.2-37.6-177-590000113.1W23 I24 M50W23-S27 PolarHBondContact NE1-OG 3.38Å; W23-S27 WeakPolarHBondContact O-CB 3.4Å; W23-S27 PolarHBondContact O-N 2.94Å; W23-S27 PolarHBondContact O-OG 3.02Å; I24-S27 PolarHBondContact O-N 3.31Å; S27-M50 WeakPolarHBondContact O-CE 3.27Å
28L96.4Very high96.2Very high0 Ų050.8 Ų50.80%026%0.257CS..Hα-helixtrans-109.92.6-174.8-61.5-175.8000113.7I24 E26 M30 V43 Q46 F47 M50 Y124 P126 R130I24-L28 PolarHBondContact O-N 3.11Å; E26-L28 PolarHBondContact O-N 2.86Å; L28-M30 HydrophobicContact CB-CG 4.03Å; L28-M30 HydrophobicContact CB-SD 4.09Å; L28-M30 HydrophobicContact CD1-SD 4.26Å; L28-M30 PolarHBondContact O-N 3.49Å; L28-V43 HydrophobicContact CD1-CB 4.37Å; L28-V43 HydrophobicContact CD1-CG1 3.82Å; L28-Q46 HydrophobicContact CD1-CB 4.25Å; L28-Q46 HydrophobicContact CD2-CB 4.39Å; L28-Q46 HydrophobicContact CD2-CG 3.89Å; L28-F47 HydrophobicContact CD1-CD1 4.3Å; L28-F47 HydrophobicContact CD1-CD2 3.96Å; L28-F47 HydrophobicContact CD1-CE1 4.12Å; L28-F47 HydrophobicContact CD1-CE2 3.76Å; L28-F47 HydrophobicContact CD1-CG 4.22Å; L28-F47 HydrophobicContact CD1-CZ 3.85Å; L28-F47 HydrophobicContact CD2-CD1 4Å; L28-F47 HydrophobicContact CD2-CE1 3.93Å; L28-F47 HydrophobicContact CD2-CZ 4.44Å; L28-F47 HydrophobicContact CG-CD1 4.25Å; L28-F47 HydrophobicContact CG-CE1 3.81Å; L28-F47 HydrophobicContact CG-CE2 4.27Å; L28-F47 HydrophobicContact CG-CZ 3.82Å; L28-M50 HydrophobicContact CD2-CE 3.58Å; L28-Y124 HydrophobicContact CD2-CE1 4.34Å; L28-P126 VanDerWaalsContact C-CG 3.5Å; L28-P126 HydrophobicContact CB-CB 4.41Å; L28-P126 HydrophobicContact CD2-CB 4.2Å; L28-P126 WeakPolarHBondContact O-CB 3.13Å; L28-P126 WeakPolarHBondContact O-CG 3.26Å; L28-R130 VanDerWaalsContact O-CZ 3.31Å; L28-R130 PolarHBondContact O-NH1 2.85Å; L28-R130 PolarHBondContact O-NH2 2.85Å
29Q94.8Very high96.3Very high119 Ų11945.3 Ų45.356%0.55623%0.233SC*.THydrogen-bonded Turntrans49.358.5-173.8-62.5-177.1-22.300110.7N25 P126 V127 R130N25-Q29 WeakPolarHBondContact O-CA 3.16Å; N25-Q29 PolarHBondContact O-N 3.21Å; Q29-P126 HydrophobicContact CB-CG 4.08Å; Q29-P126 HydrophobicContact CG-CG 3.91Å; Q29-V127 HydrophobicContact CB-CG2 4.02Å; Q29-R130 PolarHBondContact O-NH2 3.42Å
30M92.9Very high96.4Very high12 Ų1241.9 Ų41.96%0.05922%0.215CC..  trans-121.1168.4179.4-74.1-175.215300110.2N25 L28 L32 V43 F63 T135N25-M30 WeakPolarHBondContact CA-O 3.44Å; N25-M30 WeakPolarHBondContact CB-O 3.47Å; N25-M30 PolarHBondContact O-N 2.98Å; N25-M30 VanDerWaalsContact O-N 3.09Å; N25-M30 VanDerWaalsContact OD1-C 3.28Å; N25-M30 PolarHBondContact OD1-O 2.93Å; N25-M30 VanDerWaalsContact OD1-O 3.11Å; L28-M30 HydrophobicContact CB-CG 4.03Å; L28-M30 HydrophobicContact CB-SD 4.09Å; L28-M30 HydrophobicContact CD1-SD 4.26Å; L28-M30 PolarHBondContact O-N 3.49Å; M30-L32 HydrophobicContact CB-CG 4.43Å; M30-V43 HydrophobicContact CE-CG2 4.37Å; M30-V43 HydrophobicContact SD-CG2 3.69Å; M30-F63 HydrophobicContact CE-CD1 4.04Å; M30-F63 HydrophobicContact CE-CE1 4.36Å; M30-T135 HydrophobicContact CE-CG2 3.5Å; M30-T135 VanDerWaalsContact CE-CG2 3.5Å; M30-T135 HydrophobicContact CG-CG2 4.38Å
31N92.1Very high96.4Very high132 Ų13241.9 Ų41.971%0.70622%0.215SC*.  trans-126.655.6179.5-67.8-47000110.8
32L93.5Very high96.4Very high20 Ų2041.2 Ų41.211%0.10521%0.212CC..  trans-72.4131.3174.3-54.9-179.3000109.8L21 I24 N25 M30 M37 L38 V43L21-L32 HydrophobicContact CD2-CB 3.91Å; I24-L32 HydrophobicContact CB-CD1 4.45Å; I24-L32 HydrophobicContact CG2-CD1 3.57Å; N25-L32 PolarHBondContact ND2-N 2.88Å; N25-L32 PolarHBondContact ND2-O 3.17Å; N25-L32 WeakPolarHBondContact OD1-CB 3.28Å; N25-L32 PolarHBondContact OD1-N 2.78Å; M30-L32 HydrophobicContact CB-CG 4.43Å; L32-M37 HydrophobicContact CD2-CB 3.99Å; L32-M37 HydrophobicContact CD2-SD 4.32Å; L32-L38 HydrophobicContact CD1-CD2 3.65Å; L32-V43 HydrophobicContact CD1-CG2 3.99Å
33T94.8Very high96.5Very high84 Ų8439 Ų3952%0.51520%0.198SC..  trans-107.1-17.6177.955.30000112.8L21L21-T33 WeakPolarHBondContact CD1-O 3.37Å
34K94.2Very high96.5Very high77 Ų7737.5 Ų37.534%0.33519%0.193SC..  trans-137.6141.9-175.7-63-174.1-179.3-171.80110.1E36 M37 E189K34-E36 WeakPolarHBondContact CB-OE2 3.43Å; K34-E36 PolarHBondContact O-N 3.28Å; K34-M37 HydrophobicContact CB-CG 4.15Å; K34-M37 WeakPolarHBondContact O-CB 3.09Å; K34-M37 WeakPolarHBondContact O-CG 3.44Å; K34-M37 PolarHBondContact O-N 3.41Å; K34-E189 VanDerWaalsContact CE-OE1 3.27Å; K34-E189 WeakPolarHBondContact CE-OE1 3.11Å; K34-E189 IonicContact NZ-OE1 2.82Å; K34-E189 PolarHBondContact NZ-OE1 3.43Å
35I97.8Very high96.5Very high0 Ų037.5 Ų37.50%019%0.193CC..G310 helixtrans-64.5-32.4179.8-70.8-67.5000110.8R17 M20 L21 M37 L38 F101 N104 F105 V108R17-I35 HydrophobicContact CG-CG1 3.98Å; M20-I35 HydrophobicContact CB-CD1 4.14Å; M20-I35 HydrophobicContact CG-CD1 3.88Å; L21-I35 HydrophobicContact CD2-CD1 3.88Å; L21-I35 HydrophobicContact CD2-CG1 4.41Å; L21-I35 HydrophobicContact CG-CD1 3.89Å; L21-I35 HydrophobicContact CG-CG1 4.38Å; I35-M37 PolarHBondContact O-N 2.99Å; I35-M37 VanDerWaalsContact O-N 3.11Å; I35-L38 HydrophobicContact CD1-CD1 4.48Å; I35-L38 HydrophobicContact CG2-CD1 4.31Å; I35-L38 WeakPolarHBondContact O-CB 3.45Å; I35-L38 WeakPolarHBondContact O-CG 3.29Å; I35-L38 PolarHBondContact O-N 2.87Å; I35-F101 HydrophobicContact CB-CD2 4.02Å; I35-F101 HydrophobicContact CB-CE2 3.91Å; I35-F101 HydrophobicContact CG1-CE2 3.96Å; I35-F101 HydrophobicContact CG2-CD2 4.37Å; I35-F101 HydrophobicContact CG2-CE2 4.35Å; I35-N104 HydrophobicContact CG2-CB 3.99Å; I35-F105 HydrophobicContact CD1-CD2 4.08Å; I35-F105 HydrophobicContact CD1-CE2 4.35Å; I35-F105 HydrophobicContact CG1-CD2 4Å; I35-F105 HydrophobicContact CG1-CE2 4.47Å; I35-F105 HydrophobicContact CG2-CB 3.99Å; I35-F105 HydrophobicContact CG2-CD2 4.04Å; I35-F105 HydrophobicContact CG2-CG 4.49Å; I35-V108 HydrophobicContact CG2-CG1 4.49Å
36E96.9Very high96.6Very high50 Ų5036 Ų3623%0.23419%0.185CC..G310 helixtrans-56.8-26176.9-62.491.214400112.2K34 L38 C39 G99 F101K34-E36 WeakPolarHBondContact CB-OE2 3.43Å; K34-E36 PolarHBondContact O-N 3.28Å; E36-L38 PolarHBondContact O-N 3.1Å; E36-C39 WeakPolarHBondContact O-CB 3.36Å; E36-C39 PolarHBondContact O-N 3.08Å; E36-C39 PolarHBondContact O-SG 3.27Å; E36-G99 WeakPolarHBondContact CB-O 3.21Å; E36-G99 WeakPolarHBondContact CG-O 3.41Å; E36-F101 HydrophobicContact CG-CB 4.17Å
37M97Very high96.6Very high53 Ų5329.1 Ų29.126%0.26115%0.152SC..G310 helixtrans-66-16.9176.7-59.5-176.782.100112.8L32 K34 I35 C39 T40 M136L32-M37 HydrophobicContact CD2-CB 3.99Å; L32-M37 HydrophobicContact CD2-SD 4.32Å; K34-M37 HydrophobicContact CB-CG 4.15Å; K34-M37 WeakPolarHBondContact O-CB 3.09Å; K34-M37 WeakPolarHBondContact O-CG 3.44Å; K34-M37 PolarHBondContact O-N 3.41Å; I35-M37 PolarHBondContact O-N 2.99Å; I35-M37 VanDerWaalsContact O-N 3.11Å; M37-C39 PolarHBondContact O-N 3.45Å; M37-T40 WeakPolarHBondContact O-CG2 3.44Å; M37-T40 PolarHBondContact O-N 2.69Å; M37-T40 PolarHBondContact O-OG1 3.25Å; M37-M136 HydrophobicContact CE-CB 4.37Å
38L98.2Very high96.7Very high0 Ų027.4 Ų27.40%014%0.141CC..G310 helixtrans-67.2-14.5172-59.2176.3000112.7I24 L32 I35 E36 T40 G41 V43 Y44 V108I24-L38 HydrophobicContact CD1-CD1 3.86Å; I24-L38 HydrophobicContact CD1-CD2 3.86Å; I24-L38 HydrophobicContact CD1-CG 4.46Å; L32-L38 HydrophobicContact CD1-CD2 3.65Å; I35-L38 HydrophobicContact CD1-CD1 4.48Å; I35-L38 HydrophobicContact CG2-CD1 4.31Å; I35-L38 WeakPolarHBondContact O-CB 3.45Å; I35-L38 WeakPolarHBondContact O-CG 3.29Å; I35-L38 PolarHBondContact O-N 2.87Å; E36-L38 PolarHBondContact O-N 3.1Å; L38-T40 PolarHBondContact O-N 2.87Å; L38-G41 PolarHBondContact O-N 2.98Å; L38-V43 HydrophobicContact CD2-CB 3.81Å; L38-V43 HydrophobicContact CD2-CG1 3.69Å; L38-V43 HydrophobicContact CD2-CG2 3.81Å; L38-Y44 HydrophobicContact CB-CE2 4.03Å; L38-Y44 WeakPolarHBondContact CD1-OH 3.19Å; L38-V108 HydrophobicContact CD1-CB 3.74Å; L38-V108 HydrophobicContact CD1-CG1 4.08Å; L38-V108 HydrophobicContact CD1-CG2 3.58Å
39C98.2Very high96.7Very high12 Ų1227.8 Ų27.88%0.08114%0.143CC..G310 helixtrans-57.1-1917571.80000113.7E36 M37 G41 Y71 F75 L96 N104E36-C39 WeakPolarHBondContact O-CB 3.36Å; E36-C39 PolarHBondContact O-N 3.08Å; E36-C39 PolarHBondContact O-SG 3.27Å; M37-C39 PolarHBondContact O-N 3.45Å; C39-G41 PolarHBondContact O-N 3.46Å; C39-Y71 WeakPolarHBondContact O-CB 3.49Å; C39-F75 WeakPolarHBondContact O-CE2 3.41Å; C39-L96 WeakPolarHBondContact CB-O 3.31Å; C39-N104 PolarHBondContact N-OD1 2.91Å
40T98Very high96.9Very high10 Ų1022.4 Ų22.46%0.06112%0.118CC..G310 helixtrans-67.9-19.8177.462.50000113.1M37 L38 A42 Y71 N74M37-T40 WeakPolarHBondContact O-CG2 3.44Å; M37-T40 PolarHBondContact O-N 2.69Å; M37-T40 PolarHBondContact O-OG1 3.25Å; L38-T40 PolarHBondContact O-N 2.87Å; T40-A42 PolarHBondContact O-N 3.37Å; T40-A42 VanDerWaalsContact O-N 3.12Å; T40-Y71 HydrophobicContact CG2-CD1 4.1Å; T40-Y71 HydrophobicContact CG2-CE1 3.71Å; T40-N74 VanDerWaalsContact O-CB 3.24Å; T40-N74 WeakPolarHBondContact O-CB 3.44Å; T40-N74 PolarHBondContact O-ND2 2.79Å
41G98.1Very high97.1Very high0 Ų022 Ų220%012%0.115CC..SBendtrans72.9-9-17700000115.3L38 C39 C45L38-G41 PolarHBondContact O-N 2.98Å; C39-G41 PolarHBondContact O-N 3.46Å; G41-C45 PolarHBondContact O-N 3.44Å; G41-C45 PolarHBondContact O-SG 3.09Å
42A97.8Very high97.3Very high2 Ų217.2 Ų17.22%0.0179%0.089CC..Hα-helixtrans-68.8-40.4-174.100000112.6T40 Y44 C45 Q46 V61 F63T40-A42 PolarHBondContact O-N 3.37Å; T40-A42 VanDerWaalsContact O-N 3.12Å; A42-Y44 PolarHBondContact O-N 2.96Å; A42-C45 WeakPolarHBondContact O-CB 3.43Å; A42-C45 PolarHBondContact O-N 2.9Å; A42-Q46 PolarHBondContact O-N 2.94Å; A42-V61 HydrophobicContact CB-CG1 3.95Å; A42-F63 HydrophobicContact CB-CD1 3.97Å; A42-F63 HydrophobicContact CB-CE1 4.34Å
43V98.3Very high97.4Very high3 Ų320.7 Ų20.72%0.01811%0.112CC..Hα-helixtrans-57.1-50.5176.7167.70000111.1I24 L28 M30 L32 L38 C45 Q46 F47I24-V43 HydrophobicContact CG2-CG1 3.76Å; I24-V43 HydrophobicContact CG2-CG2 4.43Å; L28-V43 HydrophobicContact CD1-CB 4.37Å; L28-V43 HydrophobicContact CD1-CG1 3.82Å; M30-V43 HydrophobicContact CE-CG2 4.37Å; M30-V43 HydrophobicContact SD-CG2 3.69Å; L32-V43 HydrophobicContact CD1-CG2 3.99Å; L38-V43 HydrophobicContact CD2-CB 3.81Å; L38-V43 HydrophobicContact CD2-CG1 3.69Å; L38-V43 HydrophobicContact CD2-CG2 3.81Å; V43-C45 VanDerWaalsContact C-N 3.33Å; V43-C45 PolarHBondContact O-N 3.32Å; V43-Q46 PolarHBondContact O-N 3.16Å; V43-Q46 VanDerWaalsContact O-N 3.13Å; V43-F47 HydrophobicContact CG1-CD2 3.66Å; V43-F47 HydrophobicContact CG1-CE2 3.54Å; V43-F47 WeakPolarHBondContact O-CD2 3.43Å; V43-F47 PolarHBondContact O-N 3.45Å
44Y98.7Very high97.3Very high1 Ų118.8 Ų18.80%0.00411%0.109CC..Hα-helixtrans-63.7-38.2179.5-57.7-58.5000112.5L38 A42 Q46 F47 M48 F75 L78 F107 V108 F111L38-Y44 HydrophobicContact CB-CE2 4.03Å; L38-Y44 WeakPolarHBondContact CD1-OH 3.19Å; A42-Y44 PolarHBondContact O-N 2.96Å; Y44-Q46 VanDerWaalsContact C-N 3.3Å; Y44-Q46 PolarHBondContact O-N 2.94Å; Y44-F47 PolarHBondContact O-N 2.99Å; Y44-M48 WeakPolarHBondContact O-CB 3.37Å; Y44-M48 WeakPolarHBondContact O-CG 3.48Å; Y44-M48 PolarHBondContact O-N 2.85Å; Y44-F75 AromaticContact CD2-CE1 3.88Å; Y44-F75 HydrophobicContact CD2-CE1 3.88Å; Y44-F75 HydrophobicContact CD2-CZ 4.26Å; Y44-F75 HydrophobicContact CE2-CE1 4.17Å; Y44-F75 HydrophobicContact CE2-CZ 4.22Å; Y44-L78 VanDerWaalsContact CB-CD2 3.45Å; Y44-L78 HydrophobicContact CD2-CD2 4.28Å; Y44-L78 HydrophobicContact CG-CD2 4.1Å; Y44-F107 HydrophobicContact CD1-CE1 4.1Å; Y44-F107 HydrophobicContact CD2-CE1 4.11Å; Y44-F107 AromaticContact CE1-CD1 3.93Å; Y44-F107 HydrophobicContact CE1-CD1 3.93Å; Y44-F107 AromaticContact CE1-CE1 3.93Å; Y44-F107 HydrophobicContact CE1-CE1 3.93Å; Y44-F107 AromaticContact CE2-CD1 3.91Å; Y44-F107 HydrophobicContact CE2-CD1 3.91Å; Y44-F107 AromaticContact CE2-CE1 3.96Å; Y44-F107 HydrophobicContact CE2-CE1 3.96Å; Y44-F107 HydrophobicContact CG-CE1 4.2Å; Y44-F107 AromaticContact CZ-CD1 3.57Å; Y44-F107 AromaticContact CZ-CE1 3.86Å; Y44-V108 HydrophobicContact CE1-CB 4.4Å; Y44-V108 HydrophobicContact CE1-CG2 4.21Å; Y44-F111 HydrophobicContact CD1-CB 4.4Å; Y44-F111 AromaticContact CD1-CD1 3.96Å; Y44-F111 HydrophobicContact CD1-CD1 3.96Å; Y44-F111 AromaticContact CD1-CD2 3.64Å; Y44-F111 HydrophobicContact CD1-CD2 3.64Å; Y44-F111 HydrophobicContact CD1-CE1 4.13Å; Y44-F111 AromaticContact CD1-CE2 3.82Å; Y44-F111 HydrophobicContact CD1-CE2 3.82Å; Y44-F111 AromaticContact CD1-CG 3.72Å; Y44-F111 HydrophobicContact CD1-CG 3.72Å; Y44-F111 HydrophobicContact CD1-CZ 4.07Å; Y44-F111 HydrophobicContact CE1-CB 4.15Å; Y44-F111 HydrophobicContact CE1-CD1 4.33Å; Y44-F111 HydrophobicContact CE1-CD2 4.19Å; Y44-F111 AromaticContact CE1-CG 3.96Å; Y44-F111 HydrophobicContact CE1-CG 3.96Å; Y44-F111 HydrophobicContact CG-CD2 4.44Å; Y44-F111 HydrophobicContact CG-CE2 4.34Å
45C98.5Very high97.4Very high0 Ų015.3 Ų15.30%010%0.095CC..Hα-helixtrans-61.2-41.5174.2-69.70000111.6G41 A42 V43 M48 D49 V56 V61 N74G41-C45 PolarHBondContact O-N 3.44Å; G41-C45 PolarHBondContact O-SG 3.09Å; A42-C45 WeakPolarHBondContact O-CB 3.43Å; A42-C45 PolarHBondContact O-N 2.9Å; V43-C45 VanDerWaalsContact C-N 3.33Å; V43-C45 PolarHBondContact O-N 3.32Å; C45-M48 PolarHBondContact O-N 3.24Å; C45-D49 PolarHBondContact O-N 3.04Å; C45-D49 VanDerWaalsContact O-N 3.17Å; C45-V56 HydrophobicContact CB-CG1 3.95Å; C45-V61 HydrophobicContact CB-CG1 4.04Å; C45-V61 HydrophobicContact CB-CG2 3.66Å; C45-N74 PolarHBondContact SG-O 2.93Å; C45-N74 VanDerWaalsContact SG-O 3.33Å
46Q98Very high97.4Very high0 Ų015.5 Ų15.50%010%0.096CC..Hα-helixtrans-71.1-39.1179.8-167170.210.600112.5L28 A42 V43 Y44 M48 D49 M50 L58 F63 Y124 P126 R130L28-Q46 HydrophobicContact CD1-CB 4.25Å; L28-Q46 HydrophobicContact CD2-CB 4.39Å; L28-Q46 HydrophobicContact CD2-CG 3.89Å; A42-Q46 PolarHBondContact O-N 2.94Å; V43-Q46 PolarHBondContact O-N 3.16Å; V43-Q46 VanDerWaalsContact O-N 3.13Å; Y44-Q46 VanDerWaalsContact C-N 3.3Å; Y44-Q46 PolarHBondContact O-N 2.94Å; Q46-M48 VanDerWaalsContact C-N 3.33Å; Q46-D49 PolarHBondContact O-N 3.08Å; Q46-M50 PolarHBondContact O-N 2.85Å; Q46-L58 HydrophobicContact CB-CD1 4.31Å; Q46-L58 HydrophobicContact CG-CD1 4.49Å; Q46-F63 HydrophobicContact CB-CE1 4.06Å; Q46-F63 HydrophobicContact CB-CZ 4.24Å; Q46-F63 HydrophobicContact CG-CE1 4.4Å; Q46-F63 HydrophobicContact CG-CZ 4.44Å; Q46-Y124 HydrophobicContact CG-CE1 4.23Å; Q46-Y124 VanDerWaalsContact CG-OH 3.28Å; Q46-Y124 WeakPolarHBondContact CG-OH 3.03Å; Q46-Y124 PolarHBondContact O-OH 3.42Å; Q46-P126 VanDerWaalsContact NE2-CA 3.32Å; Q46-P126 PolarHBondContact NE2-O 3.18Å; Q46-R130 VanDerWaalsContact NE2-NH1 3.17Å
