A0A060XAD6_ONCMY Loading...

Microtubule-associated protein RP/EB family member 1

AlphaFold DB , UniProt , Accession A0A060XAD6, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 257 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
1M88.2Confident76.9Confident174 Ų17488.4 Ų88.486%0.85751%0.513SS*.  0142.20-68.6-64.7-85.500107.2M85M1-M85 CarbonylContact C-O 3.57Å; M1-M85 WeakPolarHBondContact CA-O 3.34Å
2A95.3Very high75.4Confident11 Ų1189.3 Ų89.39%0.09153%0.529CS..PPolyproline II helixtrans-77.7151.2178.400000111.1F52 M85 V87 F114 N118A2-F52 HydrophobicContact CB-CE1 4.41Å; A2-F52 HydrophobicContact CB-CE2 3.86Å; A2-F52 HydrophobicContact CB-CZ 3.52Å; A2-M85 HydrophobicContact CB-CB 4.12Å; A2-M85 PolarHBondContact N-O 3.48Å; A2-V87 HydrophobicContact CB-CG2 3.77Å; A2-F114 HydrophobicContact CB-CE2 3.92Å; A2-F114 HydrophobicContact CB-CZ 3.96Å; A2-N118 WeakPolarHBondContact CA-OD1 3.11Å
3V95.9Very high75.5Confident85 Ų8594.7 Ų94.752%0.51555%0.554SS.*PPolyproline II helixtrans-78.3119.1167.2-178.90000107.9F114 A117 N118V3-F114 WeakPolarHBondContact O-CE2 3.4Å; V3-A117 HydrophobicContact CG1-CB 4.43Å; V3-N118 PolarHBondContact N-OD1 3.02Å; V3-N118 PolarHBondContact O-ND2 3.4Å
4N94.6Very high76.2Confident44 Ų4495.5 Ų95.524%0.23556%0.555CS.*PPolyproline II helixtrans-80.2147.7176.8-73-64000110.9Y6 G86 V87 D88N4-Y6 HydrophobicContact CB-CE2 4.31Å; N4-G86 PolarHBondContact ND2-O 3.1Å; N4-G86 VanDerWaalsContact ND2-O 3.1Å; N4-V87 VanDerWaalsContact OD1-CA 3.27Å; N4-V87 WeakPolarHBondContact OD1-CA 3.45Å; N4-D88 PolarHBondContact OD1-N 3.42Å; N4-D88 VanDerWaalsContact OD1-N 3.12Å; N4-D88 PolarHBondContact OD1-OD1 3.01Å; N4-D88 VanDerWaalsContact OD1-OD1 3.1Å
5V92Very high77.3Confident24 Ų2492.1 Ų92.115%0.14553%0.533CS..  trans-127.2134.2179.1-175.80000109.1W110 K113 A117V5-W110 PolarHBondContact O-NE1 3.22Å; V5-K113 HydrophobicContact CG1-CB 4Å; V5-A117 HydrophobicContact CG2-CB 3.58Å
6Y84.9Confident78.4Confident137 Ų13789.7 Ų89.754%0.53752%0.523SS..  trans-116.5140.9177.7-51.7-79.2000109.3N4 T8 D88N4-Y6 HydrophobicContact CB-CE2 4.31Å; Y6-T8 PolarHBondContact O-N 2.83Å; Y6-D88 WeakPolarHBondContact CE1-OD2 3.42Å; Y6-D88 PolarHBondContact OH-OD2 3.4Å
7S67.9Low79.4Confident96 Ų9689.9 Ų89.967%0.67151%0.513SS*.  trans-68.899.6172.2-66.30000108.5
8T62.5Low80.4Confident84 Ų8491.5 Ų91.552%0.51552%0.515SS..  trans-106150.8162.263.80000107.4Y6 V10 C11Y6-T8 PolarHBondContact O-N 2.83Å; T8-V10 PolarHBondContact O-N 3.47Å; T8-C11 PolarHBondContact O-N 3.33Å; T8-C11 PolarHBondContact OG1-SG 2.86Å
9S56.7Low81.3Confident136 Ų13691.5 Ų91.595%0.95151%0.514SS*.THydrogen-bonded Turntrans-60.82-176-42.60000114.8
10V55.5Low82.1Confident135 Ų13587 Ų8782%0.81849%0.488SS*.THydrogen-bonded Turntrans-118.25.4-171.9-161.40000112.5T8T8-V10 PolarHBondContact O-N 3.47Å
11C52.2Low82.8Confident46 Ų4683.5 Ų83.531%0.31147%0.468SS..SBendtrans-90.6131178.7-62.90000111.7T8 K113T8-C11 PolarHBondContact O-N 3.33Å; T8-C11 PolarHBondContact OG1-SG 2.86Å; C11-K113 HydrophobicContact CB-CD 4.24Å; C11-K113 PolarHBondContact O-NZ 2.92Å
12S59Low83.3Confident100 Ų10077 Ų7770%0.69944%0.442SS*.  trans-1.8135.2172.8-46.40000117.6N14 K113S12-N14 PolarHBondContact O-N 3.41Å; S12-K113 WeakPolarHBondContact O-CE 3.19Å; S12-K113 PolarHBondContact O-NZ 3.05Å
13D76.9Confident83.5Confident159 Ų15977.9 Ų77.985%0.8544%0.443SS*.  trans-42127.2179.7-62.1-33.9000112.2
14N85.9Confident83.6Confident106 Ų10673.9 Ų73.957%0.56742%0.419SS*.PPolyproline II helixtrans-64.9136.1177.6-67.8-33.8000109.2S12 K113S12-N14 PolarHBondContact O-N 3.41Å; N14-K113 WeakPolarHBondContact OD1-CE 3.36Å; N14-K113 PolarHBondContact OD1-NZ 3.09Å
15L92.4Very high83.7Confident45 Ų4573.3 Ų73.324%0.23642%0.416CS..PPolyproline II helixtrans-69.5147.3179.1-80.673.3000110.2D19 M20 Q109 K112L15-D19 HydrophobicContact CB-CB 4.3Å; L15-D19 HydrophobicContact CD2-CB 4.21Å; L15-D19 HydrophobicContact CG-CB 4.42Å; L15-M20 HydrophobicContact CB-CB 4.47Å; L15-M20 HydrophobicContact CB-CE 3.95Å; L15-Q109 PolarHBondContact O-NE2 3.25Å; L15-K112 HydrophobicContact CD1-CG 4.03Å; L15-K112 HydrophobicContact CD2-CG 4.47Å
16S95.1Very high84Confident53 Ų5379.3 Ų79.337%0.37144%0.443SS..PPolyproline II helixtrans-65.2163168.181.70000110.7H18 D19 M20S16-H18 PolarHBondContact O-N 3.24Å; S16-H18 PolarHBondContact OG-N 3.06Å; S16-D19 WeakPolarHBondContact CB-OD2 3.48Å; S16-D19 PolarHBondContact O-N 2.89Å; S16-D19 PolarHBondContact OG-N 2.97Å; S16-D19 PolarHBondContact OG-OD2 2.84Å; S16-M20 WeakPolarHBondContact O-CB 3.47Å; S16-M20 PolarHBondContact O-N 3.35Å
17R95.6Very high84.6Confident94 Ų9474.3 Ų74.336%0.35543%0.428SS..Hα-helixtrans-53.2-42.9172.9171.9-179.857.7114.8-6.7112.2L21 I35 F101 F105R17-L21 HydrophobicContact CG-CD1 4.38Å; R17-L21 WeakPolarHBondContact O-CG 3.38Å; R17-L21 PolarHBondContact O-N 3.09Å; R17-L21 VanDerWaalsContact O-N 3.12Å; R17-I35 HydrophobicContact CG-CG1 4.02Å; R17-F101 HydrophobicContact CG-CE2 4.28Å; R17-F105 HydrophobicContact CB-CE2 4.32Å; R17-F105 HydrophobicContact CB-CZ 4.44Å
18H96.2Very high85.9Confident118 Ų11869.8 Ų69.855%0.54640%0.396SS..Hα-helixtrans-67.8-46.9-177.8-71.2101.1000111.2S16 M20 L21 A22S16-H18 PolarHBondContact O-N 3.24Å; S16-H18 PolarHBondContact OG-N 3.06Å; H18-M20 VanDerWaalsContact C-N 3.29Å; H18-M20 PolarHBondContact O-N 3.29Å; H18-L21 PolarHBondContact O-N 3.29Å; H18-A22 WeakPolarHBondContact O-CB 2.89Å; H18-A22 PolarHBondContact O-N 3.05Å
19D97.4Very high87.5Confident92 Ų9271.4 Ų71.449%0.49240%0.397SS..Hα-helixtrans-66-35.5179.8-55-41.4000111.6L15 S16 A22 W23L15-D19 HydrophobicContact CB-CB 4.3Å; L15-D19 HydrophobicContact CD2-CB 4.21Å; L15-D19 HydrophobicContact CG-CB 4.42Å; S16-D19 WeakPolarHBondContact CB-OD2 3.48Å; S16-D19 PolarHBondContact O-N 2.89Å; S16-D19 PolarHBondContact OG-N 2.97Å; S16-D19 PolarHBondContact OG-OD2 2.84Å; D19-A22 PolarHBondContact O-N 3.08Å; D19-W23 WeakPolarHBondContact O-CB 2.69Å; D19-W23 PolarHBondContact O-N 2.72Å
20M97.9Very high89.3Confident0 Ų066.1 Ų66.10%036%0.358CS..Hα-helixtrans-63-45.3175.1-171.664.974.200111.6L15 S16 H18 W23 I24 I35 F105 V108 Q109 K112L15-M20 HydrophobicContact CB-CB 4.47Å; L15-M20 HydrophobicContact CB-CE 3.95Å; S16-M20 WeakPolarHBondContact O-CB 3.47Å; S16-M20 PolarHBondContact O-N 3.35Å; H18-M20 VanDerWaalsContact C-N 3.29Å; H18-M20 PolarHBondContact O-N 3.29Å; M20-W23 HydrophobicContact SD-CE3 3.53Å; M20-W23 VanDerWaalsContact SD-CE3 3.53Å; M20-W23 HydrophobicContact SD-CZ3 3.73Å; M20-I24 HydrophobicContact CG-CD1 4.17Å; M20-I24 WeakPolarHBondContact O-CD1 3.46Å; M20-I24 VanDerWaalsContact O-CG1 3.26Å; M20-I24 WeakPolarHBondContact O-CG1 3.39Å; M20-I24 PolarHBondContact O-N 2.78Å; M20-I24 VanDerWaalsContact O-N 3.12Å; M20-I24 HydrophobicContact SD-CD1 4.49Å; M20-I35 HydrophobicContact CB-CD1 4.15Å; M20-I35 HydrophobicContact CG-CD1 3.84Å; M20-F105 HydrophobicContact CB-CE2 4.38Å; M20-V108 HydrophobicContact CE-CG1 4.09Å; M20-V108 HydrophobicContact CE-CG2 4.49Å; M20-V108 HydrophobicContact CG-CG1 3.79Å; M20-V108 HydrophobicContact CG-CG2 3.99Å; M20-V108 HydrophobicContact SD-CB 4.48Å; M20-V108 HydrophobicContact SD-CG1 4.1Å; M20-V108 HydrophobicContact SD-CG2 3.69Å; M20-Q109 HydrophobicContact CE-CG 4.2Å; M20-K112 HydrophobicContact CE-CB 4Å; M20-K112 HydrophobicContact CE-CG 4.45Å; M20-K112 HydrophobicContact SD-CB 4.2Å
21L97.8Very high91.1Very high14 Ų1465.9 Ų65.97%0.07335%0.352CS..Hα-helixtrans-65.8-42.6176.4-74172.8000111.7R17 H18 I24 N25 L32 I35R17-L21 HydrophobicContact CG-CD1 4.38Å; R17-L21 WeakPolarHBondContact O-CG 3.38Å; R17-L21 PolarHBondContact O-N 3.09Å; R17-L21 VanDerWaalsContact O-N 3.12Å; H18-L21 PolarHBondContact O-N 3.29Å; L21-I24 PolarHBondContact O-N 3.37Å; L21-N25 VanDerWaalsContact O-CB 3.26Å; L21-N25 WeakPolarHBondContact O-CB 3.28Å; L21-N25 PolarHBondContact O-N 3.48Å; L21-N25 PolarHBondContact O-ND2 2.87Å; L21-L32 HydrophobicContact CD2-CB 3.86Å; L21-I35 HydrophobicContact CD2-CD1 3.8Å; L21-I35 HydrophobicContact CD2-CG1 4.29Å; L21-I35 HydrophobicContact CG-CD1 3.85Å; L21-I35 HydrophobicContact CG-CG1 4.29Å
22A98.1Very high93.1Very high37 Ų3764.1 Ų64.131%0.30634%0.34SS..Hα-helixtrans-57.9-51176.300000110.8H18 D19 I24 N25 E26H18-A22 WeakPolarHBondContact O-CB 2.89Å; H18-A22 PolarHBondContact O-N 3.05Å; D19-A22 PolarHBondContact O-N 3.08Å; A22-I24 VanDerWaalsContact C-N 3.33Å; A22-I24 PolarHBondContact O-N 2.93Å; A22-N25 PolarHBondContact O-N 3.4Å; A22-E26 WeakPolarHBondContact O-CB 3.36Å; A22-E26 VanDerWaalsContact O-CG 3.29Å; A22-E26 WeakPolarHBondContact O-CG 3.35Å; A22-E26 PolarHBondContact O-N 3.16Å
23W98.1Very high94.8Very high30 Ų3063.7 Ų63.711%0.11433%0.333CS..Hα-helixtrans-54.4-47.4177165.960000112.3D19 M20 S27 F47 V108 F111 K112 F115D19-W23 WeakPolarHBondContact O-CB 2.69Å; D19-W23 PolarHBondContact O-N 2.72Å; M20-W23 HydrophobicContact SD-CE3 3.53Å; M20-W23 VanDerWaalsContact SD-CE3 3.53Å; M20-W23 HydrophobicContact SD-CZ3 3.73Å; W23-S27 VanDerWaalsContact CD1-OG 3.3Å; W23-S27 PolarHBondContact NE1-OG 2.9Å; W23-S27 WeakPolarHBondContact O-CB 3.44Å; W23-S27 PolarHBondContact O-N 3.18Å; W23-S27 PolarHBondContact O-OG 3.19Å; W23-F47 HydrophobicContact CH2-CE1 4.23Å; W23-F47 HydrophobicContact CH2-CE2 4.03Å; W23-F47 AromaticContact CH2-CZ 3.8Å; W23-F47 HydrophobicContact CH2-CZ 3.8Å; W23-F47 HydrophobicContact CZ2-CD1 4.49Å; W23-F47 AromaticContact CZ2-CE1 3.78Å; W23-F47 HydrophobicContact CZ2-CE1 3.78Å; W23-F47 HydrophobicContact CZ2-CE2 4.39Å; W23-F47 AromaticContact CZ2-CZ 3.71Å; W23-F47 HydrophobicContact CZ2-CZ 3.71Å; W23-F47 HydrophobicContact CZ3-CE2 4.43Å; W23-F47 HydrophobicContact CZ3-CZ 4.31Å; W23-V108 HydrophobicContact CZ3-CG2 4.43Å; W23-F111 HydrophobicContact CH2-CD1 4.32Å; W23-K112 HydrophobicContact CD2-CD 3.57Å; W23-K112 VanDerWaalsContact CE2-CD 3.46Å; W23-K112 HydrophobicContact CE3-CB 4.49Å; W23-K112 HydrophobicContact CE3-CD 3.65Å; W23-K112 HydrophobicContact CE3-CG 4.41Å; W23-K112 HydrophobicContact CG-CD 4.32Å; W23-K112 HydrophobicContact CH2-CB 4.17Å; W23-K112 HydrophobicContact CH2-CD 3.6Å; W23-K112 HydrophobicContact CH2-CG 4.49Å; W23-K112 HydrophobicContact CZ2-CD 3.5Å; W23-K112 VanDerWaalsContact CZ2-CD 3.5Å; W23-K112 HydrophobicContact CZ3-CB 3.96Å; W23-K112 HydrophobicContact CZ3-CD 3.68Å; W23-K112 HydrophobicContact CZ3-CG 4.31Å; W23-F115 HydrophobicContact CH2-CB 4.36Å; W23-F115 HydrophobicContact CH2-CG 4.45Å; W23-F115 HydrophobicContact CZ2-CB 4.12Å; W23-F115 AromaticContact CZ2-CD1 3.84Å; W23-F115 HydrophobicContact CZ2-CD1 3.84Å; W23-F115 HydrophobicContact CZ2-CD2 4.24Å; W23-F115 HydrophobicContact CZ2-CE1 4.35Å; W23-F115 AromaticContact CZ2-CG 3.79Å; W23-F115 HydrophobicContact CZ2-CG 3.79Å
24I98.3Very high95.6Very high1 Ų161.1 Ų61.11%0.00532%0.315CS..Hα-helixtrans-67.3-44.8-178.4-64.2167.6000111.3M20 L21 A22 S27 L28 I30 L32 L38 F47 V108M20-I24 HydrophobicContact CG-CD1 4.17Å; M20-I24 WeakPolarHBondContact O-CD1 3.46Å; M20-I24 VanDerWaalsContact O-CG1 3.26Å; M20-I24 WeakPolarHBondContact O-CG1 3.39Å; M20-I24 PolarHBondContact O-N 2.78Å; M20-I24 VanDerWaalsContact O-N 3.12Å; M20-I24 HydrophobicContact SD-CD1 4.49Å; L21-I24 PolarHBondContact O-N 3.37Å; A22-I24 VanDerWaalsContact C-N 3.33Å; A22-I24 PolarHBondContact O-N 2.93Å; I24-S27 PolarHBondContact O-N 2.89Å; I24-L28 HydrophobicContact CG2-CD1 4.35Å; I24-L28 WeakPolarHBondContact O-CB 3.32Å; I24-L28 PolarHBondContact O-N 3.29Å; I24-I30 HydrophobicContact CG2-CD1 3.9Å; I24-I30 HydrophobicContact CG2-CG1 4.41Å; I24-L32 HydrophobicContact CG2-CD1 3.73Å; I24-L38 HydrophobicContact CD1-CD1 3.74Å; I24-L38 HydrophobicContact CD1-CD2 4.01Å; I24-L38 HydrophobicContact CD1-CG 4.44Å; I24-L38 HydrophobicContact CG2-CD2 4.48Å; I24-F47 HydrophobicContact CB-CZ 4.43Å; I24-F47 HydrophobicContact CG1-CE2 4.11Å; I24-F47 HydrophobicContact CG1-CZ 4.17Å; I24-F47 HydrophobicContact CG2-CE2 4.12Å; I24-F47 HydrophobicContact CG2-CZ 4.3Å; I24-V108 HydrophobicContact CD1-CG2 3.81Å
25N97.5Very high96.2Very high32 Ų3256.1 Ų56.117%0.17129%0.288CS..Hα-helixtrans-65.2-41.4-178.3-73.5-17.3000111.7L21 A22 Q29 I30 L32L21-N25 VanDerWaalsContact O-CB 3.26Å; L21-N25 WeakPolarHBondContact O-CB 3.28Å; L21-N25 PolarHBondContact O-N 3.48Å; L21-N25 PolarHBondContact O-ND2 2.87Å; A22-N25 PolarHBondContact O-N 3.4Å; N25-Q29 WeakPolarHBondContact O-CA 3.09Å; N25-Q29 PolarHBondContact O-N 3.09Å; N25-I30 WeakPolarHBondContact CA-O 3.23Å; N25-I30 VanDerWaalsContact CB-O 3.22Å; N25-I30 WeakPolarHBondContact CB-O 3.37Å; N25-I30 VanDerWaalsContact CG-O 3.25Å; N25-I30 PolarHBondContact O-N 3.45Å; N25-I30 VanDerWaalsContact O-N 3.16Å; N25-I30 PolarHBondContact OD1-O 3.36Å; N25-L32 PolarHBondContact ND2-O 3.43Å; N25-L32 WeakPolarHBondContact OD1-CB 3.39Å; N25-L32 PolarHBondContact OD1-N 2.98Å
26E97.5Very high96.4Very high151 Ų15155.9 Ų55.971%0.70629%0.286SS*.Hα-helixtrans-69.2-46.1176.4-70.3171-169.400111.4A22 L28A22-E26 WeakPolarHBondContact O-CB 3.36Å; A22-E26 VanDerWaalsContact O-CG 3.29Å; A22-E26 WeakPolarHBondContact O-CG 3.35Å; A22-E26 PolarHBondContact O-N 3.16Å; E26-L28 PolarHBondContact O-N 2.87Å
27S97.3Very high96.5Very high32 Ų3255.7 Ų55.722%0.22428%0.28CS..Hα-helixtrans-66.4-38.5-176.8-58.40000112.9W23 I24 M50W23-S27 VanDerWaalsContact CD1-OG 3.3Å; W23-S27 PolarHBondContact NE1-OG 2.9Å; W23-S27 WeakPolarHBondContact O-CB 3.44Å; W23-S27 PolarHBondContact O-N 3.18Å; W23-S27 PolarHBondContact O-OG 3.19Å; I24-S27 PolarHBondContact O-N 2.89Å; S27-M50 WeakPolarHBondContact O-CE 3.36Å
28L96.8Very high96.6Very high0 Ų051.3 Ų51.30%026%0.263CS..Hα-helixtrans-105-1.3-176.4-59.8-175.4000113.3I24 E26 I30 A43 Q46 F47 M50 P126 R130I24-L28 HydrophobicContact CG2-CD1 4.35Å; I24-L28 WeakPolarHBondContact O-CB 3.32Å; I24-L28 PolarHBondContact O-N 3.29Å; E26-L28 PolarHBondContact O-N 2.87Å; L28-I30 VanDerWaalsContact C-N 3.34Å; L28-I30 HydrophobicContact CB-CD1 4.18Å; L28-I30 HydrophobicContact CB-CG1 4.14Å; L28-I30 HydrophobicContact CB-CG2 4.12Å; L28-I30 HydrophobicContact CD1-CD1 4.26Å; L28-I30 WeakPolarHBondContact O-CG2 3.37Å; L28-I30 PolarHBondContact O-N 3.49Å; L28-A43 HydrophobicContact CD1-CB 3.87Å; L28-Q46 HydrophobicContact CD1-CB 4.36Å; L28-Q46 HydrophobicContact CD2-CB 4.27Å; L28-Q46 HydrophobicContact CD2-CG 3.9Å; L28-F47 HydrophobicContact CD1-CD1 4.48Å; L28-F47 HydrophobicContact CD1-CD2 3.87Å; L28-F47 HydrophobicContact CD1-CE1 4.26Å; L28-F47 HydrophobicContact CD1-CE2 3.61Å; L28-F47 HydrophobicContact CD1-CG 4.31Å; L28-F47 HydrophobicContact CD1-CZ 3.83Å; L28-F47 HydrophobicContact CD2-CD1 3.96Å; L28-F47 HydrophobicContact CD2-CE1 3.91Å; L28-F47 HydrophobicContact CD2-CG 4.38Å; L28-F47 HydrophobicContact CD2-CZ 4.28Å; L28-F47 HydrophobicContact CG-CD1 4.33Å; L28-F47 HydrophobicContact CG-CE1 3.89Å; L28-F47 HydrophobicContact CG-CE2 4.1Å; L28-F47 HydrophobicContact CG-CZ 3.76Å; L28-M50 HydrophobicContact CD2-CE 3.71Å; L28-P126 HydrophobicContact CD2-CB 4.44Å; L28-P126 VanDerWaalsContact O-CB 3.32Å; L28-P126 WeakPolarHBondContact O-CB 3.49Å; L28-P126 WeakPolarHBondContact O-CG 3.39Å; L28-R130 PolarHBondContact O-NH1 2.85Å; L28-R130 PolarHBondContact O-NH2 2.95Å; L28-R130 VanDerWaalsContact O-NH2 3.08Å
29Q95.8Very high96.7Very high118 Ų11846.3 Ų46.355%0.55124%0.242SC*.THydrogen-bonded Turntrans48.356.7-172.9-60.6-175.50.100111.5N25 P126 V127 R130N25-Q29 WeakPolarHBondContact O-CA 3.09Å; N25-Q29 PolarHBondContact O-N 3.09Å; Q29-P126 HydrophobicContact CB-CG 3.99Å; Q29-P126 HydrophobicContact CG-CG 3.81Å; Q29-V127 HydrophobicContact CB-CG2 4.04Å; Q29-R130 PolarHBondContact O-NH2 3.08Å
30I94.3Very high96.7Very high25 Ų2542.3 Ų42.313%0.12822%0.221CC..  trans-126.3173.6176.665.3179.1000110I24 N25 L28 L32 T135I24-I30 HydrophobicContact CG2-CD1 3.9Å; I24-I30 HydrophobicContact CG2-CG1 4.41Å; N25-I30 WeakPolarHBondContact CA-O 3.23Å; N25-I30 VanDerWaalsContact CB-O 3.22Å; N25-I30 WeakPolarHBondContact CB-O 3.37Å; N25-I30 VanDerWaalsContact CG-O 3.25Å; N25-I30 PolarHBondContact O-N 3.45Å; N25-I30 VanDerWaalsContact O-N 3.16Å; N25-I30 PolarHBondContact OD1-O 3.36Å; L28-I30 VanDerWaalsContact C-N 3.34Å; L28-I30 HydrophobicContact CB-CD1 4.18Å; L28-I30 HydrophobicContact CB-CG1 4.14Å; L28-I30 HydrophobicContact CB-CG2 4.12Å; L28-I30 HydrophobicContact CD1-CD1 4.26Å; L28-I30 WeakPolarHBondContact O-CG2 3.37Å; L28-I30 PolarHBondContact O-N 3.49Å; I30-L32 HydrophobicContact CD1-CD1 3.81Å; I30-L32 HydrophobicContact CD1-CD2 4.21Å; I30-L32 HydrophobicContact CD1-CG 3.68Å; I30-L32 HydrophobicContact CG1-CG 4.11Å; I30-T135 HydrophobicContact CG2-CG2 3.69Å; I30-T135 WeakPolarHBondContact CG2-OG1 3.47Å
31N93.3Very high96.7Very high130 Ų13042.3 Ų42.370%0.69522%0.221SC*.  trans-126.969.7-178.9-168.8-1.9000111.3
