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NADH-ubiquinone oxidoreductase chain 4

Core subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I) which catalyzes electron transfer from NADH through the respiratory chain, using ubiquinone as an electron acceptor. Essential for the catalytic activity and assembly of complex I.

AlphaFold DB (P03905), UniProt , Accession A0A059QW16, Species HUMAN (Homo sapiens, Human), Gene ND4, Length 459 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
1M89.6Confident95.1Very high10 Ų1050 Ų505%0.04926%0.26CS..  0-21.30-56.8-44.8-87.300115.4K3 L4 I5 F41 F56 L66 T111M1-K3 PolarHBondContact O-N 3.2Å; M1-K3 VanDerWaalsContact O-N 3.13Å; M1-L4 PolarHBondContact O-N 2.78Å; M1-I5 HydrophobicContact CB-CD1 3.94Å; M1-I5 PolarHBondContact O-N 3.21Å; M1-I5 VanDerWaalsContact O-N 3.13Å; M1-F41 HydrophobicContact CE-CD2 4.24Å; M1-F41 HydrophobicContact CE-CE1 4.23Å; M1-F41 HydrophobicContact CE-CE2 3.68Å; M1-F41 HydrophobicContact CE-CZ 3.65Å; M1-F41 HydrophobicContact SD-CD1 4.3Å; M1-F41 HydrophobicContact SD-CE1 3.46Å; M1-F41 WeakPolarHBondContact SD-CE1 3.26Å; M1-F41 HydrophobicContact SD-CE2 3.94Å; M1-F41 HydrophobicContact SD-CZ 3.24Å; M1-F41 WeakPolarHBondContact SD-CZ 3.36Å; M1-F56 HydrophobicContact CB-CB 3.77Å; M1-F56 HydrophobicContact CB-CD1 4.49Å; M1-F56 HydrophobicContact CB-CD2 4.31Å; M1-F56 HydrophobicContact CB-CG 3.94Å; M1-F56 HydrophobicContact CG-CB 3.55Å; M1-F56 HydrophobicContact CG-CG 4.22Å; M1-L66 HydrophobicContact CE-CD1 3.49Å; M1-L66 VanDerWaalsContact CE-CD1 3.49Å; M1-L66 HydrophobicContact CE-CD2 4.44Å; M1-T111 HydrophobicContact CB-CG2 4.38Å; M1-T111 HydrophobicContact CE-CG2 3.2Å; M1-T111 HydrophobicContact CG-CG2 3.63Å; M1-T111 HydrophobicContact SD-CG2 4.11Å
2L92.6Very high95.3Very high110 Ų11050 Ų5058%0.57626%0.26SS*.Hα-helixtrans-53.2-34.6177.7-71.2170.3000114.4L4 I5 V6L2-L4 PolarHBondContact O-N 3.28Å; L2-I5 HydrophobicContact CD2-CD1 4.4Å; L2-I5 PolarHBondContact O-N 3.22Å; L2-V6 WeakPolarHBondContact O-CB 3.26Å; L2-V6 WeakPolarHBondContact O-CG2 3.32Å; L2-V6 PolarHBondContact O-N 3.1Å
3K92.9Very high95.5Very high101 Ų10150.5 Ų50.544%0.43927%0.268SS..Hα-helixtrans-55.1-22.8174.366.7176.2178.7178.10114.7M1 P7 I37 F41M1-K3 PolarHBondContact O-N 3.2Å; M1-K3 VanDerWaalsContact O-N 3.13Å; K3-P7 WeakPolarHBondContact O-CD 3.49Å; K3-P7 VanDerWaalsContact O-CG 3.23Å; K3-P7 WeakPolarHBondContact O-CG 3.31Å; K3-I37 HydrophobicContact CG-CG2 4.46Å; K3-F41 HydrophobicContact CD-CZ 4.26Å; K3-F41 HydrophobicContact CG-CZ 4.31Å
4L93.9Very high95.6Very high0 Ų049.5 Ų49.50%026%0.263CS..Hα-helixtrans-105.6-36.9179.1177.5163.8000110.7M1 L2 P7 T8 I37 P38 F41 T70 I107M1-L4 PolarHBondContact O-N 2.78Å; L2-L4 PolarHBondContact O-N 3.28Å; L4-P7 WeakPolarHBondContact O-CD 3.29Å; L4-T8 WeakPolarHBondContact O-CG2 3.21Å; L4-T8 PolarHBondContact O-N 3.06Å; L4-T8 PolarHBondContact O-OG1 3.31Å; L4-I37 HydrophobicContact CB-CG2 4.26Å; L4-P38 HydrophobicContact CD1-CB 4Å; L4-P38 HydrophobicContact CD1-CG 3.84Å; L4-F41 HydrophobicContact CD1-CE2 4.04Å; L4-T70 HydrophobicContact CD1-CG2 4.14Å; L4-T70 HydrophobicContact CD2-CG2 4.39Å; L4-T70 HydrophobicContact CG-CG2 4.47Å; L4-I107 HydrophobicContact CD2-CB 4.05Å; L4-I107 HydrophobicContact CD2-CD1 3.47Å; L4-I107 VanDerWaalsContact CD2-CD1 3.47Å; L4-I107 HydrophobicContact CD2-CG1 3.78Å; L4-I107 HydrophobicContact CD2-CG2 3.17Å
5I95Very high95.7Very high9 Ų946.2 Ų46.25%0.04625%0.245CC..Hα-helixtrans-64.1-47.8177-61.3155.3000111.8M1 L2 T8 I9 F56 I107 M108M1-I5 HydrophobicContact CB-CD1 3.94Å; M1-I5 PolarHBondContact O-N 3.21Å; M1-I5 VanDerWaalsContact O-N 3.13Å; L2-I5 HydrophobicContact CD2-CD1 4.4Å; L2-I5 PolarHBondContact O-N 3.22Å; I5-T8 WeakPolarHBondContact CA-OG1 3.41Å; I5-T8 PolarHBondContact O-N 3.17Å; I5-T8 VanDerWaalsContact O-N 3.13Å; I5-T8 PolarHBondContact O-OG1 2.99Å; I5-I9 HydrophobicContact CG2-CD1 3.69Å; I5-I9 HydrophobicContact CG2-CG1 4.28Å; I5-I9 WeakPolarHBondContact O-CG1 3.33Å; I5-I9 PolarHBondContact O-N 3.41Å; I5-F56 HydrophobicContact CD1-CD2 4.44Å; I5-F56 HydrophobicContact CD1-CE1 4.41Å; I5-F56 HydrophobicContact CD1-CE2 4.08Å; I5-F56 HydrophobicContact CD1-CZ 4.1Å; I5-I107 HydrophobicContact CG1-CG2 3.98Å; I5-M108 HydrophobicContact CD1-CE 4.44Å; I5-M108 HydrophobicContact CD1-SD 3.21Å; I5-M108 WeakPolarHBondContact CD1-SD 3.29Å; I5-M108 HydrophobicContact CG1-SD 3.61Å; I5-M108 HydrophobicContact CG2-SD 4.17Å
6V96.5Very high95.8Very high80 Ų8050.8 Ų50.849%0.48526%0.258SS..Hα-helixtrans-60.9-49.2-176.3173.20000111.7L2 T8 I9 M10L2-V6 WeakPolarHBondContact O-CB 3.26Å; L2-V6 WeakPolarHBondContact O-CG2 3.32Å; L2-V6 PolarHBondContact O-N 3.1Å; V6-T8 VanDerWaalsContact C-N 3.3Å; V6-T8 PolarHBondContact O-N 3.48Å; V6-I9 PolarHBondContact O-N 3.42Å; V6-M10 HydrophobicContact CG1-CG 4.45Å; V6-M10 VanDerWaalsContact O-CG 3.32Å; V6-M10 WeakPolarHBondContact O-CG 3.39Å; V6-M10 PolarHBondContact O-N 3.05Å
7P96.8Very high95.9Very high41 Ų4156.6 Ų56.627%0.26629%0.289SS..Hα-helixtrans-56.7-39.6172.9-2937000114K3 L4 M10 L11 I34 I37K3-P7 WeakPolarHBondContact O-CD 3.49Å; K3-P7 VanDerWaalsContact O-CG 3.23Å; K3-P7 WeakPolarHBondContact O-CG 3.31Å; L4-P7 WeakPolarHBondContact O-CD 3.29Å; P7-M10 PolarHBondContact O-N 3.49Å; P7-L11 PolarHBondContact O-N 3.37Å; P7-I34 HydrophobicContact CB-CD1 3.87Å; P7-I34 HydrophobicContact CB-CG1 3.76Å; P7-I37 HydrophobicContact CG-CD1 4.22Å
8T96.6Very high95.9Very high0 Ų054.1 Ų54.10%028%0.277CS..Hα-helixtrans-65.9-38.4177.556.70000112.7L4 I5 V6 M10 L11 I34 I100 Q103 I107L4-T8 WeakPolarHBondContact O-CG2 3.21Å; L4-T8 PolarHBondContact O-N 3.06Å; L4-T8 PolarHBondContact O-OG1 3.31Å; I5-T8 WeakPolarHBondContact CA-OG1 3.41Å; I5-T8 PolarHBondContact O-N 3.17Å; I5-T8 VanDerWaalsContact O-N 3.13Å; I5-T8 PolarHBondContact O-OG1 2.99Å; V6-T8 VanDerWaalsContact C-N 3.3Å; V6-T8 PolarHBondContact O-N 3.48Å; T8-M10 VanDerWaalsContact C-N 3.32Å; T8-M10 PolarHBondContact O-N 3.27Å; T8-L11 WeakPolarHBondContact O-CB 3.28Å; T8-L11 PolarHBondContact O-N 3.03Å; T8-I34 HydrophobicContact CG2-CD1 4.25Å; T8-I34 HydrophobicContact CG2-CG2 3.75Å; T8-I100 WeakPolarHBondContact O-CG2 3.43Å; T8-Q103 HydrophobicContact CG2-CG 4.42Å; T8-I107 HydrophobicContact CG2-CD1 3.8Å
9I97.3Very high95.9Very high76 Ų7660.2 Ų60.239%0.3930%0.302SS..Hα-helixtrans-63.8-40.5173-66.1168.5000110.3I5 V6 L11 L12 P13 I104I5-I9 HydrophobicContact CG2-CD1 3.69Å; I5-I9 HydrophobicContact CG2-CG1 4.28Å; I5-I9 WeakPolarHBondContact O-CG1 3.33Å; I5-I9 PolarHBondContact O-N 3.41Å; V6-I9 PolarHBondContact O-N 3.42Å; I9-L11 PolarHBondContact O-N 3.27Å; I9-L12 WeakPolarHBondContact O-CB 3.22Å; I9-L12 PolarHBondContact O-N 2.84Å; I9-P13 VanDerWaalsContact O-CD 3.25Å; I9-P13 WeakPolarHBondContact O-CD 3.43Å; I9-I104 HydrophobicContact CG1-CD1 3.89Å; I9-I104 HydrophobicContact CG1-CG1 4.32Å; I9-I104 HydrophobicContact CG1-CG2 4.5Å
10M97.6Very high95.8Very high120 Ų12064 Ų6459%0.59132%0.316SS*.Hα-helixtrans-66.4-14178.4-66.5-63.1-104.800113.8V6 P7 T8 L12 P13 L14V6-M10 HydrophobicContact CG1-CG 4.45Å; V6-M10 VanDerWaalsContact O-CG 3.32Å; V6-M10 WeakPolarHBondContact O-CG 3.39Å; V6-M10 PolarHBondContact O-N 3.05Å; P7-M10 PolarHBondContact O-N 3.49Å; T8-M10 VanDerWaalsContact C-N 3.32Å; T8-M10 PolarHBondContact O-N 3.27Å; M10-L12 VanDerWaalsContact C-N 3.26Å; M10-L12 PolarHBondContact O-N 3.09Å; M10-P13 WeakPolarHBondContact O-CD 3.19Å; M10-P13 WeakPolarHBondContact O-CG 3.41Å; M10-P13 HydrophobicContact SD-CG 4.27Å; M10-L14 WeakPolarHBondContact O-CB 3.47Å; M10-L14 PolarHBondContact O-N 3.31Å
11L97.7Very high95.6Very high3 Ų368.3 Ų68.32%0.01634%0.335CS..Hα-helixtrans-65.1-29.9168-65.8177.9000112.1P7 T8 I9 L14 T15 H30 I34 L73 I100P7-L11 PolarHBondContact O-N 3.37Å; T8-L11 WeakPolarHBondContact O-CB 3.28Å; T8-L11 PolarHBondContact O-N 3.03Å; I9-L11 PolarHBondContact O-N 3.27Å; L11-L14 WeakPolarHBondContact O-CB 3.11Å; L11-L14 PolarHBondContact O-N 3.37Å; L11-T15 WeakPolarHBondContact O-CG2 3.31Å; L11-T15 PolarHBondContact O-N 3.06Å; L11-H30 HydrophobicContact CD2-CB 3.66Å; L11-I34 HydrophobicContact CD1-CD1 3.69Å; L11-I34 HydrophobicContact CD2-CD1 3.93Å; L11-I34 HydrophobicContact CG-CD1 3.71Å; L11-L73 HydrophobicContact CD1-CD2 4.17Å; L11-I100 HydrophobicContact CB-CD1 3.66Å; L11-I100 HydrophobicContact CB-CG1 4.06Å; L11-I100 HydrophobicContact CB-CG2 3.95Å; L11-I100 HydrophobicContact CD1-CG1 4.21Å
12L97.6Very high95.9Very high50 Ų5072.1 Ų72.126%0.26235%0.354SS..Hα-helixtrans-60-61.4177.6-66.6172.7000111.7I9 M10 L14 T15 W16 I100 I104I9-L12 WeakPolarHBondContact O-CB 3.22Å; I9-L12 PolarHBondContact O-N 2.84Å; M10-L12 VanDerWaalsContact C-N 3.26Å; M10-L12 PolarHBondContact O-N 3.09Å; L12-L14 PolarHBondContact O-N 2.86Å; L12-T15 PolarHBondContact O-N 2.89Å; L12-T15 PolarHBondContact O-OG1 2.97Å; L12-W16 VanDerWaalsContact O-CD1 3.24Å; L12-W16 PolarHBondContact O-N 3.5Å; L12-I100 HydrophobicContact CD2-CB 4.01Å; L12-I100 HydrophobicContact CD2-CG2 3.75Å; L12-I100 HydrophobicContact CG-CG2 3.83Å; L12-I104 HydrophobicContact CD1-CD1 4.3Å
13P97.3Very high96.1Very high56 Ų5667 Ų6736%0.36433%0.327SS..Hα-helixtrans-59-34177.423.2-32.4000111.8I9 M10 T15 W16 L17I9-P13 VanDerWaalsContact O-CD 3.25Å; I9-P13 WeakPolarHBondContact O-CD 3.43Å; M10-P13 WeakPolarHBondContact O-CD 3.19Å; M10-P13 WeakPolarHBondContact O-CG 3.41Å; M10-P13 HydrophobicContact SD-CG 4.27Å; P13-T15 PolarHBondContact O-N 3.3Å; P13-W16 PolarHBondContact O-N 2.88Å; P13-L17 HydrophobicContact CB-CD1 4.35Å; P13-L17 VanDerWaalsContact O-CB 3.28Å; P13-L17 WeakPolarHBondContact O-CB 3.36Å; P13-L17 VanDerWaalsContact O-CG 3.27Å; P13-L17 WeakPolarHBondContact O-CG 3.42Å; P13-L17 PolarHBondContact O-N 3.08Å
14L97.4Very high96.2Very high37 Ų3763.9 Ų63.919%0.19431%0.313CS..Hα-helixtrans-59.7-42.2174.6-176.8150.3000112.8M10 L11 L12 W16 S18 N26 T27 H30M10-L14 WeakPolarHBondContact O-CB 3.47Å; M10-L14 PolarHBondContact O-N 3.31Å; L11-L14 WeakPolarHBondContact O-CB 3.11Å; L11-L14 PolarHBondContact O-N 3.37Å; L12-L14 PolarHBondContact O-N 2.86Å; L14-W16 VanDerWaalsContact C-N 3.35Å; L14-S18 WeakPolarHBondContact O-CB 3.39Å; L14-S18 PolarHBondContact O-N 3.49Å; L14-S18 VanDerWaalsContact O-N 3.09Å; L14-S18 PolarHBondContact O-OG 2.84Å; L14-N26 HydrophobicContact CD2-CB 3.79Å; L14-N26 HydrophobicContact CG-CB 4.48Å; L14-T27 HydrophobicContact CD2-CG2 3.71Å; L14-H30 HydrophobicContact CD1-CB 4.15Å; L14-H30 WeakPolarHBondContact CD1-CD2 3.45Å
15T97.2Very high96.4Very high0 Ų068.2 Ų68.20%034%0.335CS..Hα-helixtrans-65.8-38.1176.568.50000112.3L11 L12 P13 S18 T27 K93 L96 I100L11-T15 WeakPolarHBondContact O-CG2 3.31Å; L11-T15 PolarHBondContact O-N 3.06Å; L12-T15 PolarHBondContact O-N 2.89Å; L12-T15 PolarHBondContact O-OG1 2.97Å; P13-T15 PolarHBondContact O-N 3.3Å; T15-S18 PolarHBondContact O-OG 3.2Å; T15-S18 VanDerWaalsContact O-OG 3.07Å; T15-T27 HydrophobicContact CG2-CG2 3.38Å; T15-K93 VanDerWaalsContact O-CE 3.26Å; T15-K93 WeakPolarHBondContact O-CE 3.47Å; T15-L96 HydrophobicContact CG2-CB 4.26Å; T15-I100 HydrophobicContact CG2-CD1 3.26Å
16W97.4Very high96.5Very high119 Ų11970.2 Ų70.245%0.45135%0.346SS..Hα-helixtrans-80.2-34.2-175.8-74.899.4000112.6L12 P13 L14 K93 L94L12-W16 VanDerWaalsContact O-CD1 3.24Å; L12-W16 PolarHBondContact O-N 3.5Å; P13-W16 PolarHBondContact O-N 2.88Å; L14-W16 VanDerWaalsContact C-N 3.35Å; W16-K93 HydrophobicContact CD2-CB 4.45Å; W16-K93 HydrophobicContact CD2-CD 4.5Å; W16-K93 HydrophobicContact CE3-CB 4.35Å; W16-K93 HydrophobicContact CE3-CD 4.03Å; W16-K93 HydrophobicContact CH2-CB 4.4Å; W16-K93 HydrophobicContact CZ2-CB 4.47Å; W16-K93 HydrophobicContact CZ3-CB 4.33Å; W16-K93 HydrophobicContact CZ3-CD 4.46Å; W16-K93 PolarHBondContact O-NZ 3.25Å; W16-L94 HydrophobicContact CH2-CD2 3.93Å; W16-L94 HydrophobicContact CH2-CG 4.1Å; W16-L94 HydrophobicContact CZ2-CD2 3.83Å; W16-L94 HydrophobicContact CZ2-CG 4.28Å
17L96.8Very high96.5Very high150 Ų15066.5 Ų66.579%0.78532%0.323SS*.Hα-helixtrans-88.2-15.8-179.5-63174000113.9P13P13-L17 HydrophobicContact CB-CD1 4.35Å; P13-L17 VanDerWaalsContact O-CB 3.28Å; P13-L17 WeakPolarHBondContact O-CB 3.36Å; P13-L17 VanDerWaalsContact O-CG 3.27Å; P13-L17 WeakPolarHBondContact O-CG 3.42Å; P13-L17 PolarHBondContact O-N 3.08Å
18S96.6Very high96.6Very high11 Ų1165.2 Ų65.28%0.07732%0.315CS..SBendtrans-68.1143.4179.248.10000113.4L14 T15 I23 K93L14-S18 WeakPolarHBondContact O-CB 3.39Å; L14-S18 PolarHBondContact O-N 3.49Å; L14-S18 VanDerWaalsContact O-N 3.09Å; L14-S18 PolarHBondContact O-OG 2.84Å; T15-S18 PolarHBondContact O-OG 3.2Å; T15-S18 VanDerWaalsContact O-OG 3.07Å; S18-I23 VanDerWaalsContact OG-CG1 3.27Å; S18-I23 WeakPolarHBondContact OG-CG1 3.25Å; S18-K93 PolarHBondContact O-NZ 3.13Å
19K95.4Very high96.6Very high171 Ų17168.1 Ų68.174%0.74333%0.332SS*.  trans-62.2147.9173.8-65.2-179.7-179177.30110.3H21 M22 I23K19-H21 VanDerWaalsContact C-N 3.26Å; K19-H21 PolarHBondContact O-N 2.87Å; K19-M22 HydrophobicContact CB-CB 4.47Å; K19-M22 HydrophobicContact CB-CG 4.49Å; K19-M22 PolarHBondContact O-N 3.48Å; K19-I23 WeakPolarHBondContact O-CG1 3.45Å; K19-I23 PolarHBondContact O-N 3.46Å