47F98.5Very high97.3Very high1 Ų115.5 Ų15.50%0.00410%0.1CC..Hα-helixtrans-63.9-37.7171.8-82.3-52.5000112.6W23 I24 L28 V43 Y44 D49 M50 L51 F111 F115W23-F47 HydrophobicContact CH2-CD2 4.4Å; W23-F47 HydrophobicContact CH2-CE1 4.34Å; W23-F47 AromaticContact CH2-CE2 3.78Å; W23-F47 HydrophobicContact CH2-CE2 3.78Å; W23-F47 AromaticContact CH2-CZ 3.74Å; W23-F47 HydrophobicContact CH2-CZ 3.74Å; W23-F47 AromaticContact CZ2-CE1 3.86Å; W23-F47 HydrophobicContact CZ2-CE1 3.86Å; W23-F47 HydrophobicContact CZ2-CE2 4.12Å; W23-F47 AromaticContact CZ2-CZ 3.6Å; W23-F47 HydrophobicContact CZ2-CZ 3.6Å; W23-F47 HydrophobicContact CZ3-CE2 4.23Å; W23-F47 HydrophobicContact CZ3-CZ 4.29Å; I24-F47 HydrophobicContact CG1-CE2 4.11Å; I24-F47 HydrophobicContact CG1-CZ 4.3Å; I24-F47 HydrophobicContact CG2-CE2 4.24Å; I24-F47 HydrophobicContact CG2-CZ 4.45Å; L28-F47 HydrophobicContact CD1-CD1 4.3Å; L28-F47 HydrophobicContact CD1-CD2 3.96Å; L28-F47 HydrophobicContact CD1-CE1 4.12Å; L28-F47 HydrophobicContact CD1-CE2 3.76Å; L28-F47 HydrophobicContact CD1-CG 4.22Å; L28-F47 HydrophobicContact CD1-CZ 3.85Å; L28-F47 HydrophobicContact CD2-CD1 4Å; L28-F47 HydrophobicContact CD2-CE1 3.93Å; L28-F47 HydrophobicContact CD2-CZ 4.44Å; L28-F47 HydrophobicContact CG-CD1 4.25Å; L28-F47 HydrophobicContact CG-CE1 3.81Å; L28-F47 HydrophobicContact CG-CE2 4.27Å; L28-F47 HydrophobicContact CG-CZ 3.82Å; V43-F47 HydrophobicContact CG1-CD2 3.66Å; V43-F47 HydrophobicContact CG1-CE2 3.54Å; V43-F47 WeakPolarHBondContact O-CD2 3.43Å; V43-F47 PolarHBondContact O-N 3.45Å; Y44-F47 PolarHBondContact O-N 2.99Å; F47-D49 VanDerWaalsContact C-N 3.29Å; F47-D49 PolarHBondContact O-N 3.31Å; F47-M50 HydrophobicContact CD1-CE 4.4Å; F47-M50 HydrophobicContact CD1-SD 4Å; F47-M50 HydrophobicContact CE1-CE 4.45Å; F47-M50 HydrophobicContact CE1-SD 4.3Å; F47-M50 WeakPolarHBondContact O-CB 3.18Å; F47-M50 PolarHBondContact O-N 2.79Å; F47-L51 WeakPolarHBondContact O-CG 3.16Å; F47-L51 PolarHBondContact O-N 3.38Å; F47-F111 HydrophobicContact CB-CE1 3.52Å; F47-F111 HydrophobicContact CB-CZ 3.72Å; F47-F111 HydrophobicContact CD2-CD1 4.49Å; F47-F111 AromaticContact CD2-CE1 3.84Å; F47-F111 HydrophobicContact CD2-CE1 3.84Å; F47-F111 AromaticContact CG-CE1 3.93Å; F47-F111 HydrophobicContact CG-CE1 3.93Å; F47-F115 HydrophobicContact CB-CD2 4.38Å; F47-F115 AromaticContact CD1-CD2 3.84Å; F47-F115 HydrophobicContact CD1-CD2 3.84Å; F47-F115 AromaticContact CD1-CE2 3.52Å; F47-F115 HydrophobicContact CD1-CE2 3.52Å; F47-F115 HydrophobicContact CD1-CZ 4.34Å; F47-F115 HydrophobicContact CE1-CD2 4.4Å; F47-F115 HydrophobicContact CE1-CE2 4.03Å; F47-F115 HydrophobicContact CE1-CZ 4.46Å; F47-F115 HydrophobicContact CG-CD2 4.29Å; F47-F115 HydrophobicContact CG-CE2 4.36Å
48M98.2Very high97.2Very high0 Ų013.7 Ų13.70%09%0.092CC..Hα-helixtrans-63.1-36.3174.8-81.8-63-65.500112.6Y44 C45 Q46 F52 S55 V56 L78 F82 M85 F111 F114Y44-M48 WeakPolarHBondContact O-CB 3.37Å; Y44-M48 WeakPolarHBondContact O-CG 3.48Å; Y44-M48 PolarHBondContact O-N 2.85Å; C45-M48 PolarHBondContact O-N 3.24Å; Q46-M48 VanDerWaalsContact C-N 3.33Å; M48-F52 HydrophobicContact CE-CD2 3.93Å; M48-F52 HydrophobicContact CE-CE2 4.49Å; M48-F52 CarbonylContact O-C 3.43Å; M48-F52 WeakPolarHBondContact O-CA 3.42Å; M48-F52 PolarHBondContact O-N 3.01Å; M48-F52 VanDerWaalsContact O-O 3.12Å; M48-F52 HydrophobicContact SD-CD2 4.31Å; M48-S55 PolarHBondContact O-OG 3.13Å; M48-V56 HydrophobicContact CB-CG2 3.61Å; M48-V56 HydrophobicContact CG-CG2 4.35Å; M48-L78 HydrophobicContact CB-CD1 4.36Å; M48-L78 HydrophobicContact CG-CD1 3.46Å; M48-L78 VanDerWaalsContact CG-CD1 3.46Å; M48-F82 HydrophobicContact CE-CD1 3.95Å; M48-F82 HydrophobicContact CE-CE1 4.33Å; M48-F82 HydrophobicContact CG-CD1 4.35Å; M48-F82 HydrophobicContact CG-CE1 4.04Å; M48-F82 HydrophobicContact SD-CD1 3.91Å; M48-F82 HydrophobicContact SD-CE1 3.67Å; M48-M85 HydrophobicContact CE-CB 4.4Å; M48-M85 HydrophobicContact CE-CG 3.99Å; M48-F111 HydrophobicContact CG-CZ 4.43Å; M48-F114 HydrophobicContact SD-CE1 3.9Å; M48-F114 HydrophobicContact SD-CZ 4.39Å
49D97.3Very high97Very high8 Ų821.5 Ų21.54%0.04313%0.125CC..Hα-helixtrans-69.3-37.9173.2-171.266.6000112.1C45 Q46 F47 F52 P53 G54 L58 Y124 M129C45-D49 PolarHBondContact O-N 3.04Å; C45-D49 VanDerWaalsContact O-N 3.17Å; Q46-D49 PolarHBondContact O-N 3.08Å; F47-D49 VanDerWaalsContact C-N 3.29Å; F47-D49 PolarHBondContact O-N 3.31Å; D49-F52 CarbonylContact O-C 3.34Å; D49-P53 VanDerWaalsContact O-CA 3.25Å; D49-P53 WeakPolarHBondContact O-CA 3.49Å; D49-P53 WeakPolarHBondContact O-CD 3.43Å; D49-P53 VanDerWaalsContact O-N 3.09Å; D49-G54 PolarHBondContact OD1-N 3.23Å; D49-G54 VanDerWaalsContact OD1-N 3.11Å; D49-L58 HydrophobicContact CB-CD1 4.22Å; D49-L58 HydrophobicContact CB-CD2 4.37Å; D49-Y124 PolarHBondContact OD2-OH 2.83Å; D49-M129 WeakPolarHBondContact OD2-CE 3.44Å
50M97.2Very high96.9Very high6 Ų627.5 Ų27.53%0.0315%0.15CC..Hα-helixtrans-61.6-47.6173.2-179.5-169.6-77.700112.2S27 L28 Q46 F47 F115 Y119 K122 Y124S27-M50 WeakPolarHBondContact O-CE 3.27Å; L28-M50 HydrophobicContact CD2-CE 3.58Å; Q46-M50 PolarHBondContact O-N 2.85Å; F47-M50 HydrophobicContact CD1-CE 4.4Å; F47-M50 HydrophobicContact CD1-SD 4Å; F47-M50 HydrophobicContact CE1-CE 4.45Å; F47-M50 HydrophobicContact CE1-SD 4.3Å; F47-M50 WeakPolarHBondContact O-CB 3.18Å; F47-M50 PolarHBondContact O-N 2.79Å; M50-F115 HydrophobicContact CG-CE2 4.4Å; M50-F115 HydrophobicContact SD-CE2 3.57Å; M50-F115 VanDerWaalsContact SD-CE2 3.57Å; M50-F115 HydrophobicContact SD-CZ 3.51Å; M50-F115 VanDerWaalsContact SD-CZ 3.51Å; M50-Y119 HydrophobicContact CG-CE2 4.01Å; M50-Y119 HydrophobicContact SD-CE2 4.07Å; M50-K122 WeakPolarHBondContact O-CD 3.14Å; M50-Y124 HydrophobicContact CB-CD1 4.08Å; M50-Y124 HydrophobicContact CB-CD2 3.96Å; M50-Y124 HydrophobicContact CB-CE1 4.04Å; M50-Y124 HydrophobicContact CB-CE2 3.99Å; M50-Y124 HydrophobicContact CB-CG 4Å; M50-Y124 HydrophobicContact CE-CD1 3.18Å; M50-Y124 HydrophobicContact CE-CE1 3.7Å; M50-Y124 HydrophobicContact CE-CG 3.86Å; M50-Y124 HydrophobicContact CG-CD1 3.96Å; M50-Y124 HydrophobicContact CG-CD2 4.06Å; M50-Y124 HydrophobicContact CG-CE1 4.42Å; M50-Y124 HydrophobicContact CG-CG 3.71Å; M50-Y124 HydrophobicContact SD-CD1 4.39Å
51L97.4Very high96.8Very high2 Ų227.1 Ų27.11%0.0115%0.148CC..Hα-helixtrans-66.4-50.6177-69.3173.5000110.9F47 F114 F115 N118 Y119 K122F47-L51 WeakPolarHBondContact O-CG 3.16Å; F47-L51 PolarHBondContact O-N 3.38Å; L51-F114 HydrophobicContact CD1-CD1 4.14Å; L51-F114 HydrophobicContact CD1-CE1 3.71Å; L51-F115 HydrophobicContact CD1-CB 4.48Å; L51-F115 HydrophobicContact CD1-CD2 3.78Å; L51-F115 HydrophobicContact CD1-CE2 4.43Å; L51-F115 HydrophobicContact CD1-CG 4.46Å; L51-F115 HydrophobicContact CD2-CD2 3.58Å; L51-F115 HydrophobicContact CD2-CE2 3.65Å; L51-F115 HydrophobicContact CD2-CG 4.1Å; L51-F115 HydrophobicContact CD2-CZ 4.25Å; L51-F115 HydrophobicContact CG-CD2 3.65Å; L51-F115 HydrophobicContact CG-CE2 3.81Å; L51-N118 HydrophobicContact CD1-CB 4.44Å; L51-N118 HydrophobicContact CD2-CB 4.02Å; L51-Y119 HydrophobicContact CD2-CD2 4.09Å; L51-Y119 HydrophobicContact CD2-CG 4.44Å; L51-K122 PolarHBondContact O-NZ 3.44Å
52F96.8Very high96.7Very high33 Ų3330.6 Ų30.615%0.14516%0.163CC..SBendtrans-133.387.3-171.1-49.6-65.8000110.5A2 M48 D49 G54 S55 M85 F114 N118A2-F52 HydrophobicContact CB-CE1 4.45Å; A2-F52 HydrophobicContact CB-CE2 3.79Å; A2-F52 HydrophobicContact CB-CZ 3.53Å; M48-F52 HydrophobicContact CE-CD2 3.93Å; M48-F52 HydrophobicContact CE-CE2 4.49Å; M48-F52 CarbonylContact O-C 3.43Å; M48-F52 WeakPolarHBondContact O-CA 3.42Å; M48-F52 PolarHBondContact O-N 3.01Å; M48-F52 VanDerWaalsContact O-O 3.12Å; M48-F52 HydrophobicContact SD-CD2 4.31Å; D49-F52 CarbonylContact O-C 3.34Å; F52-G54 PolarHBondContact O-N 3.37Å; F52-S55 WeakPolarHBondContact O-CB 3.34Å; F52-S55 PolarHBondContact O-N 2.94Å; F52-S55 PolarHBondContact O-OG 3.33Å; F52-M85 HydrophobicContact CB-CE 3.93Å; F52-M85 HydrophobicContact CB-CG 4.1Å; F52-M85 HydrophobicContact CB-SD 3.84Å; F52-M85 HydrophobicContact CD1-CE 3.35Å; F52-M85 HydrophobicContact CD1-SD 4.4Å; F52-M85 HydrophobicContact CD2-CB 4.46Å; F52-M85 HydrophobicContact CD2-CE 4.03Å; F52-M85 HydrophobicContact CD2-CG 3.85Å; F52-M85 HydrophobicContact CD2-SD 4.44Å; F52-M85 HydrophobicContact CE1-CE 3.76Å; F52-M85 HydrophobicContact CE2-CE 4.39Å; F52-M85 HydrophobicContact CE2-CG 4.47Å; F52-M85 HydrophobicContact CG-CE 3.48Å; F52-M85 VanDerWaalsContact CG-CE 3.48Å; F52-M85 HydrophobicContact CG-CG 4Å; F52-M85 HydrophobicContact CG-SD 3.98Å; F52-M85 HydrophobicContact CZ-CE 4.24Å; F52-F114 HydrophobicContact CE2-CE1 4.41Å; F52-F114 AromaticContact CE2-CZ 3.97Å; F52-F114 HydrophobicContact CE2-CZ 3.97Å; F52-N118 HydrophobicContact CE2-CB 4.44Å; F52-N118 HydrophobicContact CZ-CB 3.78Å; F52-N118 WeakPolarHBondContact CZ-OD1 3.45Å
53P95.6Very high96.6Very high92 Ų9230.7 Ų30.760%0.59716%0.163SC*.THydrogen-bonded Turntrans-53.1130.1-178.1-30.136.1000112.8D49 S55D49-P53 VanDerWaalsContact O-CA 3.25Å; D49-P53 WeakPolarHBondContact O-CA 3.49Å; D49-P53 WeakPolarHBondContact O-CD 3.43Å; D49-P53 VanDerWaalsContact O-N 3.09Å; P53-S55 VanDerWaalsContact C-N 3.26Å; P53-S55 PolarHBondContact O-N 3.47Å
54G93.6Very high96.3Very high44 Ų4432.3 Ų32.345%0.45418%0.18SC..THydrogen-bonded Turntrans74.19.8-178.100000115D49 F52 V56 K84D49-G54 PolarHBondContact OD1-N 3.23Å; D49-G54 VanDerWaalsContact OD1-N 3.11Å; F52-G54 PolarHBondContact O-N 3.37Å; G54-V56 VanDerWaalsContact C-N 3.35Å; G54-K84 PolarHBondContact O-NZ 3.5Å
55S96.4Very high96.1Very high5 Ų532.3 Ų32.34%0.03518%0.18CC..SBendtrans-69.3-35.1169.365.50000111.9M48 F52 P53 G81M48-S55 PolarHBondContact O-OG 3.13Å; F52-S55 WeakPolarHBondContact O-CB 3.34Å; F52-S55 PolarHBondContact O-N 2.94Å; F52-S55 PolarHBondContact O-OG 3.33Å; P53-S55 VanDerWaalsContact C-N 3.26Å; P53-S55 PolarHBondContact O-N 3.47Å; S55-G81 WeakPolarHBondContact O-CA 3.38Å
56V96.9Very high95.9Very high4 Ų438.3 Ų38.32%0.02421%0.207CC..SBendtrans-118.7137.3179.1177.40000109.4C45 M48 G54 L58 V61 L77C45-V56 HydrophobicContact CB-CG1 3.95Å; M48-V56 HydrophobicContact CB-CG2 3.61Å; M48-V56 HydrophobicContact CG-CG2 4.35Å; G54-V56 VanDerWaalsContact C-N 3.35Å; V56-L58 VanDerWaalsContact C-N 3.26Å; V56-L58 PolarHBondContact O-N 3.28Å; V56-V61 HydrophobicContact CG1-CG2 4.14Å; V56-L77 HydrophobicContact CG1-CB 4.18Å
57P94.8Very high95.7Very high50 Ų5043 Ų4333%0.32523%0.231SC..  trans-75.278.4175.632.4-36.4000110.5K59 K60 L77P57-K59 PolarHBondContact O-N 2.91Å; P57-K59 VanDerWaalsContact O-N 3.08Å; P57-K60 HydrophobicContact CB-CD 4.24Å; P57-K60 HydrophobicContact CB-CG 4.4Å; P57-K60 HydrophobicContact CG-CD 4.35Å; P57-K60 WeakPolarHBondContact O-CB 3.48Å; P57-K60 PolarHBondContact O-N 3.46Å; P57-L77 HydrophobicContact CG-CD1 4.44Å; P57-L77 HydrophobicContact CG-CD2 3.76Å; P57-L77 HydrophobicContact CG-CG 4.5Å
58L94.5Very high95.6Very high15 Ų1546.7 Ų46.78%0.07925%0.248CC..G310 helixtrans-53.9-34.8-170.6-159.568.5000113.6Q46 D49 V56 K60 V61 F63 M129Q46-L58 HydrophobicContact CB-CD1 4.31Å; Q46-L58 HydrophobicContact CG-CD1 4.49Å; D49-L58 HydrophobicContact CB-CD1 4.22Å; D49-L58 HydrophobicContact CB-CD2 4.37Å; V56-L58 VanDerWaalsContact C-N 3.26Å; V56-L58 PolarHBondContact O-N 3.28Å; L58-K60 PolarHBondContact O-N 3.13Å; L58-K60 VanDerWaalsContact O-N 3.1Å; L58-V61 HydrophobicContact CD1-CG2 4.21Å; L58-V61 VanDerWaalsContact O-CB 3.29Å; L58-V61 WeakPolarHBondContact O-CB 3.39Å; L58-V61 PolarHBondContact O-N 3.4Å; L58-F63 HydrophobicContact CD1-CE2 4.31Å; L58-F63 HydrophobicContact CD1-CZ 3.79Å; L58-F63 HydrophobicContact CG-CE2 4.26Å; L58-F63 HydrophobicContact CG-CZ 4.12Å; L58-M129 HydrophobicContact CD2-CB 3.81Å; L58-M129 HydrophobicContact CD2-CE 4.2Å; L58-M129 WeakPolarHBondContact CD2-O 3.43Å
59K93.6Very high95.5Very high163 Ų16352.4 Ų52.471%0.70928%0.275SS*.G310 helixtrans-58.7-23.4175.5-65.1-176.3178.8-178.70114.5P57P57-K59 PolarHBondContact O-N 2.91Å; P57-K59 VanDerWaalsContact O-N 3.08Å
60K96Very high95.5Very high139 Ų13953.7 Ų53.760%0.60428%0.281SS*.G310 helixtrans-93.7-8.6178.9-63.5-174.7177.3-1790112.8P57 L58 H73 L77P57-K60 HydrophobicContact CB-CD 4.24Å; P57-K60 HydrophobicContact CB-CG 4.4Å; P57-K60 HydrophobicContact CG-CD 4.35Å; P57-K60 WeakPolarHBondContact O-CB 3.48Å; P57-K60 PolarHBondContact O-N 3.46Å; L58-K60 PolarHBondContact O-N 3.13Å; L58-K60 VanDerWaalsContact O-N 3.1Å; K60-H73 PolarHBondContact O-NE2 3Å; K60-L77 HydrophobicContact CB-CD1 3.84Å
61V97.4Very high95.6Very high2 Ų254.9 Ų54.91%0.01229%0.285CS..  trans-71.8135.6177.6178.50000108.2A42 C45 V56 L58 F63 L77 Q133A42-V61 HydrophobicContact CB-CG1 3.95Å; C45-V61 HydrophobicContact CB-CG1 4.04Å; C45-V61 HydrophobicContact CB-CG2 3.66Å; V56-V61 HydrophobicContact CG1-CG2 4.14Å; L58-V61 HydrophobicContact CD1-CG2 4.21Å; L58-V61 VanDerWaalsContact O-CB 3.29Å; L58-V61 WeakPolarHBondContact O-CB 3.39Å; L58-V61 PolarHBondContact O-N 3.4Å; V61-F63 HydrophobicContact CB-CD2 4.39Å; V61-F63 HydrophobicContact CB-CE2 3.95Å; V61-F63 HydrophobicContact CB-CZ 4.36Å; V61-F63 HydrophobicContact CG1-CD2 4.18Å; V61-F63 HydrophobicContact CG1-CE1 4.37Å; V61-F63 HydrophobicContact CG1-CE2 3.93Å; V61-F63 HydrophobicContact CG1-CZ 4.04Å; V61-L77 HydrophobicContact CG2-CD1 3.81Å; V61-Q133 PolarHBondContact O-OE1 2.96Å
62K96.3Very high95.6Very high72 Ų7257.4 Ų57.431%0.31330%0.298SS..  trans-94.794.7177.4-64.3179.9166.9-1590109A65 E70 N74K62-A65 HydrophobicContact CB-CB 3.99Å; K62-A65 WeakPolarHBondContact O-CB 3.38Å; K62-A65 PolarHBondContact O-N 3.27Å; K62-E70 HydrophobicContact CD-CB 3.77Å; K62-E70 HydrophobicContact CD-CG 4.05Å; K62-E70 IonicContact NZ-OE1 2.72Å; K62-E70 PolarHBondContact NZ-OE1 2.95Å; K62-N74 PolarHBondContact N-OD1 2.98Å; K62-N74 PolarHBondContact O-ND2 3.42Å
63F95.2Very high95.7Very high5 Ų559 Ų592%0.02231%0.306CS..THydrogen-bonded Turntrans-72.1-27.3-178.5-75.9-82000114M30 A42 Q46 L58 V61 R130 Q133M30-F63 HydrophobicContact CE-CD1 4.04Å; M30-F63 HydrophobicContact CE-CE1 4.36Å; A42-F63 HydrophobicContact CB-CD1 3.97Å; A42-F63 HydrophobicContact CB-CE1 4.34Å; Q46-F63 HydrophobicContact CB-CE1 4.06Å; Q46-F63 HydrophobicContact CB-CZ 4.24Å; Q46-F63 HydrophobicContact CG-CE1 4.4Å; Q46-F63 HydrophobicContact CG-CZ 4.44Å; L58-F63 HydrophobicContact CD1-CE2 4.31Å; L58-F63 HydrophobicContact CD1-CZ 3.79Å; L58-F63 HydrophobicContact CG-CE2 4.26Å; L58-F63 HydrophobicContact CG-CZ 4.12Å; V61-F63 HydrophobicContact CB-CD2 4.39Å; V61-F63 HydrophobicContact CB-CE2 3.95Å; V61-F63 HydrophobicContact CB-CZ 4.36Å; V61-F63 HydrophobicContact CG1-CD2 4.18Å; V61-F63 HydrophobicContact CG1-CE1 4.37Å; V61-F63 HydrophobicContact CG1-CE2 3.93Å; V61-F63 HydrophobicContact CG1-CZ 4.04Å; F63-R130 HydrophobicContact CD1-CG 3.95Å; F63-R130 HydrophobicContact CD2-CG 4.14Å; F63-R130 HydrophobicContact CE1-CG 3.7Å; F63-R130 HydrophobicContact CE2-CG 3.91Å; F63-R130 HydrophobicContact CG-CG 4.16Å; F63-R130 HydrophobicContact CZ-CG 3.67Å; F63-Q133 HydrophobicContact CB-CB 4.24Å; F63-Q133 HydrophobicContact CD2-CB 4.31Å
64G92.1Very high95.9Very high36 Ų3654.6 Ų54.637%0.37128%0.277SS..THydrogen-bonded Turntrans-99.628174.100000113.6E134G64-E134 PolarHBondContact N-O 3.36Å
65A93.9Very high96.1Very high1 Ų152.5 Ų52.51%0.00826%0.255CS..  trans-59.7136.1179.500000111.1K62 E70 Y71K62-A65 HydrophobicContact CB-CB 3.99Å; K62-A65 WeakPolarHBondContact O-CB 3.38Å; K62-A65 PolarHBondContact O-N 3.27Å; A65-E70 HydrophobicContact CB-CB 3.73Å; A65-Y71 HydrophobicContact CB-CD1 3.76Å; A65-Y71 HydrophobicContact CB-CE1 3.77Å; A65-Y71 WeakPolarHBondContact O-CE1 3.47Å
66K93.3Very high96.2Very high127 Ų12758.3 Ų58.355%0.55228%0.28SS*.  trans-127.4-14.7179.8-64-178.9-175.7-179.40113.8E70 Y71 M136K66-E70 PolarHBondContact N-OE2 2.85Å; K66-Y71 VanDerWaalsContact C-OH 3.27Å; K66-Y71 PolarHBondContact O-OH 2.65Å; K66-Y71 VanDerWaalsContact O-OH 3.12Å; K66-M136 HydrophobicContact CG-CE 4.32Å; K66-M136 HydrophobicContact CG-SD 3.97Å
67L94Very high96.3Very high98 Ų9859.1 Ų59.151%0.51328%0.284SS..SBendtrans-113.8145.2-176.3-57.3174.3000110.5H69 E70 Y71L67-H69 VanDerWaalsContact C-N 3.27Å; L67-H69 PolarHBondContact O-N 3.49Å; L67-H69 VanDerWaalsContact O-N 3.16Å; L67-E70 HydrophobicContact CB-CG 4.13Å; L67-E70 PolarHBondContact N-OE2 3.43Å; L67-E70 WeakPolarHBondContact O-CA 3.41Å; L67-E70 WeakPolarHBondContact O-CB 3.43Å; L67-E70 PolarHBondContact O-N 3.12Å; L67-Y71 WeakPolarHBondContact O-CD1 3.4Å; L67-Y71 PolarHBondContact O-N 2.82Å