32L93.5Very high96.8Very high10 Ų1041.8 Ų41.85%0.05222%0.219CC..  trans-77.7125.5169.8-60.4-177.2000109.6L21 I24 N25 I30 L37 L38 M136L21-L32 HydrophobicContact CD2-CB 3.86Å; I24-L32 HydrophobicContact CG2-CD1 3.73Å; N25-L32 PolarHBondContact ND2-O 3.43Å; N25-L32 WeakPolarHBondContact OD1-CB 3.39Å; N25-L32 PolarHBondContact OD1-N 2.98Å; I30-L32 HydrophobicContact CD1-CD1 3.81Å; I30-L32 HydrophobicContact CD1-CD2 4.21Å; I30-L32 HydrophobicContact CD1-CG 3.68Å; I30-L32 HydrophobicContact CG1-CG 4.11Å; L32-L37 HydrophobicContact CD2-CB 3.84Å; L32-L37 HydrophobicContact CD2-CD1 4.25Å; L32-L38 HydrophobicContact CD1-CD2 3.52Å; L32-L38 HydrophobicContact CD1-CG 4.09Å; L32-M136 HydrophobicContact CD2-CG 4.35Å
33T94.9Very high96.8Very high91 Ų9140.5 Ų40.556%0.55821%0.208SC*.  trans-98.7-16.6175.854.60000112.7
34K94.7Very high96.8Very high105 Ų10539.1 Ų39.146%0.45720%0.203SC..  trans-142.4141.3-174.6-64.8-172.2-176.1-171.90110.2E36 L37K34-E36 WeakPolarHBondContact CB-OE2 3.47Å; K34-E36 PolarHBondContact O-N 2.98Å; K34-L37 HydrophobicContact CB-CD1 4.38Å; K34-L37 HydrophobicContact CB-CG 4.16Å; K34-L37 WeakPolarHBondContact O-CB 3.41Å; K34-L37 PolarHBondContact O-N 3.3Å
35I97.9Very high96.8Very high0 Ų039 Ų390%020%0.202CC..G310 helixtrans-64-33.7179.6-70.2-68.1000110.8R17 M20 L21 L37 L38 F101 N104 F105 V108R17-I35 HydrophobicContact CG-CG1 4.02Å; M20-I35 HydrophobicContact CB-CD1 4.15Å; M20-I35 HydrophobicContact CG-CD1 3.84Å; L21-I35 HydrophobicContact CD2-CD1 3.8Å; L21-I35 HydrophobicContact CD2-CG1 4.29Å; L21-I35 HydrophobicContact CG-CD1 3.85Å; L21-I35 HydrophobicContact CG-CG1 4.29Å; I35-L37 PolarHBondContact O-N 3.19Å; I35-L37 VanDerWaalsContact O-N 3.07Å; I35-L38 HydrophobicContact CD1-CD1 4.44Å; I35-L38 HydrophobicContact CG2-CD1 4.36Å; I35-L38 VanDerWaalsContact O-CB 3.24Å; I35-L38 WeakPolarHBondContact O-CB 3.26Å; I35-L38 WeakPolarHBondContact O-CG 3.22Å; I35-L38 PolarHBondContact O-N 2.87Å; I35-F101 HydrophobicContact CB-CD2 4.04Å; I35-F101 HydrophobicContact CB-CE2 3.92Å; I35-F101 HydrophobicContact CG1-CE2 3.98Å; I35-F101 HydrophobicContact CG2-CD2 4.42Å; I35-F101 HydrophobicContact CG2-CE2 4.4Å; I35-N104 HydrophobicContact CG2-CB 3.92Å; I35-F105 HydrophobicContact CD1-CD2 4.14Å; I35-F105 HydrophobicContact CD1-CE2 4.43Å; I35-F105 HydrophobicContact CG1-CD2 4.01Å; I35-F105 HydrophobicContact CG1-CE2 4.49Å; I35-F105 HydrophobicContact CG2-CB 4.03Å; I35-F105 HydrophobicContact CG2-CD2 4.09Å; I35-V108 HydrophobicContact CD1-CG1 4.45Å; I35-V108 HydrophobicContact CG2-CG1 4.43Å
36E97.3Very high96.9Very high41 Ų4137.6 Ų37.619%0.19220%0.195CC..G310 helixtrans-54.8-27.4177.8-6392.4139.700112.4K34 L38 C39 G99 F101K34-E36 WeakPolarHBondContact CB-OE2 3.47Å; K34-E36 PolarHBondContact O-N 2.98Å; E36-L38 PolarHBondContact O-N 3.09Å; E36-C39 WeakPolarHBondContact O-CB 3.45Å; E36-C39 PolarHBondContact O-N 2.89Å; E36-C39 PolarHBondContact O-SG 2.89Å; E36-G99 WeakPolarHBondContact CB-O 3.29Å; E36-G99 WeakPolarHBondContact CG-O 3.35Å; E36-F101 HydrophobicContact CG-CB 4.08Å
37L96.1Very high96.9Very high49 Ų4930.5 Ų30.526%0.25716%0.161SC..G310 helixtrans-70.3-15.1179.4-60.9179.4000113.1L32 K34 I35 C39 S40 M136L32-L37 HydrophobicContact CD2-CB 3.84Å; L32-L37 HydrophobicContact CD2-CD1 4.25Å; K34-L37 HydrophobicContact CB-CD1 4.38Å; K34-L37 HydrophobicContact CB-CG 4.16Å; K34-L37 WeakPolarHBondContact O-CB 3.41Å; K34-L37 PolarHBondContact O-N 3.3Å; I35-L37 PolarHBondContact O-N 3.19Å; I35-L37 VanDerWaalsContact O-N 3.07Å; L37-C39 PolarHBondContact O-N 2.8Å; L37-S40 PolarHBondContact O-N 3.48Å; L37-S40 PolarHBondContact O-OG 3.1Å; L37-M136 HydrophobicContact CB-CE 4.05Å; L37-M136 HydrophobicContact CD1-CE 4.25Å; L37-M136 HydrophobicContact CD2-CE 3.73Å; L37-M136 HydrophobicContact CG-CE 4.21Å
38L98.2Very high97Very high1 Ų129 Ų291%0.00515%0.151CC..G310 helixtrans-65.6-12.8168.5-63.5169.9000112.4I24 L32 I35 E36 S40 G41 A43 Y44 Y75 V108I24-L38 HydrophobicContact CD1-CD1 3.74Å; I24-L38 HydrophobicContact CD1-CD2 4.01Å; I24-L38 HydrophobicContact CD1-CG 4.44Å; I24-L38 HydrophobicContact CG2-CD2 4.48Å; L32-L38 HydrophobicContact CD1-CD2 3.52Å; L32-L38 HydrophobicContact CD1-CG 4.09Å; I35-L38 HydrophobicContact CD1-CD1 4.44Å; I35-L38 HydrophobicContact CG2-CD1 4.36Å; I35-L38 VanDerWaalsContact O-CB 3.24Å; I35-L38 WeakPolarHBondContact O-CB 3.26Å; I35-L38 WeakPolarHBondContact O-CG 3.22Å; I35-L38 PolarHBondContact O-N 2.87Å; E36-L38 PolarHBondContact O-N 3.09Å; L38-S40 PolarHBondContact O-N 3.17Å; L38-G41 PolarHBondContact O-N 3.11Å; L38-A43 HydrophobicContact CD2-CB 3.75Å; L38-Y44 HydrophobicContact CB-CE2 4.02Å; L38-Y75 PolarHBondContact O-OH 3.3Å; L38-V108 HydrophobicContact CD1-CB 3.91Å; L38-V108 HydrophobicContact CD1-CG1 4.32Å; L38-V108 HydrophobicContact CD1-CG2 3.63Å
39C98.2Very high97Very high14 Ų1430.2 Ų30.210%0.09516%0.157CC..G310 helixtrans-55.9-20.8172.670.10000113.4E36 L37 G41 F71 Y75 L96 N104E36-C39 WeakPolarHBondContact O-CB 3.45Å; E36-C39 PolarHBondContact O-N 2.89Å; E36-C39 PolarHBondContact O-SG 2.89Å; L37-C39 PolarHBondContact O-N 2.8Å; C39-G41 PolarHBondContact O-N 3.49Å; C39-F71 WeakPolarHBondContact O-CB 3.47Å; C39-Y75 VanDerWaalsContact O-CE2 3.26Å; C39-Y75 WeakPolarHBondContact O-CE2 3.38Å; C39-L96 WeakPolarHBondContact CB-O 3.5Å; C39-N104 PolarHBondContact N-OD1 2.94Å
40S98Very high97.1Very high7 Ų724.9 Ų24.95%0.04913%0.132CC..G310 helixtrans-65.7-2217666.80000114.1L37 L38 A42 F71 N74L37-S40 PolarHBondContact O-N 3.48Å; L37-S40 PolarHBondContact O-OG 3.1Å; L38-S40 PolarHBondContact O-N 3.17Å; S40-A42 PolarHBondContact O-N 2.83Å; S40-A42 VanDerWaalsContact O-N 3.12Å; S40-F71 VanDerWaalsContact CA-CD1 3.46Å; S40-N74 VanDerWaalsContact O-CB 3.28Å; S40-N74 WeakPolarHBondContact O-CB 3.47Å; S40-N74 PolarHBondContact O-ND2 3.42Å
41G98.3Very high97.2Very high0 Ų023.8 Ų23.80%013%0.127CC..SBendtrans71.9-7.1-176.700000115.2L38 C39 C45L38-G41 PolarHBondContact O-N 3.11Å; C39-G41 PolarHBondContact O-N 3.49Å; G41-C45 PolarHBondContact O-N 3.25Å; G41-C45 PolarHBondContact O-SG 3.17Å
42A98.1Very high97.4Very high4 Ų419.1 Ų19.13%0.03310%0.1CC..Hα-helixtrans-68.6-42.8-175.100000112.4S40 Y44 C45 Q46 V61 F63S40-A42 PolarHBondContact O-N 2.83Å; S40-A42 VanDerWaalsContact O-N 3.12Å; A42-Y44 VanDerWaalsContact C-N 3.35Å; A42-Y44 PolarHBondContact O-N 2.86Å; A42-C45 WeakPolarHBondContact O-CB 3.26Å; A42-C45 PolarHBondContact O-N 2.96Å; A42-Q46 PolarHBondContact O-N 2.88Å; A42-V61 HydrophobicContact CB-CG1 3.94Å; A42-F63 HydrophobicContact CB-CD1 4.05Å; A42-F63 HydrophobicContact CB-CE1 4.49Å
43A98.3Very high97.5Very high9 Ų923 Ų237%0.07413%0.126CC..Hα-helixtrans-59.2-44.9177.400000111.6L28 L38 C45 Q46 F47L28-A43 HydrophobicContact CD1-CB 3.87Å; L38-A43 HydrophobicContact CD2-CB 3.75Å; A43-C45 VanDerWaalsContact C-N 3.35Å; A43-C45 PolarHBondContact O-N 3.49Å; A43-Q46 PolarHBondContact O-N 3.44Å; A43-Q46 VanDerWaalsContact O-N 3.13Å; A43-F47 VanDerWaalsContact O-CD2 3.3Å; A43-F47 WeakPolarHBondContact O-CD2 3.5Å; A43-F47 PolarHBondContact O-N 3.13Å
44Y98.8Very high97.5Very high1 Ų121 Ų210%0.00412%0.124CC..Hα-helixtrans-63.9-38.1177-60.6-55.7000112.8L38 A42 Q46 F47 M48 Y75 L78 Y107 V108 F111L38-Y44 HydrophobicContact CB-CE2 4.02Å; A42-Y44 VanDerWaalsContact C-N 3.35Å; A42-Y44 PolarHBondContact O-N 2.86Å; Y44-Q46 VanDerWaalsContact C-N 3.28Å; Y44-Q46 PolarHBondContact O-N 3.03Å; Y44-F47 PolarHBondContact O-N 3.41Å; Y44-M48 WeakPolarHBondContact O-CG 3.21Å; Y44-M48 PolarHBondContact O-N 2.86Å; Y44-Y75 HydrophobicContact CD2-CE1 4.26Å; Y44-L78 HydrophobicContact CD2-CD2 4.35Å; Y44-L78 HydrophobicContact CG-CD2 4.2Å; Y44-Y107 HydrophobicContact CD1-CE1 4.21Å; Y44-Y107 HydrophobicContact CD2-CE1 4.09Å; Y44-Y107 HydrophobicContact CE1-CD1 4.07Å; Y44-Y107 AromaticContact CE1-CE1 3.94Å; Y44-Y107 HydrophobicContact CE1-CE1 3.94Å; Y44-Y107 AromaticContact CE2-CD1 3.89Å; Y44-Y107 HydrophobicContact CE2-CD1 3.89Å; Y44-Y107 AromaticContact CE2-CE1 3.83Å; Y44-Y107 HydrophobicContact CE2-CE1 3.83Å; Y44-Y107 HydrophobicContact CG-CE1 4.29Å; Y44-Y107 AromaticContact CZ-CD1 3.59Å; Y44-Y107 AromaticContact CZ-CE1 3.76Å; Y44-V108 HydrophobicContact CE1-CG2 4.22Å; Y44-V108 WeakPolarHBondContact OH-CB 3.38Å; Y44-F111 HydrophobicContact CD1-CB 4.42Å; Y44-F111 AromaticContact CD1-CD1 3.81Å; Y44-F111 HydrophobicContact CD1-CD1 3.81Å; Y44-F111 AromaticContact CD1-CD2 3.66Å; Y44-F111 HydrophobicContact CD1-CD2 3.66Å; Y44-F111 AromaticContact CD1-CE1 3.94Å; Y44-F111 HydrophobicContact CD1-CE1 3.94Å; Y44-F111 AromaticContact CD1-CE2 3.79Å; Y44-F111 HydrophobicContact CD1-CE2 3.79Å; Y44-F111 AromaticContact CD1-CG 3.68Å; Y44-F111 HydrophobicContact CD1-CG 3.68Å; Y44-F111 AromaticContact CD1-CZ 3.94Å; Y44-F111 HydrophobicContact CD1-CZ 3.94Å; Y44-F111 HydrophobicContact CE1-CB 4.04Å; Y44-F111 HydrophobicContact CE1-CD1 4.04Å; Y44-F111 HydrophobicContact CE1-CD2 4.12Å; Y44-F111 AromaticContact CE1-CG 3.78Å; Y44-F111 HydrophobicContact CE1-CG 3.78Å; Y44-F111 HydrophobicContact CG-CD2 4.49Å; Y44-F111 HydrophobicContact CG-CE2 4.39Å
45C98.6Very high97.6Very high0 Ų016.2 Ų16.20%010%0.104CC..Hα-helixtrans-61.2-40.6173.5-68.30000111.5G41 A42 A43 M48 D49 V56 V61 N74G41-C45 PolarHBondContact O-N 3.25Å; G41-C45 PolarHBondContact O-SG 3.17Å; A42-C45 WeakPolarHBondContact O-CB 3.26Å; A42-C45 PolarHBondContact O-N 2.96Å; A43-C45 VanDerWaalsContact C-N 3.35Å; A43-C45 PolarHBondContact O-N 3.49Å; C45-M48 PolarHBondContact O-N 3.23Å; C45-D49 PolarHBondContact O-N 2.99Å; C45-D49 VanDerWaalsContact O-N 3.17Å; C45-V56 HydrophobicContact CB-CG1 4.04Å; C45-V61 HydrophobicContact CB-CG1 4.03Å; C45-V61 HydrophobicContact CB-CG2 3.66Å; C45-N74 PolarHBondContact SG-O 3.46Å; C45-N74 VanDerWaalsContact SG-O 3.37Å
46Q98.3Very high97.5Very high2 Ų216.4 Ų16.41%0.00911%0.105CC..Hα-helixtrans-71-40.1179.1-165.7172.16.800112.6L28 A42 A43 Y44 M48 D49 M50 L58 F63 Y124 P126 R130L28-Q46 HydrophobicContact CD1-CB 4.36Å; L28-Q46 HydrophobicContact CD2-CB 4.27Å; L28-Q46 HydrophobicContact CD2-CG 3.9Å; A42-Q46 PolarHBondContact O-N 2.88Å; A43-Q46 PolarHBondContact O-N 3.44Å; A43-Q46 VanDerWaalsContact O-N 3.13Å; Y44-Q46 VanDerWaalsContact C-N 3.28Å; Y44-Q46 PolarHBondContact O-N 3.03Å; Q46-M48 VanDerWaalsContact C-N 3.29Å; Q46-M48 PolarHBondContact O-N 3.45Å; Q46-D49 PolarHBondContact O-N 2.82Å; Q46-M50 PolarHBondContact O-N 2.98Å; Q46-L58 HydrophobicContact CB-CD1 4.28Å; Q46-L58 HydrophobicContact CG-CD1 4.46Å; Q46-F63 HydrophobicContact CB-CE1 4.15Å; Q46-F63 HydrophobicContact CG-CE1 4.46Å; Q46-Y124 HydrophobicContact CG-CE1 4.25Å; Q46-Y124 VanDerWaalsContact CG-OH 3.23Å; Q46-Y124 WeakPolarHBondContact CG-OH 3.27Å; Q46-P126 VanDerWaalsContact NE2-CA 3.29Å; Q46-P126 VanDerWaalsContact NE2-CB 3.32Å; Q46-P126 PolarHBondContact NE2-O 3.49Å; Q46-R130 VanDerWaalsContact NE2-NH1 3.15Å
47F98.6Very high97.5Very high1 Ų117 Ų170%0.00411%0.112CC..Hα-helixtrans-61.6-37.4171.6-81.1-57.4000112.5W23 I24 L28 A43 Y44 D49 M50 L51 F111 F115W23-F47 HydrophobicContact CH2-CE1 4.23Å; W23-F47 HydrophobicContact CH2-CE2 4.03Å; W23-F47 AromaticContact CH2-CZ 3.8Å; W23-F47 HydrophobicContact CH2-CZ 3.8Å; W23-F47 HydrophobicContact CZ2-CD1 4.49Å; W23-F47 AromaticContact CZ2-CE1 3.78Å; W23-F47 HydrophobicContact CZ2-CE1 3.78Å; W23-F47 HydrophobicContact CZ2-CE2 4.39Å; W23-F47 AromaticContact CZ2-CZ 3.71Å; W23-F47 HydrophobicContact CZ2-CZ 3.71Å; W23-F47 HydrophobicContact CZ3-CE2 4.43Å; W23-F47 HydrophobicContact CZ3-CZ 4.31Å; I24-F47 HydrophobicContact CB-CZ 4.43Å; I24-F47 HydrophobicContact CG1-CE2 4.11Å; I24-F47 HydrophobicContact CG1-CZ 4.17Å; I24-F47 HydrophobicContact CG2-CE2 4.12Å; I24-F47 HydrophobicContact CG2-CZ 4.3Å; L28-F47 HydrophobicContact CD1-CD1 4.48Å; L28-F47 HydrophobicContact CD1-CD2 3.87Å; L28-F47 HydrophobicContact CD1-CE1 4.26Å; L28-F47 HydrophobicContact CD1-CE2 3.61Å; L28-F47 HydrophobicContact CD1-CG 4.31Å; L28-F47 HydrophobicContact CD1-CZ 3.83Å; L28-F47 HydrophobicContact CD2-CD1 3.96Å; L28-F47 HydrophobicContact CD2-CE1 3.91Å; L28-F47 HydrophobicContact CD2-CG 4.38Å; L28-F47 HydrophobicContact CD2-CZ 4.28Å; L28-F47 HydrophobicContact CG-CD1 4.33Å; L28-F47 HydrophobicContact CG-CE1 3.89Å; L28-F47 HydrophobicContact CG-CE2 4.1Å; L28-F47 HydrophobicContact CG-CZ 3.76Å; A43-F47 VanDerWaalsContact O-CD2 3.3Å; A43-F47 WeakPolarHBondContact O-CD2 3.5Å; A43-F47 PolarHBondContact O-N 3.13Å; Y44-F47 PolarHBondContact O-N 3.41Å; F47-D49 VanDerWaalsContact C-N 3.32Å; F47-D49 PolarHBondContact O-N 3.43Å; F47-M50 HydrophobicContact CD1-CE 4.46Å; F47-M50 HydrophobicContact CD1-SD 4.08Å; F47-M50 HydrophobicContact CE1-SD 4.42Å; F47-M50 WeakPolarHBondContact O-CB 3.46Å; F47-M50 PolarHBondContact O-N 3.42Å; F47-L51 WeakPolarHBondContact O-CG 3.39Å; F47-L51 PolarHBondContact O-N 3.21Å; F47-F111 HydrophobicContact CB-CE1 3.51Å; F47-F111 HydrophobicContact CB-CZ 3.62Å; F47-F111 HydrophobicContact CD2-CD1 4.48Å; F47-F111 AromaticContact CD2-CE1 3.75Å; F47-F111 HydrophobicContact CD2-CE1 3.75Å; F47-F111 HydrophobicContact CD2-CZ 4.48Å; F47-F111 AromaticContact CG-CE1 3.8Å; F47-F111 HydrophobicContact CG-CE1 3.8Å; F47-F111 HydrophobicContact CG-CZ 4.38Å; F47-F115 HydrophobicContact CB-CD2 4.47Å; F47-F115 AromaticContact CD1-CD2 3.84Å; F47-F115 HydrophobicContact CD1-CD2 3.84Å; F47-F115 AromaticContact CD1-CE2 3.58Å; F47-F115 HydrophobicContact CD1-CE2 3.58Å; F47-F115 HydrophobicContact CD1-CZ 4.42Å; F47-F115 HydrophobicContact CE1-CD2 4.41Å; F47-F115 HydrophobicContact CE1-CE2 4.11Å; F47-F115 HydrophobicContact CG-CD2 4.4Å; F47-F115 HydrophobicContact CG-CE2 4.49Å
48M98.4Very high97.5Very high0 Ų015.5 Ų15.50%011%0.105CC..Hα-helixtrans-64.4-37.7175.2-78.9-63.3-66.200112.4Y44 C45 Q46 F52 C55 V56 L78 F82 M85 F114Y44-M48 WeakPolarHBondContact O-CG 3.21Å; Y44-M48 PolarHBondContact O-N 2.86Å; C45-M48 PolarHBondContact O-N 3.23Å; Q46-M48 VanDerWaalsContact C-N 3.29Å; Q46-M48 PolarHBondContact O-N 3.45Å; M48-F52 HydrophobicContact CE-CD2 3.94Å; M48-F52 HydrophobicContact CE-CE2 4.37Å; M48-F52 CarbonylContact O-C 3.53Å; M48-F52 WeakPolarHBondContact O-CA 3.44Å; M48-F52 PolarHBondContact O-N 2.67Å; M48-F52 HydrophobicContact SD-CD2 4.37Å; M48-C55 PolarHBondContact O-SG 3.47Å; M48-V56 HydrophobicContact CB-CG2 3.75Å; M48-L78 HydrophobicContact CB-CD1 4.42Å; M48-L78 HydrophobicContact CG-CD1 3.48Å; M48-L78 VanDerWaalsContact CG-CD1 3.48Å; M48-F82 HydrophobicContact CE-CD1 3.81Å; M48-F82 HydrophobicContact CE-CE1 4.15Å; M48-F82 HydrophobicContact CG-CD1 4.4Å; M48-F82 HydrophobicContact CG-CE1 4.04Å; M48-F82 HydrophobicContact SD-CD1 3.91Å; M48-F82 HydrophobicContact SD-CE1 3.59Å; M48-F82 VanDerWaalsContact SD-CE1 3.59Å; M48-M85 HydrophobicContact CE-CB 4.49Å; M48-M85 HydrophobicContact CE-CG 4.08Å; M48-F114 HydrophobicContact SD-CE1 3.93Å; M48-F114 HydrophobicContact SD-CZ 4.44Å
49D97.8Very high97.3Very high26 Ų2623.2 Ų23.214%0.13914%0.138CC..Hα-helixtrans-66.6-39.1172.9-169.462.1000111.9C45 Q46 F47 F52 P53 G54 L58C45-D49 PolarHBondContact O-N 2.99Å; C45-D49 VanDerWaalsContact O-N 3.17Å; Q46-D49 PolarHBondContact O-N 2.82Å; F47-D49 VanDerWaalsContact C-N 3.32Å; F47-D49 PolarHBondContact O-N 3.43Å; D49-F52 CarbonylContact O-C 3.35Å; D49-P53 VanDerWaalsContact O-CA 3.26Å; D49-P53 WeakPolarHBondContact O-CA 3.3Å; D49-P53 WeakPolarHBondContact O-CD 3.38Å; D49-P53 VanDerWaalsContact O-N 3.12Å; D49-G54 PolarHBondContact OD1-N 3.31Å; D49-L58 HydrophobicContact CB-CD1 4.15Å; D49-L58 HydrophobicContact CB-CD2 4.39Å
50M97.5Very high97.2Very high6 Ų629.4 Ų29.43%0.0316%0.163CC..Hα-helixtrans-61.8-46.5173.9-179.4-168.8-76.800112.3S27 L28 Q46 F47 F115 Y119 K122 Y124S27-M50 WeakPolarHBondContact O-CE 3.36Å; L28-M50 HydrophobicContact CD2-CE 3.71Å; Q46-M50 PolarHBondContact O-N 2.98Å; F47-M50 HydrophobicContact CD1-CE 4.46Å; F47-M50 HydrophobicContact CD1-SD 4.08Å; F47-M50 HydrophobicContact CE1-SD 4.42Å; F47-M50 WeakPolarHBondContact O-CB 3.46Å; F47-M50 PolarHBondContact O-N 3.42Å; M50-F115 HydrophobicContact CG-CE2 4.41Å; M50-F115 HydrophobicContact SD-CE2 3.56Å; M50-F115 VanDerWaalsContact SD-CE2 3.56Å; M50-F115 HydrophobicContact SD-CZ 3.53Å; M50-F115 VanDerWaalsContact SD-CZ 3.53Å; M50-Y119 HydrophobicContact CG-CE2 4.09Å; M50-Y119 HydrophobicContact SD-CE2 4.17Å; M50-K122 WeakPolarHBondContact O-CD 3.36Å; M50-Y124 HydrophobicContact CB-CD1 4.03Å; M50-Y124 HydrophobicContact CB-CD2 4.04Å; M50-Y124 HydrophobicContact CB-CE1 4Å; M50-Y124 HydrophobicContact CB-CE2 4.09Å; M50-Y124 HydrophobicContact CB-CG 4Å; M50-Y124 HydrophobicContact CE-CD1 3.22Å; M50-Y124 HydrophobicContact CE-CE1 3.68Å; M50-Y124 HydrophobicContact CE-CG 3.98Å; M50-Y124 HydrophobicContact CG-CD1 3.9Å; M50-Y124 HydrophobicContact CG-CD2 4.17Å; M50-Y124 HydrophobicContact CG-CE1 4.38Å; M50-Y124 HydrophobicContact CG-CG 3.74Å; M50-Y124 HydrophobicContact SD-CD1 4.38Å