20K93.1Very high96.6Very high135 Ų13568.4 Ų68.459%0.58733%0.332SS*.THydrogen-bonded Turntrans-43.7-44.5-176.1-179.8177.3178.5-173.40115L89K20-L89 HydrophobicContact CB-CD1 4.22Å; K20-L89 HydrophobicContact CB-CD2 4.29Å; K20-L89 HydrophobicContact CG-CD1 3.87Å; K20-L89 HydrophobicContact CG-CD2 4.42Å
21H93.1Very high96.6Very high156 Ų15662.7 Ų62.772%0.72230%0.304SS*.THydrogen-bonded Turntrans-79.9-23.5-178.3-60.2-77.5000113.7K19K19-H21 VanDerWaalsContact C-N 3.26Å; K19-H21 PolarHBondContact O-N 2.87Å
22M95.5Very high96.5Very high89 Ų8964.8 Ų64.844%0.43832%0.315SS..THydrogen-bonded Turntrans-95.5-9.1-174.2-64.9-59.6-172.800113.8K19 W24 I25 N26K19-M22 HydrophobicContact CB-CB 4.47Å; K19-M22 HydrophobicContact CB-CG 4.49Å; K19-M22 PolarHBondContact O-N 3.48Å; M22-W24 VanDerWaalsContact C-N 3.32Å; M22-W24 PolarHBondContact O-N 3.48Å; M22-I25 PolarHBondContact O-N 2.69Å; M22-I25 HydrophobicContact SD-CD1 4.05Å; M22-N26 WeakPolarHBondContact O-CB 3.13Å; M22-N26 VanDerWaalsContact O-CG 3.3Å; M22-N26 PolarHBondContact O-N 3.29Å
23I96.3Very high96.5Very high2 Ų267.2 Ų67.21%0.0133%0.327CS..Hα-helixtrans-52.7-50.2-177-68.6159.9000111.3S18 K19 T27 L89 K93 L96S18-I23 VanDerWaalsContact OG-CG1 3.27Å; S18-I23 WeakPolarHBondContact OG-CG1 3.25Å; K19-I23 WeakPolarHBondContact O-CG1 3.45Å; K19-I23 PolarHBondContact O-N 3.46Å; I23-T27 WeakPolarHBondContact O-CB 3.18Å; I23-T27 WeakPolarHBondContact O-CG2 3.44Å; I23-T27 PolarHBondContact O-N 3.26Å; I23-T27 VanDerWaalsContact O-N 3.11Å; I23-T27 PolarHBondContact O-OG1 3.13Å; I23-L89 HydrophobicContact CD1-CD1 3.26Å; I23-L89 HydrophobicContact CD1-CG 4.31Å; I23-K93 HydrophobicContact CD1-CD 4.43Å; I23-K93 VanDerWaalsContact CD1-CE 3.45Å; I23-K93 HydrophobicContact CD1-CG 4.1Å; I23-L96 HydrophobicContact CG2-CD1 3.27Å
24W95.9Very high96.4Very high37 Ų3764.9 Ų64.914%0.1431%0.311CS..Hα-helixtrans-70.3-40.3-178.1-63.3111.2000112.9M22 T27 T28 I77 Q81 L84 K92 L96M22-W24 VanDerWaalsContact C-N 3.32Å; M22-W24 PolarHBondContact O-N 3.48Å; W24-T27 PolarHBondContact O-OG1 2.97Å; W24-T28 WeakPolarHBondContact O-CB 3.44Å; W24-T28 VanDerWaalsContact O-CG2 3.24Å; W24-T28 WeakPolarHBondContact O-CG2 3.41Å; W24-T28 PolarHBondContact O-N 3.43Å; W24-T28 PolarHBondContact O-OG1 3.06Å; W24-I77 HydrophobicContact CE3-CG2 3.49Å; W24-I77 VanDerWaalsContact CE3-CG2 3.49Å; W24-I77 HydrophobicContact CZ3-CG2 3.8Å; W24-Q81 HydrophobicContact CB-CG 4.2Å; W24-Q81 HydrophobicContact CD2-CG 3.38Å; W24-Q81 HydrophobicContact CE3-CB 4.47Å; W24-Q81 HydrophobicContact CE3-CG 3.23Å; W24-Q81 HydrophobicContact CG-CG 3.81Å; W24-Q81 HydrophobicContact CH2-CG 4.24Å; W24-Q81 HydrophobicContact CZ2-CG 4.37Å; W24-Q81 HydrophobicContact CZ3-CG 3.67Å; W24-L84 HydrophobicContact CH2-CB 4.4Å; W24-L84 HydrophobicContact CH2-CD1 3.69Å; W24-L84 HydrophobicContact CZ2-CB 4.2Å; W24-L84 HydrophobicContact CZ2-CD1 4.26Å; W24-K92 HydrophobicContact CZ2-CG 4.37Å; W24-L96 HydrophobicContact CE3-CD1 4.2Å; W24-L96 HydrophobicContact CE3-CD2 4.08Å; W24-L96 HydrophobicContact CH2-CD1 4.43Å; W24-L96 HydrophobicContact CH2-CD2 4.23Å; W24-L96 HydrophobicContact CH2-CG 4.33Å; W24-L96 HydrophobicContact CZ3-CD1 4.18Å; W24-L96 HydrophobicContact CZ3-CD2 3.59Å; W24-L96 HydrophobicContact CZ3-CG 4.12Å
25I96.8Very high96.4Very high91 Ų9163.2 Ų63.247%0.46730%0.303SS..Hα-helixtrans-66.4-53.1-179.6-61.6172.5000109.4M22 T27 T28 T29M22-I25 PolarHBondContact O-N 2.69Å; M22-I25 HydrophobicContact SD-CD1 4.05Å; I25-T27 PolarHBondContact O-N 2.94Å; I25-T28 PolarHBondContact O-N 3.49Å; I25-T28 PolarHBondContact O-OG1 3.29Å; I25-T29 HydrophobicContact CG2-CG2 4.28Å; I25-T29 VanDerWaalsContact O-CG2 3.3Å; I25-T29 WeakPolarHBondContact O-CG2 3.34Å; I25-T29 PolarHBondContact O-N 3.31Å; I25-T29 PolarHBondContact O-OG1 3.3Å; I25-T29 VanDerWaalsContact O-OG1 3.12Å
26N97.6Very high96.2Very high51 Ų5168.2 Ų68.227%0.27333%0.328SS..Hα-helixtrans-63.8-41.6-177.5-63.4-1.6000111.5L14 M22 T29 H30L14-N26 HydrophobicContact CD2-CB 3.79Å; L14-N26 HydrophobicContact CG-CB 4.48Å; M22-N26 WeakPolarHBondContact O-CB 3.13Å; M22-N26 VanDerWaalsContact O-CG 3.3Å; M22-N26 PolarHBondContact O-N 3.29Å; N26-T29 WeakPolarHBondContact CA-OG1 3.26Å; N26-T29 PolarHBondContact O-OG1 3.23Å; N26-T29 VanDerWaalsContact O-OG1 3.08Å; N26-H30 WeakPolarHBondContact O-CB 3.45Å; N26-H30 PolarHBondContact O-CD2 2.77Å; N26-H30 PolarHBondContact O-N 3.48Å
27T97.4Very high96Very high1 Ų164.4 Ų64.41%0.00632%0.316CS..Hα-helixtrans-67.4-39.5179.251.80000112.5L14 T15 I23 W24 I25 S31 L96L14-T27 HydrophobicContact CD2-CG2 3.71Å; T15-T27 HydrophobicContact CG2-CG2 3.38Å; I23-T27 WeakPolarHBondContact O-CB 3.18Å; I23-T27 WeakPolarHBondContact O-CG2 3.44Å; I23-T27 PolarHBondContact O-N 3.26Å; I23-T27 VanDerWaalsContact O-N 3.11Å; I23-T27 PolarHBondContact O-OG1 3.13Å; W24-T27 PolarHBondContact O-OG1 2.97Å; I25-T27 PolarHBondContact O-N 2.94Å; T27-S31 WeakPolarHBondContact O-CB 3.43Å; T27-S31 PolarHBondContact O-N 2.91Å; T27-S31 VanDerWaalsContact O-N 3.1Å; T27-S31 PolarHBondContact O-OG 3.37Å; T27-L96 HydrophobicContact CG2-CD1 4.39Å
28T97.4Very high95.7Very high15 Ų1557.3 Ų57.39%0.09228%0.279CS..Hα-helixtrans-66.9-44.5174.6510000112.4W24 I25 S31 L32 I77 M78W24-T28 WeakPolarHBondContact O-CB 3.44Å; W24-T28 VanDerWaalsContact O-CG2 3.24Å; W24-T28 WeakPolarHBondContact O-CG2 3.41Å; W24-T28 PolarHBondContact O-N 3.43Å; W24-T28 PolarHBondContact O-OG1 3.06Å; I25-T28 PolarHBondContact O-N 3.49Å; I25-T28 PolarHBondContact O-OG1 3.29Å; T28-S31 WeakPolarHBondContact CA-OG 3.37Å; T28-S31 PolarHBondContact O-OG 2.8Å; T28-L32 WeakPolarHBondContact O-CB 3.31Å; T28-L32 VanDerWaalsContact O-CG 3.31Å; T28-L32 WeakPolarHBondContact O-CG 3.39Å; T28-L32 PolarHBondContact O-N 3.24Å; T28-I77 HydrophobicContact CG2-CB 3.87Å; T28-I77 HydrophobicContact CG2-CG2 3.37Å; T28-M78 HydrophobicContact CG2-CG 4.07Å
29T96.8Very high95.4Very high60 Ų6061 Ų6137%0.36830%0.298SS..Hα-helixtrans-65.4-48.2-178.556.20000112I25 N26 S31 L32 I33I25-T29 HydrophobicContact CG2-CG2 4.28Å; I25-T29 VanDerWaalsContact O-CG2 3.3Å; I25-T29 WeakPolarHBondContact O-CG2 3.34Å; I25-T29 PolarHBondContact O-N 3.31Å; I25-T29 PolarHBondContact O-OG1 3.3Å; I25-T29 VanDerWaalsContact O-OG1 3.12Å; N26-T29 WeakPolarHBondContact CA-OG1 3.26Å; N26-T29 PolarHBondContact O-OG1 3.23Å; N26-T29 VanDerWaalsContact O-OG1 3.08Å; T29-S31 PolarHBondContact O-N 2.81Å; T29-L32 PolarHBondContact O-N 2.82Å; T29-I33 WeakPolarHBondContact O-CG1 3.3Å; T29-I33 PolarHBondContact O-N 2.9Å
30H97.4Very high95Very high82 Ų8258.5 Ų58.538%0.3829%0.292SS..Hα-helixtrans-69.8-32.9-179.3-74-78.1000112.7L11 L14 N26 I33 I34L11-H30 HydrophobicContact CD2-CB 3.66Å; L14-H30 HydrophobicContact CD1-CB 4.15Å; L14-H30 WeakPolarHBondContact CD1-CD2 3.45Å; N26-H30 WeakPolarHBondContact O-CB 3.45Å; N26-H30 PolarHBondContact O-CD2 2.77Å; N26-H30 PolarHBondContact O-N 3.48Å; H30-I33 PolarHBondContact O-N 3.11Å; H30-I34 VanDerWaalsContact O-CG1 3.28Å; H30-I34 WeakPolarHBondContact O-CG1 3.5Å; H30-I34 PolarHBondContact O-N 2.72Å
31S97.4Very high94.6Very high0 Ų052.4 Ų52.40%027%0.265CS..Hα-helixtrans-70.8-34.2173.858.60000113.3T27 T28 T29 I34 S35 P74T27-S31 WeakPolarHBondContact O-CB 3.43Å; T27-S31 PolarHBondContact O-N 2.91Å; T27-S31 VanDerWaalsContact O-N 3.1Å; T27-S31 PolarHBondContact O-OG 3.37Å; T28-S31 WeakPolarHBondContact CA-OG 3.37Å; T28-S31 PolarHBondContact O-OG 2.8Å; T29-S31 PolarHBondContact O-N 2.81Å; S31-I34 PolarHBondContact O-N 3.23Å; S31-S35 PolarHBondContact O-N 3.26Å; S31-P74 WeakPolarHBondContact OG-CB 3.31Å
32L96.6Very high94.1Very high48 Ų4847.9 Ų47.925%0.25124%0.244SC..Hα-helixtrans-61.7-43.3168.7-75.8168.2000111.3T28 T29 I34 S35 I36 W71 P74 M78T28-L32 WeakPolarHBondContact O-CB 3.31Å; T28-L32 VanDerWaalsContact O-CG 3.31Å; T28-L32 WeakPolarHBondContact O-CG 3.39Å; T28-L32 PolarHBondContact O-N 3.24Å; T29-L32 PolarHBondContact O-N 2.82Å; L32-I34 VanDerWaalsContact C-N 3.29Å; L32-I34 PolarHBondContact O-N 2.91Å; L32-S35 WeakPolarHBondContact O-CB 3.44Å; L32-S35 PolarHBondContact O-N 2.88Å; L32-S35 VanDerWaalsContact O-N 3.13Å; L32-S35 PolarHBondContact O-OG 3.27Å; L32-I36 PolarHBondContact O-N 3.43Å; L32-W71 HydrophobicContact CD2-CZ3 4.47Å; L32-P74 HydrophobicContact CD2-CB 3.74Å; L32-P74 HydrophobicContact CD2-CG 3.67Å; L32-P74 HydrophobicContact CG-CB 3.7Å; L32-P74 HydrophobicContact CG-CG 4.01Å; L32-M78 HydrophobicContact CD1-CE 4.24Å
33I96.4Very high93Very high100 Ų10049.7 Ų49.751%0.51326%0.255SS..Hα-helixtrans-59.6-42.6174.9-65.7165.6000110.7T29 H30 S35 I36T29-I33 WeakPolarHBondContact O-CG1 3.3Å; T29-I33 PolarHBondContact O-N 2.9Å; H30-I33 PolarHBondContact O-N 3.11Å; I33-S35 VanDerWaalsContact C-N 3.31Å; I33-S35 PolarHBondContact O-N 3.46Å; I33-I36 WeakPolarHBondContact O-CB 3.46Å; I33-I36 PolarHBondContact O-N 2.92Å
34I96.8Very high91.8Very high8 Ų851.4 Ų51.44%0.04126%0.263CS..Hα-helixtrans-62.9-37.5176.8-69.4163.9000111.6P7 T8 L11 H30 S31 L32 I36 I37 P38P7-I34 HydrophobicContact CB-CD1 3.87Å; P7-I34 HydrophobicContact CB-CG1 3.76Å; T8-I34 HydrophobicContact CG2-CD1 4.25Å; T8-I34 HydrophobicContact CG2-CG2 3.75Å; L11-I34 HydrophobicContact CD1-CD1 3.69Å; L11-I34 HydrophobicContact CD2-CD1 3.93Å; L11-I34 HydrophobicContact CG-CD1 3.71Å; H30-I34 VanDerWaalsContact O-CG1 3.28Å; H30-I34 WeakPolarHBondContact O-CG1 3.5Å; H30-I34 PolarHBondContact O-N 2.72Å; S31-I34 PolarHBondContact O-N 3.23Å; L32-I34 VanDerWaalsContact C-N 3.29Å; L32-I34 PolarHBondContact O-N 2.91Å; I34-I36 PolarHBondContact O-N 3.31Å; I34-I37 HydrophobicContact CG1-CD1 4.5Å; I34-I37 WeakPolarHBondContact O-CB 3.38Å; I34-I37 PolarHBondContact O-N 3.09Å; I34-I37 VanDerWaalsContact O-N 3.07Å; I34-P38 WeakPolarHBondContact O-CD 3.46Å
35S95.6Very high90.2Very high2 Ų256.5 Ų56.51%0.01429%0.292CS..Hα-helixtrans-63.9-18.517976.50000114.1S31 L32 I33 P38 M67S31-S35 PolarHBondContact O-N 3.26Å; L32-S35 WeakPolarHBondContact O-CB 3.44Å; L32-S35 PolarHBondContact O-N 2.88Å; L32-S35 VanDerWaalsContact O-N 3.13Å; L32-S35 PolarHBondContact O-OG 3.27Å; I33-S35 VanDerWaalsContact C-N 3.31Å; I33-S35 PolarHBondContact O-N 3.46Å; S35-P38 WeakPolarHBondContact O-CD 3.44Å; S35-M67 WeakPolarHBondContact O-CE 3.48Å
36I93.8Very high88.5Confident105 Ų10557.3 Ų57.354%0.53830%0.297SS..Hα-helixtrans-79.2-30.3175.3-61168.1000111.1L32 I33 I34 L39L32-I36 PolarHBondContact O-N 3.43Å; I33-I36 WeakPolarHBondContact O-CB 3.46Å; I33-I36 PolarHBondContact O-N 2.92Å; I34-I36 PolarHBondContact O-N 3.31Å; I36-L39 HydrophobicContact CG2-CD1 4.19Å; I36-L39 VanDerWaalsContact O-CB 3.29Å; I36-L39 WeakPolarHBondContact O-CB 3.37Å; I36-L39 WeakPolarHBondContact O-CG 3.34Å; I36-L39 PolarHBondContact O-N 2.9Å
37I92.6Very high86.9Confident38 Ų3858.6 Ų58.620%0.19530%0.304CS..G310 helixtrans-57.6-44.7-177-57.9173.1000113K3 L4 P7 I34 L39 L40K3-I37 HydrophobicContact CG-CG2 4.46Å; L4-I37 HydrophobicContact CB-CG2 4.26Å; P7-I37 HydrophobicContact CG-CD1 4.22Å; I34-I37 HydrophobicContact CG1-CD1 4.5Å; I34-I37 WeakPolarHBondContact O-CB 3.38Å; I34-I37 PolarHBondContact O-N 3.09Å; I34-I37 VanDerWaalsContact O-N 3.07Å; I37-L39 PolarHBondContact O-N 3.32Å; I37-L40 HydrophobicContact CG2-CD1 4.49Å; I37-L40 WeakPolarHBondContact O-CB 3.23Å; I37-L40 WeakPolarHBondContact O-CG 3.47Å; I37-L40 PolarHBondContact O-N 3.33Å; I37-L40 VanDerWaalsContact O-N 3.15Å
38P90.6Very high85.4Confident2 Ų264.4 Ų64.41%0.01334%0.335CS..G310 helixtrans-63.9-17.1-179.76.2-11.4000115.2L4 I34 S35 L40 F41 M67 T70L4-P38 HydrophobicContact CD1-CB 4Å; L4-P38 HydrophobicContact CD1-CG 3.84Å; I34-P38 WeakPolarHBondContact O-CD 3.46Å; S35-P38 WeakPolarHBondContact O-CD 3.44Å; P38-L40 PolarHBondContact O-N 3.12Å; P38-L40 VanDerWaalsContact O-N 3.11Å; P38-F41 HydrophobicContact CB-CD2 4.09Å; P38-F41 WeakPolarHBondContact O-CB 3.37Å; P38-F41 WeakPolarHBondContact O-CD2 3.2Å; P38-F41 PolarHBondContact O-N 2.7Å; P38-M67 HydrophobicContact CB-SD 4.23Å; P38-M67 HydrophobicContact CG-SD 4.02Å; P38-T70 HydrophobicContact CG-CG2 4.01Å; P38-T70 WeakPolarHBondContact CG-OG1 3.31Å
39L90.1Very high84Confident89 Ų8965.2 Ų65.247%0.46634%0.338SS..G310 helixtrans-57.1-27.8173.2-64.8172.2000112.2I36 I37 F41 F42 M67I36-L39 HydrophobicContact CG2-CD1 4.19Å; I36-L39 VanDerWaalsContact O-CB 3.29Å; I36-L39 WeakPolarHBondContact O-CB 3.37Å; I36-L39 WeakPolarHBondContact O-CG 3.34Å; I36-L39 PolarHBondContact O-N 2.9Å; I37-L39 PolarHBondContact O-N 3.32Å; L39-F41 PolarHBondContact O-N 2.95Å; L39-F42 HydrophobicContact CD2-CD2 4.06Å; L39-F42 HydrophobicContact CD2-CE2 3.97Å; L39-F42 PolarHBondContact O-N 3.42Å; L39-M67 HydrophobicContact CD2-CE 4.01Å; L39-M67 HydrophobicContact CD2-SD 3.98Å; L39-M67 HydrophobicContact CG-CE 4.34Å; L39-M67 HydrophobicContact CG-SD 4.25Å
40L88.4Confident82.8Confident117 Ų11767.6 Ų67.661%0.61334%0.344SS*.G310 helixtrans-63.9-20175.6-60.6173.9000113.6I37 P38I37-L40 HydrophobicContact CG2-CD1 4.49Å; I37-L40 WeakPolarHBondContact O-CB 3.23Å; I37-L40 WeakPolarHBondContact O-CG 3.47Å; I37-L40 PolarHBondContact O-N 3.33Å; I37-L40 VanDerWaalsContact O-N 3.15Å; P38-L40 PolarHBondContact O-N 3.12Å; P38-L40 VanDerWaalsContact O-N 3.11Å