68E96.4Very high96.4Very high79 Ų7956.7 Ų56.737%0.36927%0.268SS..Hα-helixtrans-55.2-39.4-174.9-169.3-178.7117.300113.3E70 Y71 I72 V97 K98E68-E70 PolarHBondContact O-N 2.86Å; E68-Y71 VanDerWaalsContact O-CB 3.31Å; E68-Y71 WeakPolarHBondContact O-CB 3.37Å; E68-Y71 PolarHBondContact O-N 2.64Å; E68-I72 HydrophobicContact CG-CD1 4.41Å; E68-I72 WeakPolarHBondContact O-CG1 3.38Å; E68-I72 PolarHBondContact O-N 3.22Å; E68-V97 HydrophobicContact CG-CB 3.99Å; E68-V97 HydrophobicContact CG-CG2 3.84Å; E68-K98 IonicContact OE1-NZ 2.75Å; E68-K98 PolarHBondContact OE1-NZ 3.2Å; E68-K98 IonicContact OE2-NZ 2.65Å; E68-K98 PolarHBondContact OE2-NZ 3.19Å
69H96.9Very high96.6Very high119 Ų11960 Ų6055%0.55128%0.284SS*.Hα-helixtrans-64.5-24.5178.271.2-95.9000113L67 H73L67-H69 VanDerWaalsContact C-N 3.27Å; L67-H69 PolarHBondContact O-N 3.49Å; L67-H69 VanDerWaalsContact O-N 3.16Å; H69-H73 PolarHBondContact O-N 2.94Å
70E97.7Very high96.8Very high36 Ų3656.3 Ų56.317%0.16827%0.274CS..Hα-helixtrans-77-35173.4-52.4-169.3105.600111.6K62 A65 K66 L67 E68 H73 N74K62-E70 HydrophobicContact CD-CB 3.77Å; K62-E70 HydrophobicContact CD-CG 4.05Å; K62-E70 IonicContact NZ-OE1 2.72Å; K62-E70 PolarHBondContact NZ-OE1 2.95Å; A65-E70 HydrophobicContact CB-CB 3.73Å; K66-E70 PolarHBondContact N-OE2 2.85Å; L67-E70 HydrophobicContact CB-CG 4.13Å; L67-E70 PolarHBondContact N-OE2 3.43Å; L67-E70 WeakPolarHBondContact O-CA 3.41Å; L67-E70 WeakPolarHBondContact O-CB 3.43Å; L67-E70 PolarHBondContact O-N 3.12Å; E68-E70 PolarHBondContact O-N 2.86Å; E70-H73 WeakPolarHBondContact O-CB 3.49Å; E70-H73 PolarHBondContact O-N 3.2Å; E70-N74 PolarHBondContact O-N 3.34Å
71Y98.5Very high96.9Very high30 Ų3049.7 Ų49.712%0.11825%0.246CC..Hα-helixtrans-64.4-46.4173.8-53-14.5000110.2C39 T40 A65 K66 L67 E68 H73 N74 F75 V97C39-Y71 WeakPolarHBondContact O-CB 3.49Å; T40-Y71 HydrophobicContact CG2-CD1 4.1Å; T40-Y71 HydrophobicContact CG2-CE1 3.71Å; A65-Y71 HydrophobicContact CB-CD1 3.76Å; A65-Y71 HydrophobicContact CB-CE1 3.77Å; A65-Y71 WeakPolarHBondContact O-CE1 3.47Å; K66-Y71 VanDerWaalsContact C-OH 3.27Å; K66-Y71 PolarHBondContact O-OH 2.65Å; K66-Y71 VanDerWaalsContact O-OH 3.12Å; L67-Y71 WeakPolarHBondContact O-CD1 3.4Å; L67-Y71 PolarHBondContact O-N 2.82Å; E68-Y71 VanDerWaalsContact O-CB 3.31Å; E68-Y71 WeakPolarHBondContact O-CB 3.37Å; E68-Y71 PolarHBondContact O-N 2.64Å; Y71-H73 VanDerWaalsContact C-N 3.26Å; Y71-H73 PolarHBondContact O-N 3.13Å; Y71-N74 PolarHBondContact O-N 2.89Å; Y71-N74 VanDerWaalsContact O-N 3.13Å; Y71-F75 WeakPolarHBondContact O-CD2 3.24Å; Y71-F75 PolarHBondContact O-N 3.28Å; Y71-V97 HydrophobicContact CD2-CB 4.46Å
72I98.3Very high96.9Very high55 Ų5549.9 Ų49.928%0.28225%0.246SC..Hα-helixtrans-57.2-41.7174.4-65.3169.8000110.6E68 F75 K76 V93 V97E68-I72 HydrophobicContact CG-CD1 4.41Å; E68-I72 WeakPolarHBondContact O-CG1 3.38Å; E68-I72 PolarHBondContact O-N 3.22Å; I72-F75 PolarHBondContact O-N 3.1Å; I72-K76 WeakPolarHBondContact O-CG 3.26Å; I72-K76 PolarHBondContact O-N 2.9Å; I72-V93 HydrophobicContact CG1-CG1 4.47Å; I72-V97 HydrophobicContact CG1-CB 4.42Å; I72-V97 HydrophobicContact CG1-CG1 3.92Å; I72-V97 HydrophobicContact CG1-CG2 4.26Å
73H98.6Very high97Very high67 Ų6755.2 Ų55.231%0.3127%0.27SS..Hα-helixtrans-58.9-49.3174.9168.686.8000111.8K60 H69 E70 Y71 F75 K76 L77K60-H73 PolarHBondContact O-NE2 3Å; H69-H73 PolarHBondContact O-N 2.94Å; E70-H73 WeakPolarHBondContact O-CB 3.49Å; E70-H73 PolarHBondContact O-N 3.2Å; Y71-H73 VanDerWaalsContact C-N 3.26Å; Y71-H73 PolarHBondContact O-N 3.13Å; H73-F75 PolarHBondContact O-N 3.31Å; H73-K76 WeakPolarHBondContact O-CB 3.47Å; H73-K76 PolarHBondContact O-N 3.48Å; H73-L77 PolarHBondContact O-N 2.94Å
74N98.6Very high97.1Very high0 Ų061.3 Ų61.30%030%0.296CS..Hα-helixtrans-60.6-44.4176.9-72.8-16.3000111.8T40 C45 K62 E70 Y71 K76 L77 L78T40-N74 VanDerWaalsContact O-CB 3.24Å; T40-N74 WeakPolarHBondContact O-CB 3.44Å; T40-N74 PolarHBondContact O-ND2 2.79Å; C45-N74 PolarHBondContact SG-O 2.93Å; C45-N74 VanDerWaalsContact SG-O 3.33Å; K62-N74 PolarHBondContact N-OD1 2.98Å; K62-N74 PolarHBondContact O-ND2 3.42Å; E70-N74 PolarHBondContact O-N 3.34Å; Y71-N74 PolarHBondContact O-N 2.89Å; Y71-N74 VanDerWaalsContact O-N 3.13Å; N74-K76 VanDerWaalsContact C-N 3.31Å; N74-K76 PolarHBondContact O-N 3.11Å; N74-L77 WeakPolarHBondContact O-CB 3.37Å; N74-L77 PolarHBondContact O-N 3.36Å; N74-L78 PolarHBondContact O-N 3.37Å
75F98.7Very high97.4Very high0 Ų061 Ų610%029%0.285CS..Hα-helixtrans-63.6-32.7176.8-83.1-64000113.5C39 Y44 Y71 I72 H73 L77 L78 Q79 I91 V93 L96 V97C39-F75 WeakPolarHBondContact O-CE2 3.41Å; Y44-F75 AromaticContact CD2-CE1 3.88Å; Y44-F75 HydrophobicContact CD2-CE1 3.88Å; Y44-F75 HydrophobicContact CD2-CZ 4.26Å; Y44-F75 HydrophobicContact CE2-CE1 4.17Å; Y44-F75 HydrophobicContact CE2-CZ 4.22Å; Y71-F75 WeakPolarHBondContact O-CD2 3.24Å; Y71-F75 PolarHBondContact O-N 3.28Å; I72-F75 PolarHBondContact O-N 3.1Å; H73-F75 PolarHBondContact O-N 3.31Å; F75-L77 VanDerWaalsContact C-N 3.32Å; F75-L77 PolarHBondContact O-N 2.96Å; F75-L78 HydrophobicContact CD1-CD2 3.89Å; F75-L78 HydrophobicContact CE1-CD2 4.12Å; F75-L78 WeakPolarHBondContact O-CB 3.43Å; F75-L78 PolarHBondContact O-N 2.76Å; F75-Q79 WeakPolarHBondContact O-CG 3.43Å; F75-Q79 PolarHBondContact O-N 2.88Å; F75-I91 HydrophobicContact CD1-CG2 3.86Å; F75-I91 HydrophobicContact CE1-CG2 4.1Å; F75-V93 HydrophobicContact CB-CB 4.45Å; F75-V93 HydrophobicContact CB-CG1 3.76Å; F75-V93 HydrophobicContact CB-CG2 3.86Å; F75-V93 HydrophobicContact CD2-CG1 4.12Å; F75-V93 HydrophobicContact CG-CG1 4.12Å; F75-V93 HydrophobicContact CG-CG2 4.26Å; F75-L96 HydrophobicContact CE1-CB 4.41Å; F75-L96 HydrophobicContact CE1-CD1 3.68Å; F75-L96 HydrophobicContact CE2-CB 3.89Å; F75-L96 HydrophobicContact CZ-CB 3.64Å; F75-L96 HydrophobicContact CZ-CD1 3.73Å; F75-L96 HydrophobicContact CZ-CG 4.31Å; F75-V97 HydrophobicContact CD2-CG1 3.46Å; F75-V97 VanDerWaalsContact CD2-CG1 3.46Å; F75-V97 HydrophobicContact CE2-CG1 3.65Å
76K98.3Very high97.5Very high127 Ų12762.2 Ų62.255%0.55230%0.298SS*.Hα-helixtrans-63.6-38.4171.1-76.7-178.9177.1-178.60111.9I72 H73 N74 L78 Q79 V80I72-K76 WeakPolarHBondContact O-CG 3.26Å; I72-K76 PolarHBondContact O-N 2.9Å; H73-K76 WeakPolarHBondContact O-CB 3.47Å; H73-K76 PolarHBondContact O-N 3.48Å; N74-K76 VanDerWaalsContact C-N 3.31Å; N74-K76 PolarHBondContact O-N 3.11Å; K76-L78 VanDerWaalsContact C-N 3.33Å; K76-Q79 PolarHBondContact O-N 3.07Å; K76-V80 WeakPolarHBondContact O-CG2 3.27Å; K76-V80 PolarHBondContact O-N 3.1Å; K76-V80 VanDerWaalsContact O-N 3.11Å
77L98.4Very high97.7Very high20 Ų2056.8 Ų56.811%0.10528%0.275CS..Hα-helixtrans-65-39.6174-60.3-178000111.4V56 P57 K60 V61 H73 N74 F75 V80 G81V56-L77 HydrophobicContact CG1-CB 4.18Å; P57-L77 HydrophobicContact CG-CD1 4.44Å; P57-L77 HydrophobicContact CG-CD2 3.76Å; P57-L77 HydrophobicContact CG-CG 4.5Å; K60-L77 HydrophobicContact CB-CD1 3.84Å; V61-L77 HydrophobicContact CG2-CD1 3.81Å; H73-L77 PolarHBondContact O-N 2.94Å; N74-L77 WeakPolarHBondContact O-CB 3.37Å; N74-L77 PolarHBondContact O-N 3.36Å; F75-L77 VanDerWaalsContact C-N 3.32Å; F75-L77 PolarHBondContact O-N 2.96Å; L77-V80 WeakPolarHBondContact O-CB 3.39Å; L77-V80 PolarHBondContact O-N 3.27Å; L77-G81 PolarHBondContact O-N 2.94Å; L77-G81 VanDerWaalsContact O-N 3.08Å
78L98.6Very high97.7Very high0 Ų056 Ų560%027%0.271CS..Hα-helixtrans-61.9-45.7174.7-17662.5000112.1Y44 M48 N74 F75 K76 V80 G81 F82 I91Y44-L78 VanDerWaalsContact CB-CD2 3.45Å; Y44-L78 HydrophobicContact CD2-CD2 4.28Å; Y44-L78 HydrophobicContact CG-CD2 4.1Å; M48-L78 HydrophobicContact CB-CD1 4.36Å; M48-L78 HydrophobicContact CG-CD1 3.46Å; M48-L78 VanDerWaalsContact CG-CD1 3.46Å; N74-L78 PolarHBondContact O-N 3.37Å; F75-L78 HydrophobicContact CD1-CD2 3.89Å; F75-L78 HydrophobicContact CE1-CD2 4.12Å; F75-L78 WeakPolarHBondContact O-CB 3.43Å; F75-L78 PolarHBondContact O-N 2.76Å; K76-L78 VanDerWaalsContact C-N 3.33Å; L78-V80 VanDerWaalsContact C-N 3.28Å; L78-V80 PolarHBondContact O-N 3.48Å; L78-G81 CarbonylContact O-C 3.59Å; L78-G81 WeakPolarHBondContact O-CA 3.42Å; L78-G81 PolarHBondContact O-N 3.39Å; L78-F82 HydrophobicContact CD1-CD1 4.07Å; L78-F82 HydrophobicContact CD1-CE1 3.73Å; L78-F82 HydrophobicContact CG-CD1 4.28Å; L78-F82 HydrophobicContact CG-CE1 4.07Å; L78-F82 PolarHBondContact O-N 2.86Å; L78-I91 HydrophobicContact CB-CD1 4.35Å; L78-I91 HydrophobicContact CD2-CD1 3.69Å; L78-I91 HydrophobicContact CG-CD1 3.69Å
79Q98.3Very high97.7Very high85 Ų8555.2 Ų55.240%0.39727%0.267SS..Hα-helixtrans-58.8-39175.7-74.1177.1-33.100112.2F75 K76 G81 F82 K83 I91F75-Q79 WeakPolarHBondContact O-CG 3.43Å; F75-Q79 PolarHBondContact O-N 2.88Å; K76-Q79 PolarHBondContact O-N 3.07Å; Q79-G81 VanDerWaalsContact C-N 3.34Å; Q79-F82 PolarHBondContact O-N 3.11Å; Q79-K83 WeakPolarHBondContact O-CB 3.49Å; Q79-K83 PolarHBondContact O-N 3.36Å; Q79-I91 HydrophobicContact CG-CD1 3.89Å; Q79-I91 HydrophobicContact CG-CG1 4.47Å
80V97.4Very high97.7Very high85 Ų8556.5 Ų56.552%0.51528%0.276SS..Hα-helixtrans-61.9-43.2173.5170.30000110.8K76 L77 L78 K83 K84K76-V80 WeakPolarHBondContact O-CG2 3.27Å; K76-V80 PolarHBondContact O-N 3.1Å; K76-V80 VanDerWaalsContact O-N 3.11Å; L77-V80 WeakPolarHBondContact O-CB 3.39Å; L77-V80 PolarHBondContact O-N 3.27Å; L78-V80 VanDerWaalsContact C-N 3.28Å; L78-V80 PolarHBondContact O-N 3.48Å; V80-K83 PolarHBondContact O-N 3.43Å; V80-K84 WeakPolarHBondContact O-CB 3.45Å; V80-K84 PolarHBondContact O-N 2.89Å
81G98Very high97.7Very high0 Ų055.3 Ų55.30%027%0.271CS..Hα-helixtrans-61.2-46.1174.600000112.9S55 L77 L78 Q79 K84 M85S55-G81 WeakPolarHBondContact O-CA 3.38Å; L77-G81 PolarHBondContact O-N 2.94Å; L77-G81 VanDerWaalsContact O-N 3.08Å; L78-G81 CarbonylContact O-C 3.59Å; L78-G81 WeakPolarHBondContact O-CA 3.42Å; L78-G81 PolarHBondContact O-N 3.39Å; Q79-G81 VanDerWaalsContact C-N 3.34Å; G81-K84 PolarHBondContact O-N 3.25Å; G81-M85 WeakPolarHBondContact O-CG 3.48Å; G81-M85 PolarHBondContact O-N 3.05Å
82F98.1Very high97.6Very high6 Ų655.7 Ų55.73%0.02628%0.277CS..Hα-helixtrans-58.5-50.5176.7-86.630.2000111.1M48 L78 Q79 K84 M85 G86 V87 K89 I91 F107 W110 F111M48-F82 HydrophobicContact CE-CD1 3.95Å; M48-F82 HydrophobicContact CE-CE1 4.33Å; M48-F82 HydrophobicContact CG-CD1 4.35Å; M48-F82 HydrophobicContact CG-CE1 4.04Å; M48-F82 HydrophobicContact SD-CD1 3.91Å; M48-F82 HydrophobicContact SD-CE1 3.67Å; L78-F82 HydrophobicContact CD1-CD1 4.07Å; L78-F82 HydrophobicContact CD1-CE1 3.73Å; L78-F82 HydrophobicContact CG-CD1 4.28Å; L78-F82 HydrophobicContact CG-CE1 4.07Å; L78-F82 PolarHBondContact O-N 2.86Å; Q79-F82 PolarHBondContact O-N 3.11Å; F82-K84 VanDerWaalsContact C-N 3.32Å; F82-K84 PolarHBondContact O-N 2.99Å; F82-M85 CarbonylContact O-C 3.57Å; F82-M85 PolarHBondContact O-N 3.2Å; F82-G86 PolarHBondContact O-N 3.23Å; F82-V87 HydrophobicContact CB-CB 3.87Å; F82-V87 HydrophobicContact CB-CG1 4.48Å; F82-V87 HydrophobicContact CB-CG2 4.5Å; F82-V87 HydrophobicContact CD1-CB 4.33Å; F82-V87 HydrophobicContact CD1-CG1 4.43Å; F82-V87 HydrophobicContact CD1-CG2 4.38Å; F82-V87 HydrophobicContact CD2-CB 3.88Å; F82-V87 HydrophobicContact CD2-CG1 3.53Å; F82-V87 HydrophobicContact CE2-CG1 3.74Å; F82-V87 HydrophobicContact CG-CB 3.78Å; F82-V87 HydrophobicContact CG-CG1 3.91Å; F82-V87 HydrophobicContact CG-CG2 4.31Å; F82-V87 HydrophobicContact CZ-CG1 4.27Å; F82-V87 PolarHBondContact O-N 3.39Å; F82-K89 HydrophobicContact CE2-CB 4.29Å; F82-I91 HydrophobicContact CD2-CD1 3.69Å; F82-I91 HydrophobicContact CD2-CG1 3.87Å; F82-I91 HydrophobicContact CE2-CD1 3.69Å; F82-I91 HydrophobicContact CE2-CG1 3.74Å; F82-I91 HydrophobicContact CG-CD1 4.14Å; F82-I91 HydrophobicContact CZ-CD1 4.15Å; F82-F107 HydrophobicContact CZ-CZ 4.44Å; F82-W110 AromaticContact CE2-CH2 3.71Å; F82-W110 HydrophobicContact CE2-CH2 3.71Å; F82-W110 AromaticContact CE2-CZ3 3.91Å; F82-W110 HydrophobicContact CE2-CZ3 3.91Å; F82-W110 AromaticContact CZ-CH2 3.78Å; F82-W110 HydrophobicContact CZ-CH2 3.78Å; F82-W110 AromaticContact CZ-CZ3 3.79Å; F82-W110 HydrophobicContact CZ-CZ3 3.79Å; F82-F111 HydrophobicContact CE1-CE2 4.15Å; F82-F111 HydrophobicContact CZ-CD2 4.31Å; F82-F111 HydrophobicContact CZ-CE2 4.09Å
83K97.4Very high97.6Very high184 Ų18454 Ų5480%0.827%0.27SS*.Hα-helixtrans-59.6-42.3177.7-175.2176-178.8176.60112.1Q79 V80 M85 G86Q79-K83 WeakPolarHBondContact O-CB 3.49Å; Q79-K83 PolarHBondContact O-N 3.36Å; V80-K83 PolarHBondContact O-N 3.43Å; K83-M85 VanDerWaalsContact C-N 3.3Å; K83-M85 PolarHBondContact O-N 3.36Å; K83-G86 PolarHBondContact O-N 2.95Å
84K97.4Very high97.5Very high133 Ų13356.2 Ų56.258%0.57828%0.284SS*.Hα-helixtrans-64.6-35.5179.2-176.5173.1174.3-176.60112.2G54 V80 G81 F82G54-K84 PolarHBondContact O-NZ 3.5Å; V80-K84 WeakPolarHBondContact O-CB 3.45Å; V80-K84 PolarHBondContact O-N 2.89Å; G81-K84 PolarHBondContact O-N 3.25Å; F82-K84 VanDerWaalsContact C-N 3.32Å; F82-K84 PolarHBondContact O-N 2.99Å
85M97.6Very high97.5Very high29 Ų2961.3 Ų61.314%0.14331%0.305CS..Hα-helixtrans-90.9-4.2-179.6-63.5-52.3-54.800114.1M1 A2 M48 F52 G81 F82 K83 V87M1-M85 CarbonylContact C-O 3.59Å; M1-M85 WeakPolarHBondContact CA-O 3.27Å; A2-M85 HydrophobicContact CB-CB 4.15Å; A2-M85 PolarHBondContact N-O 2.97Å; M48-M85 HydrophobicContact CE-CB 4.4Å; M48-M85 HydrophobicContact CE-CG 3.99Å; F52-M85 HydrophobicContact CB-CE 3.93Å; F52-M85 HydrophobicContact CB-CG 4.1Å; F52-M85 HydrophobicContact CB-SD 3.84Å; F52-M85 HydrophobicContact CD1-CE 3.35Å; F52-M85 HydrophobicContact CD1-SD 4.4Å; F52-M85 HydrophobicContact CD2-CB 4.46Å; F52-M85 HydrophobicContact CD2-CE 4.03Å; F52-M85 HydrophobicContact CD2-CG 3.85Å; F52-M85 HydrophobicContact CD2-SD 4.44Å; F52-M85 HydrophobicContact CE1-CE 3.76Å; F52-M85 HydrophobicContact CE2-CE 4.39Å; F52-M85 HydrophobicContact CE2-CG 4.47Å; F52-M85 HydrophobicContact CG-CE 3.48Å; F52-M85 VanDerWaalsContact CG-CE 3.48Å; F52-M85 HydrophobicContact CG-CG 4Å; F52-M85 HydrophobicContact CG-SD 3.98Å; F52-M85 HydrophobicContact CZ-CE 4.24Å; G81-M85 WeakPolarHBondContact O-CG 3.48Å; G81-M85 PolarHBondContact O-N 3.05Å; F82-M85 CarbonylContact O-C 3.57Å; F82-M85 PolarHBondContact O-N 3.2Å; K83-M85 VanDerWaalsContact C-N 3.3Å; K83-M85 PolarHBondContact O-N 3.36Å; M85-V87 HydrophobicContact CB-CG2 4.19Å
86G96.7Very high97.5Very high26 Ų2661.3 Ų61.327%0.26831%0.305SS..THydrogen-bonded Turntrans74.929-178.500000113.8N4 F82 K83N4-G86 PolarHBondContact ND2-O 3.47Å; N4-G86 VanDerWaalsContact ND2-O 3.1Å; F82-G86 PolarHBondContact O-N 3.23Å; K83-G86 PolarHBondContact O-N 2.95Å
87V97.6Very high97.5Very high13 Ų1355.5 Ų55.58%0.07928%0.281CS..  trans-78.7123.4174.7-175.30000109A2 N4 F82 M85 K89 W110 F114A2-V87 HydrophobicContact CB-CG2 3.78Å; N4-V87 VanDerWaalsContact OD1-CA 3.27Å; N4-V87 WeakPolarHBondContact OD1-CA 3.41Å; F82-V87 HydrophobicContact CB-CB 3.87Å; F82-V87 HydrophobicContact CB-CG1 4.48Å; F82-V87 HydrophobicContact CB-CG2 4.5Å; F82-V87 HydrophobicContact CD1-CB 4.33Å; F82-V87 HydrophobicContact CD1-CG1 4.43Å; F82-V87 HydrophobicContact CD1-CG2 4.38Å; F82-V87 HydrophobicContact CD2-CB 3.88Å; F82-V87 HydrophobicContact CD2-CG1 3.53Å; F82-V87 HydrophobicContact CE2-CG1 3.74Å; F82-V87 HydrophobicContact CG-CB 3.78Å; F82-V87 HydrophobicContact CG-CG1 3.91Å; F82-V87 HydrophobicContact CG-CG2 4.31Å; F82-V87 HydrophobicContact CZ-CG1 4.27Å; F82-V87 PolarHBondContact O-N 3.39Å; M85-V87 HydrophobicContact CB-CG2 4.19Å; V87-K89 HydrophobicContact CG1-CB 4.15Å; V87-W110 HydrophobicContact CG1-CH2 4.02Å; V87-W110 HydrophobicContact CG1-CZ2 4.32Å; V87-F114 HydrophobicContact CG1-CE2 4.15Å; V87-F114 HydrophobicContact CG1-CZ 4.42Å; V87-F114 HydrophobicContact CG2-CE2 3.75Å; V87-F114 HydrophobicContact CG2-CZ 3.56Å