51L97.7Very high97.2Very high3 Ų329.2 Ų29.22%0.01616%0.162CC..Hα-helixtrans-67.5-49.5177.5-70.4173.1000111F47 F114 F115 N118 Y119 K122F47-L51 WeakPolarHBondContact O-CG 3.39Å; F47-L51 PolarHBondContact O-N 3.21Å; L51-F114 HydrophobicContact CD1-CD1 4.17Å; L51-F114 HydrophobicContact CD1-CE1 3.72Å; L51-F115 HydrophobicContact CD1-CD2 3.8Å; L51-F115 HydrophobicContact CD1-CE2 4.44Å; L51-F115 HydrophobicContact CD1-CG 4.5Å; L51-F115 HydrophobicContact CD2-CD2 3.58Å; L51-F115 HydrophobicContact CD2-CE2 3.65Å; L51-F115 HydrophobicContact CD2-CG 4.12Å; L51-F115 HydrophobicContact CD2-CZ 4.27Å; L51-F115 HydrophobicContact CG-CD2 3.67Å; L51-F115 HydrophobicContact CG-CE2 3.82Å; L51-N118 HydrophobicContact CD1-CB 4.45Å; L51-N118 HydrophobicContact CD2-CB 4Å; L51-Y119 HydrophobicContact CD2-CD2 4.11Å; L51-Y119 HydrophobicContact CD2-CG 4.47Å; L51-K122 PolarHBondContact O-NZ 2.94Å
52F97.1Very high97.1Very high31 Ų3132.6 Ų32.614%0.13618%0.177CC..SBendtrans-132.886-171.5-48-67.3000110.7A2 M48 D49 G54 C55 M85 F114 N118A2-F52 HydrophobicContact CB-CE1 4.41Å; A2-F52 HydrophobicContact CB-CE2 3.86Å; A2-F52 HydrophobicContact CB-CZ 3.52Å; M48-F52 HydrophobicContact CE-CD2 3.94Å; M48-F52 HydrophobicContact CE-CE2 4.37Å; M48-F52 CarbonylContact O-C 3.53Å; M48-F52 WeakPolarHBondContact O-CA 3.44Å; M48-F52 PolarHBondContact O-N 2.67Å; M48-F52 HydrophobicContact SD-CD2 4.37Å; D49-F52 CarbonylContact O-C 3.35Å; F52-G54 PolarHBondContact O-N 3.33Å; F52-C55 HydrophobicContact CB-CB 3.86Å; F52-C55 WeakPolarHBondContact O-CB 3.31Å; F52-C55 PolarHBondContact O-N 3.24Å; F52-C55 PolarHBondContact O-SG 3.12Å; F52-M85 HydrophobicContact CB-CE 3.93Å; F52-M85 HydrophobicContact CB-CG 4.22Å; F52-M85 HydrophobicContact CB-SD 3.87Å; F52-M85 HydrophobicContact CD1-CE 3.32Å; F52-M85 HydrophobicContact CD1-SD 4.39Å; F52-M85 HydrophobicContact CD2-CB 4.49Å; F52-M85 HydrophobicContact CD2-CE 3.97Å; F52-M85 HydrophobicContact CD2-CG 3.82Å; F52-M85 HydrophobicContact CD2-SD 4.37Å; F52-M85 HydrophobicContact CE1-CE 3.7Å; F52-M85 HydrophobicContact CE2-CE 4.3Å; F52-M85 HydrophobicContact CE2-CG 4.37Å; F52-M85 HydrophobicContact CG-CE 3.45Å; F52-M85 VanDerWaalsContact CG-CE 3.45Å; F52-M85 HydrophobicContact CG-CG 4.04Å; F52-M85 HydrophobicContact CG-SD 3.96Å; F52-M85 HydrophobicContact CZ-CE 4.17Å; F52-F114 HydrophobicContact CE2-CE1 4.46Å; F52-F114 HydrophobicContact CE2-CZ 4.02Å; F52-N118 HydrophobicContact CE1-CB 4.49Å; F52-N118 HydrophobicContact CZ-CB 3.81Å; F52-N118 WeakPolarHBondContact CZ-OD1 3.13Å
53P95.8Very high97Very high91 Ų9132.7 Ų32.759%0.59118%0.176SC*.THydrogen-bonded Turntrans-51.8130-177.3-30.536.1000112.8D49 C55D49-P53 VanDerWaalsContact O-CA 3.26Å; D49-P53 WeakPolarHBondContact O-CA 3.3Å; D49-P53 WeakPolarHBondContact O-CD 3.38Å; D49-P53 VanDerWaalsContact O-N 3.12Å; P53-C55 VanDerWaalsContact C-N 3.27Å; P53-C55 PolarHBondContact O-N 3.42Å
54G93.6Very high96.7Very high50 Ų5034.8 Ų34.852%0.51519%0.193SC..THydrogen-bonded Turntrans77.81.5179.900000115.2D49 F52 V56 R84D49-G54 PolarHBondContact OD1-N 3.31Å; F52-G54 PolarHBondContact O-N 3.33Å; G54-V56 VanDerWaalsContact C-N 3.26Å; G54-V56 PolarHBondContact O-N 3.47Å; G54-R84 PolarHBondContact O-NH1 2.88Å
55C96.6Very high96.5Very high4 Ų434.8 Ų34.83%0.02719%0.194CC..SBendtrans-69.8-27.617379.50000112.4M48 F52 P53 R84 M85M48-C55 PolarHBondContact O-SG 3.47Å; F52-C55 HydrophobicContact CB-CB 3.86Å; F52-C55 WeakPolarHBondContact O-CB 3.31Å; F52-C55 PolarHBondContact O-N 3.24Å; F52-C55 PolarHBondContact O-SG 3.12Å; P53-C55 VanDerWaalsContact C-N 3.27Å; P53-C55 PolarHBondContact O-N 3.42Å; C55-R84 PolarHBondContact O-NH1 3.15Å; C55-R84 VanDerWaalsContact O-NH1 3.08Å; C55-M85 HydrophobicContact CB-CG 3.92Å; C55-M85 HydrophobicContact CB-SD 3.95Å
56V97.4Very high96.2Very high4 Ų441.3 Ų41.32%0.02422%0.222CC..SBendtrans-119.8131.8-179.8163.40000109.7C45 M48 G54 L58 V61 I77C45-V56 HydrophobicContact CB-CG1 4.04Å; M48-V56 HydrophobicContact CB-CG2 3.75Å; G54-V56 VanDerWaalsContact C-N 3.26Å; G54-V56 PolarHBondContact O-N 3.47Å; V56-L58 VanDerWaalsContact C-N 3.28Å; V56-L58 HydrophobicContact CG1-CD1 4.45Å; V56-L58 PolarHBondContact O-N 2.91Å; V56-V61 HydrophobicContact CG1-CG2 4.16Å; V56-I77 HydrophobicContact CB-CG2 4.49Å; V56-I77 HydrophobicContact CG1-CG2 3.49Å; V56-I77 VanDerWaalsContact CG1-CG2 3.49Å
57P96.6Very high96Very high54 Ų5446 Ų4635%0.35125%0.247SC..  trans-73.278.8172.631.4-37.8000111.2K59 K60 I77P57-K59 PolarHBondContact O-N 2.79Å; P57-K59 VanDerWaalsContact O-N 3.11Å; P57-K60 HydrophobicContact CB-CD 4.21Å; P57-K60 HydrophobicContact CB-CG 4.34Å; P57-K60 HydrophobicContact CG-CD 4.36Å; P57-K60 WeakPolarHBondContact O-CB 3.18Å; P57-K60 PolarHBondContact O-N 3.31Å; P57-I77 HydrophobicContact CG-CG2 4.03Å
58L95.4Very high95.8Very high18 Ų1849.9 Ų49.99%0.09427%0.265CS..G310 helixtrans-55.6-33.9-171.6-155.368.6000113.8Q46 D49 V56 K60 V61 F63 A129Q46-L58 HydrophobicContact CB-CD1 4.28Å; Q46-L58 HydrophobicContact CG-CD1 4.46Å; D49-L58 HydrophobicContact CB-CD1 4.15Å; D49-L58 HydrophobicContact CB-CD2 4.39Å; V56-L58 VanDerWaalsContact C-N 3.28Å; V56-L58 HydrophobicContact CG1-CD1 4.45Å; V56-L58 PolarHBondContact O-N 2.91Å; L58-K60 PolarHBondContact O-N 2.93Å; L58-K60 VanDerWaalsContact O-N 3.1Å; L58-V61 HydrophobicContact CD1-CG2 4.23Å; L58-V61 VanDerWaalsContact O-CB 3.31Å; L58-V61 WeakPolarHBondContact O-CB 3.36Å; L58-V61 PolarHBondContact O-N 3.08Å; L58-F63 HydrophobicContact CD1-CE2 4.48Å; L58-F63 HydrophobicContact CD1-CZ 3.77Å; L58-F63 HydrophobicContact CD2-CZ 4.37Å; L58-F63 HydrophobicContact CG-CE2 4.2Å; L58-F63 HydrophobicContact CG-CZ 3.86Å; L58-A129 HydrophobicContact CD2-CB 3.76Å; L58-A129 WeakPolarHBondContact CD2-O 3.15Å
59K94.6Very high95.7Very high163 Ų16355.5 Ų55.571%0.70929%0.291SS*.G310 helixtrans-59-21.8174.4-65.5-176.1178.9-1800114.7P57P57-K59 PolarHBondContact O-N 2.79Å; P57-K59 VanDerWaalsContact O-N 3.11Å
60K96.4Very high95.7Very high143 Ų14356 Ų5662%0.62229%0.292SS*.G310 helixtrans-93.9-8.3178.5-63.6-174.1178.1-178.90112.7P57 L58 H73 I77P57-K60 HydrophobicContact CB-CD 4.21Å; P57-K60 HydrophobicContact CB-CG 4.34Å; P57-K60 HydrophobicContact CG-CD 4.36Å; P57-K60 WeakPolarHBondContact O-CB 3.18Å; P57-K60 PolarHBondContact O-N 3.31Å; L58-K60 PolarHBondContact O-N 2.93Å; L58-K60 VanDerWaalsContact O-N 3.1Å; K60-H73 PolarHBondContact O-NE2 2.9Å; K60-I77 HydrophobicContact CB-CD1 3.84Å; K60-I77 WeakPolarHBondContact O-CD1 3.28Å
61V97.8Very high95.8Very high3 Ų356.7 Ų56.72%0.01830%0.295CS..  trans-74135.6179.1178.30000108.8A42 C45 V56 L58 F63 I77A42-V61 HydrophobicContact CB-CG1 3.94Å; C45-V61 HydrophobicContact CB-CG1 4.03Å; C45-V61 HydrophobicContact CB-CG2 3.66Å; V56-V61 HydrophobicContact CG1-CG2 4.16Å; L58-V61 HydrophobicContact CD1-CG2 4.23Å; L58-V61 VanDerWaalsContact O-CB 3.31Å; L58-V61 WeakPolarHBondContact O-CB 3.36Å; L58-V61 PolarHBondContact O-N 3.08Å; V61-F63 HydrophobicContact CB-CD2 4.39Å; V61-F63 HydrophobicContact CB-CE2 3.92Å; V61-F63 HydrophobicContact CB-CZ 4.22Å; V61-F63 HydrophobicContact CG1-CD1 4.49Å; V61-F63 HydrophobicContact CG1-CD2 4.27Å; V61-F63 HydrophobicContact CG1-CE1 4.26Å; V61-F63 HydrophobicContact CG1-CE2 4.03Å; V61-F63 HydrophobicContact CG1-CZ 4.02Å; V61-F63 PolarHBondContact O-N 2.76Å; V61-I77 HydrophobicContact CG2-CD1 4.21Å; V61-I77 HydrophobicContact CG2-CG2 4.11Å
62K96.6Very high95.8Very high72 Ų7259.3 Ų59.331%0.31331%0.309SS..  trans-92.593.5176.8-64.4-179.5167-157.30109.3A65 E70 N74K62-A65 HydrophobicContact CB-CB 3.99Å; K62-A65 WeakPolarHBondContact O-CB 3.47Å; K62-A65 PolarHBondContact O-N 2.79Å; K62-E70 HydrophobicContact CD-CB 3.73Å; K62-E70 HydrophobicContact CD-CG 4.04Å; K62-E70 IonicContact NZ-OE1 2.89Å; K62-E70 PolarHBondContact NZ-OE1 3.37Å; K62-N74 PolarHBondContact N-OD1 3.37Å; K62-N74 PolarHBondContact O-ND2 3Å
63F95.6Very high95.9Very high6 Ų661.2 Ų61.23%0.02632%0.318CS..THydrogen-bonded Turntrans-71.5-26.8-177.8-74.4-79.7000114.4A42 Q46 L58 V61 R130 Q133 T135 M136A42-F63 HydrophobicContact CB-CD1 4.05Å; A42-F63 HydrophobicContact CB-CE1 4.49Å; Q46-F63 HydrophobicContact CB-CE1 4.15Å; Q46-F63 HydrophobicContact CG-CE1 4.46Å; L58-F63 HydrophobicContact CD1-CE2 4.48Å; L58-F63 HydrophobicContact CD1-CZ 3.77Å; L58-F63 HydrophobicContact CD2-CZ 4.37Å; L58-F63 HydrophobicContact CG-CE2 4.2Å; L58-F63 HydrophobicContact CG-CZ 3.86Å; V61-F63 HydrophobicContact CB-CD2 4.39Å; V61-F63 HydrophobicContact CB-CE2 3.92Å; V61-F63 HydrophobicContact CB-CZ 4.22Å; V61-F63 HydrophobicContact CG1-CD1 4.49Å; V61-F63 HydrophobicContact CG1-CD2 4.27Å; V61-F63 HydrophobicContact CG1-CE1 4.26Å; V61-F63 HydrophobicContact CG1-CE2 4.03Å; V61-F63 HydrophobicContact CG1-CZ 4.02Å; V61-F63 PolarHBondContact O-N 2.76Å; F63-R130 HydrophobicContact CD1-CG 3.99Å; F63-R130 HydrophobicContact CD2-CG 4.29Å; F63-R130 HydrophobicContact CE1-CG 3.67Å; F63-R130 HydrophobicContact CE2-CG 3.99Å; F63-R130 HydrophobicContact CG-CG 4.29Å; F63-R130 HydrophobicContact CZ-CG 3.66Å; F63-Q133 HydrophobicContact CB-CB 4.3Å; F63-Q133 HydrophobicContact CD2-CB 4.25Å; F63-T135 HydrophobicContact CB-CG2 4.34Å; F63-T135 HydrophobicContact CD1-CG2 4.08Å; F63-M136 PolarHBondContact O-N 3.05Å
64A92.7Very high96Very high52 Ų5256.9 Ų56.943%0.4329%0.29SS..THydrogen-bonded Turntrans-10328.2175.400000112.8
65A93.7Very high96.2Very high2 Ų254.6 Ų54.62%0.01727%0.265CS..  trans-58.7139.7179.800000111.5K62 E70 F71K62-A65 HydrophobicContact CB-CB 3.99Å; K62-A65 WeakPolarHBondContact O-CB 3.47Å; K62-A65 PolarHBondContact O-N 2.79Å; A65-E70 HydrophobicContact CB-CB 3.72Å; A65-F71 HydrophobicContact CB-CD1 3.74Å; A65-F71 HydrophobicContact CB-CE1 3.74Å
66K92.3Very high96.3Very high137 Ų13760.9 Ų60.960%0.59629%0.293SS*.  trans-130-18.4179.4-64.2-179.2-175.2179.30113.9E70K66-E70 PolarHBondContact N-OE2 3.37Å
67L93.9Very high96.4Very high100 Ų10061.5 Ų61.552%0.52430%0.295SS..SBendtrans-111.7146.5-175-56.7173.7000110.5H69 E70 F71L67-H69 VanDerWaalsContact CD1-CE1 3.49Å; L67-H69 WeakPolarHBondContact CD1-CE1 3.45Å; L67-H69 PolarHBondContact O-N 3.12Å; L67-H69 VanDerWaalsContact O-N 3.13Å; L67-E70 HydrophobicContact CB-CG 4.15Å; L67-E70 PolarHBondContact N-OE2 3.18Å; L67-E70 WeakPolarHBondContact O-CA 3.45Å; L67-E70 VanDerWaalsContact O-CB 3.23Å; L67-E70 WeakPolarHBondContact O-CB 3.47Å; L67-E70 PolarHBondContact O-N 2.98Å; L67-F71 PolarHBondContact O-N 3.21Å
68E95.2Very high96.5Very high83 Ų8358.9 Ų58.939%0.38828%0.279SS..Hα-helixtrans-54.7-38-176.2-67.6-168.716700113.3E70 F71 I72 K98E68-E70 PolarHBondContact O-N 3.24Å; E68-F71 WeakPolarHBondContact O-CB 3.42Å; E68-F71 PolarHBondContact O-N 3.44Å; E68-F71 VanDerWaalsContact O-N 3.09Å; E68-I72 WeakPolarHBondContact O-CG1 3.39Å; E68-I72 PolarHBondContact O-N 2.89Å; E68-K98 VanDerWaalsContact OE1-CD 3.32Å; E68-K98 WeakPolarHBondContact OE1-CD 3.4Å; E68-K98 IonicContact OE1-NZ 2.87Å; E68-K98 PolarHBondContact OE1-NZ 3.28Å; E68-K98 IonicContact OE2-NZ 2.77Å; E68-K98 PolarHBondContact OE2-NZ 3.45Å
69H96.2Very high96.6Very high117 Ų11762.1 Ų62.154%0.54229%0.293SS..Hα-helixtrans-64.9-24.7178.672.5-96.5000112.8L67 H73L67-H69 VanDerWaalsContact CD1-CE1 3.49Å; L67-H69 WeakPolarHBondContact CD1-CE1 3.45Å; L67-H69 PolarHBondContact O-N 3.12Å; L67-H69 VanDerWaalsContact O-N 3.13Å; H69-H73 PolarHBondContact O-N 2.64Å
70E97.4Very high96.8Very high36 Ų3656.8 Ų56.817%0.16828%0.28CS..Hα-helixtrans-78.2-36.2173.5-52.3-167.7103.600111.6K62 A65 K66 L67 E68 H73 N74K62-E70 HydrophobicContact CD-CB 3.73Å; K62-E70 HydrophobicContact CD-CG 4.04Å; K62-E70 IonicContact NZ-OE1 2.89Å; K62-E70 PolarHBondContact NZ-OE1 3.37Å; A65-E70 HydrophobicContact CB-CB 3.72Å; K66-E70 PolarHBondContact N-OE2 3.37Å; L67-E70 HydrophobicContact CB-CG 4.15Å; L67-E70 PolarHBondContact N-OE2 3.18Å; L67-E70 WeakPolarHBondContact O-CA 3.45Å; L67-E70 VanDerWaalsContact O-CB 3.23Å; L67-E70 WeakPolarHBondContact O-CB 3.47Å; L67-E70 PolarHBondContact O-N 2.98Å; E68-E70 PolarHBondContact O-N 3.24Å; E70-H73 WeakPolarHBondContact O-CB 3.45Å; E70-H73 PolarHBondContact O-N 2.64Å; E70-N74 PolarHBondContact O-N 3.14Å
71F98.4Very high96.9Very high22 Ų2250 Ų5010%0.09625%0.25CS..Hα-helixtrans-63.7-45.3173.2-53.1-17.8000110.3C39 S40 A65 L67 E68 H73 N74 Y75 I97C39-F71 WeakPolarHBondContact O-CB 3.47Å; S40-F71 VanDerWaalsContact CA-CD1 3.46Å; A65-F71 HydrophobicContact CB-CD1 3.74Å; A65-F71 HydrophobicContact CB-CE1 3.74Å; L67-F71 PolarHBondContact O-N 3.21Å; E68-F71 WeakPolarHBondContact O-CB 3.42Å; E68-F71 PolarHBondContact O-N 3.44Å; E68-F71 VanDerWaalsContact O-N 3.09Å; F71-H73 VanDerWaalsContact C-N 3.26Å; F71-H73 PolarHBondContact O-N 2.91Å; F71-N74 PolarHBondContact O-N 2.79Å; F71-N74 VanDerWaalsContact O-N 3.13Å; F71-Y75 VanDerWaalsContact O-CD2 3.3Å; F71-Y75 WeakPolarHBondContact O-CD2 3.33Å; F71-Y75 PolarHBondContact O-N 3.34Å; F71-I97 HydrophobicContact CB-CB 4.23Å; F71-I97 HydrophobicContact CB-CG2 3.78Å; F71-I97 HydrophobicContact CD2-CB 4.41Å
72I98.3Very high96.9Very high58 Ų5850.1 Ų50.130%0.29725%0.25SS..Hα-helixtrans-56.7-41.9174.1-67.9167000110.7E68 Y75 K76 I97E68-I72 WeakPolarHBondContact O-CG1 3.39Å; E68-I72 PolarHBondContact O-N 2.89Å; I72-Y75 PolarHBondContact O-N 3.12Å; I72-K76 WeakPolarHBondContact O-CG 3.37Å; I72-K76 PolarHBondContact O-N 3.01Å; I72-I97 HydrophobicContact CD1-CD1 3.77Å; I72-I97 HydrophobicContact CG1-CD1 3.6Å; I72-I97 HydrophobicContact CG1-CG2 4.28Å
73H98.7Very high97Very high71 Ų7155.4 Ų55.433%0.32927%0.273SS..Hα-helixtrans-59.7-47.6175.717089000112K60 H69 E70 F71 Y75 K76 I77K60-H73 PolarHBondContact O-NE2 2.9Å; H69-H73 PolarHBondContact O-N 2.64Å; E70-H73 WeakPolarHBondContact O-CB 3.45Å; E70-H73 PolarHBondContact O-N 2.64Å; F71-H73 VanDerWaalsContact C-N 3.26Å; F71-H73 PolarHBondContact O-N 2.91Å; H73-Y75 PolarHBondContact O-N 2.86Å; H73-K76 PolarHBondContact O-N 3.23Å; H73-I77 WeakPolarHBondContact NE2-CD1 3.41Å; H73-I77 PolarHBondContact O-N 2.98Å
74N98.6Very high97.1Very high0 Ų062.2 Ų62.20%030%0.299CS..Hα-helixtrans-62.3-42.5175.8-71.6-15.6000111.9S40 C45 K62 E70 F71 K76 I77 L78S40-N74 VanDerWaalsContact O-CB 3.28Å; S40-N74 WeakPolarHBondContact O-CB 3.47Å; S40-N74 PolarHBondContact O-ND2 3.42Å; C45-N74 PolarHBondContact SG-O 3.46Å; C45-N74 VanDerWaalsContact SG-O 3.37Å; K62-N74 PolarHBondContact N-OD1 3.37Å; K62-N74 PolarHBondContact O-ND2 3Å; E70-N74 PolarHBondContact O-N 3.14Å; F71-N74 PolarHBondContact O-N 2.79Å; F71-N74 VanDerWaalsContact O-N 3.13Å; N74-K76 VanDerWaalsContact C-N 3.34Å; N74-K76 PolarHBondContact O-N 2.92Å; N74-I77 WeakPolarHBondContact O-CB 3.42Å; N74-I77 PolarHBondContact O-N 3.27Å; N74-I77 VanDerWaalsContact O-N 3.1Å; N74-L78 PolarHBondContact O-N 3.35Å
75Y98.7Very high97.3Very high1 Ų161 Ų610%0.00429%0.285CS..Hα-helixtrans-65-33.6177.3-84.4-67.2000113.5L38 C39 Y44 F71 I72 H73 I77 L78 Q79 I91 V93 L96 I97L38-Y75 PolarHBondContact O-OH 3.3Å; C39-Y75 VanDerWaalsContact O-CE2 3.26Å; C39-Y75 WeakPolarHBondContact O-CE2 3.38Å; Y44-Y75 HydrophobicContact CD2-CE1 4.26Å; F71-Y75 VanDerWaalsContact O-CD2 3.3Å; F71-Y75 WeakPolarHBondContact O-CD2 3.33Å; F71-Y75 PolarHBondContact O-N 3.34Å; I72-Y75 PolarHBondContact O-N 3.12Å; H73-Y75 PolarHBondContact O-N 2.86Å; Y75-I77 VanDerWaalsContact C-N 3.3Å; Y75-I77 PolarHBondContact O-N 3.22Å; Y75-L78 HydrophobicContact CD1-CD2 3.92Å; Y75-L78 HydrophobicContact CE1-CD2 4.02Å; Y75-L78 WeakPolarHBondContact O-CB 3.37Å; Y75-L78 PolarHBondContact O-N 3.22Å; Y75-Q79 WeakPolarHBondContact O-CB 3.23Å; Y75-Q79 VanDerWaalsContact O-CG 3.29Å; Y75-Q79 WeakPolarHBondContact O-CG 3.49Å; Y75-Q79 PolarHBondContact O-N 3.12Å; Y75-I91 HydrophobicContact CD1-CG2 3.78Å; Y75-I91 HydrophobicContact CE1-CG2 3.85Å; Y75-V93 HydrophobicContact CD1-CG2 4.21Å; Y75-V93 HydrophobicContact CD2-CG1 4.02Å; Y75-V93 HydrophobicContact CG-CG1 3.97Å; Y75-V93 HydrophobicContact CG-CG2 4.07Å; Y75-L96 HydrophobicContact CE1-CD1 3.74Å; Y75-L96 HydrophobicContact CE2-CB 4.14Å; Y75-L96 WeakPolarHBondContact OH-CB 3.48Å; Y75-I97 HydrophobicContact CD2-CG2 3.57Å; Y75-I97 HydrophobicContact CE2-CG2 3.71Å
76K98.6Very high97.5Very high137 Ų13762.1 Ų62.160%0.59630%0.296SS*.Hα-helixtrans-63.2-38.1171.6-76.1-179.3177.7-178.10112I72 H73 N74 A80I72-K76 WeakPolarHBondContact O-CG 3.37Å; I72-K76 PolarHBondContact O-N 3.01Å; H73-K76 PolarHBondContact O-N 3.23Å; N74-K76 VanDerWaalsContact C-N 3.34Å; N74-K76 PolarHBondContact O-N 2.92Å; K76-A80 PolarHBondContact O-N 3.24Å; K76-A80 VanDerWaalsContact O-N 3.13Å
77I98.6Very high97.7Very high16 Ų1656.2 Ų56.28%0.08227%0.272CS..Hα-helixtrans-63.7-46.1174-69.7173.1000110.2V56 P57 K60 V61 H73 N74 Y75 A80 G81V56-I77 HydrophobicContact CB-CG2 4.49Å; V56-I77 HydrophobicContact CG1-CG2 3.49Å; V56-I77 VanDerWaalsContact CG1-CG2 3.49Å; P57-I77 HydrophobicContact CG-CG2 4.03Å; K60-I77 HydrophobicContact CB-CD1 3.84Å; K60-I77 WeakPolarHBondContact O-CD1 3.28Å; V61-I77 HydrophobicContact CG2-CD1 4.21Å; V61-I77 HydrophobicContact CG2-CG2 4.11Å; H73-I77 WeakPolarHBondContact NE2-CD1 3.41Å; H73-I77 PolarHBondContact O-N 2.98Å; N74-I77 WeakPolarHBondContact O-CB 3.42Å; N74-I77 PolarHBondContact O-N 3.27Å; N74-I77 VanDerWaalsContact O-N 3.1Å; Y75-I77 VanDerWaalsContact C-N 3.3Å; Y75-I77 PolarHBondContact O-N 3.22Å; I77-A80 PolarHBondContact O-N 2.94Å; I77-G81 PolarHBondContact O-N 3.34Å