41F84.8Confident81.7Confident7 Ų767.2 Ų67.23%0.03135%0.35CS..G310 helixtrans-87.2-8.1179.8-58.7-68.1000113.5M1 K3 L4 P38 L39 N43 Q44 T63M1-F41 HydrophobicContact CE-CD2 4.24Å; M1-F41 HydrophobicContact CE-CE1 4.23Å; M1-F41 HydrophobicContact CE-CE2 3.68Å; M1-F41 HydrophobicContact CE-CZ 3.65Å; M1-F41 HydrophobicContact SD-CD1 4.3Å; M1-F41 HydrophobicContact SD-CE1 3.46Å; M1-F41 WeakPolarHBondContact SD-CE1 3.26Å; M1-F41 HydrophobicContact SD-CE2 3.94Å; M1-F41 HydrophobicContact SD-CZ 3.24Å; M1-F41 WeakPolarHBondContact SD-CZ 3.36Å; K3-F41 HydrophobicContact CD-CZ 4.26Å; K3-F41 HydrophobicContact CG-CZ 4.31Å; L4-F41 HydrophobicContact CD1-CE2 4.04Å; P38-F41 HydrophobicContact CB-CD2 4.09Å; P38-F41 WeakPolarHBondContact O-CB 3.37Å; P38-F41 WeakPolarHBondContact O-CD2 3.2Å; P38-F41 PolarHBondContact O-N 2.7Å; L39-F41 PolarHBondContact O-N 2.95Å; F41-N43 PolarHBondContact O-N 3.39Å; F41-Q44 WeakPolarHBondContact O-CG 3.31Å; F41-T63 HydrophobicContact CB-CG2 3.67Å
42F82.1Confident80.7Confident61 Ų6169.8 Ų69.827%0.26837%0.368SS..G310 helixtrans-72.8-10.1174.9-74.4-58.9000113.6L39 Q44 P64 M67 I453L39-F42 HydrophobicContact CD2-CD2 4.06Å; L39-F42 HydrophobicContact CD2-CE2 3.97Å; L39-F42 PolarHBondContact O-N 3.42Å; F42-Q44 PolarHBondContact O-N 3Å; F42-P64 HydrophobicContact CE1-CG 4.35Å; F42-M67 HydrophobicContact CE2-CB 4.23Å; F42-M67 HydrophobicContact CE2-CG 4.16Å; F42-M67 HydrophobicContact CZ-CB 4.05Å; F42-M67 HydrophobicContact CZ-CG 4.33Å; F42-I453 HydrophobicContact CD1-CG2 3.27Å; F42-I453 HydrophobicContact CD2-CG2 4.25Å; F42-I453 HydrophobicContact CE1-CG2 3.12Å; F42-I453 HydrophobicContact CE2-CG2 4.14Å; F42-I453 HydrophobicContact CG-CG2 3.86Å; F42-I453 HydrophobicContact CZ-CG2 3.59Å
43N72.8Confident80.3Confident128 Ų12869.3 Ų69.368%0.68437%0.369SS*.  trans-79.362.3173.6-167.618.5000111.5F41F41-N43 PolarHBondContact O-N 3.39Å
44Q69.9Low79.9Confident37 Ų3769.7 Ų69.717%0.17338%0.378CS..  trans-105.2104174.3-73.2176.6-5.100108.2F41 F42 N46 S58F41-Q44 WeakPolarHBondContact O-CG 3.31Å; F42-Q44 PolarHBondContact O-N 3Å; Q44-N46 VanDerWaalsContact C-N 3.32Å; Q44-S58 VanDerWaalsContact NE2-C 3.34Å; Q44-S58 PolarHBondContact NE2-O 3.22Å; Q44-S58 PolarHBondContact NE2-OG 2.97Å
45I62.1Low79.6Confident144 Ų14471.8 Ų71.874%0.73839%0.391SS*.  trans-78.1-21.2-173.9-62.8167.1000111.5
46N62.6Low79.5Confident108 Ų10872.5 Ų72.558%0.57839%0.393SS*.SBendtrans-136.6156.6-178.6-77.8-17.4000110.7Q44 N48Q44-N46 VanDerWaalsContact C-N 3.32Å; N46-N48 HydrophobicContact CB-CB 4.48Å; N46-N48 PolarHBondContact O-N 3.48Å
47N62.9Low79.4Confident79 Ų7967.5 Ų67.542%0.42237%0.368SS..SBendtrans-59.55.2171.1-70.1-25.1000114.9S459N47-S459 PolarHBondContact ND2-O 3.22Å; N47-S459 PolarHBondContact OD1-O 2.87Å
48N65.5Low79.3Confident122 Ų12265.7 Ų65.765%0.65236%0.359SS*.SBendtrans-77.7133.9175.8-69.6-2.7000110.1N46 F50N46-N48 HydrophobicContact CB-CB 4.48Å; N46-N48 PolarHBondContact O-N 3.48Å; N48-F50 PolarHBondContact O-N 3.32Å; N48-F50 VanDerWaalsContact O-N 3.12Å
49L69.8Low79.2Confident32 Ų3265.6 Ų65.617%0.16836%0.358CS..  trans-51.6116.5167.6-81.7143.3000110S51 D59 L177L49-S51 VanDerWaalsContact C-N 3.35Å; L49-S51 PolarHBondContact O-N 3Å; L49-D59 HydrophobicContact CD2-CB 3.67Å; L49-D59 HydrophobicContact CG-CB 4.07Å; L49-L177 HydrophobicContact CB-CD2 3.66Å; L49-L177 HydrophobicContact CD1-CD2 3.47Å; L49-L177 VanDerWaalsContact CD1-CD2 3.47Å; L49-L177 HydrophobicContact CD1-CG 4.18Å; L49-L177 HydrophobicContact CG-CD2 4.15Å
50F71.2Confident79.1Confident111 Ų11162 Ų6249%0.48734%0.34SS..EExtended strand (participates in β ladder)trans-73.490.4171.1-174.1-98000108.8N48 C52 S57 S58N48-F50 PolarHBondContact O-N 3.32Å; N48-F50 VanDerWaalsContact O-N 3.12Å; F50-C52 VanDerWaalsContact CE1-SG 3.57Å; F50-C52 PolarHBondContact O-N 3.03Å; F50-S57 WeakPolarHBondContact O-CA 3.47Å; F50-S58 WeakPolarHBondContact CA-O 3.45Å; F50-S58 VanDerWaalsContact CB-O 3.28Å; F50-S58 WeakPolarHBondContact CB-O 3.26Å; F50-S58 PolarHBondContact N-O 2.97Å; F50-S58 PolarHBondContact O-N 3.29Å
51S73.9Confident79.3Confident73 Ų7356.5 Ų56.551%0.5131%0.311SS..EExtended strand (participates in β ladder)trans-73.6112.8174.958.80000110.1L49L49-S51 VanDerWaalsContact C-N 3.35Å; L49-S51 PolarHBondContact O-N 3Å
52C76.9Confident79.7Confident54 Ų5456.1 Ų56.137%0.36531%0.31SS..SBendtrans-80.9-38.2172.3-69.40000111.8F50 F56F50-C52 VanDerWaalsContact CE1-SG 3.57Å; F50-C52 PolarHBondContact O-N 3.03Å; C52-F56 WeakPolarHBondContact CB-O 3.46Å; C52-F56 PolarHBondContact N-O 3.19Å
53S87.9Confident80.1Confident39 Ų3953.4 Ų53.427%0.27330%0.298SS..SBendtrans-155.1165.5-176.159.10000108.4T55 F56S53-T55 PolarHBondContact O-N 3.13Å; S53-T55 VanDerWaalsContact O-N 3.08Å; S53-T55 PolarHBondContact OG-OG1 3.18Å; S53-F56 PolarHBondContact N-O 3.36Å; S53-F56 PolarHBondContact O-N 3.07Å; S53-F56 VanDerWaalsContact O-O 3.11Å; S53-F56 PolarHBondContact OG-N 3.27Å; S53-F56 VanDerWaalsContact OG-N 3.14Å
54P87.1Confident81.2Confident108 Ų10847.5 Ų47.570%0.70127%0.267SS*.SBendtrans-57.2-25.3174.622.3-34.9000113T113P54-T113 WeakPolarHBondContact O-CB 3.21Å; P54-T113 PolarHBondContact O-OG1 3.29Å
55T91.6Very high82.4Confident51 Ų5145.9 Ų45.931%0.31326%0.259SS..SBendtrans-91-27-178.7520000115.1S53 T113 M117S53-T55 PolarHBondContact O-N 3.13Å; S53-T55 VanDerWaalsContact O-N 3.08Å; S53-T55 PolarHBondContact OG-OG1 3.18Å; T55-T113 VanDerWaalsContact CA-OG1 3.28Å; T55-T113 WeakPolarHBondContact CA-OG1 3.23Å; T55-T113 PolarHBondContact O-N 3.27Å; T55-T113 PolarHBondContact O-OG1 2.93Å; T55-M117 HydrophobicContact CG2-CE 4.08Å
56F93.1Very high84Confident17 Ų1739 Ų398%0.07522%0.224CC..BIsolated β-bridgetrans-134.2128.8-173.6-56.2-65.1000112.7M1 I5 C52 S53 M108 T111 M117M1-F56 HydrophobicContact CB-CB 3.77Å; M1-F56 HydrophobicContact CB-CD1 4.49Å; M1-F56 HydrophobicContact CB-CD2 4.31Å; M1-F56 HydrophobicContact CB-CG 3.94Å; M1-F56 HydrophobicContact CG-CB 3.55Å; M1-F56 HydrophobicContact CG-CG 4.22Å; I5-F56 HydrophobicContact CD1-CD2 4.44Å; I5-F56 HydrophobicContact CD1-CE1 4.41Å; I5-F56 HydrophobicContact CD1-CE2 4.08Å; I5-F56 HydrophobicContact CD1-CZ 4.1Å; C52-F56 WeakPolarHBondContact CB-O 3.46Å; C52-F56 PolarHBondContact N-O 3.19Å; S53-F56 PolarHBondContact N-O 3.36Å; S53-F56 PolarHBondContact O-N 3.07Å; S53-F56 VanDerWaalsContact O-O 3.11Å; S53-F56 PolarHBondContact OG-N 3.27Å; S53-F56 VanDerWaalsContact OG-N 3.14Å; F56-M108 HydrophobicContact CE1-CE 3.55Å; F56-M108 HydrophobicContact CE1-SD 3.59Å; F56-M108 VanDerWaalsContact CE1-SD 3.59Å; F56-M108 HydrophobicContact CE2-CE 4.43Å; F56-M108 HydrophobicContact CZ-CE 3.26Å; F56-M108 HydrophobicContact CZ-SD 3.64Å; F56-T111 VanDerWaalsContact CA-O 3.26Å; F56-T111 WeakPolarHBondContact CA-O 3.07Å; F56-T111 WeakPolarHBondContact CD1-OG1 3.47Å; F56-M117 HydrophobicContact CE1-SD 4.45Å
57S91.4Very high85.5Confident1 Ų135.6 Ų35.61%0.00721%0.205CC..EExtended strand (participates in β ladder)trans-130.3159.8175.164.20000110.7F50 T111 T113F50-S57 WeakPolarHBondContact O-CA 3.47Å; S57-T111 PolarHBondContact N-O 3.44Å; S57-T111 WeakPolarHBondContact O-CA 3.26Å; S57-T113 WeakPolarHBondContact OG-CG2 3.49Å
58S90.1Very high87.1Confident0 Ų032.3 Ų32.30%019%0.187CC..EExtended strand (participates in β ladder)trans-136.8146170.458.20000109.1Q44 F50 T62Q44-S58 VanDerWaalsContact NE2-C 3.34Å; Q44-S58 PolarHBondContact NE2-O 3.22Å; Q44-S58 PolarHBondContact NE2-OG 2.97Å; F50-S58 WeakPolarHBondContact CA-O 3.45Å; F50-S58 VanDerWaalsContact CB-O 3.28Å; F50-S58 WeakPolarHBondContact CB-O 3.26Å; F50-S58 PolarHBondContact N-O 2.97Å; F50-S58 PolarHBondContact O-N 3.29Å; S58-T62 WeakPolarHBondContact CA-OG1 3.47Å
59D88.6Confident88.6Confident0 Ų026.7 Ų26.70%016%0.158CC..  trans-148.9172.9-177.565.2-13.4000109.2L49 L61 T62 T63 R245 F457L49-D59 HydrophobicContact CD2-CB 3.67Å; L49-D59 HydrophobicContact CG-CB 4.07Å; D59-L61 PolarHBondContact O-N 3.37Å; D59-T62 PolarHBondContact N-OG1 2.96Å; D59-T62 PolarHBondContact O-N 3.01Å; D59-T62 PolarHBondContact O-OG1 3.22Å; D59-T62 VanDerWaalsContact OD1-CB 3.26Å; D59-T62 WeakPolarHBondContact OD1-CB 3.17Å; D59-T62 WeakPolarHBondContact OD1-CG2 3.49Å; D59-T62 PolarHBondContact OD1-N 3Å; D59-T62 PolarHBondContact OD1-OG1 3.33Å; D59-T63 WeakPolarHBondContact O-CG2 3.33Å; D59-T63 PolarHBondContact O-N 2.83Å; D59-T63 PolarHBondContact O-OG1 3.18Å; D59-R245 IonicContact OD1-CZ 2.71Å; D59-R245 IonicContact OD1-NH2 3.04Å; D59-R245 PolarHBondContact OD1-NH2 2.68Å; D59-R245 IonicContact OD2-CZ 3.04Å; D59-R245 IonicContact OD2-NH1 3.93Å; D59-R245 PolarHBondContact OD2-NH1 3.33Å; D59-R245 IonicContact OD2-NH2 2.96Å; D59-R245 PolarHBondContact OD2-NH2 2.86Å; D59-F457 WeakPolarHBondContact OD2-CZ 3.14Å
60P89.5Confident89.9Confident13 Ų1325.2 Ų25.28%0.08415%0.15CC..THydrogen-bonded Turntrans-60.9-18.1-174.1-28.136.6000114.3P64 G456P60-P64 WeakPolarHBondContact O-CD 3.35Å; P60-P64 WeakPolarHBondContact O-CG 3.37Å; P60-G456 WeakPolarHBondContact CB-O 3.38Å
61L91.4Very high91.2Very high1 Ų122 Ų221%0.00514%0.135CC..THydrogen-bonded Turntrans-82-42.4175-174.2162.8000111.8D59 P64 L65 Y241 M244 V313 F457D59-L61 PolarHBondContact O-N 3.37Å; L61-P64 WeakPolarHBondContact O-CD 3.32Å; L61-L65 HydrophobicContact CD2-CD1 4.16Å; L61-Y241 HydrophobicContact CD2-CD2 3.19Å; L61-Y241 HydrophobicContact CD2-CE2 3.44Å; L61-Y241 VanDerWaalsContact CD2-CE2 3.44Å; L61-Y241 HydrophobicContact CD2-CG 4.38Å; L61-M244 HydrophobicContact CD1-CB 3.83Å; L61-M244 HydrophobicContact CD1-CG 4.28Å; L61-M244 HydrophobicContact CD1-SD 3.44Å; L61-M244 WeakPolarHBondContact CD1-SD 3.3Å; L61-M244 HydrophobicContact CG-SD 4.19Å; L61-V313 HydrophobicContact CG-CG2 4.24Å; L61-F457 HydrophobicContact CB-CE2 3.98Å; L61-F457 HydrophobicContact CB-CZ 4.1Å; L61-F457 HydrophobicContact CD1-CD2 4.28Å; L61-F457 HydrophobicContact CD1-CE2 3.48Å; L61-F457 VanDerWaalsContact CD1-CE2 3.48Å; L61-F457 HydrophobicContact CD1-CZ 4.17Å; L61-F457 HydrophobicContact CG-CE2 4.39Å
62T92.5Very high92.3Very high0 Ų019 Ų190%011%0.113CC..Hα-helixtrans-78.9-34.1-178.150.30000113S58 D59 L65 L66 F110 Y241S58-T62 WeakPolarHBondContact CA-OG1 3.47Å; D59-T62 PolarHBondContact N-OG1 2.96Å; D59-T62 PolarHBondContact O-N 3.01Å; D59-T62 PolarHBondContact O-OG1 3.22Å; D59-T62 VanDerWaalsContact OD1-CB 3.26Å; D59-T62 WeakPolarHBondContact OD1-CB 3.17Å; D59-T62 WeakPolarHBondContact OD1-CG2 3.49Å; D59-T62 PolarHBondContact OD1-N 3Å; D59-T62 PolarHBondContact OD1-OG1 3.33Å; T62-L65 PolarHBondContact O-N 3.18Å; T62-L66 WeakPolarHBondContact O-CB 3.41Å; T62-L66 WeakPolarHBondContact O-CD1 3.3Å; T62-L66 VanDerWaalsContact O-CG 3.26Å; T62-L66 WeakPolarHBondContact O-CG 3.48Å; T62-L66 PolarHBondContact O-N 3.12Å; T62-F110 WeakPolarHBondContact CG2-O 3.49Å; T62-Y241 HydrophobicContact CG2-CD2 4.33Å; T62-Y241 HydrophobicContact CG2-CE2 3.36Å
63T92.4Very high93.3Very high4 Ų416.8 Ų16.83%0.02510%0.097CC..Hα-helixtrans-60.3-42.6-174.552.90000113.2F41 D59 L66 M67F41-T63 HydrophobicContact CB-CG2 3.67Å; D59-T63 WeakPolarHBondContact O-CG2 3.33Å; D59-T63 PolarHBondContact O-N 2.83Å; D59-T63 PolarHBondContact O-OG1 3.18Å; T63-L66 PolarHBondContact O-N 2.99Å; T63-M67 PolarHBondContact O-N 3.43Å
64P94.2Very high93.7Very high4 Ų415 Ų153%0.0268%0.084CC..Hα-helixtrans-70.7-36.9177.5-19.135.1000112.7F42 P60 L61 M67 L68 I317 I454F42-P64 HydrophobicContact CE1-CG 4.35Å; P60-P64 WeakPolarHBondContact O-CD 3.35Å; P60-P64 WeakPolarHBondContact O-CG 3.37Å; L61-P64 WeakPolarHBondContact O-CD 3.32Å; P64-M67 PolarHBondContact O-N 2.85Å; P64-L68 WeakPolarHBondContact O-CB 3.25Å; P64-L68 PolarHBondContact O-N 3.27Å; P64-I317 HydrophobicContact CB-CD1 3.26Å; P64-I317 HydrophobicContact CB-CG1 3.96Å; P64-I317 HydrophobicContact CG-CD1 4.03Å; P64-I454 HydrophobicContact CB-CG2 4.07Å; P64-I454 HydrophobicContact CG-CG2 4.3Å
65L95.6Very high94.2Very high2 Ų210 Ų101%0.015%0.052CC..Hα-helixtrans-65.4-41.1176.9-66.9173.4000110.7L61 T62 L68 T69 F110 K237 Y241L61-L65 HydrophobicContact CD2-CD1 4.16Å; T62-L65 PolarHBondContact O-N 3.18Å; L65-L68 PolarHBondContact O-N 3.12Å; L65-T69 WeakPolarHBondContact O-CG2 3.41Å; L65-T69 PolarHBondContact O-N 3.36Å; L65-F110 HydrophobicContact CB-CD1 4.01Å; L65-F110 HydrophobicContact CB-CD2 4.43Å; L65-F110 HydrophobicContact CB-CE1 3.98Å; L65-F110 HydrophobicContact CB-CE2 4.42Å; L65-F110 HydrophobicContact CB-CG 4.25Å; L65-F110 HydrophobicContact CB-CZ 4.18Å; L65-F110 HydrophobicContact CD1-CD1 3.87Å; L65-F110 HydrophobicContact CD1-CE1 3.63Å; L65-F110 HydrophobicContact CD1-CZ 4.44Å; L65-F110 HydrophobicContact CG-CE1 4.3Å; L65-K237 HydrophobicContact CD2-CB 4Å; L65-K237 HydrophobicContact CD2-CG 4.21Å; L65-Y241 HydrophobicContact CD1-CD2 3.96Å; L65-Y241 HydrophobicContact CD1-CG 4.47Å
66L95.6Very high94.5Very high0 Ų07.6 Ų7.60%04%0.037CC..Hα-helixtrans-62.7-43.7173.1-74.9164.9000112.1M1 T62 T63 L68 T69 T70 I107 F110 T111M1-L66 HydrophobicContact CE-CD1 3.49Å; M1-L66 VanDerWaalsContact CE-CD1 3.49Å; M1-L66 HydrophobicContact CE-CD2 4.44Å; T62-L66 WeakPolarHBondContact O-CB 3.41Å; T62-L66 WeakPolarHBondContact O-CD1 3.3Å; T62-L66 VanDerWaalsContact O-CG 3.26Å; T62-L66 WeakPolarHBondContact O-CG 3.48Å; T62-L66 PolarHBondContact O-N 3.12Å; T63-L66 PolarHBondContact O-N 2.99Å; L66-L68 PolarHBondContact O-N 2.86Å; L66-T69 PolarHBondContact O-N 3.49Å; L66-T69 PolarHBondContact O-OG1 3.21Å; L66-T70 PolarHBondContact O-N 3.28Å; L66-T70 PolarHBondContact O-OG1 3.21Å; L66-T70 VanDerWaalsContact O-OG1 3.05Å; L66-I107 HydrophobicContact CD2-CB 4.39Å; L66-I107 HydrophobicContact CD2-CG1 4.33Å; L66-I107 HydrophobicContact CD2-CG2 4.33Å; L66-F110 HydrophobicContact CD2-CB 3.94Å; L66-F110 HydrophobicContact CG-CB 4.03Å; L66-T111 HydrophobicContact CD1-CG2 3.6Å; L66-T111 HydrophobicContact CD2-CG2 3.82Å; L66-T111 HydrophobicContact CG-CG2 4.26Å