88D94.4Very high97.4Very high81 Ų8160 Ų6043%0.43330%0.299SS..  trans-92.9-12-174.166.5-8000114N4 Y6 I90N4-D88 PolarHBondContact OD1-N 3.4Å; N4-D88 VanDerWaalsContact OD1-N 3.16Å; N4-D88 PolarHBondContact OD1-OD1 3.13Å; N4-D88 VanDerWaalsContact OD1-OD1 3.11Å; Y6-D88 VanDerWaalsContact CE1-OD2 3.3Å; Y6-D88 WeakPolarHBondContact CE1-OD2 3.38Å; Y6-D88 VanDerWaalsContact CZ-OD2 3.3Å; Y6-D88 PolarHBondContact OH-OD2 3.04Å; D88-I90 PolarHBondContact O-N 2.89Å
89K96.5Very high97.2Very high63 Ų6361 Ų6127%0.27431%0.311SS..PPolyproline II helixtrans-58.7121.9175.4-176.977.4170-151.20111.4F82 V87 F107 W110F82-K89 HydrophobicContact CE2-CB 4.29Å; V87-K89 HydrophobicContact CG1-CB 4.15Å; K89-F107 HydrophobicContact CG-CE2 4.49Å; K89-W110 HydrophobicContact CB-CD2 4.48Å; K89-W110 HydrophobicContact CB-CH2 3.41Å; K89-W110 VanDerWaalsContact CB-CH2 3.41Å; K89-W110 HydrophobicContact CB-CZ2 3.21Å; K89-W110 HydrophobicContact CB-CZ3 4.12Å; K89-W110 HydrophobicContact CD-CD2 3.74Å; K89-W110 HydrophobicContact CD-CE3 4.25Å; K89-W110 HydrophobicContact CD-CG 4.14Å; K89-W110 HydrophobicContact CD-CH2 4.47Å; K89-W110 HydrophobicContact CD-CZ2 3.97Å; K89-W110 HydrophobicContact CG-CD2 3.78Å; K89-W110 HydrophobicContact CG-CE3 3.84Å; K89-W110 HydrophobicContact CG-CH2 3.55Å; K89-W110 HydrophobicContact CG-CZ2 3.46Å; K89-W110 VanDerWaalsContact CG-CZ2 3.46Å; K89-W110 HydrophobicContact CG-CZ3 3.72Å; K89-W110 VanDerWaalsContact NZ-CD1 3.33Å
90I96.3Very high97.1Very high147 Ų14763.2 Ų63.275%0.75432%0.319SS*.PPolyproline II helixtrans-74.2129.1171-58.6175.2000109.2D88 P92D88-I90 PolarHBondContact O-N 2.89Å; I90-P92 WeakPolarHBondContact O-CD 3.43Å
91I97.9Very high97Very high10 Ų1061.6 Ų61.65%0.05131%0.305CS..PPolyproline II helixtrans-90.2116.4176.8-49.6-177.2000108.5F75 L78 Q79 F82 V93 L96 F107F75-I91 HydrophobicContact CD1-CG2 3.86Å; F75-I91 HydrophobicContact CE1-CG2 4.1Å; L78-I91 HydrophobicContact CB-CD1 4.35Å; L78-I91 HydrophobicContact CD2-CD1 3.69Å; L78-I91 HydrophobicContact CG-CD1 3.69Å; Q79-I91 HydrophobicContact CG-CD1 3.89Å; Q79-I91 HydrophobicContact CG-CG1 4.47Å; F82-I91 HydrophobicContact CD2-CD1 3.69Å; F82-I91 HydrophobicContact CD2-CG1 3.87Å; F82-I91 HydrophobicContact CE2-CD1 3.69Å; F82-I91 HydrophobicContact CE2-CG1 3.74Å; F82-I91 HydrophobicContact CG-CD1 4.14Å; F82-I91 HydrophobicContact CZ-CD1 4.15Å; I91-V93 HydrophobicContact CB-CG2 4.22Å; I91-V93 HydrophobicContact CG2-CG2 3.91Å; I91-V93 PolarHBondContact O-N 3.33Å; I91-L96 HydrophobicContact CG2-CD1 3.74Å; I91-F107 HydrophobicContact CB-CE2 4.38Å; I91-F107 HydrophobicContact CB-CZ 4.47Å; I91-F107 HydrophobicContact CD1-CZ 4.46Å; I91-F107 HydrophobicContact CG1-CE2 4.22Å; I91-F107 HydrophobicContact CG1-CZ 4.11Å; I91-F107 HydrophobicContact CG2-CE2 4.07Å; I91-F107 HydrophobicContact CG2-CZ 3.92Å
92P97.4Very high96.8Very high39 Ų3968.8 Ų68.825%0.25334%0.339SS..  trans-78.16717932.3-34.3000111I90 D94 K95 L96I90-P92 WeakPolarHBondContact O-CD 3.43Å; P92-D94 VanDerWaalsContact C-N 3.29Å; P92-D94 PolarHBondContact O-N 3.28Å; P92-K95 HydrophobicContact CB-CB 4.37Å; P92-K95 HydrophobicContact CB-CD 4.33Å; P92-K95 HydrophobicContact CB-CG 4.39Å; P92-K95 PolarHBondContact O-N 2.92Å; P92-L96 HydrophobicContact CG-CD1 4.18Å; P92-L96 HydrophobicContact CG-CG 4.13Å; P92-L96 WeakPolarHBondContact O-CG 3.21Å; P92-L96 PolarHBondContact O-N 3.17Å
93V98.1Very high96.7Very high20 Ų2069.9 Ų69.912%0.12134%0.344CS..Hα-helixtrans-54.9-44.4-170.8179.50000112I72 F75 I91 K95 L96 V97I72-V93 HydrophobicContact CG1-CG1 4.47Å; F75-V93 HydrophobicContact CB-CB 4.45Å; F75-V93 HydrophobicContact CB-CG1 3.76Å; F75-V93 HydrophobicContact CB-CG2 3.86Å; F75-V93 HydrophobicContact CD2-CG1 4.12Å; F75-V93 HydrophobicContact CG-CG1 4.12Å; F75-V93 HydrophobicContact CG-CG2 4.26Å; I91-V93 HydrophobicContact CB-CG2 4.22Å; I91-V93 HydrophobicContact CG2-CG2 3.91Å; I91-V93 PolarHBondContact O-N 3.33Å; V93-K95 PolarHBondContact O-N 3.12Å; V93-L96 PolarHBondContact O-N 2.78Å; V93-V97 HydrophobicContact CG1-CG1 3.9Å; V93-V97 VanDerWaalsContact O-CG1 3.3Å; V93-V97 WeakPolarHBondContact O-CG1 3.46Å; V93-V97 WeakPolarHBondContact O-CG2 3.5Å; V93-V97 PolarHBondContact O-N 3.42Å
94D96.6Very high96.8Very high113 Ų11361.1 Ų61.160%0.60431%0.306SS*.Hα-helixtrans-57.7-31.6179.659.9-50.9000113.4P92 K98P92-D94 VanDerWaalsContact C-N 3.29Å; P92-D94 PolarHBondContact O-N 3.28Å; D94-K98 VanDerWaalsContact O-CG 3.27Å; D94-K98 WeakPolarHBondContact O-CG 3.37Å
95K97.8Very high96.8Very high106 Ų10656.8 Ų56.846%0.46129%0.288SS..Hα-helixtrans-85.3-46.3176.5-57.2-170.1-178.7-176.40112P92 V93 V97 K98 D103P92-K95 HydrophobicContact CB-CB 4.37Å; P92-K95 HydrophobicContact CB-CD 4.33Å; P92-K95 HydrophobicContact CB-CG 4.39Å; P92-K95 PolarHBondContact O-N 2.92Å; V93-K95 PolarHBondContact O-N 3.12Å; K95-V97 PolarHBondContact O-N 3.39Å; K95-K98 WeakPolarHBondContact O-CB 3.35Å; K95-K98 PolarHBondContact O-N 2.86Å; K95-D103 HydrophobicContact CB-CB 4.02Å; K95-D103 VanDerWaalsContact CD-OD1 3.31Å; K95-D103 WeakPolarHBondContact CD-OD1 3.34Å
96L98.4Very high96.7Very high0 Ų061.5 Ų61.50%031%0.309CS..Hα-helixtrans-62.3-44.4-175.2-64.9173000112.1C39 F75 I91 P92 V93 K98 G99 D103 N104 F107C39-L96 WeakPolarHBondContact CB-O 3.31Å; F75-L96 HydrophobicContact CE1-CB 4.41Å; F75-L96 HydrophobicContact CE1-CD1 3.68Å; F75-L96 HydrophobicContact CE2-CB 3.89Å; F75-L96 HydrophobicContact CZ-CB 3.64Å; F75-L96 HydrophobicContact CZ-CD1 3.73Å; F75-L96 HydrophobicContact CZ-CG 4.31Å; I91-L96 HydrophobicContact CG2-CD1 3.74Å; P92-L96 HydrophobicContact CG-CD1 4.18Å; P92-L96 HydrophobicContact CG-CG 4.13Å; P92-L96 WeakPolarHBondContact O-CG 3.21Å; P92-L96 PolarHBondContact O-N 3.17Å; V93-L96 PolarHBondContact O-N 2.78Å; L96-K98 PolarHBondContact O-N 3.32Å; L96-K98 VanDerWaalsContact O-N 3.09Å; L96-G99 PolarHBondContact O-N 3.23Å; L96-D103 HydrophobicContact CD2-CB 4.4Å; L96-D103 VanDerWaalsContact CD2-O 3.31Å; L96-D103 WeakPolarHBondContact CD2-O 3.43Å; L96-N104 HydrophobicContact CD2-CB 4.42Å; L96-N104 PolarHBondContact O-ND2 3.21Å; L96-N104 VanDerWaalsContact O-ND2 3.14Å; L96-F107 HydrophobicContact CD1-CB 4.31Å; L96-F107 HydrophobicContact CD1-CD1 3.87Å; L96-F107 HydrophobicContact CD1-CD2 4.22Å; L96-F107 HydrophobicContact CD1-CE1 4.24Å; L96-F107 HydrophobicContact CD1-CG 3.86Å; L96-F107 HydrophobicContact CD2-CB 3.7Å; L96-F107 HydrophobicContact CD2-CD1 4.46Å; L96-F107 HydrophobicContact CD2-CG 4.16Å
97V98.1Very high96.7Very high6 Ų660.5 Ų60.54%0.03630%0.298CS..THydrogen-bonded Turntrans-65.6-14.5-177.6-60.70000113.5E68 Y71 I72 F75 V93 K95 G99E68-V97 HydrophobicContact CG-CB 3.99Å; E68-V97 HydrophobicContact CG-CG2 3.84Å; Y71-V97 HydrophobicContact CD2-CB 4.46Å; I72-V97 HydrophobicContact CG1-CB 4.42Å; I72-V97 HydrophobicContact CG1-CG1 3.92Å; I72-V97 HydrophobicContact CG1-CG2 4.26Å; F75-V97 HydrophobicContact CD2-CG1 3.46Å; F75-V97 VanDerWaalsContact CD2-CG1 3.46Å; F75-V97 HydrophobicContact CE2-CG1 3.65Å; V93-V97 HydrophobicContact CG1-CG1 3.9Å; V93-V97 VanDerWaalsContact O-CG1 3.3Å; V93-V97 WeakPolarHBondContact O-CG1 3.46Å; V93-V97 WeakPolarHBondContact O-CG2 3.5Å; V93-V97 PolarHBondContact O-N 3.42Å; K95-V97 PolarHBondContact O-N 3.39Å; V97-G99 PolarHBondContact O-N 3.49Å
98K96.9Very high96.8Very high113 Ų11360 Ų6049%0.49129%0.294SS..THydrogen-bonded Turntrans-76.7-6.4174.1-58.3-64.4170-166.60113.2E68 D94 K95 L96 K100E68-K98 IonicContact OE1-NZ 2.75Å; E68-K98 PolarHBondContact OE1-NZ 3.2Å; E68-K98 IonicContact OE2-NZ 2.65Å; E68-K98 PolarHBondContact OE2-NZ 3.19Å; D94-K98 VanDerWaalsContact O-CG 3.27Å; D94-K98 WeakPolarHBondContact O-CG 3.37Å; K95-K98 WeakPolarHBondContact O-CB 3.35Å; K95-K98 PolarHBondContact O-N 2.86Å; L96-K98 PolarHBondContact O-N 3.32Å; L96-K98 VanDerWaalsContact O-N 3.09Å; K98-K100 HydrophobicContact CB-CG 4.25Å; K98-K100 PolarHBondContact O-N 3.04Å
99G94.9Very high96.8Very high23 Ų2357 Ų5724%0.23728%0.278CS..THydrogen-bonded Turntrans65.727.417800000113.3E36 L96 V97E36-G99 WeakPolarHBondContact CB-O 3.21Å; E36-G99 WeakPolarHBondContact CG-O 3.41Å; L96-G99 PolarHBondContact O-N 3.23Å; V97-G99 PolarHBondContact O-N 3.49Å
100K94.8Very high96.8Very high130 Ų13054.9 Ų54.957%0.56527%0.268SS*.  trans-77.8134.8174.8-67.3-171.4175.7-171.60110.4K98 N104K98-K100 HydrophobicContact CB-CG 4.25Å; K98-K100 PolarHBondContact O-N 3.04Å; K100-N104 WeakPolarHBondContact O-CB 3.44Å; K100-N104 PolarHBondContact O-N 2.96Å; K100-N104 PolarHBondContact O-ND2 2.87Å
101F95.6Very high96.9Very high52 Ų5247.9 Ų47.923%0.22823%0.232CC..Hα-helixtrans-55.9-55.4-178.7177.3-99.6000112.4R17 I35 E36 D103 N104 F105R17-F101 HydrophobicContact CG-CE2 4.29Å; I35-F101 HydrophobicContact CB-CD2 4.02Å; I35-F101 HydrophobicContact CB-CE2 3.91Å; I35-F101 HydrophobicContact CG1-CE2 3.96Å; I35-F101 HydrophobicContact CG2-CD2 4.37Å; I35-F101 HydrophobicContact CG2-CE2 4.35Å; E36-F101 HydrophobicContact CG-CB 4.17Å; F101-D103 PolarHBondContact O-N 3.31Å; F101-N104 PolarHBondContact O-N 3.05Å; F101-F105 HydrophobicContact CE1-CB 4.2Å; F101-F105 HydrophobicContact CE1-CD1 4.2Å; F101-F105 HydrophobicContact CE1-CG 4.28Å; F101-F105 HydrophobicContact CE2-CB 4.38Å; F101-F105 HydrophobicContact CE2-CG 4.39Å; F101-F105 HydrophobicContact CZ-CB 4.1Å; F101-F105 HydrophobicContact CZ-CD1 4.02Å; F101-F105 HydrophobicContact CZ-CD2 4.31Å; F101-F105 AromaticContact CZ-CG 3.89Å; F101-F105 HydrophobicContact CZ-CG 3.89Å; F101-F105 VanDerWaalsContact O-CB 3.26Å; F101-F105 WeakPolarHBondContact O-CB 3.34Å; F101-F105 PolarHBondContact O-N 3.28Å
102Q94.5Very high96.9Very high151 Ų15148.6 Ų48.671%0.70624%0.235SC*.Hα-helixtrans-56.9-51.4-173.2-176.6176-21.100112.7N104 F105 E106Q102-N104 PolarHBondContact O-N 3.27Å; Q102-F105 PolarHBondContact O-N 2.81Å; Q102-E106 WeakPolarHBondContact O-CB 3.45Å; Q102-E106 PolarHBondContact O-N 3.44Å
103D96.5Very high96.7Very high28 Ų2848.6 Ų48.615%0.1523%0.231CC..Hα-helixtrans-63.9-41.6-179.3-61.4-64.5000111.9K95 L96 F101 F107K95-D103 HydrophobicContact CB-CB 4.02Å; K95-D103 VanDerWaalsContact CD-OD1 3.31Å; K95-D103 WeakPolarHBondContact CD-OD1 3.34Å; L96-D103 HydrophobicContact CD2-CB 4.4Å; L96-D103 VanDerWaalsContact CD2-O 3.31Å; L96-D103 WeakPolarHBondContact CD2-O 3.43Å; F101-D103 PolarHBondContact O-N 3.31Å; D103-F107 WeakPolarHBondContact O-CB 3.37Å; D103-F107 PolarHBondContact O-N 3.28Å; D103-F107 VanDerWaalsContact O-N 3.15Å
104N98Very high96.7Very high0 Ų047.7 Ų47.70%023%0.225CC..Hα-helixtrans-69-37.9178.2-79.8-84.3000111.6I35 C39 L96 K100 F101 Q102 F107 V108I35-N104 HydrophobicContact CG2-CB 3.99Å; C39-N104 PolarHBondContact N-OD1 2.91Å; L96-N104 HydrophobicContact CD2-CB 4.42Å; L96-N104 PolarHBondContact O-ND2 3.21Å; L96-N104 VanDerWaalsContact O-ND2 3.14Å; K100-N104 WeakPolarHBondContact O-CB 3.44Å; K100-N104 PolarHBondContact O-N 2.96Å; K100-N104 PolarHBondContact O-ND2 2.87Å; F101-N104 PolarHBondContact O-N 3.05Å; Q102-N104 PolarHBondContact O-N 3.27Å; N104-F107 PolarHBondContact O-N 3.26Å; N104-V108 WeakPolarHBondContact O-CG1 3.44Å; N104-V108 PolarHBondContact O-N 3.01Å
105F97.1Very high96.7Very high43 Ų4342.7 Ų42.719%0.18920%0.198CC..Hα-helixtrans-70.5-42.8-179.8-164.4-125.4000111.5R17 M20 I35 F101 Q102 F107 V108 Q109R17-F105 HydrophobicContact CB-CE2 4.35Å; R17-F105 HydrophobicContact CB-CZ 4.43Å; M20-F105 HydrophobicContact CB-CE2 4.42Å; I35-F105 HydrophobicContact CD1-CD2 4.08Å; I35-F105 HydrophobicContact CD1-CE2 4.35Å; I35-F105 HydrophobicContact CG1-CD2 4Å; I35-F105 HydrophobicContact CG1-CE2 4.47Å; I35-F105 HydrophobicContact CG2-CB 3.99Å; I35-F105 HydrophobicContact CG2-CD2 4.04Å; I35-F105 HydrophobicContact CG2-CG 4.49Å; F101-F105 HydrophobicContact CE1-CB 4.2Å; F101-F105 HydrophobicContact CE1-CD1 4.2Å; F101-F105 HydrophobicContact CE1-CG 4.28Å; F101-F105 HydrophobicContact CE2-CB 4.38Å; F101-F105 HydrophobicContact CE2-CG 4.39Å; F101-F105 HydrophobicContact CZ-CB 4.1Å; F101-F105 HydrophobicContact CZ-CD1 4.02Å; F101-F105 HydrophobicContact CZ-CD2 4.31Å; F101-F105 AromaticContact CZ-CG 3.89Å; F101-F105 HydrophobicContact CZ-CG 3.89Å; F101-F105 VanDerWaalsContact O-CB 3.26Å; F101-F105 WeakPolarHBondContact O-CB 3.34Å; F101-F105 PolarHBondContact O-N 3.28Å; Q102-F105 PolarHBondContact O-N 2.81Å; F105-F107 VanDerWaalsContact C-N 3.33Å; F105-F107 PolarHBondContact O-N 3.02Å; F105-V108 HydrophobicContact CD2-CG1 4.04Å; F105-V108 WeakPolarHBondContact O-CG1 3.5Å; F105-V108 PolarHBondContact O-N 3.45Å; F105-Q109 HydrophobicContact CE1-CG 4.45Å; F105-Q109 HydrophobicContact CE2-CG 4.49Å; F105-Q109 HydrophobicContact CZ-CG 4.41Å; F105-Q109 WeakPolarHBondContact O-CB 3.42Å; F105-Q109 WeakPolarHBondContact O-CG 3.2Å; F105-Q109 PolarHBondContact O-N 2.99Å
106E96Very high96.6Very high128 Ų12841.4 Ų41.460%0.59820%0.196SC*.Hα-helixtrans-58.7-45.8173.5-172.3-170160.300111.4Q102 Q109 W110Q102-E106 WeakPolarHBondContact O-CB 3.45Å; Q102-E106 PolarHBondContact O-N 3.44Å; E106-Q109 PolarHBondContact O-N 3.12Å; E106-W110 PolarHBondContact O-N 2.97Å
107F97.9Very high96.5Very high5 Ų543.7 Ų43.72%0.02222%0.215CC..Hα-helixtrans-67.3-42.4-178.7-173.1-102.8000112.5Y44 F82 K89 I91 L96 D103 N104 F105 W110 F111Y44-F107 HydrophobicContact CD1-CE1 4.1Å; Y44-F107 HydrophobicContact CD2-CE1 4.11Å; Y44-F107 AromaticContact CE1-CD1 3.93Å; Y44-F107 HydrophobicContact CE1-CD1 3.93Å; Y44-F107 AromaticContact CE1-CE1 3.93Å; Y44-F107 HydrophobicContact CE1-CE1 3.93Å; Y44-F107 AromaticContact CE2-CD1 3.91Å; Y44-F107 HydrophobicContact CE2-CD1 3.91Å; Y44-F107 AromaticContact CE2-CE1 3.96Å; Y44-F107 HydrophobicContact CE2-CE1 3.96Å; Y44-F107 HydrophobicContact CG-CE1 4.2Å; Y44-F107 AromaticContact CZ-CD1 3.57Å; Y44-F107 AromaticContact CZ-CE1 3.86Å; F82-F107 HydrophobicContact CZ-CZ 4.44Å; K89-F107 HydrophobicContact CG-CE2 4.49Å; I91-F107 HydrophobicContact CB-CE2 4.38Å; I91-F107 HydrophobicContact CB-CZ 4.47Å; I91-F107 HydrophobicContact CD1-CZ 4.46Å; I91-F107 HydrophobicContact CG1-CE2 4.22Å; I91-F107 HydrophobicContact CG1-CZ 4.11Å; I91-F107 HydrophobicContact CG2-CE2 4.07Å; I91-F107 HydrophobicContact CG2-CZ 3.92Å; L96-F107 HydrophobicContact CD1-CB 4.31Å; L96-F107 HydrophobicContact CD1-CD1 3.87Å; L96-F107 HydrophobicContact CD1-CD2 4.22Å; L96-F107 HydrophobicContact CD1-CE1 4.24Å; L96-F107 HydrophobicContact CD1-CG 3.86Å; L96-F107 HydrophobicContact CD2-CB 3.7Å; L96-F107 HydrophobicContact CD2-CD1 4.46Å; L96-F107 HydrophobicContact CD2-CG 4.16Å; D103-F107 WeakPolarHBondContact O-CB 3.37Å; D103-F107 PolarHBondContact O-N 3.28Å; D103-F107 VanDerWaalsContact O-N 3.15Å; N104-F107 PolarHBondContact O-N 3.26Å; F105-F107 VanDerWaalsContact C-N 3.33Å; F105-F107 PolarHBondContact O-N 3.02Å; F107-W110 HydrophobicContact CD2-CE3 4.36Å; F107-W110 HydrophobicContact CE2-CE3 4.01Å; F107-W110 HydrophobicContact CE2-CZ3 4.06Å; F107-W110 HydrophobicContact CZ-CE3 4.36Å; F107-W110 HydrophobicContact CZ-CZ3 4.12Å; F107-W110 PolarHBondContact O-N 3.11Å; F107-F111 HydrophobicContact CE1-CD2 4.19Å; F107-F111 HydrophobicContact CZ-CD2 4.42Å; F107-F111 WeakPolarHBondContact O-CB 3.27Å; F107-F111 PolarHBondContact O-N 2.64Å