78L98.6Very high97.8Very high0 Ų055.4 Ų55.40%027%0.268CS..Hα-helixtrans-60.3-47177.7-17760.6000112.4Y44 M48 N74 Y75 A80 G81 F82 I91Y44-L78 HydrophobicContact CD2-CD2 4.35Å; Y44-L78 HydrophobicContact CG-CD2 4.2Å; M48-L78 HydrophobicContact CB-CD1 4.42Å; M48-L78 HydrophobicContact CG-CD1 3.48Å; M48-L78 VanDerWaalsContact CG-CD1 3.48Å; N74-L78 PolarHBondContact O-N 3.35Å; Y75-L78 HydrophobicContact CD1-CD2 3.92Å; Y75-L78 HydrophobicContact CE1-CD2 4.02Å; Y75-L78 WeakPolarHBondContact O-CB 3.37Å; Y75-L78 PolarHBondContact O-N 3.22Å; L78-A80 VanDerWaalsContact C-N 3.29Å; L78-A80 PolarHBondContact O-N 3.4Å; L78-G81 WeakPolarHBondContact O-CA 3.5Å; L78-G81 PolarHBondContact O-N 3.3Å; L78-F82 HydrophobicContact CD1-CD1 4.03Å; L78-F82 HydrophobicContact CD1-CE1 3.67Å; L78-F82 HydrophobicContact CD1-CZ 4.48Å; L78-F82 HydrophobicContact CG-CD1 4.32Å; L78-F82 HydrophobicContact CG-CE1 4.1Å; L78-F82 PolarHBondContact O-N 3.23Å; L78-I91 HydrophobicContact CB-CD1 4.42Å; L78-I91 HydrophobicContact CD2-CD1 3.72Å; L78-I91 HydrophobicContact CG-CD1 3.71Å
79Q98.6Very high97.8Very high85 Ų8554.5 Ų54.540%0.39726%0.263SS..Hα-helixtrans-58.4-39.8176.5-75175.1-32.900112.1Y75 G81 F82 K83 I91Y75-Q79 WeakPolarHBondContact O-CB 3.23Å; Y75-Q79 VanDerWaalsContact O-CG 3.29Å; Y75-Q79 WeakPolarHBondContact O-CG 3.49Å; Y75-Q79 PolarHBondContact O-N 3.12Å; Q79-G81 VanDerWaalsContact C-N 3.33Å; Q79-F82 PolarHBondContact O-N 3.07Å; Q79-K83 WeakPolarHBondContact O-CB 3.26Å; Q79-K83 PolarHBondContact O-N 3.36Å; Q79-I91 HydrophobicContact CG-CD1 3.92Å
80A98.3Very high97.9Very high52 Ų5256 Ų5643%0.4327%0.273SS..Hα-helixtrans-65.1-3817500000112.1K76 I77 L78 R84K76-A80 PolarHBondContact O-N 3.24Å; K76-A80 VanDerWaalsContact O-N 3.13Å; I77-A80 PolarHBondContact O-N 2.94Å; L78-A80 VanDerWaalsContact C-N 3.29Å; L78-A80 PolarHBondContact O-N 3.4Å; A80-R84 WeakPolarHBondContact O-CB 3.37Å; A80-R84 PolarHBondContact O-N 3.18Å
81G98.3Very high97.9Very high0 Ų054.8 Ų54.80%027%0.268CS..Hα-helixtrans-62-47.2171.900000112.3I77 L78 Q79 K83 R84 M85I77-G81 PolarHBondContact O-N 3.34Å; L78-G81 WeakPolarHBondContact O-CA 3.5Å; L78-G81 PolarHBondContact O-N 3.3Å; Q79-G81 VanDerWaalsContact C-N 3.33Å; G81-K83 PolarHBondContact O-N 2.62Å; G81-R84 PolarHBondContact O-N 3.42Å; G81-M85 WeakPolarHBondContact O-CG 3.33Å; G81-M85 PolarHBondContact O-N 2.99Å
82F98.3Very high97.8Very high6 Ų656 Ų563%0.02628%0.278CS..Hα-helixtrans-57.7-49.4176.2-86.230000111.3M48 L78 Q79 R84 M85 G86 V87 K89 I91 W110 F111M48-F82 HydrophobicContact CE-CD1 3.81Å; M48-F82 HydrophobicContact CE-CE1 4.15Å; M48-F82 HydrophobicContact CG-CD1 4.4Å; M48-F82 HydrophobicContact CG-CE1 4.04Å; M48-F82 HydrophobicContact SD-CD1 3.91Å; M48-F82 HydrophobicContact SD-CE1 3.59Å; M48-F82 VanDerWaalsContact SD-CE1 3.59Å; L78-F82 HydrophobicContact CD1-CD1 4.03Å; L78-F82 HydrophobicContact CD1-CE1 3.67Å; L78-F82 HydrophobicContact CD1-CZ 4.48Å; L78-F82 HydrophobicContact CG-CD1 4.32Å; L78-F82 HydrophobicContact CG-CE1 4.1Å; L78-F82 PolarHBondContact O-N 3.23Å; Q79-F82 PolarHBondContact O-N 3.07Å; F82-R84 VanDerWaalsContact C-N 3.31Å; F82-R84 PolarHBondContact O-N 3.26Å; F82-M85 CarbonylContact O-C 3.57Å; F82-M85 PolarHBondContact O-N 3.4Å; F82-M85 VanDerWaalsContact O-N 3.16Å; F82-G86 PolarHBondContact O-N 2.99Å; F82-V87 HydrophobicContact CB-CB 3.87Å; F82-V87 HydrophobicContact CB-CG1 4.48Å; F82-V87 HydrophobicContact CB-CG2 4.49Å; F82-V87 HydrophobicContact CD1-CB 4.36Å; F82-V87 HydrophobicContact CD1-CG1 4.48Å; F82-V87 HydrophobicContact CD1-CG2 4.4Å; F82-V87 HydrophobicContact CD2-CB 3.86Å; F82-V87 HydrophobicContact CD2-CG1 3.51Å; F82-V87 HydrophobicContact CE2-CB 4.49Å; F82-V87 HydrophobicContact CE2-CG1 3.72Å; F82-V87 HydrophobicContact CG-CB 3.78Å; F82-V87 HydrophobicContact CG-CG1 3.93Å; F82-V87 HydrophobicContact CG-CG2 4.29Å; F82-V87 HydrophobicContact CZ-CG1 4.29Å; F82-V87 PolarHBondContact O-N 2.93Å; F82-K89 HydrophobicContact CE2-CB 4.36Å; F82-I91 HydrophobicContact CD2-CD1 3.72Å; F82-I91 HydrophobicContact CD2-CG1 3.9Å; F82-I91 HydrophobicContact CE2-CD1 3.67Å; F82-I91 HydrophobicContact CE2-CG1 3.73Å; F82-I91 HydrophobicContact CG-CD1 4.22Å; F82-I91 HydrophobicContact CZ-CD1 4.13Å; F82-W110 AromaticContact CE2-CH2 3.77Å; F82-W110 HydrophobicContact CE2-CH2 3.77Å; F82-W110 HydrophobicContact CE2-CZ3 4.01Å; F82-W110 AromaticContact CZ-CH2 3.87Å; F82-W110 HydrophobicContact CZ-CH2 3.87Å; F82-W110 AromaticContact CZ-CZ3 3.93Å; F82-W110 HydrophobicContact CZ-CZ3 3.93Å; F82-F111 HydrophobicContact CE1-CE2 4.3Å; F82-F111 HydrophobicContact CZ-CD2 4.42Å; F82-F111 HydrophobicContact CZ-CE2 4.2Å
83K97.8Very high97.8Very high183 Ų18354.1 Ų54.180%0.79627%0.269SS*.Hα-helixtrans-59.1-41177.4-175.3176-179.3177.10112.3Q79 G81 M85 G86Q79-K83 WeakPolarHBondContact O-CB 3.26Å; Q79-K83 PolarHBondContact O-N 3.36Å; G81-K83 PolarHBondContact O-N 2.62Å; K83-M85 VanDerWaalsContact C-N 3.33Å; K83-G86 PolarHBondContact O-N 2.84Å
84R97.7Very high97.7Very high148 Ų14857 Ų5756%0.55829%0.287SS*.Hα-helixtrans-64.9-38178.2-175.2179.6-61.61707112.1G54 C55 A80 G81 F82G54-R84 PolarHBondContact O-NH1 2.88Å; C55-R84 PolarHBondContact O-NH1 3.15Å; C55-R84 VanDerWaalsContact O-NH1 3.08Å; A80-R84 WeakPolarHBondContact O-CB 3.37Å; A80-R84 PolarHBondContact O-N 3.18Å; G81-R84 PolarHBondContact O-N 3.42Å; F82-R84 VanDerWaalsContact C-N 3.31Å; F82-R84 PolarHBondContact O-N 3.26Å
85M97.9Very high97.7Very high28 Ų2862.6 Ų62.614%0.13831%0.311CS..Hα-helixtrans-87.9-5.4-178.5-63.5-52-55.700113.8M1 A2 M48 F52 C55 G81 F82 K83 V87M1-M85 CarbonylContact C-O 3.57Å; M1-M85 WeakPolarHBondContact CA-O 3.34Å; A2-M85 HydrophobicContact CB-CB 4.12Å; A2-M85 PolarHBondContact N-O 3.48Å; M48-M85 HydrophobicContact CE-CB 4.49Å; M48-M85 HydrophobicContact CE-CG 4.08Å; F52-M85 HydrophobicContact CB-CE 3.93Å; F52-M85 HydrophobicContact CB-CG 4.22Å; F52-M85 HydrophobicContact CB-SD 3.87Å; F52-M85 HydrophobicContact CD1-CE 3.32Å; F52-M85 HydrophobicContact CD1-SD 4.39Å; F52-M85 HydrophobicContact CD2-CB 4.49Å; F52-M85 HydrophobicContact CD2-CE 3.97Å; F52-M85 HydrophobicContact CD2-CG 3.82Å; F52-M85 HydrophobicContact CD2-SD 4.37Å; F52-M85 HydrophobicContact CE1-CE 3.7Å; F52-M85 HydrophobicContact CE2-CE 4.3Å; F52-M85 HydrophobicContact CE2-CG 4.37Å; F52-M85 HydrophobicContact CG-CE 3.45Å; F52-M85 VanDerWaalsContact CG-CE 3.45Å; F52-M85 HydrophobicContact CG-CG 4.04Å; F52-M85 HydrophobicContact CG-SD 3.96Å; F52-M85 HydrophobicContact CZ-CE 4.17Å; C55-M85 HydrophobicContact CB-CG 3.92Å; C55-M85 HydrophobicContact CB-SD 3.95Å; G81-M85 WeakPolarHBondContact O-CG 3.33Å; G81-M85 PolarHBondContact O-N 2.99Å; F82-M85 CarbonylContact O-C 3.57Å; F82-M85 PolarHBondContact O-N 3.4Å; F82-M85 VanDerWaalsContact O-N 3.16Å; K83-M85 VanDerWaalsContact C-N 3.33Å; M85-V87 HydrophobicContact CB-CG2 4.18Å
86G97Very high97.7Very high25 Ų2562.6 Ų62.626%0.25831%0.311SS..THydrogen-bonded Turntrans74.429.9-17800000113.8N4 F82 K83N4-G86 PolarHBondContact ND2-O 3.1Å; N4-G86 VanDerWaalsContact ND2-O 3.1Å; F82-G86 PolarHBondContact O-N 2.99Å; K83-G86 PolarHBondContact O-N 2.84Å
87V97.8Very high97.7Very high13 Ų1356.4 Ų56.48%0.07929%0.285CS..  trans-78.4123174.5-176.20000108.8A2 N4 F82 M85 K89 W110 F114A2-V87 HydrophobicContact CB-CG2 3.77Å; N4-V87 VanDerWaalsContact OD1-CA 3.27Å; N4-V87 WeakPolarHBondContact OD1-CA 3.45Å; F82-V87 HydrophobicContact CB-CB 3.87Å; F82-V87 HydrophobicContact CB-CG1 4.48Å; F82-V87 HydrophobicContact CB-CG2 4.49Å; F82-V87 HydrophobicContact CD1-CB 4.36Å; F82-V87 HydrophobicContact CD1-CG1 4.48Å; F82-V87 HydrophobicContact CD1-CG2 4.4Å; F82-V87 HydrophobicContact CD2-CB 3.86Å; F82-V87 HydrophobicContact CD2-CG1 3.51Å; F82-V87 HydrophobicContact CE2-CB 4.49Å; F82-V87 HydrophobicContact CE2-CG1 3.72Å; F82-V87 HydrophobicContact CG-CB 3.78Å; F82-V87 HydrophobicContact CG-CG1 3.93Å; F82-V87 HydrophobicContact CG-CG2 4.29Å; F82-V87 HydrophobicContact CZ-CG1 4.29Å; F82-V87 PolarHBondContact O-N 2.93Å; M85-V87 HydrophobicContact CB-CG2 4.18Å; V87-K89 HydrophobicContact CG1-CB 4.09Å; V87-W110 HydrophobicContact CG1-CH2 4.13Å; V87-W110 HydrophobicContact CG1-CZ2 4.41Å; V87-F114 HydrophobicContact CG1-CE2 4.18Å; V87-F114 HydrophobicContact CG1-CZ 4.46Å; V87-F114 HydrophobicContact CG2-CE2 3.77Å; V87-F114 HydrophobicContact CG2-CZ 3.6Å
88D94.7Very high97.6Very high83 Ų8360.9 Ų60.944%0.44430%0.304SS..  trans-92.7-10.5-174.866.8-6000113.9N4 Y6 I90N4-D88 PolarHBondContact OD1-N 3.42Å; N4-D88 VanDerWaalsContact OD1-N 3.12Å; N4-D88 PolarHBondContact OD1-OD1 3.01Å; N4-D88 VanDerWaalsContact OD1-OD1 3.1Å; Y6-D88 WeakPolarHBondContact CE1-OD2 3.42Å; Y6-D88 PolarHBondContact OH-OD2 3.4Å; D88-I90 PolarHBondContact O-N 3.16Å
89K96.5Very high97.4Very high64 Ų6462 Ų6228%0.27831%0.314SS..PPolyproline II helixtrans-59.3121.4175.4-175.777.4168.6-1490111.3F82 V87 I91 W110F82-K89 HydrophobicContact CE2-CB 4.36Å; V87-K89 HydrophobicContact CG1-CB 4.09Å; K89-I91 PolarHBondContact O-N 3.35Å; K89-W110 HydrophobicContact CB-CH2 3.42Å; K89-W110 VanDerWaalsContact CB-CH2 3.42Å; K89-W110 HydrophobicContact CB-CZ2 3.23Å; K89-W110 HydrophobicContact CB-CZ3 4.15Å; K89-W110 HydrophobicContact CD-CD2 3.78Å; K89-W110 HydrophobicContact CD-CE3 4.28Å; K89-W110 HydrophobicContact CD-CG 4.21Å; K89-W110 HydrophobicContact CD-CH2 4.39Å; K89-W110 HydrophobicContact CD-CZ2 3.89Å; K89-W110 HydrophobicContact CG-CD2 3.85Å; K89-W110 HydrophobicContact CG-CE3 3.89Å; K89-W110 HydrophobicContact CG-CH2 3.51Å; K89-W110 HydrophobicContact CG-CZ2 3.43Å; K89-W110 VanDerWaalsContact CG-CZ2 3.43Å; K89-W110 HydrophobicContact CG-CZ3 3.72Å
90I96.3Very high97.3Very high148 Ų14864.1 Ų64.176%0.75932%0.322SS*.PPolyproline II helixtrans-74.3125.4170.3-58.7174.8000109.1D88 P92D88-I90 PolarHBondContact O-N 3.16Å; I90-P92 WeakPolarHBondContact O-CD 3.38Å
91I97.9Very high97.2Very high10 Ų1064.3 Ų64.35%0.05131%0.314CS..PPolyproline II helixtrans-86.2117.7176.2-49.3-176.9000108.7Y75 L78 Q79 F82 K89 V93 L96 Y107Y75-I91 HydrophobicContact CD1-CG2 3.78Å; Y75-I91 HydrophobicContact CE1-CG2 3.85Å; L78-I91 HydrophobicContact CB-CD1 4.42Å; L78-I91 HydrophobicContact CD2-CD1 3.72Å; L78-I91 HydrophobicContact CG-CD1 3.71Å; Q79-I91 HydrophobicContact CG-CD1 3.92Å; F82-I91 HydrophobicContact CD2-CD1 3.72Å; F82-I91 HydrophobicContact CD2-CG1 3.9Å; F82-I91 HydrophobicContact CE2-CD1 3.67Å; F82-I91 HydrophobicContact CE2-CG1 3.73Å; F82-I91 HydrophobicContact CG-CD1 4.22Å; F82-I91 HydrophobicContact CZ-CD1 4.13Å; K89-I91 PolarHBondContact O-N 3.35Å; I91-V93 HydrophobicContact CB-CG2 4.22Å; I91-V93 HydrophobicContact CG2-CG2 3.93Å; I91-V93 PolarHBondContact O-N 3.21Å; I91-L96 HydrophobicContact CG2-CD1 3.76Å; I91-Y107 HydrophobicContact CB-CE2 4.36Å; I91-Y107 HydrophobicContact CG1-CE2 4.3Å; I91-Y107 WeakPolarHBondContact CG1-OH 3.4Å; I91-Y107 HydrophobicContact CG2-CE2 3.95Å
92P97.6Very high97.1Very high49 Ų4971.4 Ų71.432%0.31835%0.347SS..  trans-78.664.5179.732.8-34.7000111.4I90 D94 K95 L96 Y107I90-P92 WeakPolarHBondContact O-CD 3.38Å; P92-D94 VanDerWaalsContact C-N 3.31Å; P92-D94 PolarHBondContact O-N 3.04Å; P92-K95 HydrophobicContact CB-CB 4.42Å; P92-K95 HydrophobicContact CB-CD 4.36Å; P92-K95 HydrophobicContact CB-CG 4.43Å; P92-K95 PolarHBondContact O-N 2.86Å; P92-L96 HydrophobicContact CG-CD1 4.22Å; P92-L96 HydrophobicContact CG-CG 4.14Å; P92-L96 WeakPolarHBondContact O-CG 3.49Å; P92-L96 PolarHBondContact O-N 2.91Å; P92-L96 VanDerWaalsContact O-N 3.08Å; P92-Y107 HydrophobicContact CG-CD2 4.44Å
93V98.2Very high97.1Very high18 Ų1872.5 Ų72.511%0.10935%0.353CS..Hα-helixtrans-51.1-47.8-171.2-179.90000112.1Y75 I91 K95 L96 I97Y75-V93 HydrophobicContact CD1-CG2 4.21Å; Y75-V93 HydrophobicContact CD2-CG1 4.02Å; Y75-V93 HydrophobicContact CG-CG1 3.97Å; Y75-V93 HydrophobicContact CG-CG2 4.07Å; I91-V93 HydrophobicContact CB-CG2 4.22Å; I91-V93 HydrophobicContact CG2-CG2 3.93Å; I91-V93 PolarHBondContact O-N 3.21Å; V93-K95 PolarHBondContact O-N 3.47Å; V93-K95 VanDerWaalsContact O-N 3.12Å; V93-L96 PolarHBondContact O-N 2.94Å; V93-L96 VanDerWaalsContact O-N 3.16Å; V93-I97 HydrophobicContact CG1-CG2 3.86Å; V93-I97 WeakPolarHBondContact O-CG1 3.42Å; V93-I97 WeakPolarHBondContact O-CG2 3.09Å; V93-I97 PolarHBondContact O-N 3.37Å
94D96.8Very high97.1Very high131 Ų13163.8 Ų63.870%0.70132%0.315SS*.Hα-helixtrans-60.1-26.1-177.3-61.6-38000113.7P92 K98P92-D94 VanDerWaalsContact C-N 3.31Å; P92-D94 PolarHBondContact O-N 3.04Å; D94-K98 VanDerWaalsContact O-CG 3.28Å; D94-K98 WeakPolarHBondContact O-CG 3.44Å
95K97.9Very high97.1Very high118 Ų11858.8 Ų58.851%0.51330%0.297SS..Hα-helixtrans-86.2-45.5176.1-57.6-169.3-178.1-176.60111.3P92 V93 I97 K98 D103P92-K95 HydrophobicContact CB-CB 4.42Å; P92-K95 HydrophobicContact CB-CD 4.36Å; P92-K95 HydrophobicContact CB-CG 4.43Å; P92-K95 PolarHBondContact O-N 2.86Å; V93-K95 PolarHBondContact O-N 3.47Å; V93-K95 VanDerWaalsContact O-N 3.12Å; K95-I97 PolarHBondContact O-N 2.88Å; K95-K98 WeakPolarHBondContact O-CB 3.48Å; K95-K98 PolarHBondContact O-N 3.05Å; K95-D103 HydrophobicContact CB-CB 4.04Å; K95-D103 WeakPolarHBondContact CD-OD1 3.37Å
96L98.3Very high97Very high0 Ų063.8 Ų63.80%032%0.32CS..Hα-helixtrans-63.1-45.4-175.9-64.7176.4000112.3C39 Y75 I91 P92 V93 K98 G99 D103 N104 Y107C39-L96 WeakPolarHBondContact CB-O 3.5Å; Y75-L96 HydrophobicContact CE1-CD1 3.74Å; Y75-L96 HydrophobicContact CE2-CB 4.14Å; Y75-L96 WeakPolarHBondContact OH-CB 3.48Å; I91-L96 HydrophobicContact CG2-CD1 3.76Å; P92-L96 HydrophobicContact CG-CD1 4.22Å; P92-L96 HydrophobicContact CG-CG 4.14Å; P92-L96 WeakPolarHBondContact O-CG 3.49Å; P92-L96 PolarHBondContact O-N 2.91Å; P92-L96 VanDerWaalsContact O-N 3.08Å; V93-L96 PolarHBondContact O-N 2.94Å; V93-L96 VanDerWaalsContact O-N 3.16Å; L96-K98 PolarHBondContact O-N 3.07Å; L96-K98 VanDerWaalsContact O-N 3.07Å; L96-G99 PolarHBondContact O-N 3.36Å; L96-D103 HydrophobicContact CD2-CB 4.43Å; L96-D103 WeakPolarHBondContact CD2-O 3.49Å; L96-N104 HydrophobicContact CD2-CB 4.46Å; L96-N104 PolarHBondContact O-ND2 3.4Å; L96-N104 VanDerWaalsContact O-ND2 3.16Å; L96-Y107 HydrophobicContact CD1-CD1 3.9Å; L96-Y107 HydrophobicContact CD1-CD2 4.05Å; L96-Y107 HydrophobicContact CD1-CE1 4.21Å; L96-Y107 HydrophobicContact CD1-CE2 4.36Å; L96-Y107 HydrophobicContact CD1-CG 3.81Å; L96-Y107 HydrophobicContact CD2-CD1 4.48Å; L96-Y107 HydrophobicContact CD2-CG 4.1Å
97I98Very high97Very high8 Ų862.9 Ų62.94%0.04131%0.309CS..THydrogen-bonded Turntrans-63.9-16.4-177.566.9179.1000113.4F71 I72 Y75 V93 K95 G99F71-I97 HydrophobicContact CB-CB 4.23Å; F71-I97 HydrophobicContact CB-CG2 3.78Å; F71-I97 HydrophobicContact CD2-CB 4.41Å; I72-I97 HydrophobicContact CD1-CD1 3.77Å; I72-I97 HydrophobicContact CG1-CD1 3.6Å; I72-I97 HydrophobicContact CG1-CG2 4.28Å; Y75-I97 HydrophobicContact CD2-CG2 3.57Å; Y75-I97 HydrophobicContact CE2-CG2 3.71Å; V93-I97 HydrophobicContact CG1-CG2 3.86Å; V93-I97 WeakPolarHBondContact O-CG1 3.42Å; V93-I97 WeakPolarHBondContact O-CG2 3.09Å; V93-I97 PolarHBondContact O-N 3.37Å; K95-I97 PolarHBondContact O-N 2.88Å; I97-G99 PolarHBondContact O-N 3.26Å
98K97Very high97.1Very high110 Ų11062.3 Ų62.348%0.47831%0.306SS..THydrogen-bonded Turntrans-77.1-4.7175.4-59-59.1177.2-171.40113.1E68 D94 K95 L96 K100E68-K98 VanDerWaalsContact OE1-CD 3.32Å; E68-K98 WeakPolarHBondContact OE1-CD 3.4Å; E68-K98 IonicContact OE1-NZ 2.87Å; E68-K98 PolarHBondContact OE1-NZ 3.28Å; E68-K98 IonicContact OE2-NZ 2.77Å; E68-K98 PolarHBondContact OE2-NZ 3.45Å; D94-K98 VanDerWaalsContact O-CG 3.28Å; D94-K98 WeakPolarHBondContact O-CG 3.44Å; K95-K98 WeakPolarHBondContact O-CB 3.48Å; K95-K98 PolarHBondContact O-N 3.05Å; L96-K98 PolarHBondContact O-N 3.07Å; L96-K98 VanDerWaalsContact O-N 3.07Å; K98-K100 HydrophobicContact CB-CG 4.29Å; K98-K100 PolarHBondContact O-N 3.13Å
99G95.5Very high97.1Very high22 Ų2259.3 Ų59.323%0.22729%0.289CS..THydrogen-bonded Turntrans63.328.9177.400000113.1E36 L96 I97E36-G99 WeakPolarHBondContact CB-O 3.29Å; E36-G99 WeakPolarHBondContact CG-O 3.35Å; L96-G99 PolarHBondContact O-N 3.36Å; I97-G99 PolarHBondContact O-N 3.26Å
100K95.8Very high97.1Very high130 Ų13056.6 Ų56.657%0.56528%0.277SS*.  trans-77.7132.2174.3-68-172.6177-174.30110K98 Q102 D103 N104K98-K100 HydrophobicContact CB-CG 4.29Å; K98-K100 PolarHBondContact O-N 3.13Å; K100-Q102 PolarHBondContact O-N 2.86Å; K100-D103 WeakPolarHBondContact CB-OD2 3.45Å; K100-N104 WeakPolarHBondContact O-CB 3.44Å; K100-N104 PolarHBondContact O-N 3.22Å; K100-N104 VanDerWaalsContact O-N 3.15Å; K100-N104 PolarHBondContact O-ND2 3.32Å