67M95.1Very high94.7Very high37 Ų376.9 Ų6.918%0.1823%0.034CC..Hα-helixtrans-59.5-47.8174.9-174.960.7-162.200110.8S35 P38 L39 F42 T63 P64 T69 T70 W71S35-M67 WeakPolarHBondContact O-CE 3.48Å; P38-M67 HydrophobicContact CB-SD 4.23Å; P38-M67 HydrophobicContact CG-SD 4.02Å; L39-M67 HydrophobicContact CD2-CE 4.01Å; L39-M67 HydrophobicContact CD2-SD 3.98Å; L39-M67 HydrophobicContact CG-CE 4.34Å; L39-M67 HydrophobicContact CG-SD 4.25Å; F42-M67 HydrophobicContact CE2-CB 4.23Å; F42-M67 HydrophobicContact CE2-CG 4.16Å; F42-M67 HydrophobicContact CZ-CB 4.05Å; F42-M67 HydrophobicContact CZ-CG 4.33Å; T63-M67 PolarHBondContact O-N 3.43Å; P64-M67 PolarHBondContact O-N 2.85Å; M67-T69 VanDerWaalsContact C-N 3.35Å; M67-T69 PolarHBondContact O-N 2.88Å; M67-T70 PolarHBondContact O-N 2.8Å; M67-T70 PolarHBondContact O-OG1 3.02Å; M67-T70 VanDerWaalsContact O-OG1 3.12Å; M67-W71 HydrophobicContact CE-CE3 4.32Å; M67-W71 WeakPolarHBondContact O-CB 3.48Å; M67-W71 PolarHBondContact O-N 3.3Å
68L96.5Very high95Very high9 Ų98.3 Ų8.35%0.0474%0.041CC..Hα-helixtrans-58.5-44.5176.2-174.570.3000111.8P64 L65 L66 T70 W71 L72 A233 V234 L321P64-L68 WeakPolarHBondContact O-CB 3.25Å; P64-L68 PolarHBondContact O-N 3.27Å; L65-L68 PolarHBondContact O-N 3.12Å; L66-L68 PolarHBondContact O-N 2.86Å; L68-T70 PolarHBondContact O-N 3.15Å; L68-W71 PolarHBondContact O-N 2.71Å; L68-L72 VanDerWaalsContact O-CB 3.28Å; L68-L72 WeakPolarHBondContact O-CB 3.43Å; L68-L72 PolarHBondContact O-N 3.14Å; L68-A233 WeakPolarHBondContact CD2-O 2.84Å; L68-V234 HydrophobicContact CD2-CG2 4.49Å; L68-L321 HydrophobicContact CD1-CD2 3.51Å; L68-L321 HydrophobicContact CD1-CG 3.74Å
69T97.1Very high95.3Very high5 Ų58.3 Ų8.33%0.0314%0.041CC..Hα-helixtrans-62.5-42.9-179.465.60000113.1L65 L66 M67 L106 F110 V234L65-T69 WeakPolarHBondContact O-CG2 3.41Å; L65-T69 PolarHBondContact O-N 3.36Å; L66-T69 PolarHBondContact O-N 3.49Å; L66-T69 PolarHBondContact O-OG1 3.21Å; M67-T69 VanDerWaalsContact C-N 3.35Å; M67-T69 PolarHBondContact O-N 2.88Å; T69-L106 HydrophobicContact CG2-CB 4.32Å; T69-F110 HydrophobicContact CG2-CD2 3.77Å; T69-F110 HydrophobicContact CG2-CE2 3.39Å; T69-F110 HydrophobicContact CG2-CZ 4.46Å; T69-V234 HydrophobicContact CG2-CB 4.41Å; T69-V234 HydrophobicContact CG2-CG1 3.47Å; T69-V234 VanDerWaalsContact CG2-CG1 3.47Å; T69-V234 HydrophobicContact CG2-CG2 4Å
70T96.9Very high95.7Very high0 Ų08.3 Ų8.30%04%0.041CC..Hα-helixtrans-77.7-34.7-177.555.60000111.9L4 P38 L66 M67 L68 L72 P74 I107L4-T70 HydrophobicContact CD1-CG2 4.14Å; L4-T70 HydrophobicContact CD2-CG2 4.39Å; L4-T70 HydrophobicContact CG-CG2 4.47Å; P38-T70 HydrophobicContact CG-CG2 4.01Å; P38-T70 WeakPolarHBondContact CG-OG1 3.31Å; L66-T70 PolarHBondContact O-N 3.28Å; L66-T70 PolarHBondContact O-OG1 3.21Å; L66-T70 VanDerWaalsContact O-OG1 3.05Å; M67-T70 PolarHBondContact O-N 2.8Å; M67-T70 PolarHBondContact O-OG1 3.02Å; M67-T70 VanDerWaalsContact O-OG1 3.12Å; L68-T70 PolarHBondContact O-N 3.15Å; T70-L72 VanDerWaalsContact C-N 3.33Å; T70-P74 WeakPolarHBondContact O-CD 3.28Å; T70-I107 HydrophobicContact CG2-CD1 3.82Å; T70-I107 HydrophobicContact CG2-CG1 4.21Å
71W97.3Very high95.9Very high45 Ų4510.1 Ų10.117%0.175%0.048CC..Hα-helixtrans-60.4-43170.6-173.4-112.1000111.2L32 M67 L68 L73 P74 L75 M439 P443L32-W71 HydrophobicContact CD2-CZ3 4.47Å; M67-W71 HydrophobicContact CE-CE3 4.32Å; M67-W71 WeakPolarHBondContact O-CB 3.48Å; M67-W71 PolarHBondContact O-N 3.3Å; L68-W71 PolarHBondContact O-N 2.71Å; W71-L73 PolarHBondContact O-N 3.4Å; W71-P74 WeakPolarHBondContact O-CD 3.37Å; W71-P74 WeakPolarHBondContact O-CG 3.35Å; W71-L75 HydrophobicContact CD2-CD1 4.18Å; W71-L75 HydrophobicContact CG-CD1 4.07Å; W71-L75 WeakPolarHBondContact O-CD1 3.35Å; W71-M439 HydrophobicContact CH2-SD 3.77Å; W71-M439 HydrophobicContact CZ2-CB 4.17Å; W71-M439 WeakPolarHBondContact CZ2-O 3.44Å; W71-M439 HydrophobicContact CZ2-SD 3.77Å; W71-M439 PolarHBondContact NE1-O 3.08Å; W71-P443 HydrophobicContact CZ2-CG 4.12Å
72L97.4Very high95.9Very high10 Ų1015.7 Ų15.75%0.0527%0.069CC..Hα-helixtrans-68.6-28.5-171.2-170137.1000114.9L68 T70 L75 T76 V230 A233L68-L72 VanDerWaalsContact O-CB 3.28Å; L68-L72 WeakPolarHBondContact O-CB 3.43Å; L68-L72 PolarHBondContact O-N 3.14Å; T70-L72 VanDerWaalsContact C-N 3.33Å; L72-L75 PolarHBondContact O-N 2.64Å; L72-T76 HydrophobicContact CD2-CG2 3.26Å; L72-T76 HydrophobicContact CG-CG2 3.99Å; L72-T76 WeakPolarHBondContact O-CG2 3.42Å; L72-T76 PolarHBondContact O-N 3.11Å; L72-T76 PolarHBondContact O-OG1 2.81Å; L72-V230 HydrophobicContact CD2-CB 4.25Å; L72-V230 HydrophobicContact CD2-CG2 3.44Å; L72-V230 VanDerWaalsContact CD2-CG2 3.44Å; L72-A233 HydrophobicContact CD1-CB 3.11Å
73L97.6Very high95.9Very high7 Ų718.1 Ų18.14%0.0378%0.08CC..Hα-helixtrans-57.7-54.3-178.3-172.8121.9000113L11 W71 L75 T76 I77 L99 I100 Q103L11-L73 HydrophobicContact CD1-CD2 4.17Å; W71-L73 PolarHBondContact O-N 3.4Å; L73-L75 VanDerWaalsContact C-N 3.25Å; L73-L75 PolarHBondContact O-N 2.88Å; L73-T76 PolarHBondContact O-N 3.17Å; L73-T76 VanDerWaalsContact O-N 3.13Å; L73-T76 PolarHBondContact O-OG1 2.92Å; L73-I77 HydrophobicContact CD2-CD1 3.46Å; L73-I77 VanDerWaalsContact CD2-CD1 3.46Å; L73-I77 HydrophobicContact CD2-CG1 4.38Å; L73-I77 HydrophobicContact CG-CD1 4.02Å; L73-I77 HydrophobicContact CG-CG1 4.45Å; L73-I77 WeakPolarHBondContact O-CG1 3.28Å; L73-I77 PolarHBondContact O-N 3.37Å; L73-L99 HydrophobicContact CD1-CB 4.28Å; L73-L99 WeakPolarHBondContact CD1-O 3.32Å; L73-I100 HydrophobicContact CD1-CG1 4.15Å; L73-Q103 HydrophobicContact CD1-CB 3.67Å; L73-Q103 HydrophobicContact CD1-CG 4.29Å; L73-Q103 VanDerWaalsContact CD1-OE1 3.25Å
74P97.5Very high96Very high1 Ų118 Ų181%0.0068%0.08CC..Hα-helixtrans-57.3-3717717.7-29.3000113.1S31 L32 T70 W71 I77 M78S31-P74 WeakPolarHBondContact OG-CB 3.31Å; L32-P74 HydrophobicContact CD2-CB 3.74Å; L32-P74 HydrophobicContact CD2-CG 3.67Å; L32-P74 HydrophobicContact CG-CB 3.7Å; L32-P74 HydrophobicContact CG-CG 4.01Å; T70-P74 WeakPolarHBondContact O-CD 3.28Å; W71-P74 WeakPolarHBondContact O-CD 3.37Å; W71-P74 WeakPolarHBondContact O-CG 3.35Å; P74-I77 PolarHBondContact O-N 2.92Å; P74-M78 WeakPolarHBondContact O-CG 3.46Å; P74-M78 PolarHBondContact O-N 2.93Å
75L97.8Very high96Very high3 Ų321 Ų212%0.01610%0.101CC..Hα-helixtrans-66.4-41177.7-66.991.2000111.7W71 L72 L73 I77 M78 X79 M229 M439 H440W71-L75 HydrophobicContact CD2-CD1 4.18Å; W71-L75 HydrophobicContact CG-CD1 4.07Å; W71-L75 WeakPolarHBondContact O-CD1 3.35Å; L72-L75 PolarHBondContact O-N 2.64Å; L73-L75 VanDerWaalsContact C-N 3.25Å; L73-L75 PolarHBondContact O-N 2.88Å; L75-I77 VanDerWaalsContact C-N 3.32Å; L75-I77 PolarHBondContact O-N 3.4Å; L75-M78 PolarHBondContact O-N 3.42Å; L75-A79 WeakPolarHBondContact O-CB 3.3Å; L75-A79 PolarHBondContact O-N 2.89Å; L75-M229 HydrophobicContact CB-CE 3.88Å; L75-M439 HydrophobicContact CD2-CB 3.73Å; L75-M439 HydrophobicContact CG-CB 4.25Å; L75-H440 HydrophobicContact CD2-CB 4.49Å; L75-H440 WeakPolarHBondContact CD2-CE1 3.42Å; L75-H440 WeakPolarHBondContact CD2-ND1 3.46Å
76T97.4Very high95.8Very high1 Ų126 Ų261%0.00614%0.136CC..Hα-helixtrans-65.6-35.2175.861.20000113.1L72 L73 X79 S80 A226 M229 V230L72-T76 HydrophobicContact CD2-CG2 3.26Å; L72-T76 HydrophobicContact CG-CG2 3.99Å; L72-T76 WeakPolarHBondContact O-CG2 3.42Å; L72-T76 PolarHBondContact O-N 3.11Å; L72-T76 PolarHBondContact O-OG1 2.81Å; L73-T76 PolarHBondContact O-N 3.17Å; L73-T76 VanDerWaalsContact O-N 3.13Å; L73-T76 PolarHBondContact O-OG1 2.92Å; T76-A79 PolarHBondContact O-N 3.02Å; T76-S80 WeakPolarHBondContact O-CB 3.33Å; T76-S80 PolarHBondContact O-N 3Å; T76-S80 PolarHBondContact O-OG 3.21Å; T76-A226 HydrophobicContact CG2-CB 4.22Å; T76-M229 HydrophobicContact CG2-CB 3.98Å; T76-M229 HydrophobicContact CG2-CE 3.89Å; T76-M229 HydrophobicContact CG2-SD 3.93Å; T76-V230 HydrophobicContact CG2-CG2 3.9Å
77I97.3Very high95.7Very high1 Ų128 Ų281%0.00515%0.146CC..Hα-helixtrans-66.1-46.8174.7-64.4173.8000109.4W24 T28 L73 P74 L75 X79 S80 Q81 L96 L99W24-I77 HydrophobicContact CE3-CG2 3.49Å; W24-I77 VanDerWaalsContact CE3-CG2 3.49Å; W24-I77 HydrophobicContact CZ3-CG2 3.8Å; T28-I77 HydrophobicContact CG2-CB 3.87Å; T28-I77 HydrophobicContact CG2-CG2 3.37Å; L73-I77 HydrophobicContact CD2-CD1 3.46Å; L73-I77 VanDerWaalsContact CD2-CD1 3.46Å; L73-I77 HydrophobicContact CD2-CG1 4.38Å; L73-I77 HydrophobicContact CG-CD1 4.02Å; L73-I77 HydrophobicContact CG-CG1 4.45Å; L73-I77 WeakPolarHBondContact O-CG1 3.28Å; L73-I77 PolarHBondContact O-N 3.37Å; P74-I77 PolarHBondContact O-N 2.92Å; L75-I77 VanDerWaalsContact C-N 3.32Å; L75-I77 PolarHBondContact O-N 3.4Å; I77-A79 VanDerWaalsContact C-N 3.31Å; I77-A79 PolarHBondContact O-N 2.67Å; I77-S80 PolarHBondContact O-N 2.88Å; I77-S80 PolarHBondContact O-OG 2.94Å; I77-Q81 VanDerWaalsContact O-CG 3.29Å; I77-Q81 WeakPolarHBondContact O-CG 3.48Å; I77-Q81 PolarHBondContact O-N 3.21Å; I77-Q81 PolarHBondContact O-NE2 3.45Å; I77-L96 HydrophobicContact CD1-CD2 4.23Å; I77-L96 HydrophobicContact CG1-CD2 3.86Å; I77-L96 HydrophobicContact CG2-CD2 4.01Å; I77-L99 HydrophobicContact CG1-CD1 4.47Å
78M97.2Very high95.8Very high31 Ų3128.7 Ų28.715%0.15315%0.153CC..Hα-helixtrans-60.1-40.7174.9-69.4-178.6-17100112T28 L32 P74 L75 R432T28-M78 HydrophobicContact CG2-CG 4.07Å; L32-M78 HydrophobicContact CD1-CE 4.24Å; P74-M78 WeakPolarHBondContact O-CG 3.46Å; P74-M78 PolarHBondContact O-N 2.93Å; L75-M78 PolarHBondContact O-N 3.42Å; M78-R432 WeakPolarHBondContact O-CD 3.41Å; M78-R432 PolarHBondContact O-NH1 3.04Å
79X97Very high95.7Very high1 Ų131.3 Ų31.31%0.00817%0.166CC..Hα-helixtrans-63.6-42.7-179.400000112.9L75 T76 I77 I225 M229 R432 L436L75-A79 WeakPolarHBondContact O-CB 3.3Å; L75-A79 PolarHBondContact O-N 2.89Å; T76-A79 PolarHBondContact O-N 3.02Å; I77-A79 VanDerWaalsContact C-N 3.31Å; I77-A79 PolarHBondContact O-N 2.67Å; A79-I225 HydrophobicContact CB-CG1 3.94Å; A79-I225 HydrophobicContact CB-CG2 3.87Å; A79-M229 HydrophobicContact CB-CE 4.46Å; A79-M229 HydrophobicContact CB-SD 3.59Å; A79-M229 VanDerWaalsContact CB-SD 3.59Å; A79-R432 PolarHBondContact O-NH1 3.36Å; A79-L436 HydrophobicContact CB-CD1 3.6Å
80S96Very high95.7Very high0 Ų034.4 Ų34.40%019%0.188CC..Hα-helixtrans-84.5-17.2-169.355.40000115.3T76 I77 R82 H83 L84 Y95T76-S80 WeakPolarHBondContact O-CB 3.33Å; T76-S80 PolarHBondContact O-N 3Å; T76-S80 PolarHBondContact O-OG 3.21Å; I77-S80 PolarHBondContact O-N 2.88Å; I77-S80 PolarHBondContact O-OG 2.94Å; S80-R82 VanDerWaalsContact C-N 3.26Å; S80-R82 PolarHBondContact O-N 3.07Å; S80-R82 VanDerWaalsContact O-N 3.16Å; S80-H83 WeakPolarHBondContact CA-NE2 3.31Å; S80-H83 WeakPolarHBondContact CB-NE2 3.43Å; S80-H83 PolarHBondContact O-CD2 3.15Å; S80-H83 VanDerWaalsContact O-CD2 3.23Å; S80-H83 PolarHBondContact O-NE2 3.03Å; S80-L84 WeakPolarHBondContact O-CB 3.48Å; S80-L84 WeakPolarHBondContact O-CG 3.38Å; S80-L84 PolarHBondContact O-N 3.42Å; S80-Y95 WeakPolarHBondContact CB-OH 3.46Å; S80-Y95 WeakPolarHBondContact OG-CE1 3.48Å
81Q93.8Very high95.7Very high50 Ų5038.6 Ų38.623%0.23420%0.204CC..THydrogen-bonded Turntrans-51.1-41.5-178.1-83.8166.524.500114.4W24 I77 S85W24-Q81 HydrophobicContact CB-CG 4.2Å; W24-Q81 HydrophobicContact CD2-CG 3.38Å; W24-Q81 HydrophobicContact CE3-CB 4.47Å; W24-Q81 HydrophobicContact CE3-CG 3.23Å; W24-Q81 HydrophobicContact CG-CG 3.81Å; W24-Q81 HydrophobicContact CH2-CG 4.24Å; W24-Q81 HydrophobicContact CZ2-CG 4.37Å; W24-Q81 HydrophobicContact CZ3-CG 3.67Å; I77-Q81 VanDerWaalsContact O-CG 3.29Å; I77-Q81 WeakPolarHBondContact O-CG 3.48Å; I77-Q81 PolarHBondContact O-N 3.21Å; I77-Q81 PolarHBondContact O-NE2 3.45Å; Q81-S85 PolarHBondContact O-N 3.31Å
82R92.8Very high95.6Very high119 Ų11937.9 Ų37.945%0.44920%0.202SC..THydrogen-bonded Turntrans-71.6-52.7-171.8-179.858.6-179.2170.39.2111.7S80 L84 S85 E335S80-R82 VanDerWaalsContact C-N 3.26Å; S80-R82 PolarHBondContact O-N 3.07Å; S80-R82 VanDerWaalsContact O-N 3.16Å; R82-L84 PolarHBondContact O-N 3.32Å; R82-S85 WeakPolarHBondContact O-CB 3.15Å; R82-S85 PolarHBondContact O-N 2.95Å; R82-S85 VanDerWaalsContact O-N 3.13Å; R82-S85 PolarHBondContact O-OG 2.84Å; R82-S85 VanDerWaalsContact O-OG 3.04Å; R82-E335 VanDerWaalsContact CG-OE2 3.3Å; R82-E335 WeakPolarHBondContact CG-OE2 3.48Å
83H91.8Very high95.6Very high50 Ų5038.6 Ų38.623%0.23120%0.204CC..THydrogen-bonded Turntrans-68.4-25.3-178.876.384.5000112.4S80 S85S80-H83 WeakPolarHBondContact CA-NE2 3.31Å; S80-H83 WeakPolarHBondContact CB-NE2 3.43Å; S80-H83 PolarHBondContact O-CD2 3.15Å; S80-H83 VanDerWaalsContact O-CD2 3.23Å; S80-H83 PolarHBondContact O-NE2 3.03Å; H83-S85 VanDerWaalsContact C-N 3.3Å