108V98.1Very high96.4Very high1 Ų144.4 Ų44.41%0.00622%0.219CC..Hα-helixtrans-69.4-32.6179.574.20000112.4M20 W23 I24 I35 L38 Y44 N104 F105 F111 K112M20-V108 HydrophobicContact CE-CG1 4.11Å; M20-V108 HydrophobicContact CE-CG2 4.44Å; M20-V108 HydrophobicContact CG-CG1 3.87Å; M20-V108 HydrophobicContact CG-CG2 4.02Å; M20-V108 HydrophobicContact SD-CG1 4.16Å; M20-V108 HydrophobicContact SD-CG2 3.69Å; W23-V108 HydrophobicContact CZ3-CG2 4.38Å; I24-V108 HydrophobicContact CD1-CG2 3.92Å; I35-V108 HydrophobicContact CG2-CG1 4.49Å; L38-V108 HydrophobicContact CD1-CB 3.74Å; L38-V108 HydrophobicContact CD1-CG1 4.08Å; L38-V108 HydrophobicContact CD1-CG2 3.58Å; Y44-V108 HydrophobicContact CE1-CB 4.4Å; Y44-V108 HydrophobicContact CE1-CG2 4.21Å; N104-V108 WeakPolarHBondContact O-CG1 3.44Å; N104-V108 PolarHBondContact O-N 3.01Å; F105-V108 HydrophobicContact CD2-CG1 4.04Å; F105-V108 WeakPolarHBondContact O-CG1 3.5Å; F105-V108 PolarHBondContact O-N 3.45Å; V108-F111 PolarHBondContact O-N 3.14Å; V108-K112 WeakPolarHBondContact O-CB 3.3Å; V108-K112 PolarHBondContact O-N 3.24Å
109Q95.8Very high96.4Very high20 Ų2043.1 Ų43.19%0.09321%0.212CC..Hα-helixtrans-60-48.3172.7-71.6-75.718.400111.4L15 M20 F105 E106 F111 K112 K113L15-Q109 PolarHBondContact O-NE2 3.19Å; M20-Q109 HydrophobicContact CE-CG 4.2Å; M20-Q109 VanDerWaalsContact CE-OE1 3.27Å; F105-Q109 HydrophobicContact CE1-CG 4.45Å; F105-Q109 HydrophobicContact CE2-CG 4.49Å; F105-Q109 HydrophobicContact CZ-CG 4.41Å; F105-Q109 WeakPolarHBondContact O-CB 3.42Å; F105-Q109 WeakPolarHBondContact O-CG 3.2Å; F105-Q109 PolarHBondContact O-N 2.99Å; E106-Q109 PolarHBondContact O-N 3.12Å; Q109-F111 VanDerWaalsContact C-N 3.33Å; Q109-F111 PolarHBondContact O-N 3.41Å; Q109-K112 PolarHBondContact O-N 2.97Å; Q109-K113 PolarHBondContact O-N 3.36Å
110W96.6Very high96.3Very high17 Ų1747.1 Ų47.16%0.06423%0.228CC..Hα-helixtrans-61.5-43.7173.3171.182000111.4V5 F82 V87 K89 E106 F107 K112 K113 F114V5-W110 PolarHBondContact O-NE1 3.39Å; F82-W110 AromaticContact CE2-CH2 3.71Å; F82-W110 HydrophobicContact CE2-CH2 3.71Å; F82-W110 AromaticContact CE2-CZ3 3.91Å; F82-W110 HydrophobicContact CE2-CZ3 3.91Å; F82-W110 AromaticContact CZ-CH2 3.78Å; F82-W110 HydrophobicContact CZ-CH2 3.78Å; F82-W110 AromaticContact CZ-CZ3 3.79Å; F82-W110 HydrophobicContact CZ-CZ3 3.79Å; V87-W110 HydrophobicContact CG1-CH2 4.02Å; V87-W110 HydrophobicContact CG1-CZ2 4.32Å; K89-W110 HydrophobicContact CB-CD2 4.48Å; K89-W110 HydrophobicContact CB-CH2 3.41Å; K89-W110 VanDerWaalsContact CB-CH2 3.41Å; K89-W110 HydrophobicContact CB-CZ2 3.21Å; K89-W110 HydrophobicContact CB-CZ3 4.12Å; K89-W110 HydrophobicContact CD-CD2 3.74Å; K89-W110 HydrophobicContact CD-CE3 4.25Å; K89-W110 HydrophobicContact CD-CG 4.14Å; K89-W110 HydrophobicContact CD-CH2 4.47Å; K89-W110 HydrophobicContact CD-CZ2 3.97Å; K89-W110 HydrophobicContact CG-CD2 3.78Å; K89-W110 HydrophobicContact CG-CE3 3.84Å; K89-W110 HydrophobicContact CG-CH2 3.55Å; K89-W110 HydrophobicContact CG-CZ2 3.46Å; K89-W110 VanDerWaalsContact CG-CZ2 3.46Å; K89-W110 HydrophobicContact CG-CZ3 3.72Å; K89-W110 VanDerWaalsContact NZ-CD1 3.33Å; E106-W110 PolarHBondContact O-N 2.97Å; F107-W110 HydrophobicContact CD2-CE3 4.36Å; F107-W110 HydrophobicContact CE2-CE3 4.01Å; F107-W110 HydrophobicContact CE2-CZ3 4.06Å; F107-W110 HydrophobicContact CZ-CE3 4.36Å; F107-W110 HydrophobicContact CZ-CZ3 4.12Å; F107-W110 PolarHBondContact O-N 3.11Å; W110-K112 VanDerWaalsContact C-N 3.31Å; W110-K112 PolarHBondContact O-N 3.18Å; W110-K113 PolarHBondContact O-N 3.35Å; W110-F114 HydrophobicContact CH2-CB 4.08Å; W110-F114 HydrophobicContact CH2-CD1 4.41Å; W110-F114 HydrophobicContact CH2-CD2 4.28Å; W110-F114 AromaticContact CH2-CG 3.99Å; W110-F114 HydrophobicContact CH2-CG 3.99Å; W110-F114 HydrophobicContact CZ2-CB 4Å; W110-F114 HydrophobicContact CZ2-CD2 4.18Å; W110-F114 HydrophobicContact CZ2-CG 4.15Å; W110-F114 HydrophobicContact CZ3-CB 4.47Å; W110-F114 PolarHBondContact O-N 3.11Å
111F97.9Very high96.3Very high0 Ų043.5 Ų43.50%023%0.227CC..Hα-helixtrans-63.5-37-178-166.5-81.2000111.9W23 Y44 F47 M48 F82 F107 V108 Q109 F114 F115W23-F111 HydrophobicContact CH2-CD1 4.48Å; Y44-F111 HydrophobicContact CD1-CB 4.4Å; Y44-F111 AromaticContact CD1-CD1 3.96Å; Y44-F111 HydrophobicContact CD1-CD1 3.96Å; Y44-F111 AromaticContact CD1-CD2 3.64Å; Y44-F111 HydrophobicContact CD1-CD2 3.64Å; Y44-F111 HydrophobicContact CD1-CE1 4.13Å; Y44-F111 AromaticContact CD1-CE2 3.82Å; Y44-F111 HydrophobicContact CD1-CE2 3.82Å; Y44-F111 AromaticContact CD1-CG 3.72Å; Y44-F111 HydrophobicContact CD1-CG 3.72Å; Y44-F111 HydrophobicContact CD1-CZ 4.07Å; Y44-F111 HydrophobicContact CE1-CB 4.15Å; Y44-F111 HydrophobicContact CE1-CD1 4.33Å; Y44-F111 HydrophobicContact CE1-CD2 4.19Å; Y44-F111 AromaticContact CE1-CG 3.96Å; Y44-F111 HydrophobicContact CE1-CG 3.96Å; Y44-F111 HydrophobicContact CG-CD2 4.44Å; Y44-F111 HydrophobicContact CG-CE2 4.34Å; F47-F111 HydrophobicContact CB-CE1 3.52Å; F47-F111 HydrophobicContact CB-CZ 3.72Å; F47-F111 HydrophobicContact CD2-CD1 4.49Å; F47-F111 AromaticContact CD2-CE1 3.84Å; F47-F111 HydrophobicContact CD2-CE1 3.84Å; F47-F111 AromaticContact CG-CE1 3.93Å; F47-F111 HydrophobicContact CG-CE1 3.93Å; M48-F111 HydrophobicContact CG-CZ 4.43Å; F82-F111 HydrophobicContact CE1-CE2 4.15Å; F82-F111 HydrophobicContact CZ-CD2 4.31Å; F82-F111 HydrophobicContact CZ-CE2 4.09Å; F107-F111 HydrophobicContact CE1-CD2 4.19Å; F107-F111 HydrophobicContact CZ-CD2 4.42Å; F107-F111 WeakPolarHBondContact O-CB 3.27Å; F107-F111 PolarHBondContact O-N 2.64Å; V108-F111 PolarHBondContact O-N 3.14Å; Q109-F111 VanDerWaalsContact C-N 3.33Å; Q109-F111 PolarHBondContact O-N 3.41Å; F111-F114 WeakPolarHBondContact O-CB 3.19Å; F111-F114 PolarHBondContact O-N 2.53Å; F111-F115 WeakPolarHBondContact O-CB 3.3Å; F111-F115 PolarHBondContact O-N 3.16Å
112K96.8Very high96.2Very high26 Ų2644.1 Ų44.111%0.11323%0.23CC..Hα-helixtrans-61.8-47174.4177.256.2163.2820111.5L15 M20 W23 V108 Q109 W110 F114 F115 D116L15-K112 HydrophobicContact CD1-CG 3.87Å; M20-K112 HydrophobicContact CE-CB 4Å; M20-K112 HydrophobicContact CE-CG 4.44Å; M20-K112 HydrophobicContact SD-CB 4.2Å; W23-K112 HydrophobicContact CD2-CD 3.58Å; W23-K112 VanDerWaalsContact CE2-CD 3.45Å; W23-K112 HydrophobicContact CE3-CD 3.67Å; W23-K112 HydrophobicContact CE3-CG 4.42Å; W23-K112 HydrophobicContact CG-CD 4.34Å; W23-K112 HydrophobicContact CH2-CB 4.19Å; W23-K112 HydrophobicContact CH2-CD 3.59Å; W23-K112 HydrophobicContact CH2-CG 4.48Å; W23-K112 HydrophobicContact CZ2-CD 3.48Å; W23-K112 VanDerWaalsContact CZ2-CD 3.48Å; W23-K112 HydrophobicContact CZ3-CB 4Å; W23-K112 HydrophobicContact CZ3-CD 3.68Å; W23-K112 HydrophobicContact CZ3-CG 4.31Å; V108-K112 WeakPolarHBondContact O-CB 3.3Å; V108-K112 PolarHBondContact O-N 3.24Å; Q109-K112 PolarHBondContact O-N 2.97Å; W110-K112 VanDerWaalsContact C-N 3.31Å; W110-K112 PolarHBondContact O-N 3.18Å; K112-F114 VanDerWaalsContact C-N 3.3Å; K112-F114 PolarHBondContact O-N 3.11Å; K112-F115 WeakPolarHBondContact O-CB 3.4Å; K112-F115 PolarHBondContact O-N 3.22Å; K112-F115 VanDerWaalsContact O-N 3.12Å; K112-D116 IonicContact NZ-OD1 2.73Å; K112-D116 PolarHBondContact NZ-OD1 3.07Å; K112-D116 IonicContact NZ-OD2 3.91Å; K112-D116 PolarHBondContact NZ-OD2 2.94Å; K112-D116 VanDerWaalsContact O-CG 3.3Å; K112-D116 PolarHBondContact O-N 2.84Å
113K95Very high96.2Very high39 Ų3946.4 Ų46.417%0.1724%0.24CC..Hα-helixtrans-61.4-41175.7-64.7-179.4173.9-169.60111.5V5 T11 S12 N14 Q109 W110 A117V5-K113 HydrophobicContact CG1-CB 4.02Å; T11-K113 PolarHBondContact O-NZ 3.28Å; T11-K113 PolarHBondContact OG1-NZ 2.97Å; S12-K113 WeakPolarHBondContact O-CE 3.37Å; S12-K113 PolarHBondContact O-NZ 2.72Å; N14-K113 WeakPolarHBondContact OD1-CE 3.4Å; N14-K113 PolarHBondContact OD1-NZ 3.49Å; Q109-K113 PolarHBondContact O-N 3.36Å; W110-K113 PolarHBondContact O-N 3.35Å; K113-A117 WeakPolarHBondContact O-CB 3.13Å; K113-A117 PolarHBondContact O-N 3.06Å; K113-A117 VanDerWaalsContact O-N 3.13Å
114F96.7Very high96.2Very high0 Ų047.2 Ų47.20%024%0.242CC..Hα-helixtrans-61.2-43172.8171.9-101.4000112.1A2 V3 M48 L51 F52 V87 W110 F111 K112 A117 N118A2-F114 HydrophobicContact CB-CE2 3.88Å; A2-F114 HydrophobicContact CB-CZ 3.92Å; V3-F114 WeakPolarHBondContact O-CE2 3.22Å; M48-F114 HydrophobicContact SD-CE1 3.9Å; M48-F114 HydrophobicContact SD-CZ 4.39Å; L51-F114 HydrophobicContact CD1-CD1 4.14Å; L51-F114 HydrophobicContact CD1-CE1 3.71Å; F52-F114 HydrophobicContact CE2-CE1 4.41Å; F52-F114 AromaticContact CE2-CZ 3.97Å; F52-F114 HydrophobicContact CE2-CZ 3.97Å; V87-F114 HydrophobicContact CG1-CE2 4.15Å; V87-F114 HydrophobicContact CG1-CZ 4.42Å; V87-F114 HydrophobicContact CG2-CE2 3.75Å; V87-F114 HydrophobicContact CG2-CZ 3.56Å; W110-F114 HydrophobicContact CH2-CB 4.08Å; W110-F114 HydrophobicContact CH2-CD1 4.41Å; W110-F114 HydrophobicContact CH2-CD2 4.28Å; W110-F114 AromaticContact CH2-CG 3.99Å; W110-F114 HydrophobicContact CH2-CG 3.99Å; W110-F114 HydrophobicContact CZ2-CB 4Å; W110-F114 HydrophobicContact CZ2-CD2 4.18Å; W110-F114 HydrophobicContact CZ2-CG 4.15Å; W110-F114 HydrophobicContact CZ3-CB 4.47Å; W110-F114 PolarHBondContact O-N 3.11Å; F111-F114 WeakPolarHBondContact O-CB 3.19Å; F111-F114 PolarHBondContact O-N 2.53Å; K112-F114 VanDerWaalsContact C-N 3.3Å; K112-F114 PolarHBondContact O-N 3.11Å; F114-A117 PolarHBondContact O-N 3.24Å; F114-N118 WeakPolarHBondContact CD2-ND2 3.37Å; F114-N118 WeakPolarHBondContact CE2-ND2 3.5Å; F114-N118 PolarHBondContact O-N 3.16Å; F114-N118 PolarHBondContact O-ND2 3.39Å
115F97.3Very high96Very high8 Ų851.5 Ų51.54%0.03527%0.265CS..Hα-helixtrans-61.4-50.6177.3-177-84.6000111.1W23 F47 M50 L51 F111 K112 A117 N118 Y119W23-F115 HydrophobicContact CH2-CB 4.42Å; W23-F115 HydrophobicContact CH2-CG 4.49Å; W23-F115 HydrophobicContact CZ2-CB 4.18Å; W23-F115 AromaticContact CZ2-CD1 3.87Å; W23-F115 HydrophobicContact CZ2-CD1 3.87Å; W23-F115 HydrophobicContact CZ2-CD2 4.28Å; W23-F115 HydrophobicContact CZ2-CE1 4.37Å; W23-F115 AromaticContact CZ2-CG 3.84Å; W23-F115 HydrophobicContact CZ2-CG 3.84Å; F47-F115 HydrophobicContact CB-CD2 4.38Å; F47-F115 AromaticContact CD1-CD2 3.84Å; F47-F115 HydrophobicContact CD1-CD2 3.84Å; F47-F115 AromaticContact CD1-CE2 3.52Å; F47-F115 HydrophobicContact CD1-CE2 3.52Å; F47-F115 HydrophobicContact CD1-CZ 4.34Å; F47-F115 HydrophobicContact CE1-CD2 4.4Å; F47-F115 HydrophobicContact CE1-CE2 4.03Å; F47-F115 HydrophobicContact CE1-CZ 4.46Å; F47-F115 HydrophobicContact CG-CD2 4.29Å; F47-F115 HydrophobicContact CG-CE2 4.36Å; M50-F115 HydrophobicContact CG-CE2 4.4Å; M50-F115 HydrophobicContact SD-CE2 3.57Å; M50-F115 VanDerWaalsContact SD-CE2 3.57Å; M50-F115 HydrophobicContact SD-CZ 3.51Å; M50-F115 VanDerWaalsContact SD-CZ 3.51Å; L51-F115 HydrophobicContact CD1-CB 4.48Å; L51-F115 HydrophobicContact CD1-CD2 3.78Å; L51-F115 HydrophobicContact CD1-CE2 4.43Å; L51-F115 HydrophobicContact CD1-CG 4.46Å; L51-F115 HydrophobicContact CD2-CD2 3.58Å; L51-F115 HydrophobicContact CD2-CE2 3.65Å; L51-F115 HydrophobicContact CD2-CG 4.1Å; L51-F115 HydrophobicContact CD2-CZ 4.25Å; L51-F115 HydrophobicContact CG-CD2 3.65Å; L51-F115 HydrophobicContact CG-CE2 3.81Å; F111-F115 WeakPolarHBondContact O-CB 3.3Å; F111-F115 PolarHBondContact O-N 3.16Å; K112-F115 WeakPolarHBondContact O-CB 3.4Å; K112-F115 PolarHBondContact O-N 3.22Å; K112-F115 VanDerWaalsContact O-N 3.12Å; F115-A117 VanDerWaalsContact C-N 3.27Å; F115-A117 PolarHBondContact O-N 3.31Å; F115-N118 CarbonylContact O-C 3.6Å; F115-N118 PolarHBondContact O-N 3Å; F115-Y119 HydrophobicContact CD1-CG 4.48Å; F115-Y119 AromaticContact CE1-CD1 3.92Å; F115-Y119 HydrophobicContact CE1-CD1 3.92Å; F115-Y119 HydrophobicContact CE1-CD2 4.01Å; F115-Y119 AromaticContact CE1-CG 3.61Å; F115-Y119 HydrophobicContact CE1-CG 3.61Å; F115-Y119 HydrophobicContact CE2-CD2 4.24Å; F115-Y119 HydrophobicContact CZ-CD1 4.2Å; F115-Y119 AromaticContact CZ-CD2 3.53Å; F115-Y119 HydrophobicContact CZ-CD2 3.53Å; F115-Y119 AromaticContact CZ-CE2 3.94Å; F115-Y119 HydrophobicContact CZ-CE2 3.94Å; F115-Y119 AromaticContact CZ-CG 3.66Å; F115-Y119 HydrophobicContact CZ-CG 3.66Å; F115-Y119 WeakPolarHBondContact O-CB 3.37Å; F115-Y119 PolarHBondContact O-N 3.37Å
116D95.6Very high95.9Very high79 Ų7949.7 Ų49.742%0.42226%0.257SS..Hα-helixtrans-60.9-35.8-178.9-65.8-20.5000112.7K112 N118K112-D116 IonicContact NZ-OD1 2.73Å; K112-D116 PolarHBondContact NZ-OD1 3.07Å; K112-D116 IonicContact NZ-OD2 3.91Å; K112-D116 PolarHBondContact NZ-OD2 2.94Å; K112-D116 VanDerWaalsContact O-CG 3.3Å; K112-D116 PolarHBondContact O-N 2.84Å; D116-N118 PolarHBondContact O-N 3.33Å
117A95.3Very high95.8Very high48 Ų4846.8 Ų46.840%0.39725%0.248SC..Hα-helixtrans-71.5-17.1177.500000113.8V3 V5 K113 F114 F115V3-A117 HydrophobicContact CG1-CB 4.45Å; V5-A117 HydrophobicContact CG2-CB 3.61Å; K113-A117 WeakPolarHBondContact O-CB 3.13Å; K113-A117 PolarHBondContact O-N 3.06Å; K113-A117 VanDerWaalsContact O-N 3.13Å; F114-A117 PolarHBondContact O-N 3.24Å; F115-A117 VanDerWaalsContact C-N 3.27Å; F115-A117 PolarHBondContact O-N 3.31Å
118N96.8Very high95.5Very high21 Ų2149.1 Ų49.111%0.11227%0.269CS..Hα-helixtrans-120.5-15.1-172.1-74.2-82.7000114.3A2 V3 L51 F52 F114 F115 D116 D120A2-N118 WeakPolarHBondContact CA-OD1 3.42Å; V3-N118 PolarHBondContact N-OD1 3.48Å; V3-N118 PolarHBondContact O-ND2 2.99Å; L51-N118 HydrophobicContact CD1-CB 4.44Å; L51-N118 HydrophobicContact CD2-CB 4.02Å; F52-N118 HydrophobicContact CE2-CB 4.44Å; F52-N118 HydrophobicContact CZ-CB 3.78Å; F52-N118 WeakPolarHBondContact CZ-OD1 3.45Å; F114-N118 WeakPolarHBondContact CD2-ND2 3.37Å; F114-N118 WeakPolarHBondContact CE2-ND2 3.5Å; F114-N118 PolarHBondContact O-N 3.16Å; F114-N118 PolarHBondContact O-ND2 3.39Å; F115-N118 CarbonylContact O-C 3.6Å; F115-N118 PolarHBondContact O-N 3Å; D116-N118 PolarHBondContact O-N 3.33Å; N118-D120 PolarHBondContact O-N 3.26Å
119Y96.7Very high95.2Very high87 Ų8753 Ų5334%0.34129%0.287SS..  trans-75.8126.2-178.9-170.2-121.4000110.5M50 L51 F115 K122M50-Y119 HydrophobicContact CG-CE2 4.01Å; M50-Y119 HydrophobicContact SD-CE2 4.07Å; L51-Y119 HydrophobicContact CD2-CD2 4.09Å; L51-Y119 HydrophobicContact CD2-CG 4.44Å; F115-Y119 HydrophobicContact CD1-CG 4.48Å; F115-Y119 AromaticContact CE1-CD1 3.92Å; F115-Y119 HydrophobicContact CE1-CD1 3.92Å; F115-Y119 HydrophobicContact CE1-CD2 4.01Å; F115-Y119 AromaticContact CE1-CG 3.61Å; F115-Y119 HydrophobicContact CE1-CG 3.61Å; F115-Y119 HydrophobicContact CE2-CD2 4.24Å; F115-Y119 HydrophobicContact CZ-CD1 4.2Å; F115-Y119 AromaticContact CZ-CD2 3.53Å; F115-Y119 HydrophobicContact CZ-CD2 3.53Å; F115-Y119 AromaticContact CZ-CE2 3.94Å; F115-Y119 HydrophobicContact CZ-CE2 3.94Å; F115-Y119 AromaticContact CZ-CG 3.66Å; F115-Y119 HydrophobicContact CZ-CG 3.66Å; F115-Y119 WeakPolarHBondContact O-CB 3.37Å; F115-Y119 PolarHBondContact O-N 3.37Å; Y119-K122 HydrophobicContact CE2-CG 4.42Å; Y119-K122 PolarHBondContact OH-O 3.04Å
120D94.3Very high95.1Very high107 Ų10752.6 Ų52.657%0.57229%0.285SS*.  trans-98.86-177.259.312000112.8N118 K122N118-D120 PolarHBondContact O-N 3.26Å; D120-K122 WeakPolarHBondContact OD1-CB 3.41Å; D120-K122 WeakPolarHBondContact OD1-CE 3.46Å; D120-K122 PolarHBondContact OD1-N 3.49Å; D120-K122 IonicContact OD1-NZ 3.6Å; D120-K122 WeakPolarHBondContact OD2-CE 3.44Å; D120-K122 IonicContact OD2-NZ 2.89Å; D120-K122 PolarHBondContact OD2-NZ 2.97Å
121G93.9Very high94.5Very high54 Ų5458.3 Ų58.356%0.55731%0.313SS*.  trans81.59.8-18000000115.2