101F96.7Very high97.2Very high56 Ų5649.5 Ų49.525%0.24624%0.241CC..Hα-helixtrans-55.4-54.3-178.6177.4-98.7000112.3R17 I35 E36 D103 N104 F105R17-F101 HydrophobicContact CG-CE2 4.28Å; I35-F101 HydrophobicContact CB-CD2 4.04Å; I35-F101 HydrophobicContact CB-CE2 3.92Å; I35-F101 HydrophobicContact CG1-CE2 3.98Å; I35-F101 HydrophobicContact CG2-CD2 4.42Å; I35-F101 HydrophobicContact CG2-CE2 4.4Å; E36-F101 HydrophobicContact CG-CB 4.08Å; F101-D103 PolarHBondContact O-N 3.1Å; F101-N104 PolarHBondContact O-N 3.47Å; F101-F105 HydrophobicContact CE1-CB 4.17Å; F101-F105 HydrophobicContact CE1-CD1 4.21Å; F101-F105 HydrophobicContact CE1-CG 4.24Å; F101-F105 HydrophobicContact CE2-CB 4.38Å; F101-F105 HydrophobicContact CE2-CG 4.4Å; F101-F105 HydrophobicContact CZ-CB 4.08Å; F101-F105 HydrophobicContact CZ-CD1 4.07Å; F101-F105 HydrophobicContact CZ-CD2 4.25Å; F101-F105 AromaticContact CZ-CG 3.88Å; F101-F105 HydrophobicContact CZ-CG 3.88Å; F101-F105 VanDerWaalsContact O-CB 3.23Å; F101-F105 WeakPolarHBondContact O-CB 3.47Å; F101-F105 PolarHBondContact O-N 3.5Å
102Q96.2Very high97.2Very high150 Ų15050.3 Ų50.370%0.70124%0.244SC*.Hα-helixtrans-57.2-50.7-174.5-176176.4-16.700112.6K100 N104 F105 E106K100-Q102 PolarHBondContact O-N 2.86Å; Q102-N104 PolarHBondContact O-N 3.26Å; Q102-F105 PolarHBondContact O-N 3.34Å; Q102-E106 WeakPolarHBondContact O-CB 3.3Å; Q102-E106 PolarHBondContact O-N 3.13Å
103D97.1Very high97.1Very high28 Ų2849.6 Ų49.615%0.1524%0.236CC..Hα-helixtrans-63.4-42-179.9-62.3-63.9000111.9K95 L96 K100 F101 Y107K95-D103 HydrophobicContact CB-CB 4.04Å; K95-D103 WeakPolarHBondContact CD-OD1 3.37Å; L96-D103 HydrophobicContact CD2-CB 4.43Å; L96-D103 WeakPolarHBondContact CD2-O 3.49Å; K100-D103 WeakPolarHBondContact CB-OD2 3.45Å; F101-D103 PolarHBondContact O-N 3.1Å; D103-Y107 WeakPolarHBondContact O-CB 3.42Å; D103-Y107 PolarHBondContact O-N 3.06Å; D103-Y107 VanDerWaalsContact O-N 3.16Å
104N98.2Very high97Very high0 Ų048.8 Ų48.80%023%0.231CC..Hα-helixtrans-69.9-37.4178.6-79.2-87.5000111.8I35 C39 L96 K100 F101 Q102 Y107 V108I35-N104 HydrophobicContact CG2-CB 3.92Å; C39-N104 PolarHBondContact N-OD1 2.94Å; L96-N104 HydrophobicContact CD2-CB 4.46Å; L96-N104 PolarHBondContact O-ND2 3.4Å; L96-N104 VanDerWaalsContact O-ND2 3.16Å; K100-N104 WeakPolarHBondContact O-CB 3.44Å; K100-N104 PolarHBondContact O-N 3.22Å; K100-N104 VanDerWaalsContact O-N 3.15Å; K100-N104 PolarHBondContact O-ND2 3.32Å; F101-N104 PolarHBondContact O-N 3.47Å; Q102-N104 PolarHBondContact O-N 3.26Å; N104-Y107 PolarHBondContact O-N 2.95Å; N104-V108 WeakPolarHBondContact O-CB 3.43Å; N104-V108 WeakPolarHBondContact O-CG1 3.35Å; N104-V108 PolarHBondContact O-N 3.33Å
105F97.4Very high97Very high43 Ų4342.9 Ų42.919%0.18920%0.199CC..Hα-helixtrans-71.2-42.7-179.7-164.7-123.6000111.5R17 M20 I35 F101 Q102 Y107 V108 Q109R17-F105 HydrophobicContact CB-CE2 4.32Å; R17-F105 HydrophobicContact CB-CZ 4.44Å; M20-F105 HydrophobicContact CB-CE2 4.38Å; I35-F105 HydrophobicContact CD1-CD2 4.14Å; I35-F105 HydrophobicContact CD1-CE2 4.43Å; I35-F105 HydrophobicContact CG1-CD2 4.01Å; I35-F105 HydrophobicContact CG1-CE2 4.49Å; I35-F105 HydrophobicContact CG2-CB 4.03Å; I35-F105 HydrophobicContact CG2-CD2 4.09Å; F101-F105 HydrophobicContact CE1-CB 4.17Å; F101-F105 HydrophobicContact CE1-CD1 4.21Å; F101-F105 HydrophobicContact CE1-CG 4.24Å; F101-F105 HydrophobicContact CE2-CB 4.38Å; F101-F105 HydrophobicContact CE2-CG 4.4Å; F101-F105 HydrophobicContact CZ-CB 4.08Å; F101-F105 HydrophobicContact CZ-CD1 4.07Å; F101-F105 HydrophobicContact CZ-CD2 4.25Å; F101-F105 AromaticContact CZ-CG 3.88Å; F101-F105 HydrophobicContact CZ-CG 3.88Å; F101-F105 VanDerWaalsContact O-CB 3.23Å; F101-F105 WeakPolarHBondContact O-CB 3.47Å; F101-F105 PolarHBondContact O-N 3.5Å; Q102-F105 PolarHBondContact O-N 3.34Å; F105-Y107 VanDerWaalsContact C-N 3.32Å; F105-Y107 PolarHBondContact O-N 2.87Å; F105-V108 HydrophobicContact CD2-CG1 4.03Å; F105-V108 WeakPolarHBondContact O-CG1 3.49Å; F105-V108 PolarHBondContact O-N 2.92Å; F105-Q109 HydrophobicContact CZ-CG 4.49Å; F105-Q109 WeakPolarHBondContact O-CG 3.26Å; F105-Q109 PolarHBondContact O-N 3.29Å; F105-Q109 VanDerWaalsContact O-N 3.07Å
106E96.1Very high96.9Very high133 Ų13341.3 Ų41.362%0.62120%0.196SC*.Hα-helixtrans-58.6-45.4172.9-173.5-171.8165.300111.4Q102 W110Q102-E106 WeakPolarHBondContact O-CB 3.3Å; Q102-E106 PolarHBondContact O-N 3.13Å; E106-W110 PolarHBondContact O-N 3.19Å
107Y97.9Very high96.8Very high6 Ų643.5 Ų43.52%0.02422%0.215CC..Hα-helixtrans-67.6-42.6-178.7-174.6-96.9000112.7Y44 I91 P92 L96 D103 N104 F105 Q109 W110 F111Y44-Y107 HydrophobicContact CD1-CE1 4.21Å; Y44-Y107 HydrophobicContact CD2-CE1 4.09Å; Y44-Y107 HydrophobicContact CE1-CD1 4.07Å; Y44-Y107 AromaticContact CE1-CE1 3.94Å; Y44-Y107 HydrophobicContact CE1-CE1 3.94Å; Y44-Y107 AromaticContact CE2-CD1 3.89Å; Y44-Y107 HydrophobicContact CE2-CD1 3.89Å; Y44-Y107 AromaticContact CE2-CE1 3.83Å; Y44-Y107 HydrophobicContact CE2-CE1 3.83Å; Y44-Y107 HydrophobicContact CG-CE1 4.29Å; Y44-Y107 AromaticContact CZ-CD1 3.59Å; Y44-Y107 AromaticContact CZ-CE1 3.76Å; I91-Y107 HydrophobicContact CB-CE2 4.36Å; I91-Y107 HydrophobicContact CG1-CE2 4.3Å; I91-Y107 WeakPolarHBondContact CG1-OH 3.4Å; I91-Y107 HydrophobicContact CG2-CE2 3.95Å; P92-Y107 HydrophobicContact CG-CD2 4.44Å; L96-Y107 HydrophobicContact CD1-CD1 3.9Å; L96-Y107 HydrophobicContact CD1-CD2 4.05Å; L96-Y107 HydrophobicContact CD1-CE1 4.21Å; L96-Y107 HydrophobicContact CD1-CE2 4.36Å; L96-Y107 HydrophobicContact CD1-CG 3.81Å; L96-Y107 HydrophobicContact CD2-CD1 4.48Å; L96-Y107 HydrophobicContact CD2-CG 4.1Å; D103-Y107 WeakPolarHBondContact O-CB 3.42Å; D103-Y107 PolarHBondContact O-N 3.06Å; D103-Y107 VanDerWaalsContact O-N 3.16Å; N104-Y107 PolarHBondContact O-N 2.95Å; F105-Y107 VanDerWaalsContact C-N 3.32Å; F105-Y107 PolarHBondContact O-N 2.87Å; Y107-Q109 VanDerWaalsContact C-N 3.34Å; Y107-Q109 PolarHBondContact O-N 3.21Å; Y107-W110 HydrophobicContact CD2-CE3 4.44Å; Y107-W110 HydrophobicContact CE2-CE3 4.06Å; Y107-W110 HydrophobicContact CE2-CZ3 4.12Å; Y107-W110 PolarHBondContact O-N 3.26Å; Y107-F111 HydrophobicContact CE1-CD2 4.27Å; Y107-F111 WeakPolarHBondContact O-CB 3.44Å; Y107-F111 PolarHBondContact O-N 3.37Å
108V98.1Very high96.8Very high1 Ų144.1 Ų44.11%0.00622%0.218CC..Hα-helixtrans-68.6-32.5179.875.40000112.3M20 W23 I24 I35 L38 Y44 N104 F105 F111 K112M20-V108 HydrophobicContact CE-CG1 4.09Å; M20-V108 HydrophobicContact CE-CG2 4.49Å; M20-V108 HydrophobicContact CG-CG1 3.79Å; M20-V108 HydrophobicContact CG-CG2 3.99Å; M20-V108 HydrophobicContact SD-CB 4.48Å; M20-V108 HydrophobicContact SD-CG1 4.1Å; M20-V108 HydrophobicContact SD-CG2 3.69Å; W23-V108 HydrophobicContact CZ3-CG2 4.43Å; I24-V108 HydrophobicContact CD1-CG2 3.81Å; I35-V108 HydrophobicContact CD1-CG1 4.45Å; I35-V108 HydrophobicContact CG2-CG1 4.43Å; L38-V108 HydrophobicContact CD1-CB 3.91Å; L38-V108 HydrophobicContact CD1-CG1 4.32Å; L38-V108 HydrophobicContact CD1-CG2 3.63Å; Y44-V108 HydrophobicContact CE1-CG2 4.22Å; Y44-V108 WeakPolarHBondContact OH-CB 3.38Å; N104-V108 WeakPolarHBondContact O-CB 3.43Å; N104-V108 WeakPolarHBondContact O-CG1 3.35Å; N104-V108 PolarHBondContact O-N 3.33Å; F105-V108 HydrophobicContact CD2-CG1 4.03Å; F105-V108 WeakPolarHBondContact O-CG1 3.49Å; F105-V108 PolarHBondContact O-N 2.92Å; V108-F111 PolarHBondContact O-N 3.44Å; V108-K112 WeakPolarHBondContact O-CB 3.34Å; V108-K112 PolarHBondContact O-N 3.5Å
109Q95.9Very high96.8Very high20 Ų2043.2 Ų43.29%0.09321%0.212CC..Hα-helixtrans-59.6-48172.4-71.3-74.912.400111.3L15 M20 F105 Y107 F111 K112 K113L15-Q109 PolarHBondContact O-NE2 3.25Å; M20-Q109 HydrophobicContact CE-CG 4.2Å; F105-Q109 HydrophobicContact CZ-CG 4.49Å; F105-Q109 WeakPolarHBondContact O-CG 3.26Å; F105-Q109 PolarHBondContact O-N 3.29Å; F105-Q109 VanDerWaalsContact O-N 3.07Å; Y107-Q109 VanDerWaalsContact C-N 3.34Å; Y107-Q109 PolarHBondContact O-N 3.21Å; Q109-F111 VanDerWaalsContact C-N 3.34Å; Q109-F111 PolarHBondContact O-N 2.82Å; Q109-K112 PolarHBondContact O-N 3.19Å; Q109-K113 PolarHBondContact O-N 3.27Å
110W96.7Very high96.8Very high7 Ų747.4 Ų47.43%0.02723%0.229CC..Hα-helixtrans-61.8-44.1173.6170.781.1000111.5V5 F82 V87 K89 E106 Y107 K112 K113 F114V5-W110 PolarHBondContact O-NE1 3.22Å; F82-W110 AromaticContact CE2-CH2 3.77Å; F82-W110 HydrophobicContact CE2-CH2 3.77Å; F82-W110 HydrophobicContact CE2-CZ3 4.01Å; F82-W110 AromaticContact CZ-CH2 3.87Å; F82-W110 HydrophobicContact CZ-CH2 3.87Å; F82-W110 AromaticContact CZ-CZ3 3.93Å; F82-W110 HydrophobicContact CZ-CZ3 3.93Å; V87-W110 HydrophobicContact CG1-CH2 4.13Å; V87-W110 HydrophobicContact CG1-CZ2 4.41Å; K89-W110 HydrophobicContact CB-CH2 3.42Å; K89-W110 VanDerWaalsContact CB-CH2 3.42Å; K89-W110 HydrophobicContact CB-CZ2 3.23Å; K89-W110 HydrophobicContact CB-CZ3 4.15Å; K89-W110 HydrophobicContact CD-CD2 3.78Å; K89-W110 HydrophobicContact CD-CE3 4.28Å; K89-W110 HydrophobicContact CD-CG 4.21Å; K89-W110 HydrophobicContact CD-CH2 4.39Å; K89-W110 HydrophobicContact CD-CZ2 3.89Å; K89-W110 HydrophobicContact CG-CD2 3.85Å; K89-W110 HydrophobicContact CG-CE3 3.89Å; K89-W110 HydrophobicContact CG-CH2 3.51Å; K89-W110 HydrophobicContact CG-CZ2 3.43Å; K89-W110 VanDerWaalsContact CG-CZ2 3.43Å; K89-W110 HydrophobicContact CG-CZ3 3.72Å; E106-W110 PolarHBondContact O-N 3.19Å; Y107-W110 HydrophobicContact CD2-CE3 4.44Å; Y107-W110 HydrophobicContact CE2-CE3 4.06Å; Y107-W110 HydrophobicContact CE2-CZ3 4.12Å; Y107-W110 PolarHBondContact O-N 3.26Å; W110-K112 VanDerWaalsContact C-N 3.3Å; W110-K112 PolarHBondContact O-N 3.31Å; W110-K113 PolarHBondContact O-N 2.9Å; W110-F114 HydrophobicContact CH2-CB 4.11Å; W110-F114 HydrophobicContact CH2-CD1 4.44Å; W110-F114 HydrophobicContact CH2-CD2 4.32Å; W110-F114 HydrophobicContact CH2-CG 4.03Å; W110-F114 HydrophobicContact CZ2-CB 3.98Å; W110-F114 HydrophobicContact CZ2-CD2 4.18Å; W110-F114 HydrophobicContact CZ2-CG 4.14Å; W110-F114 PolarHBondContact O-N 3.23Å
111F98.1Very high96.7Very high0 Ų043.7 Ų43.70%023%0.228CC..Hα-helixtrans-62.9-36.6-178.2-167.8-85000112W23 Y44 F47 F82 Y107 V108 Q109 F114 F115W23-F111 HydrophobicContact CH2-CD1 4.32Å; Y44-F111 HydrophobicContact CD1-CB 4.42Å; Y44-F111 AromaticContact CD1-CD1 3.81Å; Y44-F111 HydrophobicContact CD1-CD1 3.81Å; Y44-F111 AromaticContact CD1-CD2 3.66Å; Y44-F111 HydrophobicContact CD1-CD2 3.66Å; Y44-F111 AromaticContact CD1-CE1 3.94Å; Y44-F111 HydrophobicContact CD1-CE1 3.94Å; Y44-F111 AromaticContact CD1-CE2 3.79Å; Y44-F111 HydrophobicContact CD1-CE2 3.79Å; Y44-F111 AromaticContact CD1-CG 3.68Å; Y44-F111 HydrophobicContact CD1-CG 3.68Å; Y44-F111 AromaticContact CD1-CZ 3.94Å; Y44-F111 HydrophobicContact CD1-CZ 3.94Å; Y44-F111 HydrophobicContact CE1-CB 4.04Å; Y44-F111 HydrophobicContact CE1-CD1 4.04Å; Y44-F111 HydrophobicContact CE1-CD2 4.12Å; Y44-F111 AromaticContact CE1-CG 3.78Å; Y44-F111 HydrophobicContact CE1-CG 3.78Å; Y44-F111 HydrophobicContact CG-CD2 4.49Å; Y44-F111 HydrophobicContact CG-CE2 4.39Å; F47-F111 HydrophobicContact CB-CE1 3.51Å; F47-F111 HydrophobicContact CB-CZ 3.62Å; F47-F111 HydrophobicContact CD2-CD1 4.48Å; F47-F111 AromaticContact CD2-CE1 3.75Å; F47-F111 HydrophobicContact CD2-CE1 3.75Å; F47-F111 HydrophobicContact CD2-CZ 4.48Å; F47-F111 AromaticContact CG-CE1 3.8Å; F47-F111 HydrophobicContact CG-CE1 3.8Å; F47-F111 HydrophobicContact CG-CZ 4.38Å; F82-F111 HydrophobicContact CE1-CE2 4.3Å; F82-F111 HydrophobicContact CZ-CD2 4.42Å; F82-F111 HydrophobicContact CZ-CE2 4.2Å; Y107-F111 HydrophobicContact CE1-CD2 4.27Å; Y107-F111 WeakPolarHBondContact O-CB 3.44Å; Y107-F111 PolarHBondContact O-N 3.37Å; V108-F111 PolarHBondContact O-N 3.44Å; Q109-F111 VanDerWaalsContact C-N 3.34Å; Q109-F111 PolarHBondContact O-N 2.82Å; F111-F114 HydrophobicContact CE2-CD1 4.43Å; F111-F114 WeakPolarHBondContact O-CB 3.46Å; F111-F114 PolarHBondContact O-N 2.88Å; F111-F115 WeakPolarHBondContact O-CB 3.41Å; F111-F115 PolarHBondContact O-N 3.23Å
112K97.1Very high96.6Very high27 Ų2744 Ų4412%0.11723%0.229CC..Hα-helixtrans-61.5-47.3173.7177.856.4163.381.60111.7L15 M20 W23 V108 Q109 W110 F114 F115 D116L15-K112 HydrophobicContact CD1-CG 4.03Å; L15-K112 HydrophobicContact CD2-CG 4.47Å; M20-K112 HydrophobicContact CE-CB 4Å; M20-K112 HydrophobicContact CE-CG 4.45Å; M20-K112 HydrophobicContact SD-CB 4.2Å; W23-K112 HydrophobicContact CD2-CD 3.57Å; W23-K112 VanDerWaalsContact CE2-CD 3.46Å; W23-K112 HydrophobicContact CE3-CB 4.49Å; W23-K112 HydrophobicContact CE3-CD 3.65Å; W23-K112 HydrophobicContact CE3-CG 4.41Å; W23-K112 HydrophobicContact CG-CD 4.32Å; W23-K112 HydrophobicContact CH2-CB 4.17Å; W23-K112 HydrophobicContact CH2-CD 3.6Å; W23-K112 HydrophobicContact CH2-CG 4.49Å; W23-K112 HydrophobicContact CZ2-CD 3.5Å; W23-K112 VanDerWaalsContact CZ2-CD 3.5Å; W23-K112 HydrophobicContact CZ3-CB 3.96Å; W23-K112 HydrophobicContact CZ3-CD 3.68Å; W23-K112 HydrophobicContact CZ3-CG 4.31Å; V108-K112 WeakPolarHBondContact O-CB 3.34Å; V108-K112 PolarHBondContact O-N 3.5Å; Q109-K112 PolarHBondContact O-N 3.19Å; W110-K112 VanDerWaalsContact C-N 3.3Å; W110-K112 PolarHBondContact O-N 3.31Å; K112-F114 VanDerWaalsContact C-N 3.3Å; K112-F114 PolarHBondContact O-N 3.48Å; K112-F115 WeakPolarHBondContact O-CB 3.42Å; K112-F115 PolarHBondContact O-N 2.86Å; K112-F115 VanDerWaalsContact O-N 3.14Å; K112-D116 IonicContact NZ-OD1 2.64Å; K112-D116 PolarHBondContact NZ-OD1 3Å; K112-D116 IonicContact NZ-OD2 2.64Å; K112-D116 PolarHBondContact NZ-OD2 3.3Å; K112-D116 VanDerWaalsContact O-CG 3.28Å; K112-D116 PolarHBondContact O-N 3.13Å
113K95.2Very high96.5Very high34 Ų3446.2 Ų46.215%0.14824%0.24CC..Hα-helixtrans-62.5-39.9176.5-60.9-174.6-171.8-166.20111.4V5 C11 S12 N14 Q109 W110 A117V5-K113 HydrophobicContact CG1-CB 4Å; C11-K113 HydrophobicContact CB-CD 4.24Å; C11-K113 PolarHBondContact O-NZ 2.92Å; S12-K113 WeakPolarHBondContact O-CE 3.19Å; S12-K113 PolarHBondContact O-NZ 3.05Å; N14-K113 WeakPolarHBondContact OD1-CE 3.36Å; N14-K113 PolarHBondContact OD1-NZ 3.09Å; Q109-K113 PolarHBondContact O-N 3.27Å; W110-K113 PolarHBondContact O-N 2.9Å; K113-A117 WeakPolarHBondContact O-CB 3.46Å; K113-A117 PolarHBondContact O-N 3.07Å; K113-A117 VanDerWaalsContact O-N 3.12Å
114F97Very high96.5Very high0 Ų047.3 Ų47.30%024%0.242CC..Hα-helixtrans-61.3-43.7172.5172-101.5000112A2 V3 M48 L51 F52 V87 W110 F111 K112 A117 N118A2-F114 HydrophobicContact CB-CE2 3.92Å; A2-F114 HydrophobicContact CB-CZ 3.96Å; V3-F114 WeakPolarHBondContact O-CE2 3.4Å; M48-F114 HydrophobicContact SD-CE1 3.93Å; M48-F114 HydrophobicContact SD-CZ 4.44Å; L51-F114 HydrophobicContact CD1-CD1 4.17Å; L51-F114 HydrophobicContact CD1-CE1 3.72Å; F52-F114 HydrophobicContact CE2-CE1 4.46Å; F52-F114 HydrophobicContact CE2-CZ 4.02Å; V87-F114 HydrophobicContact CG1-CE2 4.18Å; V87-F114 HydrophobicContact CG1-CZ 4.46Å; V87-F114 HydrophobicContact CG2-CE2 3.77Å; V87-F114 HydrophobicContact CG2-CZ 3.6Å; W110-F114 HydrophobicContact CH2-CB 4.11Å; W110-F114 HydrophobicContact CH2-CD1 4.44Å; W110-F114 HydrophobicContact CH2-CD2 4.32Å; W110-F114 HydrophobicContact CH2-CG 4.03Å; W110-F114 HydrophobicContact CZ2-CB 3.98Å; W110-F114 HydrophobicContact CZ2-CD2 4.18Å; W110-F114 HydrophobicContact CZ2-CG 4.14Å; W110-F114 PolarHBondContact O-N 3.23Å; F111-F114 HydrophobicContact CE2-CD1 4.43Å; F111-F114 WeakPolarHBondContact O-CB 3.46Å; F111-F114 PolarHBondContact O-N 2.88Å; K112-F114 VanDerWaalsContact C-N 3.3Å; K112-F114 PolarHBondContact O-N 3.48Å; F114-A117 PolarHBondContact O-N 2.95Å; F114-N118 WeakPolarHBondContact CD2-ND2 3.24Å; F114-N118 WeakPolarHBondContact CE2-ND2 3.01Å; F114-N118 PolarHBondContact O-N 3.48Å; F114-N118 PolarHBondContact O-ND2 3.02Å
115F97.6Very high96.4Very high8 Ų851.1 Ų51.14%0.03526%0.262CS..Hα-helixtrans-61-50.8177.4-177.3-85.2000111W23 F47 M50 L51 F111 K112 A117 N118 Y119W23-F115 HydrophobicContact CH2-CB 4.36Å; W23-F115 HydrophobicContact CH2-CG 4.45Å; W23-F115 HydrophobicContact CZ2-CB 4.12Å; W23-F115 AromaticContact CZ2-CD1 3.84Å; W23-F115 HydrophobicContact CZ2-CD1 3.84Å; W23-F115 HydrophobicContact CZ2-CD2 4.24Å; W23-F115 HydrophobicContact CZ2-CE1 4.35Å; W23-F115 AromaticContact CZ2-CG 3.79Å; W23-F115 HydrophobicContact CZ2-CG 3.79Å; F47-F115 HydrophobicContact CB-CD2 4.47Å; F47-F115 AromaticContact CD1-CD2 3.84Å; F47-F115 HydrophobicContact CD1-CD2 3.84Å; F47-F115 AromaticContact CD1-CE2 3.58Å; F47-F115 HydrophobicContact CD1-CE2 3.58Å; F47-F115 HydrophobicContact CD1-CZ 4.42Å; F47-F115 HydrophobicContact CE1-CD2 4.41Å; F47-F115 HydrophobicContact CE1-CE2 4.11Å; F47-F115 HydrophobicContact CG-CD2 4.4Å; F47-F115 HydrophobicContact CG-CE2 4.49Å; M50-F115 HydrophobicContact CG-CE2 4.41Å; M50-F115 HydrophobicContact SD-CE2 3.56Å; M50-F115 VanDerWaalsContact SD-CE2 3.56Å; M50-F115 HydrophobicContact SD-CZ 3.53Å; M50-F115 VanDerWaalsContact SD-CZ 3.53Å; L51-F115 HydrophobicContact CD1-CD2 3.8Å; L51-F115 HydrophobicContact CD1-CE2 4.44Å; L51-F115 HydrophobicContact CD1-CG 4.5Å; L51-F115 HydrophobicContact CD2-CD2 3.58Å; L51-F115 HydrophobicContact CD2-CE2 3.65Å; L51-F115 HydrophobicContact CD2-CG 4.12Å; L51-F115 HydrophobicContact CD2-CZ 4.27Å; L51-F115 HydrophobicContact CG-CD2 3.67Å; L51-F115 HydrophobicContact CG-CE2 3.82Å; F111-F115 WeakPolarHBondContact O-CB 3.41Å; F111-F115 PolarHBondContact O-N 3.23Å; K112-F115 WeakPolarHBondContact O-CB 3.42Å; K112-F115 PolarHBondContact O-N 2.86Å; K112-F115 VanDerWaalsContact O-N 3.14Å; F115-A117 VanDerWaalsContact C-N 3.26Å; F115-A117 PolarHBondContact O-N 3.45Å; F115-N118 CarbonylContact O-C 3.6Å; F115-N118 PolarHBondContact O-N 3.29Å; F115-Y119 HydrophobicContact CD1-CG 4.48Å; F115-Y119 AromaticContact CE1-CD1 3.93Å; F115-Y119 HydrophobicContact CE1-CD1 3.93Å; F115-Y119 AromaticContact CE1-CD2 4Å; F115-Y119 HydrophobicContact CE1-CD2 4Å; F115-Y119 AromaticContact CE1-CG 3.61Å; F115-Y119 HydrophobicContact CE1-CG 3.61Å; F115-Y119 HydrophobicContact CE2-CD2 4.22Å; F115-Y119 HydrophobicContact CZ-CD1 4.21Å; F115-Y119 AromaticContact CZ-CD2 3.52Å; F115-Y119 HydrophobicContact CZ-CD2 3.52Å; 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 3.34Å; F115-Y119 PolarHBondContact O-N 2.99Å