84L94.5Very high95.6Very high1 Ų141.9 Ų41.91%0.00522%0.222CC..THydrogen-bonded Turntrans-83-0.7175.5-66.2171.7000113.2W24 S80 R82 S86 E87 K92 Y95 W136W24-L84 HydrophobicContact CH2-CB 4.4Å; W24-L84 HydrophobicContact CH2-CD1 3.69Å; W24-L84 HydrophobicContact CZ2-CB 4.2Å; W24-L84 HydrophobicContact CZ2-CD1 4.26Å; S80-L84 WeakPolarHBondContact O-CB 3.48Å; S80-L84 WeakPolarHBondContact O-CG 3.38Å; S80-L84 PolarHBondContact O-N 3.42Å; R82-L84 PolarHBondContact O-N 3.32Å; L84-S86 PolarHBondContact O-N 3.25Å; L84-S86 VanDerWaalsContact O-N 3.13Å; L84-E87 HydrophobicContact CD2-CG 3.85Å; L84-E87 WeakPolarHBondContact O-CB 3.3Å; L84-E87 PolarHBondContact O-N 3.13Å; L84-K92 WeakPolarHBondContact O-CE 3.5Å; L84-K92 PolarHBondContact O-NZ 3.48Å; L84-Y95 HydrophobicContact CD1-CD1 3.29Å; L84-Y95 HydrophobicContact CD1-CD2 4.23Å; L84-Y95 HydrophobicContact CD1-CE1 3.44Å; L84-Y95 VanDerWaalsContact CD1-CE1 3.44Å; L84-Y95 HydrophobicContact CD1-CE2 4.33Å; L84-Y95 HydrophobicContact CD1-CG 3.68Å; L84-W136 HydrophobicContact CD2-CG 4.5Å
85S93.1Very high95.6Very high68 Ų6841.9 Ų41.948%0.47622%0.222SC..THydrogen-bonded Turntrans-58.1-34.1-172.9650000113.5Q81 R82 H83 K92Q81-S85 PolarHBondContact O-N 3.31Å; R82-S85 WeakPolarHBondContact O-CB 3.15Å; R82-S85 PolarHBondContact O-N 2.95Å; R82-S85 VanDerWaalsContact O-N 3.13Å; R82-S85 PolarHBondContact O-OG 2.84Å; R82-S85 VanDerWaalsContact O-OG 3.04Å; H83-S85 VanDerWaalsContact C-N 3.3Å; S85-K92 PolarHBondContact O-NZ 3Å
86S92.7Very high95.6Very high106 Ų10641.7 Ų41.774%0.74122%0.221SC*.THydrogen-bonded Turntrans-81.1-12.9178.952.30000114.6L84L84-S86 PolarHBondContact O-N 3.25Å; L84-S86 VanDerWaalsContact O-N 3.13Å
87E94Very high95.6Very high44 Ų4442.4 Ų42.421%0.20623%0.225CC..SBendtrans-72.2147.3-177.3-75.4-74.6143.200112.2L84 R91 K92L84-E87 HydrophobicContact CD2-CG 3.85Å; L84-E87 WeakPolarHBondContact O-CB 3.3Å; L84-E87 PolarHBondContact O-N 3.13Å; E87-R91 VanDerWaalsContact CD-NH1 3.26Å; E87-R91 IonicContact OE1-CZ 2.74Å; E87-R91 IonicContact OE1-NH1 3.44Å; E87-R91 PolarHBondContact OE1-NH1 3.45Å; E87-R91 WeakPolarHBondContact OE2-CB 3.42Å; E87-R91 WeakPolarHBondContact OE2-CD 3.49Å; E87-R91 IonicContact OE2-CZ 3.72Å; E87-R91 IonicContact OE2-NE 2.86Å; E87-R91 PolarHBondContact OE2-NE 2.89Å; E87-R91 VanDerWaalsContact OE2-NE 3.17Å; E87-R91 IonicContact OE2-NH1 2.94Å; E87-R91 PolarHBondContact OE2-NH1 3.09Å; E87-R91 IonicContact OE2-NH2 3.21Å; E87-K92 HydrophobicContact CB-CG 4.06Å; E87-K92 WeakPolarHBondContact O-CE 3.23Å; E87-K92 PolarHBondContact O-NZ 3.09Å
88P96.1Very high95.7Very high51 Ų5144.3 Ų44.333%0.33124%0.235SC..  trans-66.1157.6174.529.4-34.6000111.1S90 R91 K92P88-S90 VanDerWaalsContact C-N 3.33Å; P88-S90 PolarHBondContact O-N 2.84Å; P88-R91 VanDerWaalsContact CD-NE 3.27Å; P88-R91 VanDerWaalsContact CD-NH2 3.32Å; P88-R91 HydrophobicContact CG-CB 3.97Å; P88-R91 HydrophobicContact CG-CG 3.86Å; P88-R91 PolarHBondContact O-N 2.93Å; P88-R91 VanDerWaalsContact O-N 3.13Å; P88-K92 PolarHBondContact O-N 3.27Å
89L95.6Very high95.7Very high64 Ų6443 Ų4334%0.33523%0.228SC..Hα-helixtrans-57.9-42.5-171.7-171.961.6000113.4K20 I23 R91 K92 K93K20-L89 HydrophobicContact CB-CD1 4.22Å; K20-L89 HydrophobicContact CB-CD2 4.29Å; K20-L89 HydrophobicContact CG-CD1 3.87Å; K20-L89 HydrophobicContact CG-CD2 4.42Å; I23-L89 HydrophobicContact CD1-CD1 3.26Å; I23-L89 HydrophobicContact CD1-CG 4.31Å; L89-R91 PolarHBondContact O-N 3.45Å; L89-K92 PolarHBondContact O-N 3.24Å; L89-K93 WeakPolarHBondContact O-CG 3.46Å; L89-K93 PolarHBondContact O-N 2.96Å
90S96.7Very high95.7Very high69 Ų6943 Ų4348%0.48323%0.228SC..Hα-helixtrans-61.3-43.8178.453.80000111.6P88 K93 L94P88-S90 VanDerWaalsContact C-N 3.33Å; P88-S90 PolarHBondContact O-N 2.84Å; S90-K93 PolarHBondContact O-N 3.31Å; S90-L94 WeakPolarHBondContact O-CB 3.37Å; S90-L94 VanDerWaalsContact O-CG 3.32Å; S90-L94 WeakPolarHBondContact O-CG 3.25Å; S90-L94 PolarHBondContact O-N 2.69Å
91R96.4Very high95.8Very high89 Ų8944.7 Ų44.734%0.33624%0.24SC..Hα-helixtrans-67.1-36.1177.5-71-166.6-92.2155.9-5.3112.5E87 P88 L89 L94 Y95 W136E87-R91 VanDerWaalsContact CD-NH1 3.26Å; E87-R91 IonicContact OE1-CZ 2.74Å; E87-R91 IonicContact OE1-NH1 3.44Å; E87-R91 PolarHBondContact OE1-NH1 3.45Å; E87-R91 WeakPolarHBondContact OE2-CB 3.42Å; E87-R91 WeakPolarHBondContact OE2-CD 3.49Å; E87-R91 IonicContact OE2-CZ 3.72Å; E87-R91 IonicContact OE2-NE 2.86Å; E87-R91 PolarHBondContact OE2-NE 2.89Å; E87-R91 VanDerWaalsContact OE2-NE 3.17Å; E87-R91 IonicContact OE2-NH1 2.94Å; E87-R91 PolarHBondContact OE2-NH1 3.09Å; E87-R91 IonicContact OE2-NH2 3.21Å; P88-R91 VanDerWaalsContact CD-NE 3.27Å; P88-R91 VanDerWaalsContact CD-NH2 3.32Å; P88-R91 HydrophobicContact CG-CB 3.97Å; P88-R91 HydrophobicContact CG-CG 3.86Å; P88-R91 PolarHBondContact O-N 2.93Å; P88-R91 VanDerWaalsContact O-N 3.13Å; L89-R91 PolarHBondContact O-N 3.45Å; R91-L94 PolarHBondContact O-N 2.69Å; R91-Y95 WeakPolarHBondContact O-CB 3.43Å; R91-Y95 PolarHBondContact O-N 2.92Å; R91-W136 WeakPolarHBondContact O-CZ2 3.38Å
92K96.3Very high96Very high29 Ų2942.7 Ų42.713%0.12623%0.231CC..Hα-helixtrans-61.9-46.8171.6-73171.6172.5149.90112.2W24 L84 S85 E87 P88 L89 Y95 L96W24-K92 HydrophobicContact CZ2-CG 4.37Å; L84-K92 WeakPolarHBondContact O-CE 3.5Å; L84-K92 PolarHBondContact O-NZ 3.48Å; S85-K92 PolarHBondContact O-NZ 3Å; E87-K92 HydrophobicContact CB-CG 4.06Å; E87-K92 WeakPolarHBondContact O-CE 3.23Å; E87-K92 PolarHBondContact O-NZ 3.09Å; P88-K92 PolarHBondContact O-N 3.27Å; L89-K92 PolarHBondContact O-N 3.24Å; K92-Y95 PolarHBondContact O-N 3.25Å; K92-L96 PolarHBondContact O-N 3.05Å; K92-L96 VanDerWaalsContact O-N 3.13Å
93K97Very high96.2Very high25 Ų2537.2 Ų37.211%0.10921%0.211CC..Hα-helixtrans-63.4-43.3177.2-72.8-176.8172.1-171.40111.6T15 W16 S18 I23 L89 S90 Y95 L96 S97T15-K93 VanDerWaalsContact O-CE 3.26Å; T15-K93 WeakPolarHBondContact O-CE 3.47Å; W16-K93 HydrophobicContact CD2-CB 4.45Å; W16-K93 HydrophobicContact CD2-CD 4.5Å; W16-K93 HydrophobicContact CE3-CB 4.35Å; W16-K93 HydrophobicContact CE3-CD 4.03Å; W16-K93 HydrophobicContact CH2-CB 4.4Å; W16-K93 HydrophobicContact CZ2-CB 4.47Å; W16-K93 HydrophobicContact CZ3-CB 4.33Å; W16-K93 HydrophobicContact CZ3-CD 4.46Å; W16-K93 PolarHBondContact O-NZ 3.25Å; S18-K93 PolarHBondContact O-NZ 3.13Å; I23-K93 HydrophobicContact CD1-CD 4.43Å; I23-K93 VanDerWaalsContact CD1-CE 3.45Å; I23-K93 HydrophobicContact CD1-CG 4.1Å; L89-K93 WeakPolarHBondContact O-CG 3.46Å; L89-K93 PolarHBondContact O-N 2.96Å; S90-K93 PolarHBondContact O-N 3.31Å; K93-Y95 PolarHBondContact O-N 2.94Å; K93-L96 PolarHBondContact O-N 3.37Å; K93-S97 PolarHBondContact O-N 2.96Å; K93-S97 PolarHBondContact O-OG 3.49Å
94L97.6Very high96.5Very high77 Ų7736.2 Ų36.240%0.40321%0.207SC..Hα-helixtrans-58.8-47.9174.5-75168.2000111.4W16 S90 R91 L96 S97 M98 W136W16-L94 HydrophobicContact CH2-CD2 3.93Å; W16-L94 HydrophobicContact CH2-CG 4.1Å; W16-L94 HydrophobicContact CZ2-CD2 3.83Å; W16-L94 HydrophobicContact CZ2-CG 4.28Å; S90-L94 WeakPolarHBondContact O-CB 3.37Å; S90-L94 VanDerWaalsContact O-CG 3.32Å; S90-L94 WeakPolarHBondContact O-CG 3.25Å; S90-L94 PolarHBondContact O-N 2.69Å; R91-L94 PolarHBondContact O-N 2.69Å; L94-L96 VanDerWaalsContact C-N 3.34Å; L94-L96 PolarHBondContact O-N 3.06Å; L94-S97 WeakPolarHBondContact CA-OG 3.43Å; L94-S97 PolarHBondContact O-N 3.22Å; L94-S97 VanDerWaalsContact O-N 3.12Å; L94-S97 PolarHBondContact O-OG 3.1Å; L94-M98 WeakPolarHBondContact O-CG 3.18Å; L94-M98 PolarHBondContact O-N 3.11Å; L94-W136 HydrophobicContact CB-CH2 4.41Å; L94-W136 HydrophobicContact CB-CZ2 4.38Å
95Y97.5Very high96.6Very high0 Ų036.7 Ų36.70%021%0.21CC..Hα-helixtrans-55.1-48177.1-176.6-98.3000112.8S80 L84 R91 K92 K93 S97 M98 L99 I132 W136 P224 A226S80-Y95 WeakPolarHBondContact CB-OH 3.46Å; S80-Y95 WeakPolarHBondContact OG-CE1 3.48Å; L84-Y95 HydrophobicContact CD1-CD1 3.29Å; L84-Y95 HydrophobicContact CD1-CD2 4.23Å; L84-Y95 HydrophobicContact CD1-CE1 3.44Å; L84-Y95 VanDerWaalsContact CD1-CE1 3.44Å; L84-Y95 HydrophobicContact CD1-CE2 4.33Å; L84-Y95 HydrophobicContact CD1-CG 3.68Å; R91-Y95 WeakPolarHBondContact O-CB 3.43Å; R91-Y95 PolarHBondContact O-N 2.92Å; K92-Y95 PolarHBondContact O-N 3.25Å; K93-Y95 PolarHBondContact O-N 2.94Å; Y95-S97 PolarHBondContact O-N 3.47Å; Y95-M98 PolarHBondContact O-N 2.94Å; Y95-L99 HydrophobicContact CD1-CD1 3.95Å; Y95-L99 HydrophobicContact CD1-CG 4.47Å; Y95-L99 HydrophobicContact CE1-CD1 3.49Å; Y95-L99 VanDerWaalsContact CE1-CD1 3.49Å; Y95-L99 HydrophobicContact CE1-CG 4.19Å; Y95-L99 PolarHBondContact O-N 3.43Å; Y95-L99 VanDerWaalsContact O-N 3.08Å; Y95-I132 HydrophobicContact CE2-CG2 4.2Å; Y95-W136 HydrophobicContact CD2-CB 4.36Å; Y95-W136 AromaticContact CD2-CD2 3.43Å; Y95-W136 HydrophobicContact CD2-CD2 3.43Å; Y95-W136 VanDerWaalsContact CD2-CD2 3.43Å; Y95-W136 AromaticContact CD2-CE2 3.62Å; Y95-W136 AromaticContact CD2-CE3 3.69Å; Y95-W136 HydrophobicContact CD2-CE3 3.69Å; Y95-W136 AromaticContact CD2-CG 3.76Å; Y95-W136 HydrophobicContact CD2-CG 3.76Å; Y95-W136 HydrophobicContact CD2-CH2 4.23Å; Y95-W136 HydrophobicContact CD2-CZ2 4.04Å; Y95-W136 HydrophobicContact CD2-CZ3 4.07Å; Y95-W136 HydrophobicContact CE2-CB 4.16Å; Y95-W136 HydrophobicContact CE2-CD2 4.08Å; Y95-W136 HydrophobicContact CE2-CE3 4.28Å; Y95-W136 HydrophobicContact CE2-CG 4.05Å; Y95-W136 HydrophobicContact CG-CD2 4.41Å; Y95-W136 HydrophobicContact CG-CZ2 4.34Å; Y95-P224 HydrophobicContact CE2-CG 4.36Å; Y95-A226 HydrophobicContact CE1-CB 4.42Å; Y95-A226 WeakPolarHBondContact OH-CB 3.44Å
96L97.4Very high96.9Very high0 Ų033.7 Ų33.70%019%0.189CC..Hα-helixtrans-63.5-40.8177-71.8171.8000112.1T15 I23 W24 T27 I77 K92 K93 L94 M98 L99 I100T15-L96 HydrophobicContact CG2-CB 4.26Å; I23-L96 HydrophobicContact CG2-CD1 3.27Å; W24-L96 HydrophobicContact CE3-CD1 4.2Å; W24-L96 HydrophobicContact CE3-CD2 4.08Å; W24-L96 HydrophobicContact CH2-CD1 4.43Å; W24-L96 HydrophobicContact CH2-CD2 4.23Å; W24-L96 HydrophobicContact CH2-CG 4.33Å; W24-L96 HydrophobicContact CZ3-CD1 4.18Å; W24-L96 HydrophobicContact CZ3-CD2 3.59Å; W24-L96 HydrophobicContact CZ3-CG 4.12Å; T27-L96 HydrophobicContact CG2-CD1 4.39Å; I77-L96 HydrophobicContact CD1-CD2 4.23Å; I77-L96 HydrophobicContact CG1-CD2 3.86Å; I77-L96 HydrophobicContact CG2-CD2 4.01Å; K92-L96 PolarHBondContact O-N 3.05Å; K92-L96 VanDerWaalsContact O-N 3.13Å; K93-L96 PolarHBondContact O-N 3.37Å; L94-L96 VanDerWaalsContact C-N 3.34Å; L94-L96 PolarHBondContact O-N 3.06Å; L96-M98 VanDerWaalsContact C-N 3.27Å; L96-M98 PolarHBondContact O-N 3.28Å; L96-L99 PolarHBondContact O-N 3.47Å; L96-I100 WeakPolarHBondContact O-CD1 3.19Å; L96-I100 WeakPolarHBondContact O-CG1 3.38Å; L96-I100 PolarHBondContact O-N 3.15Å
97S97.9Very high97.1Very high15 Ų1528.6 Ų28.611%0.10515%0.153CC..Hα-helixtrans-62.9-33.4175.569.70000112.7K93 L94 Y95 I100 S101K93-S97 PolarHBondContact O-N 2.96Å; K93-S97 PolarHBondContact O-OG 3.49Å; L94-S97 WeakPolarHBondContact CA-OG 3.43Å; L94-S97 PolarHBondContact O-N 3.22Å; L94-S97 VanDerWaalsContact O-N 3.12Å; L94-S97 PolarHBondContact O-OG 3.1Å; Y95-S97 PolarHBondContact O-N 3.47Å; S97-I100 PolarHBondContact O-N 3.01Å; S97-S101 WeakPolarHBondContact O-CB 3.35Å; S97-S101 PolarHBondContact O-N 3.23Å; S97-S101 PolarHBondContact O-OG 2.72Å
98M97.9Very high97.2Very high42 Ų4227.8 Ų27.821%0.20715%0.15CC..Hα-helixtrans-70.4-37.1174.1-60.7-51-91.100112.2L94 Y95 L96 S101 L102 P128 A131 I132 W136L94-M98 WeakPolarHBondContact O-CG 3.18Å; L94-M98 PolarHBondContact O-N 3.11Å; Y95-M98 PolarHBondContact O-N 2.94Å; L96-M98 VanDerWaalsContact C-N 3.27Å; L96-M98 PolarHBondContact O-N 3.28Å; M98-S101 WeakPolarHBondContact CA-OG 3.32Å; M98-S101 PolarHBondContact O-OG 3.4Å; M98-S101 VanDerWaalsContact O-OG 3.06Å; M98-L102 WeakPolarHBondContact O-CB 3.44Å; M98-L102 PolarHBondContact O-N 3.43Å; M98-P128 HydrophobicContact CE-CB 4.45Å; M98-A131 HydrophobicContact CE-CB 3.24Å; M98-I132 HydrophobicContact CB-CD1 4.1Å; M98-I132 HydrophobicContact CB-CG1 3.94Å; M98-W136 HydrophobicContact CG-CH2 4.29Å; M98-W136 HydrophobicContact CG-CZ3 4.36Å
99L97.9Very high97.2Very high2 Ų225.3 Ų25.31%0.0113%0.134CC..Hα-helixtrans-66.2-39.2173-69.3177000112L73 I77 Y95 L96 L102 Q103 I132 A226L73-L99 HydrophobicContact CD1-CB 4.28Å; L73-L99 WeakPolarHBondContact CD1-O 3.32Å; I77-L99 HydrophobicContact CG1-CD1 4.47Å; Y95-L99 HydrophobicContact CD1-CD1 3.95Å; Y95-L99 HydrophobicContact CD1-CG 4.47Å; Y95-L99 HydrophobicContact CE1-CD1 3.49Å; Y95-L99 VanDerWaalsContact CE1-CD1 3.49Å; Y95-L99 HydrophobicContact CE1-CG 4.19Å; Y95-L99 PolarHBondContact O-N 3.43Å; Y95-L99 VanDerWaalsContact O-N 3.08Å; L96-L99 PolarHBondContact O-N 3.47Å; L99-L102 WeakPolarHBondContact O-CB 3.47Å; L99-Q103 PolarHBondContact O-N 3.24Å; L99-I132 HydrophobicContact CD2-CD1 3.72Å; L99-I132 HydrophobicContact CG-CD1 4.37Å; L99-A226 HydrophobicContact CD1-CB 4.15Å; L99-A226 HydrophobicContact CD2-CB 3.85Å
100I98Very high97.2Very high1 Ų122.3 Ų22.31%0.00512%0.118CC..Hα-helixtrans-70.9-44.1178.6-68.5159.2000111.1T8 L11 L12 T15 L73 L96 S97 L102 Q103 I104T8-I100 WeakPolarHBondContact O-CG2 3.43Å; L11-I100 HydrophobicContact CB-CD1 3.66Å; L11-I100 HydrophobicContact CB-CG1 4.06Å; L11-I100 HydrophobicContact CB-CG2 3.95Å; L11-I100 HydrophobicContact CD1-CG1 4.21Å; L12-I100 HydrophobicContact CD2-CB 4.01Å; L12-I100 HydrophobicContact CD2-CG2 3.75Å; L12-I100 HydrophobicContact CG-CG2 3.83Å; T15-I100 HydrophobicContact CG2-CD1 3.26Å; L73-I100 HydrophobicContact CD1-CG1 4.15Å; L96-I100 WeakPolarHBondContact O-CD1 3.19Å; L96-I100 WeakPolarHBondContact O-CG1 3.38Å; L96-I100 PolarHBondContact O-N 3.15Å; S97-I100 PolarHBondContact O-N 3.01Å; I100-L102 VanDerWaalsContact C-N 3.27Å; I100-L102 PolarHBondContact O-N 3.1Å; I100-Q103 WeakPolarHBondContact O-CB 3.35Å; I100-Q103 PolarHBondContact O-N 3.13Å; I100-Q103 VanDerWaalsContact O-N 3.13Å; I100-I104 HydrophobicContact CG2-CD1 3.89Å; I100-I104 HydrophobicContact CG2-CG1 4.47Å; I100-I104 VanDerWaalsContact O-CG1 3.3Å; I100-I104 WeakPolarHBondContact O-CG1 3.38Å; I100-I104 PolarHBondContact O-N 3.36Å