122K93.1Very high93.4Very high64 Ų6461.5 Ų61.528%0.27835%0.345SS..  trans-59.8143.417976.6-168.173.2176.40112.4M50 L51 Y119 D120M50-K122 WeakPolarHBondContact O-CD 3.14Å; L51-K122 PolarHBondContact O-NZ 3.44Å; Y119-K122 HydrophobicContact CE2-CG 4.42Å; Y119-K122 PolarHBondContact OH-O 3.04Å; D120-K122 WeakPolarHBondContact OD1-CB 3.41Å; D120-K122 WeakPolarHBondContact OD1-CE 3.46Å; D120-K122 PolarHBondContact OD1-N 3.49Å; D120-K122 IonicContact OD1-NZ 3.6Å; D120-K122 WeakPolarHBondContact OD2-CE 3.44Å; D120-K122 IonicContact OD2-NZ 2.89Å; D120-K122 PolarHBondContact OD2-NZ 2.97Å
123E94.6Very high92.4Very high199 Ų19963.7 Ų63.793%0.9336%0.356SS*.  trans-65.2139.2169.8-66-177.8177.500110.6
124Y96.1Very high91.2Very high46 Ų4669.3 Ų69.318%0.1838%0.383CS..  trans-142.4126.6179-178.1-98.4000109.7L28 Q46 D49 M50 P126 M129L28-Y124 HydrophobicContact CD2-CE1 4.34Å; Q46-Y124 HydrophobicContact CG-CE1 4.23Å; Q46-Y124 VanDerWaalsContact CG-OH 3.28Å; Q46-Y124 WeakPolarHBondContact CG-OH 3.03Å; Q46-Y124 PolarHBondContact O-OH 3.42Å; D49-Y124 PolarHBondContact OD2-OH 2.83Å; M50-Y124 HydrophobicContact CB-CD1 4.08Å; M50-Y124 HydrophobicContact CB-CD2 3.96Å; M50-Y124 HydrophobicContact CB-CE1 4.04Å; M50-Y124 HydrophobicContact CB-CE2 3.99Å; M50-Y124 HydrophobicContact CB-CG 4Å; M50-Y124 HydrophobicContact CE-CD1 3.18Å; M50-Y124 HydrophobicContact CE-CE1 3.7Å; M50-Y124 HydrophobicContact CE-CG 3.86Å; M50-Y124 HydrophobicContact CG-CD1 3.96Å; M50-Y124 HydrophobicContact CG-CD2 4.06Å; M50-Y124 HydrophobicContact CG-CE1 4.42Å; M50-Y124 HydrophobicContact CG-CG 3.71Å; M50-Y124 HydrophobicContact SD-CD1 4.39Å; Y124-P126 HydrophobicContact CD1-CB 4.01Å; Y124-P126 VanDerWaalsContact CE1-CA 3.49Å; Y124-P126 HydrophobicContact CE1-CB 3.73Å; Y124-P126 WeakPolarHBondContact O-CD 3.31Å; Y124-M129 HydrophobicContact CD2-CG 4.47Å; Y124-M129 HydrophobicContact CE2-CB 4.37Å; Y124-M129 HydrophobicContact CE2-CG 3.7Å
125D95.1Very high90Very high89 Ų8971.4 Ų71.448%0.47640%0.395SS..  trans-96.597.5173.1-177.8-16000109.7V127 A128 M129D125-V127 VanDerWaalsContact C-N 3.28Å; D125-V127 PolarHBondContact O-N 3.15Å; D125-V127 PolarHBondContact OD1-N 3.48Å; D125-A128 HydrophobicContact CB-CB 4.02Å; D125-A128 VanDerWaalsContact CG-CB 3.41Å; D125-A128 PolarHBondContact OD1-N 3.46Å; D125-A128 VanDerWaalsContact OD2-CB 3.27Å; D125-A128 WeakPolarHBondContact OD2-CB 3.12Å; D125-M129 VanDerWaalsContact O-CG 3.22Å; D125-M129 WeakPolarHBondContact O-CG 3.36Å; D125-M129 PolarHBondContact O-N 3.22Å; D125-M129 VanDerWaalsContact O-N 3.16Å
126P94.1Very high88.2Confident6 Ų674 Ų744%0.03941%0.409CS..Hα-helixtrans-68.2-27-176.329.9-37.2000113L28 Q29 Q46 Y124 R130L28-P126 VanDerWaalsContact C-CG 3.5Å; L28-P126 HydrophobicContact CB-CB 4.41Å; L28-P126 HydrophobicContact CD2-CB 4.2Å; L28-P126 WeakPolarHBondContact O-CB 3.13Å; L28-P126 WeakPolarHBondContact O-CG 3.26Å; Q29-P126 HydrophobicContact CB-CG 4.08Å; Q29-P126 HydrophobicContact CG-CG 3.91Å; Q46-P126 VanDerWaalsContact NE2-CA 3.32Å; Q46-P126 PolarHBondContact NE2-O 3.18Å; Y124-P126 HydrophobicContact CD1-CB 4.01Å; Y124-P126 VanDerWaalsContact CE1-CA 3.49Å; Y124-P126 HydrophobicContact CE1-CB 3.73Å; Y124-P126 WeakPolarHBondContact O-CD 3.31Å; P126-R130 WeakPolarHBondContact O-CG 3.49Å; P126-R130 PolarHBondContact O-N 2.85Å; P126-R130 PolarHBondContact O-NH1 3.21Å
127V93.1Very high85.8Confident67 Ų6773.9 Ų73.941%0.40641%0.412SS..Hα-helixtrans-76.2-45.6-178.4171.10000110.1Q29 D125 M129 R130 Q131Q29-V127 HydrophobicContact CB-CG2 4.02Å; D125-V127 VanDerWaalsContact C-N 3.28Å; D125-V127 PolarHBondContact O-N 3.15Å; D125-V127 PolarHBondContact OD1-N 3.48Å; V127-M129 VanDerWaalsContact C-N 3.27Å; V127-M129 PolarHBondContact O-N 3.14Å; V127-R130 PolarHBondContact O-N 3Å; V127-Q131 PolarHBondContact O-N 2.72Å
128A92.6Very high83.2Confident54 Ų5477.3 Ų77.345%0.44642%0.421SS..Hα-helixtrans-60.2-39.917500000111.6D125 R130 Q131D125-A128 HydrophobicContact CB-CB 4.02Å; D125-A128 VanDerWaalsContact CG-CB 3.41Å; D125-A128 PolarHBondContact OD1-N 3.46Å; D125-A128 VanDerWaalsContact OD2-CB 3.27Å; D125-A128 WeakPolarHBondContact OD2-CB 3.12Å; A128-R130 VanDerWaalsContact C-N 3.29Å; A128-R130 PolarHBondContact O-N 3.25Å; A128-Q131 PolarHBondContact O-N 3.31Å
129M92.4Very high80.4Confident81 Ų8184.4 Ų84.440%0.39946%0.459SS..Hα-helixtrans-67.5-27.2179.5-68.7-55.4-75.400113.4D49 L58 Y124 D125 V127 Q131D49-M129 WeakPolarHBondContact OD2-CE 3.44Å; L58-M129 HydrophobicContact CD2-CB 3.81Å; L58-M129 HydrophobicContact CD2-CE 4.2Å; L58-M129 WeakPolarHBondContact CD2-O 3.43Å; Y124-M129 HydrophobicContact CD2-CG 4.47Å; Y124-M129 HydrophobicContact CE2-CB 4.37Å; Y124-M129 HydrophobicContact CE2-CG 3.7Å; D125-M129 VanDerWaalsContact O-CG 3.22Å; D125-M129 WeakPolarHBondContact O-CG 3.36Å; D125-M129 PolarHBondContact O-N 3.22Å; D125-M129 VanDerWaalsContact O-N 3.16Å; V127-M129 VanDerWaalsContact C-N 3.27Å; V127-M129 PolarHBondContact O-N 3.14Å; M129-Q131 VanDerWaalsContact C-N 3.27Å; M129-Q131 PolarHBondContact O-N 2.78Å
130R92.7Very high77.4Confident13 Ų1383.5 Ų83.55%0.04947%0.465CS..Hα-helixtrans-75.5-12.1170.2-73.3-170.9-66-95.24.8113.9L28 Q29 Q46 F63 P126 V127 A128 G132 Q133 T135L28-R130 VanDerWaalsContact O-CZ 3.31Å; L28-R130 PolarHBondContact O-NH1 2.85Å; L28-R130 PolarHBondContact O-NH2 2.85Å; Q29-R130 PolarHBondContact O-NH2 3.42Å; Q46-R130 VanDerWaalsContact NE2-NH1 3.17Å; F63-R130 HydrophobicContact CD1-CG 3.95Å; F63-R130 HydrophobicContact CD2-CG 4.14Å; F63-R130 HydrophobicContact CE1-CG 3.7Å; F63-R130 HydrophobicContact CE2-CG 3.91Å; F63-R130 HydrophobicContact CG-CG 4.16Å; F63-R130 HydrophobicContact CZ-CG 3.67Å; P126-R130 WeakPolarHBondContact O-CG 3.49Å; P126-R130 PolarHBondContact O-N 2.85Å; P126-R130 PolarHBondContact O-NH1 3.21Å; V127-R130 PolarHBondContact O-N 3Å; A128-R130 VanDerWaalsContact C-N 3.29Å; A128-R130 PolarHBondContact O-N 3.25Å; R130-G132 PolarHBondContact O-N 3.09Å; R130-Q133 WeakPolarHBondContact O-CB 3.36Å; R130-Q133 WeakPolarHBondContact O-CG 3.36Å; R130-Q133 PolarHBondContact O-N 3.41Å; R130-T135 VanDerWaalsContact CD-CG2 3.46Å
131Q84.9Confident74.7Confident137 Ų13784.1 Ų84.164%0.6448%0.475SS*.THydrogen-bonded Turntrans53.835.6179.9-57-172-15.900113.3V127 A128 M129 Q133V127-Q131 PolarHBondContact O-N 2.72Å; A128-Q131 PolarHBondContact O-N 3.31Å; M129-Q131 VanDerWaalsContact C-N 3.27Å; M129-Q131 PolarHBondContact O-N 2.78Å; Q131-Q133 VanDerWaalsContact C-N 3.28Å; Q131-Q133 PolarHBondContact O-N 3.31Å
132G74.4Confident72.1Confident66 Ų6686.4 Ų86.468%0.6849%0.489SS*.THydrogen-bonded Turntrans74.211-179.100000115.1R130 E134R130-G132 PolarHBondContact O-N 3.09Å; G132-E134 PolarHBondContact O-N 3.47Å
133Q76.5Confident69.7Low73 Ų7389.2 Ų89.234%0.34151%0.511SS..PPolyproline II helixtrans-60.6127.2167.7-72.1-169.528.600109.8V61 F63 R130 Q131 T135V61-Q133 PolarHBondContact O-OE1 2.96Å; F63-Q133 HydrophobicContact CB-CB 4.24Å; F63-Q133 HydrophobicContact CD2-CB 4.31Å; R130-Q133 WeakPolarHBondContact O-CB 3.36Å; R130-Q133 WeakPolarHBondContact O-CG 3.36Å; R130-Q133 PolarHBondContact O-N 3.41Å; Q131-Q133 VanDerWaalsContact C-N 3.28Å; Q131-Q133 PolarHBondContact O-N 3.31Å; Q133-T135 PolarHBondContact O-N 2.99Å; Q133-T135 VanDerWaalsContact O-N 3.17Å
134E68.6Low67.1Low157 Ų15784.7 Ų84.773%0.73450%0.502SS*.PPolyproline II helixtrans-61118.8175.2-65.7-175.516900109.4G64 G132G64-E134 PolarHBondContact N-O 3.36Å; G132-E134 PolarHBondContact O-N 3.47Å
135T72.2Confident64.2Low43 Ų4387.5 Ų87.526%0.26454%0.535SS..PPolyproline II helixtrans-71.7148.8161.757.40000108M30 R130 Q133M30-T135 HydrophobicContact CE-CG2 3.5Å; M30-T135 VanDerWaalsContact CE-CG2 3.5Å; M30-T135 HydrophobicContact CG-CG2 4.38Å; R130-T135 VanDerWaalsContact CD-CG2 3.46Å; Q133-T135 PolarHBondContact O-N 2.99Å; Q133-T135 VanDerWaalsContact O-N 3.17Å
136M58.9Low61.7Low64 Ų6490 Ų9032%0.31555%0.547SS..SBendtrans-29.6120.5-177.4-74.7-70.6-94.300113.5M37 K66M37-M136 HydrophobicContact CE-CB 4.37Å; K66-M136 HydrophobicContact CG-CE 4.32Å; K66-M136 HydrophobicContact CG-SD 3.97Å
137P46.5Very low59.1Low75 Ų7596 Ų9649%0.48758%0.579SS.*  trans-68.8140.3-176.426-31.9000110.3
138M39.9Very low56.5Low120 Ų120102.8 Ų102.859%0.59160%0.603SS**  trans-63.6133.4163.1-151.7157.1-15800108.8S140M138-S140 WeakPolarHBondContact CG-OG 3.07Å; M138-S140 PolarHBondContact O-N 3.14Å; M138-S140 PolarHBondContact SD-OG 3.01Å
139N38Very low53.9Low170 Ų170107.9 Ų107.991%0.90962%0.622SS**  trans-71.273.9148.4-82.321.1000107
140S33.5Very low51.4Low68 Ų68110 Ų11048%0.47664%0.641SS.*  trans-108.4131.6160.9-77.60000108.2M138 A142M138-S140 WeakPolarHBondContact CG-OG 3.07Å; M138-S140 PolarHBondContact O-N 3.14Å; M138-S140 PolarHBondContact SD-OG 3.01Å; S140-A142 PolarHBondContact O-N 3.41Å
141P37.1Very low48.7Very low121 Ų121119.1 Ų119.179%0.78668%0.682SS**  trans-66.1104.4172.626.6-29.6000107.6T143P141-T143 PolarHBondContact O-N 2.96Å
142A39.4Very low46.3Very low102 Ų102122.8 Ų122.884%0.84370%0.695SS**  trans-61.2103.6172.700000108.9S140S140-A142 PolarHBondContact O-N 3.41Å
143T43.3Very low44.4Very low122 Ų122126.2 Ų126.275%0.74870%0.704SS**  trans-73.8147.2152.948.50000108P141P141-T143 PolarHBondContact O-N 2.96Å
144S38.7Very low42.4Very low104 Ų104129.9 Ų129.973%0.72773%0.725SS**  trans96.975.9167.3-33.10000117.1
145A37.2Very low40.8Very low105 Ų105130.3 Ų130.387%0.86873%0.732SS**  trans-118.593.6139.500000108.1
146L41Very low38.9Very low141 Ų141136.8 Ų136.874%0.73876%0.759SS**  trans-70.3134.6174.3-9393.5000111.3
147N41.3Very low37.6Very low132 Ų132137.6 Ų137.671%0.70678%0.776SS**  trans62.296140.9-63.6-10.1000119.7
148K36.4Very low36.9Very low210 Ų210139.7 Ų139.791%0.91379%0.788SS**  trans-119.2112.6138.7-77.9-174.8179.8179.70110
149L38.9Very low36.6Very low162 Ų162141.4 Ų141.485%0.84879%0.794SS**PPolyproline II helixtrans-66.8133.9170.9-123.473.6000110.4
150P39.6Very low36.4Very low124 Ų124142 Ų14281%0.80579%0.789SS**PPolyproline II helixtrans-88.9126.4162.30.318.7000110.4
151K36.5Very low37Very low206 Ų206144.4 Ų144.490%0.89680%0.803SS**PPolyproline II helixtrans-63.1133.8170.6-78.9175.2177.2174.10110.3
152K34.7Very low37.5Very low213 Ų213144.2 Ų144.293%0.92680%0.801SS**PPolyproline II helixtrans-78.6118.3173.5-151.7177.2-169179.60108.8
153T34.4Very low37.2Very low139 Ų139145.8 Ų145.885%0.85380%0.801SS**PPolyproline II helixtrans-103.8128.8167.7-0.30000109.4
154L35Very low36.8Very low150 Ų150144 Ų14479%0.78580%0.798SS**PPolyproline II helixtrans-74.4138.1177.8-157.381.2000109.5
155N33.4Very low36.7Very low166 Ų166148.5 Ų148.589%0.88881%0.805SS**  trans-162.3143.9142-102.3-11000113
156Q32.4Very low36.6Very low178 Ų178150.5 Ų150.583%0.83281%0.806SS**  trans-79.8161.7-168.2-67.5173.8-8.500114.1
157A31.4Very low36.6Very low82 Ų82147.9 Ų147.968%0.67880%0.804SS**  117126.8125.600000118.8
158T31.9Very low36.8Very low119 Ų119147.6 Ų147.673%0.7381%0.81SS**  trans85.5105.7140.550.40000122.9
159Q33.9Very low36.8Very low155 Ų155147.3 Ų147.372%0.72481%0.808SS**  82118.4117.7-70.8-166.822.800123.3
160K33.9Very low37Very low183 Ų183148.1 Ų148.180%0.79681%0.813SS**  trans96.9136.3135.4-75-179.8-176.1179.60121.2
161P47.1Very low37.1Very low118 Ų118146.6 Ų146.677%0.76681%0.811SS**  trans-97.4171.8177.944.1-36.8000111.5
162P47Very low37.5Very low117 Ų117142.9 Ų142.976%0.7681%0.808SS**  -156.6153.981.134.9-11.3000119.1
163V32.7Very low37.9Very low136 Ų136137.8 Ų137.882%0.82481%0.805SS**  trans41.7120.1132.7-164.80000121.4
164A36.2Very low38.1Very low85 Ų85134.6 Ų134.670%0.70280%0.8SS**  161.2120.7110.100000114.9
165K36.7Very low38.6Very low198 Ų198132.2 Ų132.286%0.86180%0.802SS**  trans32.8128.4137.1-55.2179.6-179.7179.90120.5
166V33.9Very low39.1Very low146 Ų146135.8 Ų135.889%0.88580%0.803SS**  178.7139.7107.3173.10000109.2
167A41Very low39.9Very low86 Ų86137 Ų13771%0.71181%0.806SS**  trans-87.6-167-177.400000113.3
168P45.5Very low40.7Very low126 Ų126139.4 Ų139.482%0.81881%0.814SS**  -103.7158.9-100.235.1-19.9000113
169K35.8Very low41.7Very low204 Ų204137 Ų13789%0.88781%0.813SS**  trans-133.6119.2168.8-141.4171-173.8175.50111.4
170L42.9Very low42.6Very low180 Ų180138.3 Ų138.394%0.94282%0.821SS**  trans-57.2134.4172.5-71.1114.9000111.1
171A42.3Very low43.5Very low92 Ų92133.2 Ų133.276%0.7682%0.821SS**  trans-141.5140158.900000109.5
172P45.8Very low43.9Very low128 Ų128129.7 Ų129.783%0.83181%0.806SS**  trans-80.8151.4-169.332.3-33.1000112.4G174P172-G174 PolarHBondContact O-N 2.87Å; P172-G174 VanDerWaalsContact O-N 3.11Å
173A42.8Very low44.6Very low106 Ų106126 Ų12688%0.87679%0.789SS**  trans-63.1105.5173.200000111
174G38Very low46.6Very low72 Ų72125.6 Ų125.674%0.74278%0.783SS**  trans-91.189.7161.700000109.6P172 R176P172-G174 PolarHBondContact O-N 2.87Å; P172-G174 VanDerWaalsContact O-N 3.11Å; G174-R176 PolarHBondContact O-N 2.8Å
175A46.6Very low48.3Very low100 Ų100127.8 Ų127.883%0.82678%0.778SS**  trans-69.398168.900000109.4
176R43.7Very low50.4Low241 Ų241124.3 Ų124.391%0.90977%0.765SS**  trans-92.6103.6162-80.3-175.9171.7173.5-2.5108.5G174G174-R176 PolarHBondContact O-N 2.8Å
177K48.8Very low52.8Low204 Ų204125 Ų12589%0.88775%0.752SS**  trans-70.6128.8159.6-78-174.2176-178.10108.4
178P48.8Very low54.8Low131 Ų131123.7 Ų123.785%0.85174%0.741SS**  trans-91130.5162.432.3-24.1000109.1
179G52.2Low56.4Low70 Ų70122.1 Ų122.172%0.72272%0.723SS**  trans134.788.5165.800000114.2
180M53.3Low58.9Low181 Ų181117.1 Ų117.189%0.89271%0.705SS**  trans-160.696.5144-146.569.375.200107.3
181G52.3Low61.1Low76 Ų76112.2 Ų112.278%0.78468%0.679SS**  trans-130.921.4178.700000112.6
182G55.1Low63.2Low45 Ų45111.5 Ų111.546%0.46466%0.662SS.*SBendtrans-115.2-19.5178.400000114.5D184 E186G182-D184 PolarHBondContact O-N 3.15Å; G182-E186 PolarHBondContact O-N 3.26Å
183G63.2Low65.1Low39 Ų39110 Ų11040%0.40264%0.644SS.*Hα-helixtrans-73.2-26.5-177.400000113.9R187G183-R187 WeakPolarHBondContact O-CB 3.44Å; G183-R187 PolarHBondContact O-N 3.41Å
184D72.9Confident67.5Low128 Ų128109.3 Ų109.368%0.68463%0.625SS**Hα-helixtrans-73.7-33.3179.6-69.2-27.4000112G182 A188G182-D184 PolarHBondContact O-N 3.15Å; D184-A188 WeakPolarHBondContact O-CB 3.27Å; D184-A188 PolarHBondContact O-N 2.93Å
185E73Confident70.1Confident130 Ų130112.3 Ų112.361%0.60762%0.62SS**Hα-helixtrans-72.7-47.8177.2-163.6104.9-153.600110.7R187 A188 E189E185-R187 VanDerWaalsContact C-N 3.31Å; E185-R187 PolarHBondContact O-N 3.04Å; E185-A188 WeakPolarHBondContact O-CB 3.44Å; E185-A188 PolarHBondContact O-N 3.01Å; E185-A188 VanDerWaalsContact O-N 3.14Å; E185-E189 WeakPolarHBondContact O-CG 3.28Å; E185-E189 PolarHBondContact O-N 2.75Å
186E80.8Confident72Confident125 Ų125111 Ų11158%0.58460%0.598SS**Hα-helixtrans-61.2-40.5175-175.2178.4176.700111.5G182 A188 E189 L190G182-E186 PolarHBondContact O-N 3.26Å; E186-A188 VanDerWaalsContact C-N 3.34Å; E186-A188 PolarHBondContact O-N 2.73Å; E186-E189 PolarHBondContact O-N 3.33Å; E186-L190 HydrophobicContact CG-CD1 4.36Å; E186-L190 WeakPolarHBondContact O-CG 3.43Å; E186-L190 PolarHBondContact O-N 2.91Å
187R83.6Confident74.3Confident162 Ų162104.1 Ų104.161%0.61158%0.579SS**Hα-helixtrans-63.9-38.7174.8-177.3177-176.9-78.9-4.6112.1G183 E185 I191G183-R187 WeakPolarHBondContact O-CB 3.44Å; G183-R187 PolarHBondContact O-N 3.41Å; E185-R187 VanDerWaalsContact C-N 3.31Å; E185-R187 PolarHBondContact O-N 3.04Å; R187-I191 HydrophobicContact CG-CD1 4Å; R187-I191 WeakPolarHBondContact O-CB 3.43Å; R187-I191 WeakPolarHBondContact O-CD1 3.48Å; R187-I191 WeakPolarHBondContact O-CG1 3.4Å; R187-I191 PolarHBondContact O-N 2.97Å