116D95.9Very high96.3Very high84 Ų8449.2 Ų49.245%0.44925%0.254SS..Hα-helixtrans-60.6-35.7-179-65.5-20.3000112.8K112 N118K112-D116 IonicContact NZ-OD1 2.64Å; K112-D116 PolarHBondContact NZ-OD1 3Å; K112-D116 IonicContact NZ-OD2 2.64Å; K112-D116 PolarHBondContact NZ-OD2 3.3Å; K112-D116 VanDerWaalsContact O-CG 3.28Å; K112-D116 PolarHBondContact O-N 3.13Å; D116-N118 PolarHBondContact O-N 3.33Å
117A95.9Very high96.2Very high47 Ų4745.8 Ų45.839%0.38824%0.243SC..Hα-helixtrans-71.5-16.4177.400000114V3 V5 K113 F114 F115V3-A117 HydrophobicContact CG1-CB 4.43Å; V5-A117 HydrophobicContact CG2-CB 3.58Å; K113-A117 WeakPolarHBondContact O-CB 3.46Å; K113-A117 PolarHBondContact O-N 3.07Å; K113-A117 VanDerWaalsContact O-N 3.12Å; F114-A117 PolarHBondContact O-N 2.95Å; F115-A117 VanDerWaalsContact C-N 3.26Å; F115-A117 PolarHBondContact O-N 3.45Å
118N97.3Very high96Very high21 Ų2152.4 Ų52.411%0.11227%0.274CS..Hα-helixtrans-120.8-15.8-172.4-74.1-84000114.2A2 V3 L51 F52 F114 F115 D116 D120A2-N118 WeakPolarHBondContact CA-OD1 3.11Å; V3-N118 PolarHBondContact N-OD1 3.02Å; V3-N118 PolarHBondContact O-ND2 3.4Å; L51-N118 HydrophobicContact CD1-CB 4.45Å; L51-N118 HydrophobicContact CD2-CB 4Å; F52-N118 HydrophobicContact CE1-CB 4.49Å; F52-N118 HydrophobicContact CZ-CB 3.81Å; F52-N118 WeakPolarHBondContact CZ-OD1 3.13Å; F114-N118 WeakPolarHBondContact CD2-ND2 3.24Å; F114-N118 WeakPolarHBondContact CE2-ND2 3.01Å; F114-N118 PolarHBondContact O-N 3.48Å; F114-N118 PolarHBondContact O-ND2 3.02Å; F115-N118 CarbonylContact O-C 3.6Å; F115-N118 PolarHBondContact O-N 3.29Å; D116-N118 PolarHBondContact O-N 3.33Å; N118-D120 PolarHBondContact O-N 2.72Å
119Y97.1Very high95.8Very high91 Ų9153.7 Ų53.736%0.35728%0.284SS..  trans-75.9125.7-179-170.5-120.3000110.5M50 L51 F115 K122M50-Y119 HydrophobicContact CG-CE2 4.09Å; M50-Y119 HydrophobicContact SD-CE2 4.17Å; L51-Y119 HydrophobicContact CD2-CD2 4.11Å; L51-Y119 HydrophobicContact CD2-CG 4.47Å; F115-Y119 HydrophobicContact CD1-CG 4.48Å; F115-Y119 AromaticContact CE1-CD1 3.93Å; F115-Y119 HydrophobicContact CE1-CD1 3.93Å; F115-Y119 AromaticContact CE1-CD2 4Å; F115-Y119 HydrophobicContact CE1-CD2 4Å; F115-Y119 AromaticContact CE1-CG 3.61Å; F115-Y119 HydrophobicContact CE1-CG 3.61Å; F115-Y119 HydrophobicContact CE2-CD2 4.22Å; F115-Y119 HydrophobicContact CZ-CD1 4.21Å; F115-Y119 AromaticContact CZ-CD2 3.52Å; F115-Y119 HydrophobicContact CZ-CD2 3.52Å; 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 3.34Å; F115-Y119 PolarHBondContact O-N 2.99Å; Y119-K122 HydrophobicContact CE2-CG 4.43Å; Y119-K122 PolarHBondContact OH-O 3.39Å
120D95Very high95.7Very high109 Ų10953.3 Ų53.358%0.58328%0.282SS*.  trans-98.95.9-177.259.412.1000112.8N118 K122N118-D120 PolarHBondContact O-N 2.72Å; D120-K122 WeakPolarHBondContact OD1-CB 3.4Å; D120-K122 WeakPolarHBondContact OD1-CE 3.19Å; D120-K122 PolarHBondContact OD1-N 2.97Å; D120-K122 IonicContact OD1-NZ 2.89Å; D120-K122 WeakPolarHBondContact OD2-CE 3.37Å; D120-K122 IonicContact OD2-NZ 3.6Å; D120-K122 PolarHBondContact OD2-NZ 3.13Å
121G94.5Very high95.3Very high53 Ų5359.1 Ų59.155%0.54631%0.309SS..  trans82.49.4179.900000115.2
122K93.7Very high94.1Very high61 Ų6162 Ų6227%0.26534%0.339SS..  trans-59.8143.3178.776-16872.5175.60112.4M50 L51 Y119 D120M50-K122 WeakPolarHBondContact O-CD 3.36Å; L51-K122 PolarHBondContact O-NZ 2.94Å; Y119-K122 HydrophobicContact CE2-CG 4.43Å; Y119-K122 PolarHBondContact OH-O 3.39Å; D120-K122 WeakPolarHBondContact OD1-CB 3.4Å; D120-K122 WeakPolarHBondContact OD1-CE 3.19Å; D120-K122 PolarHBondContact OD1-N 2.97Å; D120-K122 IonicContact OD1-NZ 2.89Å; D120-K122 WeakPolarHBondContact OD2-CE 3.37Å; D120-K122 IonicContact OD2-NZ 3.6Å; D120-K122 PolarHBondContact OD2-NZ 3.13Å
123E95.4Very high93.2Very high198 Ų19864.3 Ų64.393%0.92535%0.35SS*.  trans-65.8140.6169.7-65.2-177.8172.800110.3
124Y96.7Very high92.1Very high51 Ų5169 Ų6920%0.238%0.377CS..  trans-144.4126178.7179.1-99.1000109.4Q46 M50 P126 A129Q46-Y124 HydrophobicContact CG-CE1 4.25Å; Q46-Y124 VanDerWaalsContact CG-OH 3.23Å; Q46-Y124 WeakPolarHBondContact CG-OH 3.27Å; M50-Y124 HydrophobicContact CB-CD1 4.03Å; M50-Y124 HydrophobicContact CB-CD2 4.04Å; M50-Y124 HydrophobicContact CB-CE1 4Å; M50-Y124 HydrophobicContact CB-CE2 4.09Å; M50-Y124 HydrophobicContact CB-CG 4Å; M50-Y124 HydrophobicContact CE-CD1 3.22Å; M50-Y124 HydrophobicContact CE-CE1 3.68Å; M50-Y124 HydrophobicContact CE-CG 3.98Å; M50-Y124 HydrophobicContact CG-CD1 3.9Å; M50-Y124 HydrophobicContact CG-CD2 4.17Å; M50-Y124 HydrophobicContact CG-CE1 4.38Å; M50-Y124 HydrophobicContact CG-CG 3.74Å; M50-Y124 HydrophobicContact SD-CD1 4.38Å; Y124-P126 HydrophobicContact CD1-CB 4.02Å; Y124-P126 VanDerWaalsContact CE1-CA 3.47Å; Y124-P126 HydrophobicContact CE1-CB 3.69Å; Y124-P126 WeakPolarHBondContact O-CD 3.48Å; Y124-A129 HydrophobicContact CE1-CB 4.43Å; Y124-A129 HydrophobicContact CE2-CB 4.1Å; Y124-A129 VanDerWaalsContact OH-CB 3.28Å; Y124-A129 WeakPolarHBondContact OH-CB 3.29Å
125D96Very high90.7Very high79 Ų7970.8 Ų70.842%0.42239%0.388SS..  trans-93.5101.6171.3-172.7-28.1000109.6V127 E128 A129D125-V127 VanDerWaalsContact C-N 3.28Å; D125-V127 PolarHBondContact O-N 3.36Å; D125-V127 WeakPolarHBondContact OD1-CA 3.42Å; D125-V127 WeakPolarHBondContact OD1-CB 3.48Å; D125-V127 PolarHBondContact OD1-N 3.37Å; D125-E128 HydrophobicContact CB-CB 3.95Å; D125-E128 PolarHBondContact OD1-N 3.02Å; D125-A129 WeakPolarHBondContact O-CB 3.47Å; D125-A129 PolarHBondContact O-N 3.04Å; D125-A129 VanDerWaalsContact O-N 3.1Å
126P95.3Very high89.1Confident3 Ų372.7 Ų72.72%0.01940%0.398CS..Hα-helixtrans-71.2-23-178.731.3-37.3000113.1L28 Q29 Q46 Y124 R130L28-P126 HydrophobicContact CD2-CB 4.44Å; L28-P126 VanDerWaalsContact O-CB 3.32Å; L28-P126 WeakPolarHBondContact O-CB 3.49Å; L28-P126 WeakPolarHBondContact O-CG 3.39Å; Q29-P126 HydrophobicContact CB-CG 3.99Å; Q29-P126 HydrophobicContact CG-CG 3.81Å; Q46-P126 VanDerWaalsContact NE2-CA 3.29Å; Q46-P126 VanDerWaalsContact NE2-CB 3.32Å; Q46-P126 PolarHBondContact NE2-O 3.49Å; Y124-P126 HydrophobicContact CD1-CB 4.02Å; Y124-P126 VanDerWaalsContact CE1-CA 3.47Å; Y124-P126 HydrophobicContact CE1-CB 3.69Å; Y124-P126 WeakPolarHBondContact O-CD 3.48Å; P126-R130 WeakPolarHBondContact O-CG 3.35Å; P126-R130 PolarHBondContact O-N 3.1Å; P126-R130 PolarHBondContact O-NH1 3.27Å
127V94.1Very high86.7Confident62 Ų6272.3 Ų72.338%0.37640%0.4SS..Hα-helixtrans-78.3-45-179.4175.50000109.6Q29 D125 A129 R130 Q131Q29-V127 HydrophobicContact CB-CG2 4.04Å; D125-V127 VanDerWaalsContact C-N 3.28Å; D125-V127 PolarHBondContact O-N 3.36Å; D125-V127 WeakPolarHBondContact OD1-CA 3.42Å; D125-V127 WeakPolarHBondContact OD1-CB 3.48Å; D125-V127 PolarHBondContact OD1-N 3.37Å; V127-A129 VanDerWaalsContact C-N 3.34Å; V127-R130 PolarHBondContact O-N 3.12Å; V127-Q131 PolarHBondContact O-N 2.99Å
128E93.6Very high84Confident145 Ų14574.8 Ų74.868%0.67841%0.414SS*.Hα-helixtrans-61.6-43.8174.4-166-166.8167.100111D125 R130 Q131D125-E128 HydrophobicContact CB-CB 3.95Å; D125-E128 PolarHBondContact OD1-N 3.02Å; E128-R130 PolarHBondContact O-N 2.53Å; E128-Q131 WeakPolarHBondContact O-CA 3.34Å; E128-Q131 PolarHBondContact O-N 3.1Å
129A94.3Very high81Confident27 Ų2779.4 Ų79.422%0.22345%0.445CS..Hα-helixtrans-58.7-34.2178.900000112.7L58 Y124 D125 V127 Q131L58-A129 HydrophobicContact CD2-CB 3.76Å; L58-A129 WeakPolarHBondContact CD2-O 3.15Å; Y124-A129 HydrophobicContact CE1-CB 4.43Å; Y124-A129 HydrophobicContact CE2-CB 4.1Å; Y124-A129 VanDerWaalsContact OH-CB 3.28Å; Y124-A129 WeakPolarHBondContact OH-CB 3.29Å; D125-A129 WeakPolarHBondContact O-CB 3.47Å; D125-A129 PolarHBondContact O-N 3.04Å; D125-A129 VanDerWaalsContact O-N 3.1Å; V127-A129 VanDerWaalsContact C-N 3.34Å; A129-Q131 VanDerWaalsContact C-N 3.27Å; A129-Q131 PolarHBondContact O-N 3.21Å
130R93.9Very high78.2Confident12 Ų1279.6 Ų79.65%0.04547%0.465CS..THydrogen-bonded Turntrans-76.5-11.6173.8-72-169.6-63.2-98.24.7114.1L28 Q29 Q46 F63 P126 V127 E128 G132 Q133L28-R130 PolarHBondContact O-NH1 2.85Å; L28-R130 PolarHBondContact O-NH2 2.95Å; L28-R130 VanDerWaalsContact O-NH2 3.08Å; Q29-R130 PolarHBondContact O-NH2 3.08Å; Q46-R130 VanDerWaalsContact NE2-NH1 3.15Å; F63-R130 HydrophobicContact CD1-CG 3.99Å; F63-R130 HydrophobicContact CD2-CG 4.29Å; F63-R130 HydrophobicContact CE1-CG 3.67Å; F63-R130 HydrophobicContact CE2-CG 3.99Å; F63-R130 HydrophobicContact CG-CG 4.29Å; F63-R130 HydrophobicContact CZ-CG 3.66Å; P126-R130 WeakPolarHBondContact O-CG 3.35Å; P126-R130 PolarHBondContact O-N 3.1Å; P126-R130 PolarHBondContact O-NH1 3.27Å; V127-R130 PolarHBondContact O-N 3.12Å; E128-R130 PolarHBondContact O-N 2.53Å; R130-G132 PolarHBondContact O-N 2.85Å; R130-Q133 WeakPolarHBondContact O-CB 3.42Å; R130-Q133 WeakPolarHBondContact O-CG 3.42Å; R130-Q133 PolarHBondContact O-N 3.48Å; R130-Q133 VanDerWaalsContact O-N 3.09Å
131Q87.1Confident75.4Confident129 Ų12981 Ų8160%0.60348%0.478SS*.THydrogen-bonded Turntrans55.537-177.4-50.6-168.4-23.900112.4V127 E128 A129 Q133V127-Q131 PolarHBondContact O-N 2.99Å; E128-Q131 WeakPolarHBondContact O-CA 3.34Å; E128-Q131 PolarHBondContact O-N 3.1Å; A129-Q131 VanDerWaalsContact C-N 3.27Å; A129-Q131 PolarHBondContact O-N 3.21Å; Q131-Q133 VanDerWaalsContact C-N 3.3Å; Q131-Q133 PolarHBondContact O-N 3.12Å
132G74.6Confident72.8Confident60 Ų6084 Ų8462%0.61949%0.49SS*.THydrogen-bonded Turntrans7314-178.500000115.3R130 D134R130-G132 PolarHBondContact O-N 2.85Å; G132-D134 PolarHBondContact O-N 3.02Å
133Q77.1Confident70.1Confident76 Ų7686 Ų8636%0.35552%0.518SS..  trans-66.9126.6168.8-71.4-178.352.300110.5F63 R130 Q131 T135F63-Q133 HydrophobicContact CB-CB 4.3Å; F63-Q133 HydrophobicContact CD2-CB 4.25Å; R130-Q133 WeakPolarHBondContact O-CB 3.42Å; R130-Q133 WeakPolarHBondContact O-CG 3.42Å; R130-Q133 PolarHBondContact O-N 3.48Å; R130-Q133 VanDerWaalsContact O-N 3.09Å; Q131-Q133 VanDerWaalsContact C-N 3.3Å; Q131-Q133 PolarHBondContact O-N 3.12Å; Q133-T135 PolarHBondContact O-N 3.16Å
134D72.4Confident67.6Low133 Ų13383.9 Ų83.971%0.71151%0.512SS*.  trans-61.1128.4175.5-77-38.5000110.9G132G132-D134 PolarHBondContact O-N 3.02Å
135T68.1Low64.8Low38 Ų3888.7 Ų88.723%0.23354%0.542CS..  trans-91.8109.6171.952.70000108.6I30 F63 Q133I30-T135 HydrophobicContact CG2-CG2 3.69Å; I30-T135 WeakPolarHBondContact CG2-OG1 3.47Å; F63-T135 HydrophobicContact CB-CG2 4.34Å; F63-T135 HydrophobicContact CD1-CG2 4.08Å; Q133-T135 PolarHBondContact O-N 3.16Å
136M63.8Low62.2Low48 Ų4894.6 Ų94.624%0.23656%0.563CS.*SBendtrans66153.9178-57.7-64.3-76.200115L32 L37 F63 S138L32-M136 HydrophobicContact CD2-CG 4.35Å; L37-M136 HydrophobicContact CB-CE 4.05Å; L37-M136 HydrophobicContact CD1-CE 4.25Å; L37-M136 HydrophobicContact CD2-CE 3.73Å; L37-M136 HydrophobicContact CG-CE 4.21Å; F63-M136 PolarHBondContact O-N 3.05Å; M136-S138 PolarHBondContact O-N 3.25Å
137P45.8Very low59.5Low76 Ų76100.1 Ų100.149%0.49460%0.599SS.*  trans-69.8117.6175.427.5-30.8000109.6
138S38.4Very low56.7Low99 Ų99106.7 Ų106.769%0.69262%0.623SS**  trans-48137.1152.7-169.20000108.1M136 A140M136-S138 PolarHBondContact O-N 3.25Å; S138-A140 PolarHBondContact O-N 2.89Å
139P35Very low53.9Low117 Ų117109.5 Ų109.576%0.7663%0.633SS**  trans-55.5113.7170.921.6-29.5000106.9V141P139-V141 PolarHBondContact O-N 3.42Å
140A36.9Very low51.1Low95 Ų95116 Ų11679%0.78566%0.662SS**  trans-64.2103.9-174.600000108.4S138 S142S138-A140 PolarHBondContact O-N 2.89Å; A140-S142 PolarHBondContact O-N 3.16Å
141V36Very low48.4Very low139 Ų139122.7 Ų122.784%0.84270%0.698SS**  trans-54.4126155.2-76.60000107.4P139 A143P139-V141 PolarHBondContact O-N 3.42Å; V141-A143 PolarHBondContact O-N 2.91Å
142S40.2Very low46.1Very low116 Ų116124.5 Ų124.581%0.81171%0.712SS**  trans-51.4109.9-171-50.80000112.6A140 L144A140-S142 PolarHBondContact O-N 3.16Å; S142-L144 PolarHBondContact O-N 2.86Å
143A38.5Very low44.2Very low102 Ų102126.2 Ų126.284%0.84372%0.72SS**  trans-88.585.4162.200000108.4V141V141-A143 PolarHBondContact O-N 2.91Å
144L42.3Very low42.3Very low154 Ų154127.1 Ų127.181%0.80674%0.74SS**  trans-46.4131.8171.8-164.371.1000111.6S142 K146S142-L144 PolarHBondContact O-N 2.86Å; L144-K146 PolarHBondContact O-N 3.16Å
145N38.1Very low41.1Very low153 Ų153126.3 Ų126.382%0.81874%0.742SS**  trans-37.1121.6164.5-80.5-21.9000111.4P147N145-P147 WeakPolarHBondContact O-CD 3.48Å
146K41Very low39.6Very low202 Ų202133.5 Ų133.588%0.87877%0.773SS**  trans-92.8112.6162.6-80.6178.9178.4172.70109.1L144L144-K146 PolarHBondContact O-N 3.16Å
147P38.6Very low38.1Very low119 Ų119142.9 Ų142.977%0.77381%0.806SS**PPolyproline II helixtrans-77.6135.4160.5-3.921.7000109.6N145 K149N145-P147 WeakPolarHBondContact O-CD 3.48Å; P147-K149 PolarHBondContact O-N 3.15Å
148K36.1Very low37.6Very low200 Ų200144.1 Ų144.187%0.8782%0.823SS**PPolyproline II helixtrans-61.6128.3176-71.1172.2172.7170.40110.5
149K34.2Very low37.5Very low204 Ų204144.3 Ų144.389%0.88783%0.831SS**PPolyproline II helixtrans-70125.7165.7-80.3-177.6176.8179.40109.4P147P147-K149 PolarHBondContact O-N 3.15Å
150I36Very low37.5Very low164 Ų164145.4 Ų145.484%0.84184%0.835SS**  trans-116.5126.3156.1-62.5178.5000106.6
151L37.4Very low37.5Very low152 Ų152145.6 Ų145.680%0.79684%0.837SS**  trans-77.9139.2175-70.8151.4000109.3
152N36.8Very low37.5Very low167 Ų167148.3 Ų148.389%0.89384%0.837SS**  trans-166.8136.1137.8-102.54.9000112.1
153A34.6Very low37.2Very low97 Ų97149.3 Ų149.380%0.80284%0.838SS**  trans-66.1165.8165.100000110.2
154A38.1Very low37.3Very low94 Ų94148.9 Ų148.978%0.77783%0.834SS**  cis-166.7-170.235.100000109
155P46.4Very low37.6Very low116 Ų116147.2 Ų147.275%0.75383%0.833SS**  trans-100163.6-140.840.3-38.6000116.2
156Q37.4Very low37.5Very low189 Ų189149.6 Ų149.688%0.88384%0.836SS**  trans-167126.1146.3-110166.91.700116.2
157R33.1Very low37.2Very low245 Ų245148.4 Ų148.493%0.92584%0.836SS**  trans39.1141.5144.1-77.2-179.2171.5-176.4-2.8123.9
158A34Very low37.5Very low102 Ų102147.2 Ų147.284%0.84384%0.835SS**  trans-70.2154.3178.400000115.7
159A36Very low38Very low104 Ų104143.6 Ų143.686%0.8683%0.833SS**  trans-153.1147.2148.400000110.9
160V35.8Very low38.6Very low140 Ų140139.5 Ų139.585%0.84883%0.83SS**  trans-97.8141.3-169.9-178.10000109.5
161A36.6Very low38.8Very low99 Ų99136.7 Ų136.782%0.81883%0.825SS**  trans178.1146.4136.600000113.1
162K36.3Very low39.4Very low195 Ų195134.1 Ų134.185%0.84883%0.825SS**  trans-79.3161.9-170-59.3166.6175176.30112.5
163V33.8Very low39.7Very low138 Ų138137.1 Ų137.184%0.83682%0.824SS**  178115.6116.7171.20000111.7
164A40.8Very low40.6Very low93 Ų93144 Ų14477%0.76983%0.829SS**  trans50.3150.5143.100000124.6
165P49.1Very low41Very low119 Ų119145.8 Ų145.877%0.77383%0.833SS**  trans-106.5153.6-16139.2-28.1000114.1
166K36.3Very low41.3Very low203 Ų203144.1 Ų144.188%0.88384%0.837SS**  trans-142.5108.5159.8-91.7-174.6178.4174.40112.6
167M34.5Very low42.1Very low177 Ų177140.1 Ų140.187%0.87284%0.836SS**  trans36.6112.6138.8-64.516865.500119.1
168A44.5Very low43Very low93 Ų93131.5 Ų131.577%0.76982%0.824SS**  trans-65.7156.915400000110.9
169P45.8Very low44Very low125 Ų125129 Ų12981%0.81281%0.808SS**  -132.6150.9107.532.4-21.3000113.6
170S47.4Very low45.3Very low118 Ų118126.3 Ų126.383%0.82579%0.79SS**  trans-56.9131.5178.556.90000113.2
171S40.3Very low47Very low105 Ų105126 Ų12673%0.73478%0.783SS**  trans-114103.2150.4-169.80000108R173S171-R173 PolarHBondContact O-N 3.46Å; S171-R173 VanDerWaalsContact O-N 3.09Å
172A50.7Low48.9Very low97 Ų97127.6 Ų127.680%0.80277%0.774SS**  trans-66.898.9165.300000108.3R174A172-R174 PolarHBondContact O-N 3.25Å
173R42.1Very low51Low231 Ų231124.2 Ų124.287%0.87276%0.761SS**  trans-83.6107164.1-85.2-178.7173178.6-2.9108.7S171S171-R173 PolarHBondContact O-N 3.46Å; S171-R173 VanDerWaalsContact O-N 3.09Å