101S97.7Very high97.1Very high37 Ų3719 Ų1926%0.25910%0.095SC..Hα-helixtrans-62.3-37.917666.40000111.6S97 M98 I104 S105 P128S97-S101 WeakPolarHBondContact O-CB 3.35Å; S97-S101 PolarHBondContact O-N 3.23Å; S97-S101 PolarHBondContact O-OG 2.72Å; M98-S101 WeakPolarHBondContact CA-OG 3.32Å; M98-S101 PolarHBondContact O-OG 3.4Å; M98-S101 VanDerWaalsContact O-OG 3.06Å; S101-I104 PolarHBondContact O-N 3.37Å; S101-S105 PolarHBondContact O-N 3.28Å; S101-S105 PolarHBondContact O-OG 2.91Å; S101-P128 WeakPolarHBondContact OG-CG 3.43Å
102L97.9Very high97.1Very high7 Ų714.8 Ų14.84%0.0378%0.079CC..Hα-helixtrans-59.3-49170.8-177.2145.4000111.6M98 L99 I100 I104 S105 L106 P128 T129 I132 V230M98-L102 WeakPolarHBondContact O-CB 3.44Å; M98-L102 PolarHBondContact O-N 3.43Å; L99-L102 WeakPolarHBondContact O-CB 3.47Å; I100-L102 VanDerWaalsContact C-N 3.27Å; I100-L102 PolarHBondContact O-N 3.1Å; L102-I104 VanDerWaalsContact C-N 3.33Å; L102-I104 PolarHBondContact O-N 2.84Å; L102-S105 PolarHBondContact O-N 3.44Å; L102-S105 PolarHBondContact O-OG 2.67Å; L102-L106 HydrophobicContact CD2-CD1 3.41Å; L102-L106 VanDerWaalsContact CD2-CD1 3.41Å; L102-L106 HydrophobicContact CD2-CG 4.27Å; L102-L106 HydrophobicContact CG-CD1 4.24Å; L102-L106 WeakPolarHBondContact O-CG 3.39Å; L102-L106 PolarHBondContact O-N 3.03Å; L102-P128 HydrophobicContact CB-CB 3.8Å; L102-P128 HydrophobicContact CB-CG 4.35Å; L102-P128 HydrophobicContact CD1-CB 4.31Å; L102-T129 HydrophobicContact CD1-CG2 3.29Å; L102-T129 HydrophobicContact CG-CG2 4.49Å; L102-I132 HydrophobicContact CD1-CD1 4.34Å; L102-V230 HydrophobicContact CD1-CG1 3.79Å; L102-V230 HydrophobicContact CD2-CB 4.42Å; L102-V230 HydrophobicContact CD2-CG1 3.37Å; L102-V230 HydrophobicContact CD2-CG2 4.15Å; L102-V230 HydrophobicContact CG-CG1 4.18Å
103Q97.5Very high97Very high4 Ų413.5 Ų13.52%0.0197%0.073CC..Hα-helixtrans-59-44.6177.6175.3-179.635.900111.5T8 L73 L99 I100 L106 I107T8-Q103 HydrophobicContact CG2-CG 4.42Å; L73-Q103 HydrophobicContact CD1-CB 3.67Å; L73-Q103 HydrophobicContact CD1-CG 4.29Å; L73-Q103 VanDerWaalsContact CD1-OE1 3.25Å; L99-Q103 PolarHBondContact O-N 3.24Å; I100-Q103 WeakPolarHBondContact O-CB 3.35Å; I100-Q103 PolarHBondContact O-N 3.13Å; I100-Q103 VanDerWaalsContact O-N 3.13Å; Q103-L106 PolarHBondContact O-N 3.45Å; Q103-I107 HydrophobicContact CG-CD1 3.46Å; Q103-I107 VanDerWaalsContact CG-CD1 3.46Å; Q103-I107 HydrophobicContact CG-CG1 4.43Å; Q103-I107 WeakPolarHBondContact O-CD1 3.07Å; Q103-I107 WeakPolarHBondContact O-CG1 3.2Å; Q103-I107 PolarHBondContact O-N 2.87Å
104I97.3Very high96.9Very high30 Ų3016.6 Ų16.615%0.1549%0.088CC..Hα-helixtrans-58.9-50177.3-66160.2000109.7I9 L12 I100 S101 L102 L106 I107 M108I9-I104 HydrophobicContact CG1-CD1 3.89Å; I9-I104 HydrophobicContact CG1-CG1 4.32Å; I9-I104 HydrophobicContact CG1-CG2 4.5Å; L12-I104 HydrophobicContact CD1-CD1 4.3Å; I100-I104 HydrophobicContact CG2-CD1 3.89Å; I100-I104 HydrophobicContact CG2-CG1 4.47Å; I100-I104 VanDerWaalsContact O-CG1 3.3Å; I100-I104 WeakPolarHBondContact O-CG1 3.38Å; I100-I104 PolarHBondContact O-N 3.36Å; S101-I104 PolarHBondContact O-N 3.37Å; L102-I104 VanDerWaalsContact C-N 3.33Å; L102-I104 PolarHBondContact O-N 2.84Å; I104-L106 VanDerWaalsContact C-N 3.32Å; I104-L106 PolarHBondContact O-N 2.97Å; I104-I107 PolarHBondContact O-N 3.34Å; I104-M108 HydrophobicContact CG2-CG 4.46Å; I104-M108 WeakPolarHBondContact O-CG 3.39Å; I104-M108 PolarHBondContact O-N 2.96Å; I104-M108 VanDerWaalsContact O-N 3.12Å
105S97.4Very high96.7Very high10 Ų1013.1 Ų13.17%0.077%0.07CC..Hα-helixtrans-58.1-43.9178.666.30000111.8S101 L102 M108 T109 T124 T125S101-S105 PolarHBondContact O-N 3.28Å; S101-S105 PolarHBondContact O-OG 2.91Å; L102-S105 PolarHBondContact O-N 3.44Å; L102-S105 PolarHBondContact O-OG 2.67Å; S105-M108 PolarHBondContact O-N 3.39Å; S105-T109 WeakPolarHBondContact O-CG2 3.39Å; S105-T109 PolarHBondContact O-N 3.31Å; S105-T124 WeakPolarHBondContact CB-OG1 3.45Å; S105-T125 WeakPolarHBondContact OG-CG2 3.41Å
106L97.6Very high96.7Very high5 Ų515.3 Ų15.33%0.0268%0.082CC..Hα-helixtrans-64.6-44.5-179.9-74.2173.3000113.3T69 L102 Q103 I104 M108 T109 F110 T125 V230 V234 L235 L238T69-L106 HydrophobicContact CG2-CB 4.32Å; L102-L106 HydrophobicContact CD2-CD1 3.41Å; L102-L106 VanDerWaalsContact CD2-CD1 3.41Å; L102-L106 HydrophobicContact CD2-CG 4.27Å; L102-L106 HydrophobicContact CG-CD1 4.24Å; L102-L106 WeakPolarHBondContact O-CG 3.39Å; L102-L106 PolarHBondContact O-N 3.03Å; Q103-L106 PolarHBondContact O-N 3.45Å; I104-L106 VanDerWaalsContact C-N 3.32Å; I104-L106 PolarHBondContact O-N 2.97Å; L106-M108 PolarHBondContact O-N 3.43Å; L106-T109 VanDerWaalsContact C-OG1 3.3Å; L106-T109 VanDerWaalsContact CA-OG1 3.31Å; L106-T109 WeakPolarHBondContact CA-OG1 3.4Å; L106-T109 PolarHBondContact O-N 2.82Å; L106-T109 VanDerWaalsContact O-N 3.13Å; L106-T109 PolarHBondContact O-OG1 3.13Å; L106-F110 HydrophobicContact CD2-CE2 4.42Å; L106-F110 WeakPolarHBondContact O-CD2 3.49Å; L106-F110 PolarHBondContact O-N 3.34Å; L106-F110 VanDerWaalsContact O-N 3.09Å; L106-T125 HydrophobicContact CD2-CG2 3.79Å; L106-T125 HydrophobicContact CG-CG2 4.25Å; L106-V230 HydrophobicContact CD1-CG1 4.44Å; L106-V234 HydrophobicContact CD1-CB 4.23Å; L106-V234 HydrophobicContact CD1-CG1 3.8Å; L106-V234 HydrophobicContact CD2-CG1 3.77Å; L106-V234 HydrophobicContact CG-CG1 4.32Å; L106-L235 HydrophobicContact CD2-CD2 3.97Å; L106-L238 HydrophobicContact CD2-CD1 3.8Å; L106-L238 HydrophobicContact CD2-CD2 4.12Å; L106-L238 HydrophobicContact CD2-CG 4.2Å
107I97.1Very high96.6Very high0 Ų017.3 Ų17.30%09%0.091CC..Hα-helixtrans-59.7-41.4177.3-74.3157.4000110.5L4 I5 T8 L66 T70 Q103 I104 T111L4-I107 HydrophobicContact CD2-CB 4.05Å; L4-I107 HydrophobicContact CD2-CD1 3.47Å; L4-I107 VanDerWaalsContact CD2-CD1 3.47Å; L4-I107 HydrophobicContact CD2-CG1 3.78Å; L4-I107 HydrophobicContact CD2-CG2 3.17Å; I5-I107 HydrophobicContact CG1-CG2 3.98Å; T8-I107 HydrophobicContact CG2-CD1 3.8Å; L66-I107 HydrophobicContact CD2-CB 4.39Å; L66-I107 HydrophobicContact CD2-CG1 4.33Å; L66-I107 HydrophobicContact CD2-CG2 4.33Å; T70-I107 HydrophobicContact CG2-CD1 3.82Å; T70-I107 HydrophobicContact CG2-CG1 4.21Å; Q103-I107 HydrophobicContact CG-CD1 3.46Å; Q103-I107 VanDerWaalsContact CG-CD1 3.46Å; Q103-I107 HydrophobicContact CG-CG1 4.43Å; Q103-I107 WeakPolarHBondContact O-CD1 3.07Å; Q103-I107 WeakPolarHBondContact O-CG1 3.2Å; Q103-I107 PolarHBondContact O-N 2.87Å; I104-I107 PolarHBondContact O-N 3.34Å; I107-T111 WeakPolarHBondContact O-CB 3.5Å; I107-T111 VanDerWaalsContact O-CG2 3.29Å; I107-T111 WeakPolarHBondContact O-CG2 3.24Å; I107-T111 PolarHBondContact O-N 3.17Å; I107-T111 PolarHBondContact O-OG1 2.92Å
108M96.4Very high96.6Very high26 Ų2617 Ų1713%0.1289%0.088CC..Hα-helixtrans-68.1-38.1177.1-60.9-72.4-77.200111.3I5 F56 I104 S105 L106 T111 A112 F121I5-M108 HydrophobicContact CD1-CE 4.44Å; I5-M108 HydrophobicContact CD1-SD 3.21Å; I5-M108 WeakPolarHBondContact CD1-SD 3.29Å; I5-M108 HydrophobicContact CG1-SD 3.61Å; I5-M108 HydrophobicContact CG2-SD 4.17Å; F56-M108 HydrophobicContact CE1-CE 3.55Å; F56-M108 HydrophobicContact CE1-SD 3.59Å; F56-M108 VanDerWaalsContact CE1-SD 3.59Å; F56-M108 HydrophobicContact CE2-CE 4.43Å; F56-M108 HydrophobicContact CZ-CE 3.26Å; F56-M108 HydrophobicContact CZ-SD 3.64Å; I104-M108 HydrophobicContact CG2-CG 4.46Å; I104-M108 WeakPolarHBondContact O-CG 3.39Å; I104-M108 PolarHBondContact O-N 2.96Å; I104-M108 VanDerWaalsContact O-N 3.12Å; S105-M108 PolarHBondContact O-N 3.39Å; L106-M108 PolarHBondContact O-N 3.43Å; M108-T111 PolarHBondContact O-N 2.95Å; M108-T111 PolarHBondContact O-OG1 3.19Å; M108-A112 WeakPolarHBondContact O-CB 3.43Å; M108-A112 PolarHBondContact O-N 3.4Å; M108-F121 HydrophobicContact CB-CB 4.42Å; M108-F121 HydrophobicContact CB-CD1 4Å; M108-F121 HydrophobicContact CB-CD2 3.66Å; M108-F121 HydrophobicContact CB-CE1 4.16Å; M108-F121 HydrophobicContact CB-CE2 3.8Å; M108-F121 HydrophobicContact CB-CG 3.78Å; M108-F121 HydrophobicContact CB-CZ 4.08Å; M108-F121 HydrophobicContact CE-CE1 4.11Å; M108-F121 HydrophobicContact CE-CE2 3.75Å; M108-F121 HydrophobicContact CE-CZ 3.39Å
109T97.2Very high96.5Very high0 Ų015.9 Ų15.90%08%0.082CC..Hα-helixtrans-59.4-51.7175.9560000112.7S105 L106 T111 F118 F121 F122 T125 L238S105-T109 WeakPolarHBondContact O-CG2 3.39Å; S105-T109 PolarHBondContact O-N 3.31Å; L106-T109 VanDerWaalsContact C-OG1 3.3Å; L106-T109 VanDerWaalsContact CA-OG1 3.31Å; L106-T109 WeakPolarHBondContact CA-OG1 3.4Å; L106-T109 PolarHBondContact O-N 2.82Å; L106-T109 VanDerWaalsContact O-N 3.13Å; L106-T109 PolarHBondContact O-OG1 3.13Å; T109-T111 PolarHBondContact O-N 3.04Å; T109-F118 WeakPolarHBondContact O-CD2 3.38Å; T109-F121 HydrophobicContact CG2-CB 3.44Å; T109-F121 VanDerWaalsContact CG2-CB 3.44Å; T109-F121 WeakPolarHBondContact CG2-O 3.15Å; T109-F122 HydrophobicContact CG2-CB 4.34Å; T109-F122 VanDerWaalsContact CG2-N 3.3Å; T109-T125 HydrophobicContact CG2-CG2 4.01Å; T109-L238 HydrophobicContact CG2-CD2 4.41Å; T109-L238 WeakPolarHBondContact OG1-CD2 3.49Å
110F95.5Very high96.5Very high1 Ų120.1 Ų20.10%0.00410%0.103CC..Hα-helixtrans-68.7-22.1-176.7-68-62000112.4T62 L65 L66 T69 L106 V234 L238 Y241T62-F110 WeakPolarHBondContact CG2-O 3.49Å; L65-F110 HydrophobicContact CB-CD1 4.01Å; L65-F110 HydrophobicContact CB-CD2 4.43Å; L65-F110 HydrophobicContact CB-CE1 3.98Å; L65-F110 HydrophobicContact CB-CE2 4.42Å; L65-F110 HydrophobicContact CB-CG 4.25Å; L65-F110 HydrophobicContact CB-CZ 4.18Å; L65-F110 HydrophobicContact CD1-CD1 3.87Å; L65-F110 HydrophobicContact CD1-CE1 3.63Å; L65-F110 HydrophobicContact CD1-CZ 4.44Å; L65-F110 HydrophobicContact CG-CE1 4.3Å; L66-F110 HydrophobicContact CD2-CB 3.94Å; L66-F110 HydrophobicContact CG-CB 4.03Å; T69-F110 HydrophobicContact CG2-CD2 3.77Å; T69-F110 HydrophobicContact CG2-CE2 3.39Å; T69-F110 HydrophobicContact CG2-CZ 4.46Å; L106-F110 HydrophobicContact CD2-CE2 4.42Å; L106-F110 WeakPolarHBondContact O-CD2 3.49Å; L106-F110 PolarHBondContact O-N 3.34Å; L106-F110 VanDerWaalsContact O-N 3.09Å; F110-V234 HydrophobicContact CE2-CG1 3.57Å; F110-V234 HydrophobicContact CZ-CG1 3.75Å; F110-L238 HydrophobicContact CD1-CD2 4.36Å; F110-L238 HydrophobicContact CE1-CD2 3.65Å; F110-L238 HydrophobicContact CE2-CD2 3.96Å; F110-L238 HydrophobicContact CZ-CD2 3.42Å; F110-L238 VanDerWaalsContact CZ-CD2 3.42Å; F110-L238 HydrophobicContact CZ-CG 4.15Å; F110-Y241 HydrophobicContact CD1-CD1 4.11Å; F110-Y241 AromaticContact CD1-CD2 3.77Å; F110-Y241 HydrophobicContact CD1-CD2 3.77Å; F110-Y241 HydrophobicContact CD1-CE1 4.49Å; F110-Y241 HydrophobicContact CD1-CE2 4.27Å; F110-Y241 AromaticContact CD1-CG 3.74Å; F110-Y241 HydrophobicContact CD1-CG 3.74Å; F110-Y241 HydrophobicContact CE1-CD1 4.44Å; F110-Y241 HydrophobicContact CE1-CD2 4.25Å; F110-Y241 AromaticContact CE1-CG 3.92Å; F110-Y241 HydrophobicContact CE1-CG 3.92Å; F110-Y241 PolarHBondContact O-OH 3.49Å; F110-Y241 VanDerWaalsContact O-OH 3.1Å
111T94.7Very high96.5Very high0 Ų022.3 Ų22.30%011%0.113CC..Hα-helixtrans-100.7-10.9-174.354.70000114.7M1 F56 S57 L66 I107 M108 T109 T113M1-T111 HydrophobicContact CB-CG2 4.38Å; M1-T111 HydrophobicContact CE-CG2 3.2Å; M1-T111 HydrophobicContact CG-CG2 3.63Å; M1-T111 HydrophobicContact SD-CG2 4.11Å; F56-T111 VanDerWaalsContact CA-O 3.26Å; F56-T111 WeakPolarHBondContact CA-O 3.07Å; F56-T111 WeakPolarHBondContact CD1-OG1 3.47Å; S57-T111 PolarHBondContact N-O 3.44Å; S57-T111 WeakPolarHBondContact O-CA 3.26Å; L66-T111 HydrophobicContact CD1-CG2 3.6Å; L66-T111 HydrophobicContact CD2-CG2 3.82Å; L66-T111 HydrophobicContact CG-CG2 4.26Å; I107-T111 WeakPolarHBondContact O-CB 3.5Å; I107-T111 VanDerWaalsContact O-CG2 3.29Å; I107-T111 WeakPolarHBondContact O-CG2 3.24Å; I107-T111 PolarHBondContact O-N 3.17Å; I107-T111 PolarHBondContact O-OG1 2.92Å; M108-T111 PolarHBondContact O-N 2.95Å; M108-T111 PolarHBondContact O-OG1 3.19Å; T109-T111 PolarHBondContact O-N 3.04Å; T111-T113 PolarHBondContact O-N 3.24Å
112A95.6Very high96.5Very high0 Ų020.6 Ų20.60%010%0.101CC..BIsolated β-bridgetrans-59124.2-17900000111.1M108 M117 F118M108-A112 WeakPolarHBondContact O-CB 3.43Å; M108-A112 PolarHBondContact O-N 3.4Å; A112-M117 HydrophobicContact CB-CB 4.33Å; A112-M117 HydrophobicContact CB-CG 4.11Å; A112-M117 HydrophobicContact CB-SD 4.34Å; A112-F118 HydrophobicContact CB-CB 3.93Å
113T93.8Very high96.4Very high1 Ų121.3 Ų21.31%0.00610%0.104CC..SBendtrans-79.8-35.517648.20000112.5P54 T55 S57 T111 I176P54-T113 WeakPolarHBondContact O-CB 3.21Å; P54-T113 PolarHBondContact O-OG1 3.29Å; T55-T113 VanDerWaalsContact CA-OG1 3.28Å; T55-T113 WeakPolarHBondContact CA-OG1 3.23Å; T55-T113 PolarHBondContact O-N 3.27Å; T55-T113 PolarHBondContact O-OG1 2.93Å; S57-T113 WeakPolarHBondContact OG-CG2 3.49Å; T111-T113 PolarHBondContact O-N 3.24Å; T113-I176 WeakPolarHBondContact O-CB 2.88Å; T113-I176 WeakPolarHBondContact O-CD1 3.23Å; T113-I176 WeakPolarHBondContact O-CG1 3.2Å; T113-I176 PolarHBondContact O-N 3.41Å