188A83.6Confident76.3Confident58 Ų58100.6 Ų100.648%0.47956%0.563SS.*Hα-helixtrans-67.2-38.4176.900000111.8D184 E185 E186 I191 N192D184-A188 WeakPolarHBondContact O-CB 3.27Å; D184-A188 PolarHBondContact O-N 2.93Å; E185-A188 WeakPolarHBondContact O-CB 3.44Å; E185-A188 PolarHBondContact O-N 3.01Å; E185-A188 VanDerWaalsContact O-N 3.14Å; E186-A188 VanDerWaalsContact C-N 3.34Å; E186-A188 PolarHBondContact O-N 2.73Å; A188-I191 PolarHBondContact O-N 2.95Å; A188-N192 PolarHBondContact O-N 3.41Å; A188-N192 VanDerWaalsContact O-N 3.1Å
189E79.9Confident78.2Confident93 Ų9397.1 Ų97.144%0.43554%0.542SS..Hα-helixtrans-65.3-45.9175.6-70.2-177.6172.500111.8K34 E185 E186 I191 N192 E193K34-E189 VanDerWaalsContact CE-OE1 3.27Å; K34-E189 WeakPolarHBondContact CE-OE1 3.11Å; K34-E189 IonicContact NZ-OE1 2.82Å; K34-E189 PolarHBondContact NZ-OE1 3.43Å; E185-E189 WeakPolarHBondContact O-CG 3.28Å; E185-E189 PolarHBondContact O-N 2.75Å; E186-E189 PolarHBondContact O-N 3.33Å; E189-I191 VanDerWaalsContact C-N 3.3Å; E189-I191 PolarHBondContact O-N 3.09Å; E189-N192 PolarHBondContact O-N 3.19Å; E189-E193 PolarHBondContact O-N 3.05Å
190L86.8Confident80Confident98 Ų9897 Ų9751%0.51353%0.527SS..Hα-helixtrans-62.2-36.7175.9-71.3171.1000112.5E186 E193 I194E186-L190 HydrophobicContact CG-CD1 4.36Å; E186-L190 WeakPolarHBondContact O-CG 3.43Å; E186-L190 PolarHBondContact O-N 2.91Å; L190-E193 PolarHBondContact O-N 3.02Å; L190-I194 VanDerWaalsContact O-CG1 3.28Å; L190-I194 WeakPolarHBondContact O-CG1 3.38Å; L190-I194 PolarHBondContact O-N 3.48Å
191I89.3Confident82Confident77 Ų7792.8 Ų92.840%0.39551%0.508SS..Hα-helixtrans-64.9-41.9175.9-73.4166000111R187 A188 E189 I194 E195R187-I191 HydrophobicContact CG-CD1 4Å; R187-I191 WeakPolarHBondContact O-CB 3.43Å; R187-I191 WeakPolarHBondContact O-CD1 3.48Å; R187-I191 WeakPolarHBondContact O-CG1 3.4Å; R187-I191 PolarHBondContact O-N 2.97Å; A188-I191 PolarHBondContact O-N 2.95Å; E189-I191 VanDerWaalsContact C-N 3.3Å; E189-I191 PolarHBondContact O-N 3.09Å; I191-I194 PolarHBondContact O-N 2.85Å; I191-E195 PolarHBondContact O-N 2.88Å
192N85.8Confident84Confident77 Ų7794.5 Ų94.541%0.41250%0.495SS..Hα-helixtrans-65.5-43.2177.9-169.6-14.3000111.2A188 E189 I194 E195 I196A188-N192 PolarHBondContact O-N 3.41Å; A188-N192 VanDerWaalsContact O-N 3.1Å; E189-N192 PolarHBondContact O-N 3.19Å; N192-I194 VanDerWaalsContact C-N 3.33Å; N192-I194 PolarHBondContact O-N 3.1Å; N192-E195 WeakPolarHBondContact O-CB 3.18Å; N192-E195 PolarHBondContact O-N 3.38Å; N192-E195 VanDerWaalsContact O-N 3.09Å; N192-I196 WeakPolarHBondContact O-CG1 3.5Å; N192-I196 PolarHBondContact O-N 3.42Å; N192-I196 WeakPolarHBondContact OD1-CD1 3.28Å
193E87.7Confident85.5Confident98 Ų9896.1 Ų96.146%0.45849%0.493SS..Hα-helixtrans-62.5-39.4176.3-167.9133.9-149.400112R17 E189 L190 E195 I196 L197R17-E193 IonicContact NH2-OE1 2.64Å; E189-E193 PolarHBondContact O-N 3.05Å; L190-E193 PolarHBondContact O-N 3.02Å; E193-E195 VanDerWaalsContact C-N 3.32Å; E193-E195 PolarHBondContact O-N 3.43Å; E193-I196 PolarHBondContact O-N 2.96Å; E193-L197 HydrophobicContact CG-CD1 4.34Å; E193-L197 WeakPolarHBondContact O-CB 3.28Å; E193-L197 VanDerWaalsContact O-CG 3.28Å; E193-L197 WeakPolarHBondContact O-CG 3.41Å; E193-L197 PolarHBondContact O-N 3.23Å
194I92.2Very high86.8Confident90 Ų90100.1 Ų100.146%0.46250%0.503SS..Hα-helixtrans-61.2-40.8172.3-72.5167.8000111.6L190 I191 N192 K198L190-I194 VanDerWaalsContact O-CG1 3.28Å; L190-I194 WeakPolarHBondContact O-CG1 3.38Å; L190-I194 PolarHBondContact O-N 3.48Å; I191-I194 PolarHBondContact O-N 2.85Å; N192-I194 VanDerWaalsContact C-N 3.33Å; N192-I194 PolarHBondContact O-N 3.1Å; I194-K198 HydrophobicContact CG2-CD 4.1Å; I194-K198 WeakPolarHBondContact O-CB 3.48Å; I194-K198 VanDerWaalsContact O-CG 3.25Å; I194-K198 WeakPolarHBondContact O-CG 3.31Å; I194-K198 PolarHBondContact O-N 2.99Å
195E92.8Very high87.9Confident136 Ų13697.9 Ų97.964%0.63649%0.488SS*.Hα-helixtrans-66.6-42.3179.5-168.5171-168.900111.7I191 N192 E193 K198 S199I191-E195 PolarHBondContact O-N 2.88Å; N192-E195 WeakPolarHBondContact O-CB 3.18Å; N192-E195 PolarHBondContact O-N 3.38Å; N192-E195 VanDerWaalsContact O-N 3.09Å; E193-E195 VanDerWaalsContact C-N 3.32Å; E193-E195 PolarHBondContact O-N 3.43Å; E195-K198 PolarHBondContact O-N 3.44Å; E195-S199 PolarHBondContact O-N 3.37Å
196I85.8Confident88.8Confident71 Ų7197.6 Ų97.636%0.36449%0.485SS..Hα-helixtrans-63.3-46.8175.1-67.1168000110.9N192 E193 K198 S199 T200N192-I196 WeakPolarHBondContact O-CG1 3.5Å; N192-I196 PolarHBondContact O-N 3.42Å; N192-I196 WeakPolarHBondContact OD1-CD1 3.28Å; E193-I196 PolarHBondContact O-N 2.96Å; I196-K198 VanDerWaalsContact C-N 3.31Å; I196-K198 PolarHBondContact O-N 3.03Å; I196-S199 PolarHBondContact O-N 2.92Å; I196-T200 WeakPolarHBondContact O-CB 3.35Å; I196-T200 PolarHBondContact O-N 3.21Å; I196-T200 PolarHBondContact O-OG1 3.02Å
197L91.8Very high89.5Confident98 Ų9897.1 Ų97.151%0.51348%0.483SS..Hα-helixtrans-61.2-41.4178.1-73.9172.5000111.2E193 T200 I201E193-L197 HydrophobicContact CG-CD1 4.34Å; E193-L197 WeakPolarHBondContact O-CB 3.28Å; E193-L197 VanDerWaalsContact O-CG 3.28Å; E193-L197 WeakPolarHBondContact O-CG 3.41Å; E193-L197 PolarHBondContact O-N 3.23Å; L197-T200 PolarHBondContact O-N 2.92Å; L197-I201 VanDerWaalsContact O-CG1 3.28Å; L197-I201 WeakPolarHBondContact O-CG1 3.41Å; L197-I201 PolarHBondContact O-N 3.39Å
198K92.4Very high90.1Very high130 Ų13096.2 Ų96.257%0.56548%0.479SS*.Hα-helixtrans-60.9-45.2174.6-78.4175.7176.9-176.80112.3I194 E195 I196 T200 I201 Q202I194-K198 HydrophobicContact CG2-CD 4.1Å; I194-K198 WeakPolarHBondContact O-CB 3.48Å; I194-K198 VanDerWaalsContact O-CG 3.25Å; I194-K198 WeakPolarHBondContact O-CG 3.31Å; I194-K198 PolarHBondContact O-N 2.99Å; E195-K198 PolarHBondContact O-N 3.44Å; I196-K198 VanDerWaalsContact C-N 3.31Å; I196-K198 PolarHBondContact O-N 3.03Å; K198-T200 VanDerWaalsContact C-N 3.31Å; K198-T200 PolarHBondContact O-N 2.8Å; K198-I201 PolarHBondContact O-N 3.35Å; K198-Q202 WeakPolarHBondContact O-CG 3.25Å; K198-Q202 PolarHBondContact O-N 3.46Å
199S88.4Confident90.5Very high58 Ų5897.6 Ų97.641%0.40648%0.479SS..Hα-helixtrans-62.5-41.3176.4-169.50000111.5E195 I196 Q202 D203E195-S199 PolarHBondContact O-N 3.37Å; I196-S199 PolarHBondContact O-N 2.92Å; S199-Q202 PolarHBondContact O-N 3.38Å; S199-D203 PolarHBondContact O-N 3.48Å
200T90.1Very high91.2Very high67 Ų6798.8 Ų98.841%0.41148%0.483SS..Hα-helixtrans-63.2-44.9178.1-54.60000110.9I196 L197 K198 Q202 D203 M204I196-T200 WeakPolarHBondContact O-CB 3.35Å; I196-T200 PolarHBondContact O-N 3.21Å; I196-T200 PolarHBondContact O-OG1 3.02Å; L197-T200 PolarHBondContact O-N 2.92Å; K198-T200 VanDerWaalsContact C-N 3.31Å; K198-T200 PolarHBondContact O-N 2.8Å; T200-Q202 VanDerWaalsContact C-N 3.34Å; T200-Q202 PolarHBondContact O-N 3.27Å; T200-D203 PolarHBondContact O-N 3.28Å; T200-M204 HydrophobicContact CG2-SD 4.48Å; T200-M204 WeakPolarHBondContact O-CG 3.45Å; T200-M204 PolarHBondContact O-N 2.98Å
201I95Very high91.7Very high93 Ų93100.3 Ų100.348%0.47748%0.483SS..Hα-helixtrans-59.2-46.2175.1-70.9165.7000110.3L197 K198 D203 M204 E205L197-I201 VanDerWaalsContact O-CG1 3.28Å; L197-I201 WeakPolarHBondContact O-CG1 3.41Å; L197-I201 PolarHBondContact O-N 3.39Å; K198-I201 PolarHBondContact O-N 3.35Å; I201-D203 VanDerWaalsContact C-N 3.3Å; I201-D203 PolarHBondContact O-N 2.89Å; I201-M204 CarbonylContact O-C 3.6Å; I201-M204 PolarHBondContact O-N 3.38Å; I201-E205 HydrophobicContact CG2-CG 4.2Å; I201-E205 WeakPolarHBondContact O-CB 3.29Å; I201-E205 VanDerWaalsContact O-CG 3.29Å; I201-E205 WeakPolarHBondContact O-CG 3.46Å; I201-E205 PolarHBondContact O-N 3.02Å
202Q93.8Very high91.9Very high111 Ų111103.2 Ų103.252%0.51949%0.493SS..Hα-helixtrans-60.4-39.2178.6-75.9179.5-1200112.9K198 S199 T200 E205 K206K198-Q202 WeakPolarHBondContact O-CG 3.25Å; K198-Q202 PolarHBondContact O-N 3.46Å; S199-Q202 PolarHBondContact O-N 3.38Å; T200-Q202 VanDerWaalsContact C-N 3.34Å; T200-Q202 PolarHBondContact O-N 3.27Å; Q202-E205 PolarHBondContact O-N 3Å; Q202-K206 WeakPolarHBondContact O-CG 3.29Å; Q202-K206 PolarHBondContact O-N 2.82Å; Q202-K206 VanDerWaalsContact O-N 3.11Å
203D86.9Confident92.4Very high79 Ų79100.9 Ų100.942%0.42249%0.487SS..Hα-helixtrans-71.9-39.1177.5-70-24.2000111.4S199 T200 I201 E205 K206 E207S199-D203 PolarHBondContact O-N 3.48Å; T200-D203 PolarHBondContact O-N 3.28Å; I201-D203 VanDerWaalsContact C-N 3.3Å; I201-D203 PolarHBondContact O-N 2.89Å; D203-E205 VanDerWaalsContact C-N 3.33Å; D203-E205 PolarHBondContact O-N 3.27Å; D203-K206 PolarHBondContact O-N 2.93Å; D203-K206 IonicContact OD1-NZ 2.8Å; D203-K206 PolarHBondContact OD1-NZ 3.28Å; D203-E207 PolarHBondContact O-N 3.47Å
204M91.3Very high92.8Very high124 Ų124101.1 Ų101.161%0.61149%0.486SS*.Hα-helixtrans-62.4-38171.7-71.6-171.273.400112.5T200 I201 E207 R208T200-M204 HydrophobicContact CG2-SD 4.48Å; T200-M204 WeakPolarHBondContact O-CG 3.45Å; T200-M204 PolarHBondContact O-N 2.98Å; I201-M204 CarbonylContact O-C 3.6Å; I201-M204 PolarHBondContact O-N 3.38Å; M204-E207 PolarHBondContact O-N 3.33Å; M204-R208 WeakPolarHBondContact O-CB 3.37Å; M204-R208 PolarHBondContact O-N 3.11Å
205E94.7Very high93Very high80 Ų80101 Ų10137%0.37449%0.486SS..Hα-helixtrans-64-41.9175.2-75.4177146.100111.3I201 Q202 D203 E207 R208 D209I201-E205 HydrophobicContact CG2-CG 4.2Å; I201-E205 WeakPolarHBondContact O-CB 3.29Å; I201-E205 VanDerWaalsContact O-CG 3.29Å; I201-E205 WeakPolarHBondContact O-CG 3.46Å; I201-E205 PolarHBondContact O-N 3.02Å; Q202-E205 PolarHBondContact O-N 3Å; D203-E205 VanDerWaalsContact C-N 3.33Å; D203-E205 PolarHBondContact O-N 3.27Å; E205-E207 VanDerWaalsContact C-N 3.34Å; E205-E207 PolarHBondContact O-N 3.03Å; E205-R208 WeakPolarHBondContact O-CB 2.99Å; E205-R208 PolarHBondContact O-N 2.87Å; E205-D209 WeakPolarHBondContact O-CB 3.46Å; E205-D209 PolarHBondContact O-N 3.34Å
206K92.2Very high93.1Very high125 Ų12598.9 Ų98.954%0.54347%0.472SS..Hα-helixtrans-61.9-42.4174-69.2169.4-160.5153.60111.9Q202 D203 D209 F210Q202-K206 WeakPolarHBondContact O-CG 3.29Å; Q202-K206 PolarHBondContact O-N 2.82Å; Q202-K206 VanDerWaalsContact O-N 3.11Å; D203-K206 PolarHBondContact O-N 2.93Å; D203-K206 IonicContact OD1-NZ 2.8Å; D203-K206 PolarHBondContact OD1-NZ 3.28Å; K206-D209 PolarHBondContact O-N 3.21Å; K206-F210 VanDerWaalsContact O-CB 3.26Å; K206-F210 WeakPolarHBondContact O-CB 3.39Å; K206-F210 PolarHBondContact O-N 3.42Å
207E94.8Very high93.6Very high115 Ų115100.3 Ų100.354%0.53748%0.48SS..Hα-helixtrans-65.3-45.1176.4-72-170.2168.400111.4D203 M204 E205 D209 F210 Y211D203-E207 PolarHBondContact O-N 3.47Å; M204-E207 PolarHBondContact O-N 3.33Å; E205-E207 VanDerWaalsContact C-N 3.34Å; E205-E207 PolarHBondContact O-N 3.03Å; E207-D209 VanDerWaalsContact C-N 3.33Å; E207-D209 PolarHBondContact O-N 2.92Å; E207-F210 WeakPolarHBondContact O-CB 3.49Å; E207-F210 PolarHBondContact O-N 3.49Å; E207-Y211 HydrophobicContact CB-CD2 4.44Å; E207-Y211 HydrophobicContact CB-CE2 4.16Å; E207-Y211 WeakPolarHBondContact O-CD2 3.34Å; E207-Y211 PolarHBondContact O-N 3.27Å
208R95.9Very high93.7Very high142 Ų14299.1 Ų99.154%0.53647%0.474SS..Hα-helixtrans-54.4-50.4174-178.9-160.966.7-156.3-6.6110.7M204 E205 F210 Y211 F212M204-R208 WeakPolarHBondContact O-CB 3.37Å; M204-R208 PolarHBondContact O-N 3.11Å; E205-R208 WeakPolarHBondContact O-CB 2.99Å; E205-R208 PolarHBondContact O-N 2.87Å; R208-F210 VanDerWaalsContact C-N 3.31Å; R208-F210 PolarHBondContact O-N 3.46Å; R208-Y211 PolarHBondContact O-N 2.79Å; R208-F212 WeakPolarHBondContact O-CB 3.36Å; R208-F212 PolarHBondContact O-N 3.36Å
209D92.9Very high93.8Very high87 Ų8794.5 Ų94.547%0.46545%0.454SS..Hα-helixtrans-66.3-36-178.3-66.2-5.3000111.3E205 K206 E207 G213E205-D209 WeakPolarHBondContact O-CB 3.46Å; E205-D209 PolarHBondContact O-N 3.34Å; K206-D209 PolarHBondContact O-N 3.21Å; E207-D209 VanDerWaalsContact C-N 3.33Å; E207-D209 PolarHBondContact O-N 2.92Å; D209-G213 PolarHBondContact O-N 3.17Å
210F95Very high94Very high118 Ų11894.8 Ų94.852%0.51845%0.451SS..Hα-helixtrans-63-46.9174.5174.5-99.9000112.5K206 E207 R208 K214K206-F210 VanDerWaalsContact O-CB 3.26Å; K206-F210 WeakPolarHBondContact O-CB 3.39Å; K206-F210 PolarHBondContact O-N 3.42Å; E207-F210 WeakPolarHBondContact O-CB 3.49Å; E207-F210 PolarHBondContact O-N 3.49Å; R208-F210 VanDerWaalsContact C-N 3.31Å; R208-F210 PolarHBondContact O-N 3.46Å; F210-K214 HydrophobicContact CD1-CD 4.45Å; F210-K214 HydrophobicContact CE1-CD 4.05Å; F210-K214 HydrophobicContact CZ-CD 4.3Å; F210-K214 WeakPolarHBondContact O-CG 3.41Å; F210-K214 PolarHBondContact O-N 3.37Å
211Y96.3Very high94.1Very high131 Ų13195.9 Ų95.951%0.51445%0.453SS..Hα-helixtrans-71-41.6177.6-67-61000111.8E207 R208 G213 K214 L215E207-Y211 HydrophobicContact CB-CD2 4.44Å; E207-Y211 HydrophobicContact CB-CE2 4.16Å; E207-Y211 WeakPolarHBondContact O-CD2 3.34Å; E207-Y211 PolarHBondContact O-N 3.27Å; R208-Y211 PolarHBondContact O-N 2.79Å; Y211-G213 VanDerWaalsContact C-N 3.34Å; Y211-G213 PolarHBondContact O-N 3.49Å; Y211-K214 WeakPolarHBondContact O-CB 3.17Å; Y211-K214 PolarHBondContact O-N 3.12Å; Y211-K214 VanDerWaalsContact O-N 3.17Å; Y211-L215 WeakPolarHBondContact O-CG 3.49Å; Y211-L215 PolarHBondContact O-N 3.06Å
212F95.1Very high93.9Very high137 Ų13791.8 Ų91.860%0.60143%0.433SS*.Hα-helixtrans-57.5-46.5174.5179.8-97.8000111.4R208 K214 L215 R216R208-F212 WeakPolarHBondContact O-CB 3.36Å; R208-F212 PolarHBondContact O-N 3.36Å; F212-K214 VanDerWaalsContact C-N 3.31Å; F212-K214 PolarHBondContact O-N 3.2Å; F212-L215 PolarHBondContact O-N 3.22Å; F212-R216 WeakPolarHBondContact O-CB 3.46Å; F212-R216 PolarHBondContact O-N 3.34Å
213G94.4Very high93.6Very high28 Ų2890.4 Ų90.429%0.28943%0.426SS..Hα-helixtrans-59.9-38.3176.800000113.2D209 Y211 N217D209-G213 PolarHBondContact O-N 3.17Å; Y211-G213 VanDerWaalsContact C-N 3.34Å; Y211-G213 PolarHBondContact O-N 3.49Å; G213-N217 VanDerWaalsContact O-CG 3.25Å; G213-N217 PolarHBondContact O-N 3.25Å; G213-N217 PolarHBondContact O-ND2 2.97Å
214K96.7Very high93.7Very high104 Ų10494.2 Ų94.245%0.45244%0.442SS..Hα-helixtrans-64.8-46.7173.6-73.1174.8-179.4-74.90112F210 Y211 F212 R216 N217 I218F210-K214 HydrophobicContact CD1-CD 4.45Å; F210-K214 HydrophobicContact CE1-CD 4.05Å; F210-K214 HydrophobicContact CZ-CD 4.3Å; F210-K214 WeakPolarHBondContact O-CG 3.41Å; F210-K214 PolarHBondContact O-N 3.37Å; Y211-K214 WeakPolarHBondContact O-CB 3.17Å; Y211-K214 PolarHBondContact O-N 3.12Å; Y211-K214 VanDerWaalsContact O-N 3.17Å; F212-K214 VanDerWaalsContact C-N 3.31Å; F212-K214 PolarHBondContact O-N 3.2Å; K214-R216 VanDerWaalsContact C-N 3.34Å; K214-N217 PolarHBondContact O-N 3Å; K214-I218 WeakPolarHBondContact O-CG1 3.36Å; K214-I218 PolarHBondContact O-N 2.83Å; K214-I218 VanDerWaalsContact O-N 3.09Å
215L96.4Very high93.3Very high86 Ų8692.9 Ų92.945%0.4543%0.432SS..Hα-helixtrans-63.2-41.5179-66.8170.5000111.1Y211 F212 N217 I218 E219 L240Y211-L215 WeakPolarHBondContact O-CG 3.49Å; Y211-L215 PolarHBondContact O-N 3.06Å; F212-L215 PolarHBondContact O-N 3.22Å; L215-N217 PolarHBondContact O-N 3.26Å; L215-I218 WeakPolarHBondContact O-CB 3.26Å; L215-I218 PolarHBondContact O-N 2.82Å; L215-I218 VanDerWaalsContact O-N 3.15Å; L215-E219 WeakPolarHBondContact O-CB 3.38Å; L215-E219 PolarHBondContact O-N 3.44Å; L215-L240 HydrophobicContact CB-CD2 4.12Å; L215-L240 HydrophobicContact CD2-CD2 3.65Å; L215-L240 HydrophobicContact CG-CD2 4.41Å