174R53.2Low53.4Low240 Ų240125.2 Ų125.291%0.90675%0.75SS**  trans-67132.2156.7-74.3-178170.4-166-2.7108.5A172A172-R174 PolarHBondContact O-N 3.25Å
175P47.3Very low55.6Low133 Ų133123.4 Ų123.486%0.86474%0.735SS**  trans-90.7118.5164.832-23.6000108.4
176G52.4Low57.3Low81 Ų81123.2 Ų123.284%0.83572%0.724SS**  trans160.468.4175.200000113.7
177A54.9Low59.7Low105 Ų105118.6 Ų118.687%0.86871%0.709SS**  trans-162.583.7162.100000107.6
178G51.5Low62.4Low64 Ų64113.8 Ų113.866%0.6669%0.685SS**SBendtrans-135-6.517500000114.1
179G55.6Low64.6Low50 Ų50114.1 Ų114.152%0.51567%0.671SS.*SBendtrans-97-23.9-179.900000114.8E183G179-E183 PolarHBondContact O-N 3.48Å
180G61.9Low66.6Low47 Ų47112 Ų11249%0.48565%0.65SS.*Hα-helixtrans-74.1-27.6-173.700000114.4R184G180-R184 WeakPolarHBondContact O-CB 3.32Å; G180-R184 PolarHBondContact O-N 3.4Å
181D72.4Confident68.8Low132 Ų132109.6 Ų109.671%0.70663%0.631SS**Hα-helixtrans-74.2-31.7178.9-77.6-23.3000112.1A185D181-A185 WeakPolarHBondContact O-CB 3.4Å; D181-A185 PolarHBondContact O-N 2.77Å
182E75.3Confident71.3Confident133 Ų133109 Ų10962%0.62162%0.619SS**Hα-helixtrans-77.8-44.3179.4-156.6138.7-158.500110.7R184 A185 E186E182-R184 VanDerWaalsContact C-N 3.31Å; E182-R184 PolarHBondContact O-N 2.99Å; E182-A185 WeakPolarHBondContact O-CB 3.23Å; E182-A185 PolarHBondContact O-N 3.07Å; E182-A185 VanDerWaalsContact O-N 3.15Å; E182-E186 WeakPolarHBondContact O-CG 3.49Å; E182-E186 PolarHBondContact O-N 3.27Å
183E81.9Confident73.1Confident124 Ų124107.4 Ų107.458%0.57960%0.597SS**Hα-helixtrans-59.9-40.6170.9-174.9178.4179.400111.9G179 A185 E186 L187G179-E183 PolarHBondContact O-N 3.48Å; E183-A185 PolarHBondContact O-N 2.87Å; E183-E186 PolarHBondContact O-N 3.41Å; E183-L187 HydrophobicContact CG-CD1 4.35Å; E183-L187 WeakPolarHBondContact O-CG 3.38Å; E183-L187 PolarHBondContact O-N 3.16Å
184R84.5Confident75.5Confident159 Ų159100.7 Ų100.760%0.658%0.578SS**Hα-helixtrans-64.8-38.6175.2-177.2176.8-177.5-79.5-3.9112.2G180 E182 I188G180-R184 WeakPolarHBondContact O-CB 3.32Å; G180-R184 PolarHBondContact O-N 3.4Å; E182-R184 VanDerWaalsContact C-N 3.31Å; E182-R184 PolarHBondContact O-N 2.99Å; R184-I188 HydrophobicContact CG-CD1 4.03Å; R184-I188 WeakPolarHBondContact O-CD1 3.45Å; R184-I188 WeakPolarHBondContact O-CG1 3.4Å; R184-I188 PolarHBondContact O-N 3.48Å; R184-I188 VanDerWaalsContact O-N 3.07Å
185A85.9Confident77.4Confident56 Ų5695 Ų9546%0.46356%0.559SS.*Hα-helixtrans-66.3-40.5176.900000111.6D181 E182 E183 I188 Q189D181-A185 WeakPolarHBondContact O-CB 3.4Å; D181-A185 PolarHBondContact O-N 2.77Å; E182-A185 WeakPolarHBondContact O-CB 3.23Å; E182-A185 PolarHBondContact O-N 3.07Å; E182-A185 VanDerWaalsContact O-N 3.15Å; E183-A185 PolarHBondContact O-N 2.87Å; A185-I188 PolarHBondContact O-N 3.33Å; A185-Q189 PolarHBondContact O-N 2.77Å
186E84.7Confident79.4Confident115 Ų11591.4 Ų91.454%0.53754%0.537SS..Hα-helixtrans-64.3-45.3175.9-70.8-178.8175.700112E182 E183 I188 Q189 E190E182-E186 WeakPolarHBondContact O-CG 3.49Å; E182-E186 PolarHBondContact O-N 3.27Å; E183-E186 PolarHBondContact O-N 3.41Å; E186-I188 VanDerWaalsContact C-N 3.31Å; E186-I188 PolarHBondContact O-N 3.49Å; E186-Q189 WeakPolarHBondContact O-CB 3.43Å; E186-Q189 PolarHBondContact O-N 3.27Å; E186-Q189 VanDerWaalsContact O-N 3.13Å; E186-E190 PolarHBondContact O-N 3.01Å
187L87.6Confident81.2Confident106 Ų10690.8 Ų90.856%0.55552%0.517SS*.Hα-helixtrans-61.8-38.1176-73.1170.2000112.3E183 Q189 E190 V191E183-L187 HydrophobicContact CG-CD1 4.35Å; E183-L187 WeakPolarHBondContact O-CG 3.38Å; E183-L187 PolarHBondContact O-N 3.16Å; L187-Q189 VanDerWaalsContact C-N 3.33Å; L187-E190 PolarHBondContact O-N 3.09Å; L187-V191 VanDerWaalsContact O-CG2 3.3Å; L187-V191 WeakPolarHBondContact O-CG2 3.3Å; L187-V191 PolarHBondContact O-N 3.21Å
188I91.2Very high83.1Confident75 Ų7590.2 Ų90.239%0.38550%0.499SS..Hα-helixtrans-64.8-39.9175.2-71.9165.4000110.8R184 A185 E186 V191 N192R184-I188 HydrophobicContact CG-CD1 4.03Å; R184-I188 WeakPolarHBondContact O-CD1 3.45Å; R184-I188 WeakPolarHBondContact O-CG1 3.4Å; R184-I188 PolarHBondContact O-N 3.48Å; R184-I188 VanDerWaalsContact O-N 3.07Å; A185-I188 PolarHBondContact O-N 3.33Å; E186-I188 VanDerWaalsContact C-N 3.31Å; E186-I188 PolarHBondContact O-N 3.49Å; I188-V191 PolarHBondContact O-N 2.8Å; I188-N192 PolarHBondContact O-N 3Å; I188-N192 VanDerWaalsContact O-N 3.09Å; I188-N192 PolarHBondContact O-ND2 3.5Å; I188-N192 VanDerWaalsContact O-ND2 3.16Å
189Q89.8Confident85.2Confident100 Ų10092.3 Ų92.347%0.46749%0.491SS..Hα-helixtrans-64.7-44.9177-176.7175.4-18.800111.5A185 E186 L187 V191 N192 I193A185-Q189 PolarHBondContact O-N 2.77Å; E186-Q189 WeakPolarHBondContact O-CB 3.43Å; E186-Q189 PolarHBondContact O-N 3.27Å; E186-Q189 VanDerWaalsContact O-N 3.13Å; L187-Q189 VanDerWaalsContact C-N 3.33Å; Q189-V191 PolarHBondContact O-N 3.29Å; Q189-N192 PolarHBondContact O-N 3.43Å; Q189-N192 VanDerWaalsContact O-N 3.16Å; Q189-I193 HydrophobicContact CG-CD1 4.14Å; Q189-I193 WeakPolarHBondContact O-CG1 3.32Å; Q189-I193 PolarHBondContact O-N 3.16Å
190E88.2Confident86.7Confident80 Ų8093.7 Ų93.737%0.37449%0.487SS..Hα-helixtrans-60.7-44.9177-168.364.6-142.700111.4E186 L187 N192 I193 L194E186-E190 PolarHBondContact O-N 3.01Å; L187-E190 PolarHBondContact O-N 3.09Å; E190-N192 VanDerWaalsContact C-N 3.26Å; E190-N192 PolarHBondContact O-N 3.07Å; E190-I193 PolarHBondContact O-N 2.86Å; E190-I193 VanDerWaalsContact O-N 3.15Å; E190-L194 HydrophobicContact CG-CD1 4.27Å; E190-L194 WeakPolarHBondContact O-CG 3.28Å; E190-L194 PolarHBondContact O-N 3.25Å
191V93.7Very high88.2Confident69 Ų6997.2 Ų97.242%0.41849%0.492SS..Hα-helixtrans-58.3-39.1175.2167.10000111.7L187 I188 Q189 K195L187-V191 VanDerWaalsContact O-CG2 3.3Å; L187-V191 WeakPolarHBondContact O-CG2 3.3Å; L187-V191 PolarHBondContact O-N 3.21Å; I188-V191 PolarHBondContact O-N 2.8Å; Q189-V191 PolarHBondContact O-N 3.29Å; V191-K195 HydrophobicContact CG1-CD 4.14Å; V191-K195 WeakPolarHBondContact O-CB 3.49Å; V191-K195 VanDerWaalsContact O-CG 3.25Å; V191-K195 WeakPolarHBondContact O-CG 3.25Å; V191-K195 PolarHBondContact O-N 3.42Å
192N92Very high89.3Confident91 Ų9194.9 Ų94.949%0.48748%0.477SS..Hα-helixtrans-69.7-38.3178.5-69.5-27.4000112.2I188 Q189 E190 K195 S196I188-N192 PolarHBondContact O-N 3Å; I188-N192 VanDerWaalsContact O-N 3.09Å; I188-N192 PolarHBondContact O-ND2 3.5Å; I188-N192 VanDerWaalsContact O-ND2 3.16Å; Q189-N192 PolarHBondContact O-N 3.43Å; Q189-N192 VanDerWaalsContact O-N 3.16Å; E190-N192 VanDerWaalsContact C-N 3.26Å; E190-N192 PolarHBondContact O-N 3.07Å; N192-K195 PolarHBondContact O-N 3.43Å; N192-S196 PolarHBondContact O-N 3.19Å
193I89.4Confident90.1Very high65 Ų6594.6 Ų94.633%0.33347%0.474SS..Hα-helixtrans-65.2-47.2175.8-67.6166.7000110.4Q189 E190 K195 S196 T197Q189-I193 HydrophobicContact CG-CD1 4.14Å; Q189-I193 WeakPolarHBondContact O-CG1 3.32Å; Q189-I193 PolarHBondContact O-N 3.16Å; E190-I193 PolarHBondContact O-N 2.86Å; E190-I193 VanDerWaalsContact O-N 3.15Å; I193-K195 VanDerWaalsContact C-N 3.32Å; I193-K195 PolarHBondContact O-N 2.86Å; I193-S196 PolarHBondContact O-N 2.89Å; I193-T197 PolarHBondContact O-N 3.47Å; I193-T197 PolarHBondContact O-OG1 3.15Å
194L92.3Very high90.8Very high90 Ų9094.1 Ų94.147%0.47147%0.472SS..Hα-helixtrans-60.5-42.4177.5-71.4173.2000111.3E190 S196 T197 I198E190-L194 HydrophobicContact CG-CD1 4.27Å; E190-L194 WeakPolarHBondContact O-CG 3.28Å; E190-L194 PolarHBondContact O-N 3.25Å; L194-S196 PolarHBondContact O-N 3.03Å; L194-T197 PolarHBondContact O-N 2.89Å; L194-I198 WeakPolarHBondContact O-CB 3.28Å; L194-I198 VanDerWaalsContact O-CG1 3.28Å; L194-I198 WeakPolarHBondContact O-CG1 3.32Å; L194-I198 PolarHBondContact O-N 3.47Å
195K92.6Very high91.3Very high121 Ų12193.3 Ų93.353%0.52647%0.468SS..Hα-helixtrans-60.1-44.6174.5-78.6175.3178.2-178.40112.6V191 N192 I193 T197 I198 Q199V191-K195 HydrophobicContact CG1-CD 4.14Å; V191-K195 WeakPolarHBondContact O-CB 3.49Å; V191-K195 VanDerWaalsContact O-CG 3.25Å; V191-K195 WeakPolarHBondContact O-CG 3.25Å; V191-K195 PolarHBondContact O-N 3.42Å; N192-K195 PolarHBondContact O-N 3.43Å; I193-K195 VanDerWaalsContact C-N 3.32Å; I193-K195 PolarHBondContact O-N 2.86Å; K195-T197 VanDerWaalsContact C-N 3.32Å; K195-I198 PolarHBondContact O-N 2.98Å; K195-Q199 WeakPolarHBondContact O-CG 3.44Å; K195-Q199 PolarHBondContact O-N 2.99Å
196S88.9Confident91.7Very high57 Ų5794.8 Ų94.840%0.39947%0.468SS..Hα-helixtrans-63.3-41.6176.8-167.80000111.3N192 I193 L194 Q199 D200N192-S196 PolarHBondContact O-N 3.19Å; I193-S196 PolarHBondContact O-N 2.89Å; L194-S196 PolarHBondContact O-N 3.03Å; S196-Q199 PolarHBondContact O-N 3.25Å; S196-D200 PolarHBondContact O-N 2.81Å
197T91.8Very high92.2Very high67 Ų6794.6 Ų94.641%0.41147%0.466SS..Hα-helixtrans-63.1-45.5178.5-53.80000110.9I193 L194 K195 Q199 D200 M201I193-T197 PolarHBondContact O-N 3.47Å; I193-T197 PolarHBondContact O-OG1 3.15Å; L194-T197 PolarHBondContact O-N 2.89Å; K195-T197 VanDerWaalsContact C-N 3.32Å; T197-Q199 VanDerWaalsContact C-N 3.33Å; T197-Q199 PolarHBondContact O-N 3.46Å; T197-D200 PolarHBondContact O-N 2.79Å; T197-M201 HydrophobicContact CG2-SD 4.49Å; T197-M201 WeakPolarHBondContact O-CG 3.34Å; T197-M201 PolarHBondContact O-N 3.24Å
198I95Very high92.6Very high94 Ų9496 Ų9648%0.48247%0.465SS..Hα-helixtrans-59-46.2175.3-70.6166.3000110.3L194 K195 D200 M201 E202L194-I198 WeakPolarHBondContact O-CB 3.28Å; L194-I198 VanDerWaalsContact O-CG1 3.28Å; L194-I198 WeakPolarHBondContact O-CG1 3.32Å; L194-I198 PolarHBondContact O-N 3.47Å; K195-I198 PolarHBondContact O-N 2.98Å; I198-D200 VanDerWaalsContact C-N 3.3Å; I198-D200 PolarHBondContact O-N 3.49Å; I198-M201 PolarHBondContact O-N 3.01Å; I198-E202 HydrophobicContact CG2-CG 4.21Å; I198-E202 WeakPolarHBondContact O-CB 3.4Å; I198-E202 VanDerWaalsContact O-CG 3.28Å; I198-E202 WeakPolarHBondContact O-CG 3.35Å; I198-E202 PolarHBondContact O-N 3.28Å
199Q94.4Very high92.8Very high108 Ų10899 Ų9951%0.50548%0.476SS..Hα-helixtrans-60.6-38.5178.4-76.3178-11.600112.9K195 S196 T197 K203K195-Q199 WeakPolarHBondContact O-CG 3.44Å; K195-Q199 PolarHBondContact O-N 2.99Å; S196-Q199 PolarHBondContact O-N 3.25Å; T197-Q199 VanDerWaalsContact C-N 3.33Å; T197-Q199 PolarHBondContact O-N 3.46Å; Q199-K203 WeakPolarHBondContact O-CG 3.28Å; Q199-K203 PolarHBondContact O-N 2.99Å; Q199-K203 VanDerWaalsContact O-N 3.12Å
200D88.2Confident93.1Very high78 Ų7895.6 Ų95.642%0.41747%0.467SS..Hα-helixtrans-72.8-39.3177.7-68.6-25.3000111.3S196 T197 I198 E202 K203 E204S196-D200 PolarHBondContact O-N 2.81Å; T197-D200 PolarHBondContact O-N 2.79Å; I198-D200 VanDerWaalsContact C-N 3.3Å; I198-D200 PolarHBondContact O-N 3.49Å; D200-E202 VanDerWaalsContact C-N 3.33Å; D200-E202 PolarHBondContact O-N 2.82Å; D200-K203 PolarHBondContact O-N 3.23Å; D200-K203 IonicContact OD1-NZ 2.81Å; D200-K203 PolarHBondContact OD1-NZ 3.35Å; D200-E204 PolarHBondContact O-N 2.9Å
201M92.5Very high93.5Very high122 Ų12296.9 Ų96.960%0.60147%0.472SS*.Hα-helixtrans-62.4-38.1171.7-71.4-17075.100112.6T197 I198 E204 R205T197-M201 HydrophobicContact CG2-SD 4.49Å; T197-M201 WeakPolarHBondContact O-CG 3.34Å; T197-M201 PolarHBondContact O-N 3.24Å; I198-M201 PolarHBondContact O-N 3.01Å; M201-E204 PolarHBondContact O-N 2.91Å; M201-R205 VanDerWaalsContact O-CB 3.32Å; M201-R205 WeakPolarHBondContact O-CB 3.28Å; M201-R205 PolarHBondContact O-N 3.45Å
202E95.1Very high93.6Very high82 Ų8297.8 Ų97.838%0.38347%0.474SS..Hα-helixtrans-63.6-42.5175-75.7176.5147.500111.2I198 D200 E204 R205 D206I198-E202 HydrophobicContact CG2-CG 4.21Å; I198-E202 WeakPolarHBondContact O-CB 3.4Å; I198-E202 VanDerWaalsContact O-CG 3.28Å; I198-E202 WeakPolarHBondContact O-CG 3.35Å; I198-E202 PolarHBondContact O-N 3.28Å; D200-E202 VanDerWaalsContact C-N 3.33Å; D200-E202 PolarHBondContact O-N 2.82Å; E202-E204 VanDerWaalsContact C-N 3.35Å; E202-E204 PolarHBondContact O-N 3.22Å; E202-R205 PolarHBondContact O-N 2.9Å; E202-D206 WeakPolarHBondContact O-CB 3.28Å; E202-D206 PolarHBondContact O-N 3.08Å
203K93Very high93.8Very high128 Ų12897.8 Ų97.856%0.55747%0.467SS*.Hα-helixtrans-62.3-42.2174.3-69.4169.2-159.3153.90112Q199 D200 D206 F207Q199-K203 WeakPolarHBondContact O-CG 3.28Å; Q199-K203 PolarHBondContact O-N 2.99Å; Q199-K203 VanDerWaalsContact O-N 3.12Å; D200-K203 PolarHBondContact O-N 3.23Å; D200-K203 IonicContact OD1-NZ 2.81Å; D200-K203 PolarHBondContact OD1-NZ 3.35Å; K203-D206 PolarHBondContact O-N 2.83Å; K203-F207 VanDerWaalsContact O-CB 3.24Å; K203-F207 WeakPolarHBondContact O-CB 3.43Å; K203-F207 PolarHBondContact O-N 3Å
204E95.3Very high94.1Very high114 Ų11499.3 Ų99.353%0.53348%0.476SS..Hα-helixtrans-65.5-45.2176.8-72.6-170.5156.800111.3D200 M201 E202 D206 F207 Y208D200-E204 PolarHBondContact O-N 2.9Å; M201-E204 PolarHBondContact O-N 2.91Å; E202-E204 VanDerWaalsContact C-N 3.35Å; E202-E204 PolarHBondContact O-N 3.22Å; E204-D206 VanDerWaalsContact C-N 3.34Å; E204-D206 PolarHBondContact O-N 3.42Å; E204-F207 WeakPolarHBondContact O-CB 2.97Å; E204-F207 PolarHBondContact O-N 3.48Å; E204-Y208 HydrophobicContact CB-CD2 4.41Å; E204-Y208 HydrophobicContact CB-CE2 4.11Å; E204-Y208 WeakPolarHBondContact O-CD2 3.24Å; E204-Y208 PolarHBondContact O-N 3.34Å
205R96.3Very high94.2Very high141 Ų14198.6 Ų98.653%0.53247%0.471SS..Hα-helixtrans-54.4-50.5173.7-179.6-160.365.9-155.5-6.7110.7M201 E202 F207 Y208 F209M201-R205 VanDerWaalsContact O-CB 3.32Å; M201-R205 WeakPolarHBondContact O-CB 3.28Å; M201-R205 PolarHBondContact O-N 3.45Å; E202-R205 PolarHBondContact O-N 2.9Å; R205-F207 VanDerWaalsContact C-N 3.31Å; R205-F207 PolarHBondContact O-N 3.43Å; R205-Y208 PolarHBondContact O-N 3.47Å; R205-F209 VanDerWaalsContact O-CB 3.23Å; R205-F209 WeakPolarHBondContact O-CB 3.44Å; R205-F209 PolarHBondContact O-N 3.49Å
206D93.8Very high94.3Very high87 Ų8794.5 Ų94.547%0.46545%0.454SS..Hα-helixtrans-66.3-36.1-178.3-65.6-6.3000111.4E202 K203 E204 G210E202-D206 WeakPolarHBondContact O-CB 3.28Å; E202-D206 PolarHBondContact O-N 3.08Å; K203-D206 PolarHBondContact O-N 2.83Å; E204-D206 VanDerWaalsContact C-N 3.34Å; E204-D206 PolarHBondContact O-N 3.42Å; D206-G210 PolarHBondContact O-N 3.37Å
207F95.7Very high94.5Very high112 Ų11294.8 Ų94.849%0.49145%0.451SS..Hα-helixtrans-63.4-47.1174.6175.8-100.7000112.3K203 E204 R205 K211K203-F207 VanDerWaalsContact O-CB 3.24Å; K203-F207 WeakPolarHBondContact O-CB 3.43Å; K203-F207 PolarHBondContact O-N 3Å; E204-F207 WeakPolarHBondContact O-CB 2.97Å; E204-F207 PolarHBondContact O-N 3.48Å; R205-F207 VanDerWaalsContact C-N 3.31Å; R205-F207 PolarHBondContact O-N 3.43Å; F207-K211 HydrophobicContact CE1-CD 4.14Å; F207-K211 VanDerWaalsContact CE1-CE 3.41Å; F207-K211 HydrophobicContact CZ-CD 4.34Å; F207-K211 VanDerWaalsContact CZ-NZ 3.3Å; F207-K211 WeakPolarHBondContact O-CG 3.38Å; F207-K211 PolarHBondContact O-N 3.25Å
208Y96.6Very high94.5Very high134 Ų13495.9 Ų95.953%0.52545%0.453SS..Hα-helixtrans-70-42178-66.8-59.8000111.7E204 R205 G210 K211 L212E204-Y208 HydrophobicContact CB-CD2 4.41Å; E204-Y208 HydrophobicContact CB-CE2 4.11Å; E204-Y208 WeakPolarHBondContact O-CD2 3.24Å; E204-Y208 PolarHBondContact O-N 3.34Å; R205-Y208 PolarHBondContact O-N 3.47Å; Y208-G210 VanDerWaalsContact C-N 3.34Å; Y208-G210 PolarHBondContact O-N 2.87Å; Y208-K211 WeakPolarHBondContact O-CB 3.23Å; Y208-K211 PolarHBondContact O-N 3.06Å; Y208-K211 VanDerWaalsContact O-N 3.17Å; Y208-L212 WeakPolarHBondContact O-CG 3.37Å; Y208-L212 PolarHBondContact O-N 3.31Å
209F95.3Very high94.3Very high139 Ų13991.7 Ų91.761%0.6143%0.432SS*.Hα-helixtrans-57.9-46.4174.5-179.8-98.5000111.5R205 K211 L212 R213R205-F209 VanDerWaalsContact O-CB 3.23Å; R205-F209 WeakPolarHBondContact O-CB 3.44Å; R205-F209 PolarHBondContact O-N 3.49Å; F209-K211 VanDerWaalsContact C-N 3.29Å; F209-K211 PolarHBondContact O-N 3.17Å; F209-L212 PolarHBondContact O-N 3.11Å; F209-R213 WeakPolarHBondContact O-CB 3.45Å; F209-R213 PolarHBondContact O-N 2.83Å
210G95.4Very high94Very high28 Ų2890.7 Ų90.729%0.28943%0.428SS..Hα-helixtrans-59.8-37.7176.800000113.1D206 Y208 N214D206-G210 PolarHBondContact O-N 3.37Å; Y208-G210 VanDerWaalsContact C-N 3.34Å; Y208-G210 PolarHBondContact O-N 2.87Å; G210-N214 VanDerWaalsContact O-CG 3.24Å; G210-N214 PolarHBondContact O-N 3.39Å; G210-N214 PolarHBondContact O-ND2 3.12Å
211K96.8Very high94Very high108 Ų10894.6 Ų94.647%0.4744%0.443SS..Hα-helixtrans-65.4-46.7173.7-72.8-175.5176.8-166.60112.2F207 Y208 F209 R213 N214 I215F207-K211 HydrophobicContact CE1-CD 4.14Å; F207-K211 VanDerWaalsContact CE1-CE 3.41Å; F207-K211 HydrophobicContact CZ-CD 4.34Å; F207-K211 VanDerWaalsContact CZ-NZ 3.3Å; F207-K211 WeakPolarHBondContact O-CG 3.38Å; F207-K211 PolarHBondContact O-N 3.25Å; Y208-K211 WeakPolarHBondContact O-CB 3.23Å; Y208-K211 PolarHBondContact O-N 3.06Å; Y208-K211 VanDerWaalsContact O-N 3.17Å; F209-K211 VanDerWaalsContact C-N 3.29Å; F209-K211 PolarHBondContact O-N 3.17Å; K211-R213 VanDerWaalsContact C-N 3.33Å; K211-N214 PolarHBondContact O-N 2.89Å; K211-I215 WeakPolarHBondContact O-CG1 3.37Å; K211-I215 PolarHBondContact O-N 3.2Å