114E94.6Very high96.4Very high90 Ų9023.4 Ų23.442%0.42112%0.117SC..BIsolated β-bridgetrans-93.3133.7178.8-66-173.2166.900111.2I116 M117 F118 L174 N175E114-I116 VanDerWaalsContact C-N 3.34Å; E114-I116 PolarHBondContact O-N 3.15Å; E114-M117 HydrophobicContact CB-CB 4.14Å; E114-M117 WeakPolarHBondContact O-CB 3.38Å; E114-M117 PolarHBondContact O-N 3.5Å; E114-M117 VanDerWaalsContact O-N 3.13Å; E114-F118 PolarHBondContact O-N 3.2Å; E114-L174 WeakPolarHBondContact CA-O 3.46Å; E114-N175 HydrophobicContact CG-CB 4.47Å
115L94.8Very high96.4Very high4 Ų422 Ų222%0.02111%0.11CC..Hα-helixtrans-65.4-31.6-176.4-66.5174.2000113.9F118 Y119 L164 L174 I176 L179 R245 L246 I249L115-F118 WeakPolarHBondContact O-CB 3.35Å; L115-F118 PolarHBondContact O-N 3.32Å; L115-Y119 PolarHBondContact O-N 3.42Å; L115-L164 HydrophobicContact CB-CD1 4.37Å; L115-L164 HydrophobicContact CB-CD2 3.67Å; L115-L164 HydrophobicContact CD1-CD2 3.94Å; L115-L164 HydrophobicContact CG-CD2 4.44Å; L115-L174 HydrophobicContact CB-CB 4.28Å; L115-L174 PolarHBondContact N-O 3.47Å; L115-I176 HydrophobicContact CD2-CD1 4.16Å; L115-I176 HydrophobicContact CD2-CG1 3.89Å; L115-I176 HydrophobicContact CG-CG1 4.2Å; L115-L179 HydrophobicContact CD1-CD1 3.48Å; L115-L179 VanDerWaalsContact CD1-CD1 3.48Å; L115-L179 HydrophobicContact CG-CD1 4.17Å; L115-R245 HydrophobicContact CD2-CB 4.4Å; L115-L246 HydrophobicContact CD1-CD2 3.7Å; L115-L246 HydrophobicContact CD2-CD2 4.05Å; L115-L246 HydrophobicContact CG-CD2 4.49Å; L115-I249 HydrophobicContact CD1-CD1 3.77Å
116I96.4Very high96.4Very high47 Ų4722 Ų2224%0.24111%0.109CC..Hα-helixtrans-66.7-42172.8-76.4163.8000110.7E114 F118 Y119 I120 L164 H168 L174E114-I116 VanDerWaalsContact C-N 3.34Å; E114-I116 PolarHBondContact O-N 3.15Å; I116-F118 VanDerWaalsContact C-N 3.32Å; I116-F118 PolarHBondContact O-N 2.92Å; I116-Y119 WeakPolarHBondContact O-CB 3.49Å; I116-Y119 PolarHBondContact O-N 3.07Å; I116-I120 HydrophobicContact CG2-CD1 3.96Å; I116-I120 HydrophobicContact CG2-CG1 4.47Å; I116-I120 WeakPolarHBondContact O-CG1 3.5Å; I116-I120 PolarHBondContact O-N 2.93Å; I116-L164 HydrophobicContact CG1-CB 4.3Å; I116-H168 HydrophobicContact CD1-CB 4.48Å; I116-L174 HydrophobicContact CB-CD1 4.3Å; I116-L174 HydrophobicContact CD1-CD1 3.33Å; I116-L174 HydrophobicContact CG1-CD1 3.36Å
117M96.2Very high96.4Very high42 Ų4227.5 Ų27.521%0.20714%0.137CC..Hα-helixtrans-63.5-42.3176-176.4-177.2-62.700110.8T55 F56 A112 E114 Y119 I120 F121T55-M117 HydrophobicContact CG2-CE 4.08Å; F56-M117 HydrophobicContact CE1-SD 4.45Å; A112-M117 HydrophobicContact CB-CB 4.33Å; A112-M117 HydrophobicContact CB-CG 4.11Å; A112-M117 HydrophobicContact CB-SD 4.34Å; E114-M117 HydrophobicContact CB-CB 4.14Å; E114-M117 WeakPolarHBondContact O-CB 3.38Å; E114-M117 PolarHBondContact O-N 3.5Å; E114-M117 VanDerWaalsContact O-N 3.13Å; M117-Y119 VanDerWaalsContact C-N 3.32Å; M117-Y119 PolarHBondContact O-N 3.02Å; M117-I120 PolarHBondContact O-N 2.77Å; M117-F121 HydrophobicContact CG-CD2 3.68Å; M117-F121 HydrophobicContact CG-CE2 3.28Å; M117-F121 HydrophobicContact CG-CZ 4.21Å; M117-F121 VanDerWaalsContact O-CD2 3.22Å; M117-F121 WeakPolarHBondContact O-CD2 3.48Å; M117-F121 PolarHBondContact O-N 3.16Å; M117-F121 HydrophobicContact SD-CE2 3.77Å
118F96.7Very high96.4Very high7 Ų728 Ų283%0.03114%0.14CC..Hα-helixtrans-54.7-47.9170.9164.9-98.8000111.3T109 A112 E114 L115 I116 F121 F122 F203 Y241T109-F118 WeakPolarHBondContact O-CD2 3.38Å; A112-F118 HydrophobicContact CB-CB 3.93Å; E114-F118 PolarHBondContact O-N 3.2Å; L115-F118 WeakPolarHBondContact O-CB 3.35Å; L115-F118 PolarHBondContact O-N 3.32Å; I116-F118 VanDerWaalsContact C-N 3.32Å; I116-F118 PolarHBondContact O-N 2.92Å; F118-F121 PolarHBondContact O-N 3.35Å; F118-F122 HydrophobicContact CE1-CB 4.46Å; F118-F122 HydrophobicContact CE2-CB 4.48Å; F118-F122 HydrophobicContact CZ-CB 4.3Å; F118-F122 HydrophobicContact CZ-CD2 4.14Å; F118-F122 HydrophobicContact CZ-CG 4.42Å; F118-F122 WeakPolarHBondContact O-CB 3.19Å; F118-F122 PolarHBondContact O-N 2.79Å; F118-F203 AromaticContact CE1-CE1 3.65Å; F118-F203 HydrophobicContact CE1-CE1 3.65Å; F118-F203 AromaticContact CE1-CZ 3.6Å; F118-F203 HydrophobicContact CE1-CZ 3.6Å; F118-F203 AromaticContact CZ-CE1 3.83Å; F118-F203 HydrophobicContact CZ-CE1 3.83Å; F118-F203 HydrophobicContact CZ-CZ 4.13Å; F118-Y241 HydrophobicContact CD2-CD1 4.11Å; F118-Y241 AromaticContact CD2-CE1 3.66Å; F118-Y241 HydrophobicContact CD2-CE1 3.66Å; F118-Y241 AromaticContact CE2-CD1 3.41Å; F118-Y241 HydrophobicContact CE2-CD1 3.41Å; F118-Y241 VanDerWaalsContact CE2-CD1 3.41Å; F118-Y241 AromaticContact CE2-CE1 3.46Å; F118-Y241 HydrophobicContact CE2-CE1 3.46Å; F118-Y241 VanDerWaalsContact CE2-CE1 3.46Å; F118-Y241 HydrophobicContact CZ-CD1 4Å; F118-Y241 HydrophobicContact CZ-CE1 4.31Å
119Y97.4Very high96.4Very high19 Ų1927 Ų278%0.07514%0.136CC..Hα-helixtrans-60-48177.9171.2-97.6000112.7L115 I116 M117 F121 F122 E123 S157 L160 L161 L164L115-Y119 PolarHBondContact O-N 3.42Å; I116-Y119 WeakPolarHBondContact O-CB 3.49Å; I116-Y119 PolarHBondContact O-N 3.07Å; M117-Y119 VanDerWaalsContact C-N 3.32Å; M117-Y119 PolarHBondContact O-N 3.02Å; Y119-F121 VanDerWaalsContact C-N 3.34Å; Y119-F121 PolarHBondContact O-N 3.26Å; Y119-F122 WeakPolarHBondContact O-CB 3.4Å; Y119-F122 PolarHBondContact O-N 3.29Å; Y119-E123 HydrophobicContact CD2-CG 4.21Å; Y119-E123 HydrophobicContact CE1-CG 4.12Å; Y119-E123 HydrophobicContact CE2-CG 3.71Å; Y119-E123 PolarHBondContact O-N 3.4Å; Y119-S157 WeakPolarHBondContact CE2-O 3.32Å; Y119-L160 HydrophobicContact CD2-CD2 3.31Å; Y119-L160 HydrophobicContact CE2-CD2 3.88Å; Y119-L160 HydrophobicContact CG-CD2 4.14Å; Y119-L161 HydrophobicContact CD1-CB 4.48Å; Y119-L161 HydrophobicContact CD1-CD1 3.77Å; Y119-L161 HydrophobicContact CE1-CB 3.88Å; Y119-L161 HydrophobicContact CE1-CD1 3.65Å; Y119-L161 HydrophobicContact CE1-CD2 3.95Å; Y119-L161 HydrophobicContact CE1-CG 4.02Å; Y119-L161 HydrophobicContact CE2-CB 4.09Å; Y119-L164 HydrophobicContact CG-CD1 4.49Å
120I97.9Very high96.4Very high91 Ų9129.2 Ų29.247%0.46715%0.147SC..Hα-helixtrans-57.9-50.2179.8-68.3166.8000109.5I116 M117 F122 E123 T124I116-I120 HydrophobicContact CG2-CD1 3.96Å; I116-I120 HydrophobicContact CG2-CG1 4.47Å; I116-I120 WeakPolarHBondContact O-CG1 3.5Å; I116-I120 PolarHBondContact O-N 2.93Å; M117-I120 PolarHBondContact O-N 2.77Å; I120-F122 VanDerWaalsContact C-N 3.33Å; I120-F122 PolarHBondContact O-N 3.38Å; I120-E123 PolarHBondContact O-N 2.88Å; I120-T124 HydrophobicContact CG2-CG2 4.26Å; I120-T124 WeakPolarHBondContact O-CG2 3.22Å; I120-T124 PolarHBondContact O-N 2.99Å
121F97.3Very high96.5Very high47 Ų4730.2 Ų30.221%0.20616%0.156CC..Hα-helixtrans-66.2-37.2178.9-66.6-48.7000112.2M108 T109 M117 F118 Y119 E123 T124 T125M108-F121 HydrophobicContact CB-CB 4.42Å; M108-F121 HydrophobicContact CB-CD1 4Å; M108-F121 HydrophobicContact CB-CD2 3.66Å; M108-F121 HydrophobicContact CB-CE1 4.16Å; M108-F121 HydrophobicContact CB-CE2 3.8Å; M108-F121 HydrophobicContact CB-CG 3.78Å; M108-F121 HydrophobicContact CB-CZ 4.08Å; M108-F121 HydrophobicContact CE-CE1 4.11Å; M108-F121 HydrophobicContact CE-CE2 3.75Å; M108-F121 HydrophobicContact CE-CZ 3.39Å; T109-F121 HydrophobicContact CG2-CB 3.44Å; T109-F121 VanDerWaalsContact CG2-CB 3.44Å; T109-F121 WeakPolarHBondContact CG2-O 3.15Å; M117-F121 HydrophobicContact CG-CD2 3.68Å; M117-F121 HydrophobicContact CG-CE2 3.28Å; M117-F121 HydrophobicContact CG-CZ 4.21Å; M117-F121 VanDerWaalsContact O-CD2 3.22Å; M117-F121 WeakPolarHBondContact O-CD2 3.48Å; M117-F121 PolarHBondContact O-N 3.16Å; M117-F121 HydrophobicContact SD-CE2 3.77Å; F118-F121 PolarHBondContact O-N 3.35Å; Y119-F121 VanDerWaalsContact C-N 3.34Å; Y119-F121 PolarHBondContact O-N 3.26Å; F121-E123 VanDerWaalsContact C-N 3.34Å; F121-E123 PolarHBondContact O-N 3.35Å; F121-T124 WeakPolarHBondContact CA-OG1 3.19Å; F121-T124 PolarHBondContact O-N 2.98Å; F121-T124 VanDerWaalsContact O-N 3.14Å; F121-T124 PolarHBondContact O-OG1 2.78Å; F121-T125 WeakPolarHBondContact O-CG2 3.41Å; F121-T125 PolarHBondContact O-N 3.26Å; F121-T125 VanDerWaalsContact O-N 3.17Å
122F97Very high96.7Very high1 Ų130.3 Ų30.30%0.00416%0.157CC..Hα-helixtrans-59.5-44.9178.1166.4-95.6000111.1T109 F118 Y119 I120 T125 F203 K206 L238T109-F122 HydrophobicContact CG2-CB 4.34Å; T109-F122 VanDerWaalsContact CG2-N 3.3Å; F118-F122 HydrophobicContact CE1-CB 4.46Å; F118-F122 HydrophobicContact CE2-CB 4.48Å; F118-F122 HydrophobicContact CZ-CB 4.3Å; F118-F122 HydrophobicContact CZ-CD2 4.14Å; F118-F122 HydrophobicContact CZ-CG 4.42Å; F118-F122 WeakPolarHBondContact O-CB 3.19Å; F118-F122 PolarHBondContact O-N 2.79Å; Y119-F122 WeakPolarHBondContact O-CB 3.4Å; Y119-F122 PolarHBondContact O-N 3.29Å; I120-F122 VanDerWaalsContact C-N 3.33Å; I120-F122 PolarHBondContact O-N 3.38Å; F122-T125 PolarHBondContact O-N 3.07Å; F122-T125 PolarHBondContact O-OG1 3.43Å; F122-F203 HydrophobicContact CE2-CD1 4.2Å; F122-F203 HydrophobicContact CE2-CE1 4.17Å; F122-F203 HydrophobicContact CZ-CD1 4.15Å; F122-F203 HydrophobicContact CZ-CE1 4.19Å; F122-K206 HydrophobicContact CE2-CD 4.14Å; F122-K206 HydrophobicContact CE2-CG 3.75Å; F122-K206 HydrophobicContact CZ-CD 3.99Å; F122-K206 HydrophobicContact CZ-CG 3.48Å; F122-K206 VanDerWaalsContact CZ-CG 3.48Å; F122-L238 HydrophobicContact CD2-CB 4.03Å; F122-L238 HydrophobicContact CD2-CD1 4.18Å; F122-L238 HydrophobicContact CE2-CB 4.02Å
123E96.9Very high96.7Very high23 Ų2330.4 Ų30.411%0.10716%0.157CC..Hα-helixtrans-71-35.7174.2-70.9-57.7134.800112.1Y119 I120 F121 T125 L126 S157Y119-E123 HydrophobicContact CD2-CG 4.21Å; Y119-E123 HydrophobicContact CE1-CG 4.12Å; Y119-E123 HydrophobicContact CE2-CG 3.71Å; Y119-E123 PolarHBondContact O-N 3.4Å; I120-E123 PolarHBondContact O-N 2.88Å; F121-E123 VanDerWaalsContact C-N 3.34Å; F121-E123 PolarHBondContact O-N 3.35Å; E123-T125 PolarHBondContact O-N 3.2Å; E123-T125 VanDerWaalsContact O-N 3.12Å; E123-L126 WeakPolarHBondContact O-CB 3.43Å; E123-L126 WeakPolarHBondContact O-CG 3.49Å; E123-L126 PolarHBondContact O-N 3.36Å; E123-L126 WeakPolarHBondContact OE2-CD1 3.37Å; E123-S157 WeakPolarHBondContact OE1-CB 3.06Å; E123-S157 PolarHBondContact OE1-OG 3.09Å; E123-S157 PolarHBondContact OE2-OG 3.45Å
124T97.2Very high96.9Very high47 Ų4731.8 Ų31.829%0.28817%0.166SC..Hα-helixtrans-59.7-27.5176.869.50000113S105 I120 F121 L126 I127 P128S105-T124 WeakPolarHBondContact CB-OG1 3.45Å; I120-T124 HydrophobicContact CG2-CG2 4.26Å; I120-T124 WeakPolarHBondContact O-CG2 3.22Å; I120-T124 PolarHBondContact O-N 2.99Å; F121-T124 WeakPolarHBondContact CA-OG1 3.19Å; F121-T124 PolarHBondContact O-N 2.98Å; F121-T124 VanDerWaalsContact O-N 3.14Å; F121-T124 PolarHBondContact O-OG1 2.78Å; T124-L126 PolarHBondContact O-N 3.5Å; T124-I127 PolarHBondContact O-N 3.47Å; T124-P128 WeakPolarHBondContact O-CD 3.37Å
125T97.8Very high97Very high0 Ų034.5 Ų34.50%017%0.172CC..THydrogen-bonded Turntrans-61.9-23.6175.669.10000112.5S105 L106 T109 F121 F122 E123 I127 T129 L238S105-T125 WeakPolarHBondContact OG-CG2 3.41Å; L106-T125 HydrophobicContact CD2-CG2 3.79Å; L106-T125 HydrophobicContact CG-CG2 4.25Å; T109-T125 HydrophobicContact CG2-CG2 4.01Å; F121-T125 WeakPolarHBondContact O-CG2 3.41Å; F121-T125 PolarHBondContact O-N 3.26Å; F121-T125 VanDerWaalsContact O-N 3.17Å; F122-T125 PolarHBondContact O-N 3.07Å; F122-T125 PolarHBondContact O-OG1 3.43Å; E123-T125 PolarHBondContact O-N 3.2Å; E123-T125 VanDerWaalsContact O-N 3.12Å; T125-I127 VanDerWaalsContact C-N 3.32Å; T125-I127 PolarHBondContact O-N 3.23Å; T125-T129 WeakPolarHBondContact O-CB 3.21Å; T125-T129 WeakPolarHBondContact O-CG2 3.27Å; T125-T129 PolarHBondContact O-N 3.45Å; T125-T129 PolarHBondContact O-OG1 3.22Å; T125-L238 HydrophobicContact CG2-CD1 4.16Å
126L96.7Very high97.1Very high11 Ų1135.4 Ų35.46%0.05818%0.175CC..Hα-helixtrans-65.9-33.7178-66.6-178.1000112.7E123 T124 T129 L130 F149 T153 L154E123-L126 WeakPolarHBondContact O-CB 3.43Å; E123-L126 WeakPolarHBondContact O-CG 3.49Å; E123-L126 PolarHBondContact O-N 3.36Å; E123-L126 WeakPolarHBondContact OE2-CD1 3.37Å; T124-L126 PolarHBondContact O-N 3.5Å; L126-T129 VanDerWaalsContact C-OG1 3.25Å; L126-T129 VanDerWaalsContact CA-OG1 3.23Å; L126-T129 WeakPolarHBondContact CA-OG1 3.43Å; L126-T129 PolarHBondContact O-OG1 3.09Å; L126-L130 WeakPolarHBondContact O-CB 3.29Å; L126-L130 PolarHBondContact O-N 2.85Å; L126-F149 HydrophobicContact CD2-CD1 4.35Å; L126-F149 HydrophobicContact CD2-CE1 3.47Å; L126-F149 VanDerWaalsContact CD2-CE1 3.47Å; L126-F149 HydrophobicContact CD2-CE2 4.19Å; L126-F149 HydrophobicContact CD2-CZ 3.39Å; L126-T153 WeakPolarHBondContact CD1-OG1 3.41Å; L126-T153 HydrophobicContact CD2-CG2 4.05Å; L126-T153 WeakPolarHBondContact CD2-OG1 3.48Å; L126-L154 HydrophobicContact CD1-CD2 4.42Å
127I96.9Very high97Very high120 Ų12033.2 Ų33.262%0.61516%0.164SC*.Hα-helixtrans-69.1-52.4-172.7-58.9166.9000110.7T124 T125 T129 A131T124-I127 PolarHBondContact O-N 3.47Å; T125-I127 VanDerWaalsContact C-N 3.32Å; T125-I127 PolarHBondContact O-N 3.23Å; I127-T129 VanDerWaalsContact C-N 3.34Å; I127-T129 PolarHBondContact O-N 2.99Å; I127-A131 PolarHBondContact O-N 2.86Å