216R95.1Very high92.3Very high93 Ų9395.8 Ų95.835%0.35145%0.446SS..Hα-helixtrans-62-40175.4-176.956.5179147.95.9112.6F212 K214 I218 E219 L220F212-R216 WeakPolarHBondContact O-CB 3.46Å; F212-R216 PolarHBondContact O-N 3.34Å; K214-R216 VanDerWaalsContact C-N 3.34Å; R216-I218 VanDerWaalsContact C-N 3.34Å; R216-E219 WeakPolarHBondContact CD-OE2 3.43Å; R216-E219 IonicContact CZ-OE2 3.6Å; R216-E219 IonicContact NE-OE2 3.75Å; R216-E219 IonicContact NH1-OE1 3.6Å; R216-E219 IonicContact NH1-OE2 2.7Å; R216-E219 PolarHBondContact NH1-OE2 3.37Å; R216-E219 WeakPolarHBondContact O-CB 3.41Å; R216-E219 PolarHBondContact O-N 2.93Å; R216-L220 WeakPolarHBondContact O-CG 3.47Å; R216-L220 PolarHBondContact O-N 3.18Å
217N96.4Very high91.2Very high100 Ų10094 Ų9454%0.53546%0.463SS..Hα-helixtrans-64.5-39.1174.6-72.4-25.6000111.9G213 K214 L215 I221G213-N217 VanDerWaalsContact O-CG 3.25Å; G213-N217 PolarHBondContact O-N 3.25Å; G213-N217 PolarHBondContact O-ND2 2.97Å; K214-N217 PolarHBondContact O-N 3Å; L215-N217 PolarHBondContact O-N 3.26Å; N217-I221 WeakPolarHBondContact O-CG1 3.22Å; N217-I221 PolarHBondContact O-N 3.43Å
218I94.7Very high90.5Very high73 Ų7395.5 Ų95.537%0.37447%0.47SS..Hα-helixtrans-64.7-43.4175.3-66.9166.3000110.4K214 L215 R216 L220 I221 C222 I236 L240K214-I218 WeakPolarHBondContact O-CG1 3.36Å; K214-I218 PolarHBondContact O-N 2.83Å; K214-I218 VanDerWaalsContact O-N 3.09Å; L215-I218 WeakPolarHBondContact O-CB 3.26Å; L215-I218 PolarHBondContact O-N 2.82Å; L215-I218 VanDerWaalsContact O-N 3.15Å; R216-I218 VanDerWaalsContact C-N 3.34Å; I218-L220 PolarHBondContact O-N 3.43Å; I218-I221 PolarHBondContact O-N 2.88Å; I218-C222 PolarHBondContact O-N 3.34Å; I218-C222 PolarHBondContact O-SG 3.45Å; I218-I236 HydrophobicContact CG2-CG2 3.79Å; I218-L240 HydrophobicContact CG2-CD1 4.31Å
219E92.8Very high89.5Confident34 Ų3491.8 Ų91.816%0.15948%0.476CS..Hα-helixtrans-58.5-46.5177.1-170.4-172.8-168.100111.6L215 R216 I221 C222 Q223 L240 Y241L215-E219 WeakPolarHBondContact O-CB 3.38Å; L215-E219 PolarHBondContact O-N 3.44Å; R216-E219 WeakPolarHBondContact CD-OE2 3.43Å; R216-E219 IonicContact CZ-OE2 3.6Å; R216-E219 IonicContact NE-OE2 3.75Å; R216-E219 IonicContact NH1-OE1 3.6Å; R216-E219 IonicContact NH1-OE2 2.7Å; R216-E219 PolarHBondContact NH1-OE2 3.37Å; R216-E219 WeakPolarHBondContact O-CB 3.41Å; R216-E219 PolarHBondContact O-N 2.93Å; E219-I221 VanDerWaalsContact C-N 3.33Å; E219-I221 PolarHBondContact O-N 3.07Å; E219-C222 WeakPolarHBondContact O-CB 3.25Å; E219-C222 PolarHBondContact O-N 2.88Å; E219-C222 VanDerWaalsContact O-N 3.1Å; E219-Q223 WeakPolarHBondContact O-CG 3.27Å; E219-Q223 PolarHBondContact O-N 3.08Å; E219-L240 HydrophobicContact CB-CD1 3.96Å; E219-L240 HydrophobicContact CG-CD1 4.36Å; E219-Y241 PolarHBondContact OE1-OH 3.16Å
220L93.4Very high89.2Confident63 Ų6390.9 Ų90.933%0.3347%0.471SS..Hα-helixtrans-58.5-43.5176.3-73.8173.7000112R216 I218 C222 Q223 E224R216-L220 WeakPolarHBondContact O-CG 3.47Å; R216-L220 PolarHBondContact O-N 3.18Å; I218-L220 PolarHBondContact O-N 3.43Å; L220-C222 VanDerWaalsContact C-N 3.27Å; L220-C222 PolarHBondContact O-N 2.83Å; L220-Q223 PolarHBondContact O-N 3.33Å; L220-E224 WeakPolarHBondContact O-CG 3.16Å; L220-E224 PolarHBondContact O-N 3.1Å
221I92.4Very high88.8Confident91 Ų9189.9 Ų89.947%0.46748%0.477SS..Hα-helixtrans-61.8-37.8176.9-67.7165.2000111.2N217 I218 E219N217-I221 WeakPolarHBondContact O-CG1 3.22Å; N217-I221 PolarHBondContact O-N 3.43Å; I218-I221 PolarHBondContact O-N 2.88Å; E219-I221 VanDerWaalsContact C-N 3.33Å; E219-I221 PolarHBondContact O-N 3.07Å
222C90.8Very high88.5Confident6 Ų687.6 Ų87.64%0.04148%0.477CS..Hα-helixtrans-68.9-42.6177.9-62.20000111.4I218 E219 L220 K225 E226 V237I218-C222 PolarHBondContact O-N 3.34Å; I218-C222 PolarHBondContact O-SG 3.45Å; E219-C222 WeakPolarHBondContact O-CB 3.25Å; E219-C222 PolarHBondContact O-N 2.88Å; E219-C222 VanDerWaalsContact O-N 3.1Å; L220-C222 VanDerWaalsContact C-N 3.27Å; L220-C222 PolarHBondContact O-N 2.83Å; C222-K225 PolarHBondContact O-N 3.18Å; C222-E226 PolarHBondContact O-N 3.07Å; C222-E226 VanDerWaalsContact O-N 3.16Å; C222-V237 HydrophobicContact CB-CG2 3.87Å
223Q87.7Confident88.2Confident82 Ų8282.3 Ų82.338%0.38345%0.454SS..Hα-helixtrans-64.2-41.1178.5-71.7175.5-12.800112.3E219 L220 K225 E226E219-Q223 WeakPolarHBondContact O-CG 3.27Å; E219-Q223 PolarHBondContact O-N 3.08Å; L220-Q223 PolarHBondContact O-N 3.33Å; Q223-K225 PolarHBondContact O-N 3.21Å; Q223-E226 WeakPolarHBondContact O-CB 3.38Å; Q223-E226 PolarHBondContact O-N 3.49Å
224E87.9Confident87.9Confident160 Ų16085.8 Ų85.875%0.74846%0.463SS*.Hα-helixtrans-61-27.3177.3-75.5177.4178.200113.1L220L220-E224 WeakPolarHBondContact O-CG 3.16Å; L220-E224 PolarHBondContact O-N 3.1Å
225K82.9Confident87.6Confident95 Ų9589.7 Ų89.741%0.41348%0.475SS..THydrogen-bonded Turntrans-108.78-175.3-65.3-169.8178.6-171.30114.3C222 Q223 G227 E228 L233C222-K225 PolarHBondContact O-N 3.18Å; Q223-K225 PolarHBondContact O-N 3.21Å; K225-G227 PolarHBondContact O-N 3.24Å; K225-G227 VanDerWaalsContact O-N 3.11Å; K225-E228 WeakPolarHBondContact O-CB 3.46Å; K225-E228 PolarHBondContact O-N 3.05Å; K225-L233 HydrophobicContact CB-CD1 3.51Å; K225-L233 HydrophobicContact CD-CD1 4.46Å
226E74.9Confident87.3Confident142 Ų14288.5 Ų88.566%0.66447%0.468SS*.G310 helixtrans-58.9-28.5-174.8-165.1172.7-168.100112.7C222 Q223 E228C222-E226 PolarHBondContact O-N 3.07Å; C222-E226 VanDerWaalsContact O-N 3.16Å; Q223-E226 WeakPolarHBondContact O-CB 3.38Å; Q223-E226 PolarHBondContact O-N 3.49Å; E226-E228 VanDerWaalsContact C-N 3.29Å; E226-E228 PolarHBondContact O-N 3.15Å
227G69.6Low87Confident87 Ų8785.8 Ų85.890%0.89746%0.462SS*.G310 helixtrans-73.3-9.2176.800000116K225K225-G227 PolarHBondContact O-N 3.24Å; K225-G227 VanDerWaalsContact O-N 3.11Å
228E78.3Confident86.7Confident146 Ų14685.3 Ų85.368%0.68246%0.46SS*.G310 helixtrans-87.2-9.9-177.8-63.1-176.3-177.100113.2K225 E226 D230K225-E228 WeakPolarHBondContact O-CB 3.46Å; K225-E228 PolarHBondContact O-N 3.05Å; E226-E228 VanDerWaalsContact C-N 3.29Å; E226-E228 PolarHBondContact O-N 3.15Å; E228-D230 VanDerWaalsContact C-N 3.31Å; E228-D230 PolarHBondContact O-N 3.09Å
229G75.8Confident86.6Confident65 Ų6588 Ų8867%0.6747%0.474SS*.  trans67.125.4175.100000114.8P231G229-P231 VanDerWaalsContact O-CD 3.27Å; G229-P231 WeakPolarHBondContact O-CD 3.4Å
230D85.9Confident86.5Confident68 Ų6888.7 Ų88.736%0.36448%0.478SS..  trans-72.1115.3178.8-176.9-5.7000111.1E228 T232 L233 Q234E228-D230 VanDerWaalsContact C-N 3.31Å; E228-D230 PolarHBondContact O-N 3.09Å; D230-T232 PolarHBondContact O-N 3.33Å; D230-T232 VanDerWaalsContact O-N 3.07Å; D230-T232 WeakPolarHBondContact OD1-CB 3.45Å; D230-T232 PolarHBondContact OD1-N 3.38Å; D230-T232 PolarHBondContact OD1-OG1 2.97Å; D230-L233 HydrophobicContact CB-CB 4.42Å; D230-L233 HydrophobicContact CB-CD1 3.99Å; D230-L233 HydrophobicContact CB-CG 3.95Å; D230-L233 PolarHBondContact O-N 3.24Å; D230-L233 VanDerWaalsContact O-N 3.08Å; D230-Q234 PolarHBondContact O-N 3.3Å
231P87.6Confident86.3Confident97 Ų9792 Ų9263%0.6349%0.487SS*.Hα-helixtrans-59.7-21.3178-21.933.8000113.9G229 R235G229-P231 VanDerWaalsContact O-CD 3.27Å; G229-P231 WeakPolarHBondContact O-CD 3.4Å; P231-R235 PolarHBondContact O-N 3.07Å
232T88.9Confident86.1Confident83 Ų8391.1 Ų91.151%0.50949%0.493SS..Hα-helixtrans-71.4-40.4177.5-45.50000111.2D230 Q234 R235 I236D230-T232 PolarHBondContact O-N 3.33Å; D230-T232 VanDerWaalsContact O-N 3.07Å; D230-T232 WeakPolarHBondContact OD1-CB 3.45Å; D230-T232 PolarHBondContact OD1-N 3.38Å; D230-T232 PolarHBondContact OD1-OG1 2.97Å; T232-Q234 VanDerWaalsContact C-N 3.34Å; T232-R235 PolarHBondContact O-N 2.88Å; T232-I236 HydrophobicContact CG2-CD1 4.49Å; T232-I236 WeakPolarHBondContact O-CG1 3.11Å; T232-I236 PolarHBondContact O-N 3.23Å
233L89.1Confident85.8Confident26 Ų2695.6 Ų95.614%0.13652%0.521CS..Hα-helixtrans-65.2-41.1177.6-65.4179.1000110.8K225 D230 R235 I236 V237K225-L233 HydrophobicContact CB-CD1 3.51Å; K225-L233 HydrophobicContact CD-CD1 4.46Å; D230-L233 HydrophobicContact CB-CB 4.42Å; D230-L233 HydrophobicContact CB-CD1 3.99Å; D230-L233 HydrophobicContact CB-CG 3.95Å; D230-L233 PolarHBondContact O-N 3.24Å; D230-L233 VanDerWaalsContact O-N 3.08Å; L233-R235 VanDerWaalsContact C-N 3.32Å; L233-R235 PolarHBondContact O-N 2.99Å; L233-I236 PolarHBondContact O-N 2.7Å; L233-I236 VanDerWaalsContact O-N 3.12Å; L233-V237 WeakPolarHBondContact O-CG2 3.49Å; L233-V237 PolarHBondContact O-N 2.87Å
234Q88.1Confident85.2Confident100 Ų10098.2 Ų98.247%0.46754%0.537SS..Hα-helixtrans-58.8-43.8176-171.660.25400111.8D230 T232 I236 V237 D238D230-Q234 PolarHBondContact O-N 3.3Å; T232-Q234 VanDerWaalsContact C-N 3.34Å; Q234-I236 VanDerWaalsContact C-N 3.3Å; Q234-I236 PolarHBondContact O-N 3.43Å; Q234-V237 WeakPolarHBondContact O-CB 3.45Å; Q234-V237 PolarHBondContact O-N 3.35Å; Q234-D238 PolarHBondContact NE2-OD1 3.39Å; Q234-D238 PolarHBondContact O-N 3.44Å
235R90.4Very high83.6Confident187 Ų187100.6 Ų100.671%0.70655%0.548SS*.Hα-helixtrans-62.7-35.6176.7-74.8177.5168.9-178.6-2.6113.2P231 T232 L233 I239P231-R235 PolarHBondContact O-N 3.07Å; T232-R235 PolarHBondContact O-N 2.88Å; L233-R235 VanDerWaalsContact C-N 3.32Å; L233-R235 PolarHBondContact O-N 2.99Å; R235-I239 WeakPolarHBondContact O-CD1 3.41Å; R235-I239 VanDerWaalsContact O-CG1 3.29Å; R235-I239 WeakPolarHBondContact O-CG1 3.33Å; R235-I239 PolarHBondContact O-N 2.54Å
236I91.6Very high82.4Confident60 Ų6099.6 Ų99.631%0.30857%0.565SS.*Hα-helixtrans-68.2-43.9176.8-66.1166.3000109.7I218 T232 L233 Q234 I239 L240I218-I236 HydrophobicContact CG2-CG2 3.79Å; T232-I236 HydrophobicContact CG2-CD1 4.49Å; T232-I236 WeakPolarHBondContact O-CG1 3.11Å; T232-I236 PolarHBondContact O-N 3.23Å; L233-I236 PolarHBondContact O-N 2.7Å; L233-I236 VanDerWaalsContact O-N 3.12Å; Q234-I236 VanDerWaalsContact C-N 3.3Å; Q234-I236 PolarHBondContact O-N 3.43Å; I236-I239 PolarHBondContact O-N 3.38Å; I236-L240 HydrophobicContact CG2-CD1 4.2Å; I236-L240 HydrophobicContact CG2-CG 4.47Å; I236-L240 WeakPolarHBondContact O-CG 3.48Å; I236-L240 PolarHBondContact O-N 3.21Å
237V88.8Confident81.4Confident36 Ų3699.8 Ų99.822%0.21856%0.564CS.*Hα-helixtrans-58.3-47.1174.7167.70000111C222 L233 Q234 I239 L240 Y241C222-V237 HydrophobicContact CB-CG2 3.87Å; L233-V237 WeakPolarHBondContact O-CG2 3.49Å; L233-V237 PolarHBondContact O-N 2.87Å; Q234-V237 WeakPolarHBondContact O-CB 3.45Å; Q234-V237 PolarHBondContact O-N 3.35Å; V237-I239 PolarHBondContact O-N 3.1Å; V237-L240 PolarHBondContact O-N 3.4Å; V237-Y241 HydrophobicContact CG1-CD2 3.69Å; V237-Y241 HydrophobicContact CG1-CE2 3.77Å; V237-Y241 VanDerWaalsContact O-CD2 3.25Å; V237-Y241 WeakPolarHBondContact O-CD2 3.41Å; V237-Y241 PolarHBondContact O-N 3.27Å
238D89.7Confident81Confident91 Ų91101.4 Ų101.449%0.48756%0.557SS.*Hα-helixtrans-59.3-36.2178.2-62.6-16.6000112Q234 A242Q234-D238 PolarHBondContact NE2-OD1 3.39Å; Q234-D238 PolarHBondContact O-N 3.44Å; D238-A242 WeakPolarHBondContact O-CB 3.49Å; D238-A242 PolarHBondContact O-N 2.98Å; D238-A242 VanDerWaalsContact O-N 3.1Å
239I91.8Very high80Confident130 Ų13099.7 Ų99.767%0.66755%0.551SS**Hα-helixtrans-69.7-41.6175-68.1164.5000111.3R235 I236 V237 Y241 A242R235-I239 WeakPolarHBondContact O-CD1 3.41Å; R235-I239 VanDerWaalsContact O-CG1 3.29Å; R235-I239 WeakPolarHBondContact O-CG1 3.33Å; R235-I239 PolarHBondContact O-N 2.54Å; I236-I239 PolarHBondContact O-N 3.38Å; V237-I239 PolarHBondContact O-N 3.1Å; I239-Y241 VanDerWaalsContact C-N 3.29Å; I239-Y241 PolarHBondContact O-N 2.95Å; I239-A242 PolarHBondContact O-N 3.49Å
240L90.6Very high79Confident48 Ų48101.6 Ų101.625%0.25155%0.552SS.*Hα-helixtrans-65.4-33-178.6-71.4174.2000112.7L215 I218 E219 I236 V237L215-L240 HydrophobicContact CB-CD2 4.12Å; L215-L240 HydrophobicContact CD2-CD2 3.65Å; L215-L240 HydrophobicContact CG-CD2 4.41Å; I218-L240 HydrophobicContact CG2-CD1 4.31Å; E219-L240 HydrophobicContact CB-CD1 3.96Å; E219-L240 HydrophobicContact CG-CD1 4.36Å; I236-L240 HydrophobicContact CG2-CD1 4.2Å; I236-L240 HydrophobicContact CG2-CG 4.47Å; I236-L240 WeakPolarHBondContact O-CG 3.48Å; I236-L240 PolarHBondContact O-N 3.21Å; V237-L240 PolarHBondContact O-N 3.4Å
241Y89.3Confident77.3Confident131 Ų131105.3 Ų105.351%0.51457%0.571SS.*THydrogen-bonded Turntrans-99.62.8179.3-65.5-70.2000113.9E219 V237 I239 T243E219-Y241 PolarHBondContact OE1-OH 3.16Å; V237-Y241 HydrophobicContact CG1-CD2 3.69Å; V237-Y241 HydrophobicContact CG1-CE2 3.77Å; V237-Y241 VanDerWaalsContact O-CD2 3.25Å; V237-Y241 WeakPolarHBondContact O-CD2 3.41Å; V237-Y241 PolarHBondContact O-N 3.27Å; I239-Y241 VanDerWaalsContact C-N 3.29Å; I239-Y241 PolarHBondContact O-N 2.95Å; Y241-T243 PolarHBondContact O-N 3.26Å
242A89.4Confident75.4Confident73 Ų73105 Ų10560%0.60358%0.577SS**  trans-61.9130.6174.300000110D238 I239D238-A242 WeakPolarHBondContact O-CB 3.49Å; D238-A242 PolarHBondContact O-N 2.98Å; D238-A242 VanDerWaalsContact O-N 3.1Å; I239-A242 PolarHBondContact O-N 3.49Å
243T83.1Confident73.1Confident101 Ų101109.2 Ų109.262%0.6259%0.591SS**  trans-109.2137.1173.251.90000109.6Y241Y241-T243 PolarHBondContact O-N 3.26Å
244D76.1Confident71.2Confident137 Ų137115.8 Ų115.873%0.73362%0.621SS**  trans-75.3145.9171.2-76.6-39.1000110.5G246 F247D244-G246 PolarHBondContact O-N 3.01Å; D244-F247 WeakPolarHBondContact O-CB 3.4Å; D244-F247 PolarHBondContact O-N 3.34Å
245E54.5Low68.7Low209 Ų209120.7 Ų120.798%0.97764%0.644SS**THydrogen-bonded Turntrans-58.3110.1176.3-69.6-166.6173.200110.4
246G56.2Low66.4Low75 Ų75119.1 Ų119.177%0.77365%0.645SS**THydrogen-bonded Turntrans108.70.2-178.600000115.3D244 V248D244-G246 PolarHBondContact O-N 3.01Å; G246-V248 PolarHBondContact O-N 3.11Å
247F54.6Low63.8Low145 Ų145125.5 Ų125.564%0.63667%0.673SS**  trans-76.2106.2172.3-157.9-95.2000110.6D244 I249D244-F247 WeakPolarHBondContact O-CB 3.4Å; D244-F247 PolarHBondContact O-N 3.34Å; F247-I249 HydrophobicContact CD1-CG1 4.27Å; F247-I249 HydrophobicContact CE1-CG1 4.34Å
248V60.4Low61.3Low122 Ų122137.1 Ų137.174%0.73972%0.721SS**  trans-95.4116.6173.7-174.70000107.8G246 P250G246-V248 PolarHBondContact O-N 3.11Å; V248-P250 WeakPolarHBondContact O-CD 3.47Å
249I59.1Low59.9Low110 Ų110139.5 Ų139.556%0.56473%0.733SS**  trans-72.5111.6171.8-58.3170.8000107.2F247F247-I249 HydrophobicContact CD1-CG1 4.27Å; F247-I249 HydrophobicContact CE1-CG1 4.34Å
250P54.9Low58.2Low105 Ų105139.9 Ų139.968%0.68274%0.737SS**THydrogen-bonded Turntrans-72.6134.6167.8-2.222.5000107.1V248V248-P250 WeakPolarHBondContact O-CD 3.47Å
251D49Very low56.4Low145 Ų145145.1 Ų145.178%0.77576%0.764SS**THydrogen-bonded Turntrans86.338.2-179.1-48-21.6000116.9
252A47.5Very low54.5Low92 Ų92145.9 Ų145.976%0.7678%0.778SS**  trans-9048.5146.100000110.2E254A252-E254 PolarHBondContact O-N 3.2Å
253E41.2Very low52.3Low170 Ų170150.4 Ų150.479%0.79479%0.789SS**  trans-81.2106.9164.4-74.1-172167.100108.1
254E48.7Very low50.3Low164 Ų164153.7 Ų153.777%0.76680%0.801SS**  trans36.985146.6-67.3171.9175.700116.8A252 E256A252-E254 PolarHBondContact O-N 3.2Å; E254-E256 PolarHBondContact O-N 3.37Å
255Q36Very low48.4Very low203 Ų203154.9 Ų154.995%0.94981%0.805SS**  trans-80.881.3142.3-74.3-178.75.400107.6E257Q255-E257 PolarHBondContact O-N 3.26Å
256E41.7Very low48Very low155 Ų155150.8 Ų150.872%0.72479%0.792SS**  trans-61129.2160.1-82.3-172150.800108.8E254E254-E256 PolarHBondContact O-N 3.37Å
257E36.6Very low47.3Very low194 Ų194157.1 Ų157.191%0.90779%0.794SS**  trans-46.2136.5170.1-79.2176.4129.700112.1Q255Q255-E257 PolarHBondContact O-N 3.26Å
258F37.9Very low46.6Very low280 Ų280158.2 Ų158.2100%1.22881%0.808SS**  trans-125.80153-103.7-81.5000109.9

Retrieved 258 of 258 residues in 114.3 ms (Link to these results)

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