212L96.2Very high93.6Very high88 Ų8893.3 Ų93.346%0.46144%0.435SS..Hα-helixtrans-62.6-41.5178.6-66.4170.2000110.9Y208 F209 N214 I215 E216 L237Y208-L212 WeakPolarHBondContact O-CG 3.37Å; Y208-L212 PolarHBondContact O-N 3.31Å; F209-L212 PolarHBondContact O-N 3.11Å; L212-N214 PolarHBondContact O-N 3.25Å; L212-I215 WeakPolarHBondContact O-CB 3.44Å; L212-I215 PolarHBondContact O-N 2.97Å; L212-I215 VanDerWaalsContact O-N 3.16Å; L212-E216 WeakPolarHBondContact O-CB 3.34Å; L212-E216 PolarHBondContact O-N 2.97Å; L212-L237 HydrophobicContact CB-CD2 4.08Å; L212-L237 HydrophobicContact CD2-CD2 3.59Å; L212-L237 HydrophobicContact CG-CD2 4.37Å
213R95.4Very high92.7Very high91 Ų9196.2 Ų96.234%0.34345%0.448SS..Hα-helixtrans-62.2-40.2175-177.456.8-178.9154.75.8112.7F209 K211 I215 E216 L217F209-R213 WeakPolarHBondContact O-CB 3.45Å; F209-R213 PolarHBondContact O-N 2.83Å; K211-R213 VanDerWaalsContact C-N 3.33Å; R213-I215 VanDerWaalsContact C-N 3.33Å; R213-E216 WeakPolarHBondContact CD-OE2 3.48Å; R213-E216 IonicContact CZ-OE2 3.65Å; R213-E216 IonicContact NE-OE2 3.82Å; R213-E216 IonicContact NH1-OE1 3.39Å; R213-E216 PolarHBondContact NH1-OE1 3.17Å; R213-E216 IonicContact NH1-OE2 2.71Å; R213-E216 PolarHBondContact NH1-OE2 3.33Å; R213-E216 WeakPolarHBondContact O-CB 3.38Å; R213-E216 PolarHBondContact O-N 3.18Å; R213-L217 WeakPolarHBondContact O-CG 3.46Å; R213-L217 PolarHBondContact O-N 3.4Å
214N96.4Very high91.6Very high97 Ų9794.1 Ų94.152%0.51946%0.463SS..Hα-helixtrans-64.2-39174.6-72.3-23.8000111.9G210 K211 L212 I218G210-N214 VanDerWaalsContact O-CG 3.24Å; G210-N214 PolarHBondContact O-N 3.39Å; G210-N214 PolarHBondContact O-ND2 3.12Å; K211-N214 PolarHBondContact O-N 2.89Å; L212-N214 PolarHBondContact O-N 3.25Å; N214-I218 VanDerWaalsContact O-CG1 3.31Å; N214-I218 WeakPolarHBondContact O-CG1 3.25Å; N214-I218 PolarHBondContact O-N 3.34Å
215I94.6Very high90.8Very high74 Ų7495.8 Ų95.838%0.37947%0.471SS..Hα-helixtrans-65.2-43.1175.5-66.1166.1000110.5K211 L212 R213 L217 I218 C219 I233 L237K211-I215 WeakPolarHBondContact O-CG1 3.37Å; K211-I215 PolarHBondContact O-N 3.2Å; L212-I215 WeakPolarHBondContact O-CB 3.44Å; L212-I215 PolarHBondContact O-N 2.97Å; L212-I215 VanDerWaalsContact O-N 3.16Å; R213-I215 VanDerWaalsContact C-N 3.33Å; I215-L217 PolarHBondContact O-N 3.01Å; I215-I218 PolarHBondContact O-N 3.2Å; I215-C219 PolarHBondContact O-N 3.5Å; I215-C219 PolarHBondContact O-SG 2.83Å; I215-I233 HydrophobicContact CG2-CG2 3.82Å; I215-L237 HydrophobicContact CG2-CD1 4.3Å
216E92.7Very high89.8Confident35 Ų3592.1 Ų92.116%0.16448%0.477CS..Hα-helixtrans-58.1-47176.5-169.3-173.1-174.200111.7L212 R213 I218 C219 Q220 L237 Y238L212-E216 WeakPolarHBondContact O-CB 3.34Å; L212-E216 PolarHBondContact O-N 2.97Å; R213-E216 WeakPolarHBondContact CD-OE2 3.48Å; R213-E216 IonicContact CZ-OE2 3.65Å; R213-E216 IonicContact NE-OE2 3.82Å; R213-E216 IonicContact NH1-OE1 3.39Å; R213-E216 PolarHBondContact NH1-OE1 3.17Å; R213-E216 IonicContact NH1-OE2 2.71Å; R213-E216 PolarHBondContact NH1-OE2 3.33Å; R213-E216 WeakPolarHBondContact O-CB 3.38Å; R213-E216 PolarHBondContact O-N 3.18Å; E216-I218 VanDerWaalsContact C-N 3.33Å; E216-I218 PolarHBondContact O-N 3.44Å; E216-C219 WeakPolarHBondContact O-CB 3.42Å; E216-C219 PolarHBondContact O-N 2.93Å; E216-C219 VanDerWaalsContact O-N 3.1Å; E216-Q220 WeakPolarHBondContact O-CG 3.28Å; E216-Q220 PolarHBondContact O-N 2.88Å; E216-L237 HydrophobicContact CB-CD1 3.96Å; E216-L237 HydrophobicContact CG-CD1 4.37Å; E216-Y238 PolarHBondContact OE1-OH 3.4Å
217L93.6Very high89.4Confident64 Ų6491.3 Ų91.334%0.33547%0.473SS..Hα-helixtrans-58.5-43.3175.8-73174.1000112.1R213 I215 C219 Q220 E221R213-L217 WeakPolarHBondContact O-CG 3.46Å; R213-L217 PolarHBondContact O-N 3.4Å; I215-L217 PolarHBondContact O-N 3.01Å; L217-C219 VanDerWaalsContact C-N 3.27Å; L217-C219 PolarHBondContact O-N 3.07Å; L217-Q220 PolarHBondContact O-N 3.21Å; L217-E221 WeakPolarHBondContact O-CG 3.48Å; L217-E221 PolarHBondContact O-N 3.44Å
218I92.8Very high89Confident90 Ų9090.6 Ų90.646%0.46248%0.479SS..Hα-helixtrans-62.5-36.8176.9-67.9165.2000111.3N214 I215 E216N214-I218 VanDerWaalsContact O-CG1 3.31Å; N214-I218 WeakPolarHBondContact O-CG1 3.25Å; N214-I218 PolarHBondContact O-N 3.34Å; I215-I218 PolarHBondContact O-N 3.2Å; E216-I218 VanDerWaalsContact C-N 3.33Å; E216-I218 PolarHBondContact O-N 3.44Å
219C90.8Very high88.7Confident6 Ų686.9 Ų86.94%0.04147%0.471CS..Hα-helixtrans-69-43.1177.6-62.70000111.3I215 E216 L217 K222 E223 V234I215-C219 PolarHBondContact O-N 3.5Å; I215-C219 PolarHBondContact O-SG 2.83Å; E216-C219 WeakPolarHBondContact O-CB 3.42Å; E216-C219 PolarHBondContact O-N 2.93Å; E216-C219 VanDerWaalsContact O-N 3.1Å; L217-C219 VanDerWaalsContact C-N 3.27Å; L217-C219 PolarHBondContact O-N 3.07Å; C219-K222 PolarHBondContact O-N 3.04Å; C219-E223 PolarHBondContact O-N 3.26Å; C219-E223 VanDerWaalsContact O-N 3.13Å; C219-V234 HydrophobicContact CB-CG2 3.98Å
220Q87.9Confident88.3Confident87 Ų8781.5 Ų81.541%0.40745%0.448SS..Hα-helixtrans-62.8-41.3177.7-70.8176.2-13.500112.4E216 L217 K222 E223E216-Q220 WeakPolarHBondContact O-CG 3.28Å; E216-Q220 PolarHBondContact O-N 2.88Å; L217-Q220 PolarHBondContact O-N 3.21Å; Q220-K222 PolarHBondContact O-N 2.82Å; Q220-E223 PolarHBondContact O-N 3.17Å
221E88.5Confident88Confident160 Ų16085 Ų8575%0.74846%0.457SS*.Hα-helixtrans-61.3-26.5177.1-75.4177179.900113.2L217L217-E221 WeakPolarHBondContact O-CG 3.48Å; L217-E221 PolarHBondContact O-N 3.44Å
222K84.3Confident87.6Confident95 Ų9587 Ų8741%0.41346%0.462SS..THydrogen-bonded Turntrans-109.15.8-174.7-65.7-170.8176.7-170.70114.6C219 Q220 G224 E225 L230C219-K222 PolarHBondContact O-N 3.04Å; Q220-K222 PolarHBondContact O-N 2.82Å; K222-G224 PolarHBondContact O-N 3.04Å; K222-G224 VanDerWaalsContact O-N 3.08Å; K222-E225 PolarHBondContact O-N 3.2Å; K222-L230 HydrophobicContact CB-CD1 3.54Å
223E76.1Confident87.4Confident142 Ų14285.6 Ų85.666%0.66445%0.454SS*.G310 helixtrans-58.6-27.3-173.9-163.5171.1-169.800113C219 Q220 E225C219-E223 PolarHBondContact O-N 3.26Å; C219-E223 VanDerWaalsContact O-N 3.13Å; Q220-E223 PolarHBondContact O-N 3.17Å; E223-E225 VanDerWaalsContact C-N 3.31Å; E223-E225 PolarHBondContact O-N 3.37Å
224G69.6Low87.1Confident85 Ų8583 Ų8388%0.87645%0.448SS*.G310 helixtrans-74.3-7.717700000116.3K222K222-G224 PolarHBondContact O-N 3.04Å; K222-G224 VanDerWaalsContact O-N 3.08Å
225E78.2Confident86.7Confident148 Ų14882.6 Ų82.669%0.69245%0.446SS*.G310 helixtrans-86.9-8.9-178-64.2-175.7-176.600113.3K222 E223 D227K222-E225 PolarHBondContact O-N 3.2Å; E223-E225 VanDerWaalsContact C-N 3.31Å; E223-E225 PolarHBondContact O-N 3.37Å; E225-D227 VanDerWaalsContact C-N 3.3Å; E225-D227 PolarHBondContact O-N 3.06Å
226G75.7Confident86.6Confident65 Ų6585.1 Ų85.167%0.6746%0.459SS*.  trans67.723.6175.500000114.8P228G226-P228 VanDerWaalsContact O-CD 3.28Å; G226-P228 WeakPolarHBondContact O-CD 3.22Å
227D85.6Confident86.5Confident70 Ų7085.8 Ų85.837%0.37446%0.463SS..  trans-74.3115.6178.8-178.60.1000111.2E225 T229 L230E225-D227 VanDerWaalsContact C-N 3.3Å; E225-D227 PolarHBondContact O-N 3.06Å; D227-T229 PolarHBondContact O-N 3.21Å; D227-T229 WeakPolarHBondContact OD1-CB 3.41Å; D227-T229 PolarHBondContact OD1-N 2.87Å; D227-T229 PolarHBondContact OD1-OG1 3.49Å; D227-L230 HydrophobicContact CB-CD1 4.04Å; D227-L230 HydrophobicContact CB-CG 4.02Å; D227-L230 PolarHBondContact O-N 3.03Å
228P87.3Confident86.3Confident96 Ų9689 Ų8962%0.62347%0.472SS*.Hα-helixtrans-59.9-18.9177.1-21.433.4000113.8G226 R232G226-P228 VanDerWaalsContact O-CD 3.28Å; G226-P228 WeakPolarHBondContact O-CD 3.22Å; P228-R232 WeakPolarHBondContact O-CG 3.46Å; P228-R232 PolarHBondContact O-N 3.45Å
229T88.9Confident86.1Confident57 Ų5788.1 Ų88.135%0.3548%0.478SS..Hα-helixtrans-71.8-36.7176.4-56.10000112.1D227 Q231 R232 I233D227-T229 PolarHBondContact O-N 3.21Å; D227-T229 WeakPolarHBondContact OD1-CB 3.41Å; D227-T229 PolarHBondContact OD1-N 2.87Å; D227-T229 PolarHBondContact OD1-OG1 3.49Å; T229-Q231 VanDerWaalsContact C-N 3.35Å; T229-R232 PolarHBondContact O-N 3.35Å; T229-R232 PolarHBondContact OG1-NH2 3.28Å; T229-I233 HydrophobicContact CG2-CD1 4.22Å; T229-I233 WeakPolarHBondContact O-CG1 3.14Å; T229-I233 PolarHBondContact O-N 3.24Å
230L88.9Confident85.7Confident25 Ų2592.1 Ų92.113%0.13150%0.503CS..Hα-helixtrans-64.8-42.2177.4-64.8176.6000110.8K222 D227 R232 I233 V234K222-L230 HydrophobicContact CB-CD1 3.54Å; D227-L230 HydrophobicContact CB-CD1 4.04Å; D227-L230 HydrophobicContact CB-CG 4.02Å; D227-L230 PolarHBondContact O-N 3.03Å; L230-R232 VanDerWaalsContact C-N 3.34Å; L230-R232 PolarHBondContact O-N 3.28Å; L230-I233 PolarHBondContact O-N 2.71Å; L230-I233 VanDerWaalsContact O-N 3.11Å; L230-V234 WeakPolarHBondContact O-CG2 3.48Å; L230-V234 PolarHBondContact O-N 3.09Å
231Q87.5Confident84.8Confident101 Ų10194.8 Ų94.847%0.47252%0.519SS..Hα-helixtrans-58.9-45.1176.7-171.160.252.900111.9T229 I233 V234 D235T229-Q231 VanDerWaalsContact C-N 3.35Å; Q231-I233 VanDerWaalsContact C-N 3.27Å; Q231-I233 PolarHBondContact O-N 3Å; Q231-V234 WeakPolarHBondContact O-CB 3.35Å; Q231-V234 PolarHBondContact O-N 3.16Å; Q231-D235 PolarHBondContact NE2-OD1 3.21Å; Q231-D235 PolarHBondContact O-N 3.06Å
232R89.9Confident83.1Confident151 Ų15197 Ų9757%0.5753%0.53SS*.Hα-helixtrans-62.5-33.6177.3-68.1-178-59.4161.92.8113.1P228 T229 L230 I236P228-R232 WeakPolarHBondContact O-CG 3.46Å; P228-R232 PolarHBondContact O-N 3.45Å; T229-R232 PolarHBondContact O-N 3.35Å; T229-R232 PolarHBondContact OG1-NH2 3.28Å; L230-R232 VanDerWaalsContact C-N 3.34Å; L230-R232 PolarHBondContact O-N 3.28Å; R232-I236 WeakPolarHBondContact O-CD1 3.4Å; R232-I236 VanDerWaalsContact O-CG1 3.28Å; R232-I236 WeakPolarHBondContact O-CG1 3.31Å; R232-I236 PolarHBondContact O-N 3.04Å
233I91.2Very high81.6Confident58 Ų5896.2 Ų96.230%0.29755%0.548SS..Hα-helixtrans-70.1-43.9177-67165.7000109.7I215 T229 L230 Q231 D235 I236 L237I215-I233 HydrophobicContact CG2-CG2 3.82Å; T229-I233 HydrophobicContact CG2-CD1 4.22Å; T229-I233 WeakPolarHBondContact O-CG1 3.14Å; T229-I233 PolarHBondContact O-N 3.24Å; L230-I233 PolarHBondContact O-N 2.71Å; L230-I233 VanDerWaalsContact O-N 3.11Å; Q231-I233 VanDerWaalsContact C-N 3.27Å; Q231-I233 PolarHBondContact O-N 3Å; I233-D235 PolarHBondContact O-N 2.55Å; I233-I236 PolarHBondContact O-N 3.39Å; I233-L237 HydrophobicContact CG2-CD1 4.26Å; I233-L237 HydrophobicContact CG2-CG 4.5Å; I233-L237 WeakPolarHBondContact O-CG 3.48Å; I233-L237 PolarHBondContact O-N 3.39Å
234V88.7Confident80.3Confident36 Ų3696.8 Ų96.822%0.21855%0.549CS..Hα-helixtrans-57.8-47174.61670000111C219 L230 Q231 I236 L237 Y238C219-V234 HydrophobicContact CB-CG2 3.98Å; L230-V234 WeakPolarHBondContact O-CG2 3.48Å; L230-V234 PolarHBondContact O-N 3.09Å; Q231-V234 WeakPolarHBondContact O-CB 3.35Å; Q231-V234 PolarHBondContact O-N 3.16Å; V234-I236 VanDerWaalsContact C-N 3.25Å; V234-I236 PolarHBondContact O-N 3.13Å; V234-L237 PolarHBondContact O-N 3.38Å; V234-Y238 HydrophobicContact CG1-CD2 3.7Å; V234-Y238 HydrophobicContact CG1-CE2 3.76Å; V234-Y238 VanDerWaalsContact O-CD2 3.25Å; V234-Y238 WeakPolarHBondContact O-CD2 3.45Å; V234-Y238 PolarHBondContact O-N 3.18Å
235D89.3Confident79.6Confident89 Ų8998.6 Ų98.648%0.47654%0.543SS..Hα-helixtrans-59.5-36.2178.2-61.7-17.2000112Q231 I233 A239Q231-D235 PolarHBondContact NE2-OD1 3.21Å; Q231-D235 PolarHBondContact O-N 3.06Å; I233-D235 PolarHBondContact O-N 2.55Å; D235-A239 WeakPolarHBondContact O-CB 3.4Å; D235-A239 PolarHBondContact O-N 3.38Å; D235-A239 VanDerWaalsContact O-N 3.08Å
236I91.5Very high78.5Confident128 Ų12896.3 Ų96.366%0.65653%0.534SS*.Hα-helixtrans-69.5-40.2174.9-68.1164.5000111.4R232 I233 V234 Y238 A239R232-I236 WeakPolarHBondContact O-CD1 3.4Å; R232-I236 VanDerWaalsContact O-CG1 3.28Å; R232-I236 WeakPolarHBondContact O-CG1 3.31Å; R232-I236 PolarHBondContact O-N 3.04Å; I233-I236 PolarHBondContact O-N 3.39Å; V234-I236 VanDerWaalsContact C-N 3.25Å; V234-I236 PolarHBondContact O-N 3.13Å; I236-Y238 VanDerWaalsContact C-N 3.32Å; I236-Y238 PolarHBondContact O-N 3.1Å; I236-A239 PolarHBondContact O-N 2.98Å
237L90.6Very high77.4Confident48 Ų4898.8 Ų98.825%0.25154%0.538SS..Hα-helixtrans-66.4-33.9-178.7-70.8175000112.6L212 I215 E216 I233 V234L212-L237 HydrophobicContact CB-CD2 4.08Å; L212-L237 HydrophobicContact CD2-CD2 3.59Å; L212-L237 HydrophobicContact CG-CD2 4.37Å; I215-L237 HydrophobicContact CG2-CD1 4.3Å; E216-L237 HydrophobicContact CB-CD1 3.96Å; E216-L237 HydrophobicContact CG-CD1 4.37Å; I233-L237 HydrophobicContact CG2-CD1 4.26Å; I233-L237 HydrophobicContact CG2-CG 4.5Å; I233-L237 WeakPolarHBondContact O-CG 3.48Å; I233-L237 PolarHBondContact O-N 3.39Å; V234-L237 PolarHBondContact O-N 3.38Å
238Y89.4Confident75.6Confident132 Ų132102.8 Ų102.852%0.51856%0.56SS.*THydrogen-bonded Turntrans-992.4179.4-64.4-70.3000114E216 V234 I236 T240E216-Y238 PolarHBondContact OE1-OH 3.4Å; V234-Y238 HydrophobicContact CG1-CD2 3.7Å; V234-Y238 HydrophobicContact CG1-CE2 3.76Å; V234-Y238 VanDerWaalsContact O-CD2 3.25Å; V234-Y238 WeakPolarHBondContact O-CD2 3.45Å; V234-Y238 PolarHBondContact O-N 3.18Å; I236-Y238 VanDerWaalsContact C-N 3.32Å; I236-Y238 PolarHBondContact O-N 3.1Å; Y238-T240 PolarHBondContact O-N 3.29Å
239A89.2Confident73.7Confident72 Ų72102 Ų10260%0.59556%0.561SS**PPolyproline II helixtrans-60.5125.1174.700000110D235 I236D235-A239 WeakPolarHBondContact O-CB 3.4Å; D235-A239 PolarHBondContact O-N 3.38Å; D235-A239 VanDerWaalsContact O-N 3.08Å; I236-A239 PolarHBondContact O-N 2.98Å
240T80.9Confident71.6Confident90 Ų90108.1 Ų108.155%0.55259%0.586SS**PPolyproline II helixtrans-99.3139171.651.40000109.5Y238 I246Y238-T240 PolarHBondContact O-N 3.29Å; T240-I246 HydrophobicContact CG2-CD1 4.21Å
241D69.7Low69.4Low142 Ų142112.1 Ų112.176%0.75962%0.616SS**PPolyproline II helixtrans-69.6143.7166.2-102.5-36.1000109.4G243 F244D241-G243 PolarHBondContact O-N 2.97Å; D241-F244 PolarHBondContact O-N 3.02Å
242E52.8Low67Low208 Ų208116.6 Ų116.697%0.97264%0.637SS**THydrogen-bonded Turntrans-56.7100.2176.7-71.9-166.7174.500110.2
243G53.4Low64.5Low77 Ų77117 Ų11779%0.79465%0.65SS**THydrogen-bonded Turntrans124-4.4-178.600000115.8D241 V245D241-G243 PolarHBondContact O-N 2.97Å; G243-V245 PolarHBondContact O-N 3.35Å
244F47.9Very low62.3Low155 Ų155122.8 Ų122.868%0.6868%0.676SS**  trans-89.2102.8174.5-136.4-93.5000110.8D241D241-F244 PolarHBondContact O-N 3.02Å
245V55.9Low59.7Low123 Ų123130.5 Ų130.575%0.74571%0.709SS**  trans-87.8117.9172.3-174.40000108.3G243 P247G243-V245 PolarHBondContact O-N 3.35Å; V245-P247 VanDerWaalsContact O-CD 3.28Å; V245-P247 WeakPolarHBondContact O-CD 3.42Å
246I54.9Low57.2Low99 Ų99134.8 Ų134.851%0.50873%0.727SS.*  trans-72.5115.9171.4-59172.9000107.1T240 D248 A249T240-I246 HydrophobicContact CG2-CD1 4.21Å; I246-D248 PolarHBondContact O-N 3.42Å; I246-A249 HydrophobicContact CB-CB 4.47Å; I246-A249 HydrophobicContact CG2-CB 4.49Å
247P51.7Low54.7Low117 Ų117142.1 Ų142.176%0.7675%0.754SS**THydrogen-bonded Turntrans-69.4-2.3-173.4-20.533.7000116V245V245-P247 VanDerWaalsContact O-CD 3.28Å; V245-P247 WeakPolarHBondContact O-CD 3.42Å
248D48.3Very low52.9Low154 Ų154146.9 Ų146.982%0.82478%0.78SS**THydrogen-bonded Turntrans-125.219.6-174.8-64.9-38.5000113.8I246I246-D248 PolarHBondContact O-N 3.42Å
249A46.4Very low50.9Low79 Ų79147.6 Ų147.665%0.65379%0.793SS**  trans-96.221.4175.600000113.8I246I246-A249 HydrophobicContact CB-CB 4.47Å; I246-A249 HydrophobicContact CG2-CB 4.49Å
250E44.7Very low48.8Very low186 Ų186151.8 Ų151.887%0.86980%0.804SS**  trans-118.993.5168-75.2-172.6174.700109.8
251S43.5Very low46.9Very low110 Ų110155.5 Ų155.577%0.76982%0.819SS**  trans157.772.5131.267.20000112
252E37.4Very low45.5Very low195 Ų195156.3 Ų156.391%0.91182%0.823SS**  trans-126.558.6142.7-74.1-168.1173.900107.2H254E252-H254 PolarHBondContact O-N 3.2Å
253D37.9Very low45Very low158 Ų158152.9 Ų152.985%0.84581%0.813SS**  trans-69.5121.9160.2-93.1-31.5000107.8E255D253-E255 PolarHBondContact O-N 3.08Å; D253-E255 VanDerWaalsContact O-N 3.09Å
254H43.3Very low44.4Very low180 Ų180158.3 Ų158.383%0.83381%0.814SS**  trans-44.3108.2164-71-94.9000111.2E252E252-H254 PolarHBondContact O-N 3.2Å
255E35.7Very low44.2Very low198 Ų198158.5 Ų158.593%0.92583%0.825SS**  trans-96.689.4152.2-82-166.3165.500108.8D253D253-E255 PolarHBondContact O-N 3.08Å; D253-E255 VanDerWaalsContact O-N 3.09Å
256E36.2Very low43.2Very low180 Ų180161.5 Ų161.584%0.84183%0.831SS**  trans-80.4113.7157-166178.7-144.400107.7
257F38.3Very low42.1Very low282 Ų282167.2 Ų167.2100%1.23786%0.861SS**  trans-152.70150.1-105-75000110.7

Retrieved 257 of 257 residues in 1911.6 ms (Link to these results)

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