128P97.3Very high96.9Very high10 Ų1035.3 Ų35.37%0.06518%0.176CC..Hα-helixtrans-63.6-39176.9-24.135.7000113.3M98 S101 L102 T124 A131 I132M98-P128 HydrophobicContact CE-CB 4.45Å; S101-P128 WeakPolarHBondContact OG-CG 3.43Å; L102-P128 HydrophobicContact CB-CB 3.8Å; L102-P128 HydrophobicContact CB-CG 4.35Å; L102-P128 HydrophobicContact CD1-CB 4.31Å; T124-P128 WeakPolarHBondContact O-CD 3.37Å; P128-A131 PolarHBondContact O-N 3.2Å; P128-I132 WeakPolarHBondContact O-CD1 3.18Å; P128-I132 VanDerWaalsContact O-CG1 3.23Å; P128-I132 WeakPolarHBondContact O-CG1 3.38Å; P128-I132 PolarHBondContact O-N 3.07Å
129T97.3Very high96.8Very high6 Ų638.4 Ų38.44%0.03719%0.191CC..Hα-helixtrans-65.1-47.7-179.148.40000111.9L102 T125 L126 I127 A131 I132 I133 F149 L235L102-T129 HydrophobicContact CD1-CG2 3.29Å; L102-T129 HydrophobicContact CG-CG2 4.49Å; T125-T129 WeakPolarHBondContact O-CB 3.21Å; T125-T129 WeakPolarHBondContact O-CG2 3.27Å; T125-T129 PolarHBondContact O-N 3.45Å; T125-T129 PolarHBondContact O-OG1 3.22Å; L126-T129 VanDerWaalsContact C-OG1 3.25Å; L126-T129 VanDerWaalsContact CA-OG1 3.23Å; L126-T129 WeakPolarHBondContact CA-OG1 3.43Å; L126-T129 PolarHBondContact O-OG1 3.09Å; I127-T129 VanDerWaalsContact C-N 3.34Å; I127-T129 PolarHBondContact O-N 2.99Å; T129-A131 VanDerWaalsContact C-N 3.32Å; T129-A131 PolarHBondContact O-N 3.29Å; T129-I132 PolarHBondContact O-N 2.96Å; T129-I132 VanDerWaalsContact O-N 3.14Å; T129-I133 VanDerWaalsContact O-CG1 3.31Å; T129-I133 WeakPolarHBondContact O-CG1 3Å; T129-I133 PolarHBondContact O-N 3.41Å; T129-F149 VanDerWaalsContact OG1-CE1 3.26Å; T129-F149 WeakPolarHBondContact OG1-CE1 3.23Å; T129-L235 HydrophobicContact CG2-CD1 3.29Å; T129-L235 HydrophobicContact CG2-CD2 4.26Å; T129-L235 HydrophobicContact CG2-CG 4.44Å
130L97.2Very high96.6Very high46 Ų4642 Ų4224%0.24122%0.217CC..Hα-helixtrans-59.8-44.1177.6179.7136.4000111.4L126 I132 I133 T134 L150L126-L130 WeakPolarHBondContact O-CB 3.29Å; L126-L130 PolarHBondContact O-N 2.85Å; L130-I132 VanDerWaalsContact C-N 3.33Å; L130-I132 PolarHBondContact O-N 3.44Å; L130-I133 PolarHBondContact O-N 3.12Å; L130-T134 HydrophobicContact CD2-CG2 4.38Å; L130-T134 HydrophobicContact CG-CG2 4.15Å; L130-T134 WeakPolarHBondContact O-CB 3.12Å; L130-T134 WeakPolarHBondContact O-CG2 3.49Å; L130-T134 PolarHBondContact O-N 3.36Å; L130-T134 PolarHBondContact O-OG1 3.22Å; L130-L150 HydrophobicContact CD1-CB 3.74Å; L130-L150 HydrophobicContact CD1-CD1 3.51Å; L130-L150 HydrophobicContact CD1-CG 4.26Å
131A97.4Very high96.5Very high23 Ų2342.2 Ų42.219%0.1922%0.216CC..Hα-helixtrans-61.5-41175.800000112.1M98 I127 P128 T129 R135M98-A131 HydrophobicContact CE-CB 3.24Å; I127-A131 PolarHBondContact O-N 2.86Å; P128-A131 PolarHBondContact O-N 3.2Å; T129-A131 VanDerWaalsContact C-N 3.32Å; T129-A131 PolarHBondContact O-N 3.29Å; A131-R135 WeakPolarHBondContact O-CB 3.38Å; A131-R135 PolarHBondContact O-N 2.93Å; A131-R135 VanDerWaalsContact O-N 3.11Å
132I97.6Very high96.5Very high2 Ų243.5 Ų43.51%0.0122%0.219CC..Hα-helixtrans-61.2-47.1177-70.8163.8000111.4Y95 M98 L99 L102 P128 T129 L130 W136 P224Y95-I132 HydrophobicContact CE2-CG2 4.2Å; M98-I132 HydrophobicContact CB-CD1 4.1Å; M98-I132 HydrophobicContact CB-CG1 3.94Å; L99-I132 HydrophobicContact CD2-CD1 3.72Å; L99-I132 HydrophobicContact CG-CD1 4.37Å; L102-I132 HydrophobicContact CD1-CD1 4.34Å; P128-I132 WeakPolarHBondContact O-CD1 3.18Å; P128-I132 VanDerWaalsContact O-CG1 3.23Å; P128-I132 WeakPolarHBondContact O-CG1 3.38Å; P128-I132 PolarHBondContact O-N 3.07Å; T129-I132 PolarHBondContact O-N 2.96Å; T129-I132 VanDerWaalsContact O-N 3.14Å; L130-I132 VanDerWaalsContact C-N 3.33Å; L130-I132 PolarHBondContact O-N 3.44Å; I132-W136 PolarHBondContact O-N 3.37Å; I132-P224 HydrophobicContact CG2-CG 3.56Å
133I97.3Very high96.5Very high1 Ų148.2 Ų48.21%0.00524%0.244CC..Hα-helixtrans-66.4-55.8-178.2-62.1166.1000110.5T129 L130 R135 G137 F149 A223 L231T129-I133 VanDerWaalsContact O-CG1 3.31Å; T129-I133 WeakPolarHBondContact O-CG1 3Å; T129-I133 PolarHBondContact O-N 3.41Å; L130-I133 PolarHBondContact O-N 3.12Å; I133-R135 VanDerWaalsContact C-N 3.34Å; I133-R135 PolarHBondContact O-N 2.61Å; I133-G137 WeakPolarHBondContact O-CA 3.19Å; I133-G137 PolarHBondContact O-N 3.39Å; I133-F149 HydrophobicContact CD1-CD1 4.4Å; I133-A223 HydrophobicContact CG1-CB 4.06Å; I133-L231 HydrophobicContact CD1-CD1 4.12Å
134T97.4Very high96.5Very high31 Ų3151.9 Ų51.919%0.1926%0.264CS..Hα-helixtrans-70.8-27.2-170.856.80000113.5L130 R142 L143L130-T134 HydrophobicContact CD2-CG2 4.38Å; L130-T134 HydrophobicContact CG-CG2 4.15Å; L130-T134 WeakPolarHBondContact O-CB 3.12Å; L130-T134 WeakPolarHBondContact O-CG2 3.49Å; L130-T134 PolarHBondContact O-N 3.36Å; L130-T134 PolarHBondContact O-OG1 3.22Å; T134-R142 VanDerWaalsContact O-CD 3.31Å; T134-R142 WeakPolarHBondContact O-CD 3.35Å; T134-R142 PolarHBondContact O-NE 3.21Å; T134-L143 HydrophobicContact CG2-CD2 4.34Å
135R96.7Very high96.5Very high146 Ų14649.8 Ų49.855%0.55125%0.251SS*.Hα-helixtrans-94.4-42.7-177.6-175.461.3173.1-177.7-0.9113.8A131 I133 R142A131-R135 WeakPolarHBondContact O-CB 3.38Å; A131-R135 PolarHBondContact O-N 2.93Å; A131-R135 VanDerWaalsContact O-N 3.11Å; I133-R135 VanDerWaalsContact C-N 3.34Å; I133-R135 PolarHBondContact O-N 2.61Å; R135-R142 PolarHBondContact O-NH1 2.86Å; R135-R142 VanDerWaalsContact O-NH1 3.17Å
136W96.9Very high96.5Very high24 Ų2449.9 Ų49.99%0.09125%0.252CS..Hα-helixtrans-111.25.6-174.5-65.3-87.9000114.1L84 R91 L94 Y95 M98 I132 P224L84-W136 HydrophobicContact CD2-CG 4.5Å; R91-W136 WeakPolarHBondContact O-CZ2 3.38Å; L94-W136 HydrophobicContact CB-CH2 4.41Å; L94-W136 HydrophobicContact CB-CZ2 4.38Å; Y95-W136 HydrophobicContact CD2-CB 4.36Å; Y95-W136 AromaticContact CD2-CD2 3.43Å; Y95-W136 HydrophobicContact CD2-CD2 3.43Å; Y95-W136 VanDerWaalsContact CD2-CD2 3.43Å; Y95-W136 AromaticContact CD2-CE2 3.62Å; Y95-W136 AromaticContact CD2-CE3 3.69Å; Y95-W136 HydrophobicContact CD2-CE3 3.69Å; Y95-W136 AromaticContact CD2-CG 3.76Å; Y95-W136 HydrophobicContact CD2-CG 3.76Å; Y95-W136 HydrophobicContact CD2-CH2 4.23Å; Y95-W136 HydrophobicContact CD2-CZ2 4.04Å; Y95-W136 HydrophobicContact CD2-CZ3 4.07Å; Y95-W136 HydrophobicContact CE2-CB 4.16Å; Y95-W136 HydrophobicContact CE2-CD2 4.08Å; Y95-W136 HydrophobicContact CE2-CE3 4.28Å; Y95-W136 HydrophobicContact CE2-CG 4.05Å; Y95-W136 HydrophobicContact CG-CD2 4.41Å; Y95-W136 HydrophobicContact CG-CZ2 4.34Å; M98-W136 HydrophobicContact CG-CH2 4.29Å; M98-W136 HydrophobicContact CG-CZ3 4.36Å; I132-W136 PolarHBondContact O-N 3.37Å; W136-P224 HydrophobicContact CB-CB 4.45Å; W136-P224 HydrophobicContact CB-CG 4.11Å
137G94.8Very high96.5Very high1 Ų152.5 Ų52.51%0.0127%0.269CS..  trans-64148.2165.800000111.6I133 R142 E222I133-G137 WeakPolarHBondContact O-CA 3.19Å; I133-G137 PolarHBondContact O-N 3.39Å; G137-R142 VanDerWaalsContact O-CD 3.22Å; G137-R142 WeakPolarHBondContact O-CD 3.49Å; G137-R142 PolarHBondContact O-NH1 2.84Å; G137-E222 WeakPolarHBondContact CA-O 3.4Å
138N92.9Very high96.5Very high85 Ų8551 Ų5146%0.45526%0.256SS..SBendtrans-82.7-35.3-171.4-70.8-18.6000114Y334N138-Y334 VanDerWaalsContact ND2-CE1 3.25Å; N138-Y334 WeakPolarHBondContact ND2-CE1 3.43Å; N138-Y334 PolarHBondContact ND2-OH 3.15Å
139Q94.2Very high96.4Very high72 Ų7250.6 Ų50.634%0.33625%0.253SS..SBendtrans-100.8159.9-172.6-57.2-67.4-1100112.3E141 R142 E222Q139-E141 VanDerWaalsContact C-N 3.26Å; Q139-E141 VanDerWaalsContact CB-OE2 3.27Å; Q139-E141 WeakPolarHBondContact CB-OE2 3.35Å; Q139-E141 PolarHBondContact O-N 3.22Å; Q139-R142 WeakPolarHBondContact O-CB 3.44Å; Q139-R142 VanDerWaalsContact O-CD 3.32Å; Q139-R142 WeakPolarHBondContact O-CD 3.15Å; Q139-R142 WeakPolarHBondContact O-CG 3.46Å; Q139-R142 PolarHBondContact O-N 2.94Å; Q139-E222 WeakPolarHBondContact CB-OE2 3.41Å; Q139-E222 WeakPolarHBondContact CG-OE2 3.02Å
140P94.4Very high96.4Very high96 Ų9652.6 Ų52.662%0.62326%0.264SS*.THydrogen-bonded Turntrans-61.9-29.6179.324-34.4000113.7R142 L143P140-R142 PolarHBondContact O-N 3.02Å; P140-L143 PolarHBondContact O-N 3.31Å
141E95.8Very high96.4Very high95 Ų9556.2 Ų56.244%0.44428%0.278SS..THydrogen-bonded Turntrans-63.7-10.5-179.8-63.576.5-165.800113.2Q139 L143 N144 A145 E222Q139-E141 VanDerWaalsContact C-N 3.26Å; Q139-E141 VanDerWaalsContact CB-OE2 3.27Å; Q139-E141 WeakPolarHBondContact CB-OE2 3.35Å; Q139-E141 PolarHBondContact O-N 3.22Å; E141-L143 PolarHBondContact O-N 3.4Å; E141-L143 VanDerWaalsContact O-N 3.17Å; E141-N144 PolarHBondContact O-N 2.87Å; E141-N144 VanDerWaalsContact O-N 3.08Å; E141-A145 WeakPolarHBondContact O-CB 3.5Å; E141-A145 PolarHBondContact O-N 3.1Å; E141-E222 HydrophobicContact CB-CG 4.1Å
142R96.6Very high96.4Very high74 Ų7458.2 Ų58.228%0.27928%0.281SS..Hα-helixtrans-54.6-32.2176.172.3-171178.5-178.60.3113.6T134 R135 G137 Q139 P140 G146 E222T134-R142 VanDerWaalsContact O-CD 3.31Å; T134-R142 WeakPolarHBondContact O-CD 3.35Å; T134-R142 PolarHBondContact O-NE 3.21Å; R135-R142 PolarHBondContact O-NH1 2.86Å; R135-R142 VanDerWaalsContact O-NH1 3.17Å; G137-R142 VanDerWaalsContact O-CD 3.22Å; G137-R142 WeakPolarHBondContact O-CD 3.49Å; G137-R142 PolarHBondContact O-NH1 2.84Å; Q139-R142 WeakPolarHBondContact O-CB 3.44Å; Q139-R142 VanDerWaalsContact O-CD 3.32Å; Q139-R142 WeakPolarHBondContact O-CD 3.15Å; Q139-R142 WeakPolarHBondContact O-CG 3.46Å; Q139-R142 PolarHBondContact O-N 2.94Å; P140-R142 PolarHBondContact O-N 3.02Å; R142-G146 PolarHBondContact O-N 3.42Å; R142-E222 HydrophobicContact CB-CB 4.17Å
143L96.5Very high96.3Very high100 Ų10058.1 Ų58.152%0.52428%0.28SS..Hα-helixtrans-69.6-48.8176.8-65.9178.7000110.3T134 P140 E141 A145 G146 T147T134-L143 HydrophobicContact CG2-CD2 4.34Å; P140-L143 PolarHBondContact O-N 3.31Å; E141-L143 PolarHBondContact O-N 3.4Å; E141-L143 VanDerWaalsContact O-N 3.17Å; L143-A145 PolarHBondContact O-N 3Å; L143-G146 PolarHBondContact O-N 3.27Å; L143-T147 WeakPolarHBondContact O-CG2 3.49Å; L143-T147 PolarHBondContact O-N 2.91Å
144N97.7Very high96.3Very high100 Ų10060.7 Ų60.754%0.53529%0.294SS..Hα-helixtrans-59.6-47.7175.2-71.2-6.2000110.3E141 G146 T147 Y148E141-N144 PolarHBondContact O-N 2.87Å; E141-N144 VanDerWaalsContact O-N 3.08Å; N144-G146 VanDerWaalsContact C-N 3.29Å; N144-G146 PolarHBondContact O-N 3.4Å; N144-T147 WeakPolarHBondContact CA-OG1 3.2Å; N144-T147 PolarHBondContact O-N 3.49Å; N144-T147 PolarHBondContact O-OG1 3.09Å; N144-Y148 WeakPolarHBondContact O-CD2 3.36Å; N144-Y148 PolarHBondContact O-N 3.15Å
145A97Very high96.2Very high2 Ų264.2 Ų64.22%0.01732%0.315CS..Hα-helixtrans-55.7-43176.100000112.3E141 L143 Y148 F149 K218 E222E141-A145 WeakPolarHBondContact O-CB 3.5Å; E141-A145 PolarHBondContact O-N 3.1Å; L143-A145 PolarHBondContact O-N 3Å; A145-Y148 PolarHBondContact O-N 3.35Å; A145-F149 WeakPolarHBondContact O-CB 3.46Å; A145-F149 PolarHBondContact O-N 3.4Å; A145-K218 HydrophobicContact CB-CB 3.98Å; A145-E222 HydrophobicContact CB-CB 4.12Å; A145-E222 HydrophobicContact CB-CG 4.26Å
146G96.9Very high96.1Very high2 Ų257.6 Ų57.62%0.02129%0.292CS..Hα-helixtrans-60.9-41.8173.900000113.3R142 L143 N144 F149 L150R142-G146 PolarHBondContact O-N 3.42Å; L143-G146 PolarHBondContact O-N 3.27Å; N144-G146 VanDerWaalsContact C-N 3.29Å; N144-G146 PolarHBondContact O-N 3.4Å; G146-F149 PolarHBondContact O-N 2.81Å; G146-L150 WeakPolarHBondContact O-CB 3.47Å; G146-L150 PolarHBondContact O-N 2.9Å
147T97.1Very high96.1Very high66 Ų6656.5 Ų56.541%0.40529%0.288SS..Hα-helixtrans-65.6-44.3176.361.60000112.5L143 N144 F149 L150 F151L143-T147 WeakPolarHBondContact O-CG2 3.49Å; L143-T147 PolarHBondContact O-N 2.91Å; N144-T147 WeakPolarHBondContact CA-OG1 3.2Å; N144-T147 PolarHBondContact O-N 3.49Å; N144-T147 PolarHBondContact O-OG1 3.09Å; T147-F149 VanDerWaalsContact C-N 3.35Å; T147-F149 PolarHBondContact O-N 3.38Å; T147-L150 PolarHBondContact O-N 3.45Å; T147-F151 VanDerWaalsContact O-CD2 3.26Å; T147-F151 WeakPolarHBondContact O-CD2 3.44Å; T147-F151 PolarHBondContact O-N 3.45Å
148Y96.8Very high96.2Very high88 Ų8860.8 Ų60.835%0.34531%0.31SS..Hα-helixtrans-58.6-48.2175-80.2-77.4000110.9N144 A145 Y152 K218N144-Y148 WeakPolarHBondContact O-CD2 3.36Å; N144-Y148 PolarHBondContact O-N 3.15Å; A145-Y148 PolarHBondContact O-N 3.35Å; Y148-Y152 HydrophobicContact CD1-CD2 4.39Å; Y148-Y152 AromaticContact CD1-CE2 3.72Å; Y148-Y152 HydrophobicContact CD1-CE2 3.72Å; Y148-Y152 HydrophobicContact CE1-CE2 4.43Å; Y148-Y152 VanDerWaalsContact O-CB 3.29Å; Y148-Y152 WeakPolarHBondContact O-CB 3.41Å; Y148-Y152 WeakPolarHBondContact O-CD2 3.21Å; Y148-Y152 PolarHBondContact O-N 3.31Å; Y148-Y152 VanDerWaalsContact O-N 3.08Å; Y148-K218 HydrophobicContact CD2-CD 3.81Å; Y148-K218 HydrophobicContact CE2-CD 4.1Å; Y148-K218 VanDerWaalsContact CE2-NZ 3.28Å; Y148-K218 HydrophobicContact CG-CD 4.31Å; Y148-K218 VanDerWaalsContact CZ-NZ 3.26Å
149F96.3Very high96.4Very high2 Ų259.2 Ų59.21%0.00931%0.305CS..Hα-helixtrans-57.8-50.4178.5173.5-111.3000111.9L126 T129 I133 A145 G146 T147 T153 W215 L231L126-F149 HydrophobicContact CD2-CD1 4.35Å; L126-F149 HydrophobicContact CD2-CE1 3.47Å; L126-F149 VanDerWaalsContact CD2-CE1 3.47Å; L126-F149 HydrophobicContact CD2-CE2 4.19Å; L126-F149 HydrophobicContact CD2-CZ 3.39Å; T129-F149 VanDerWaalsContact OG1-CE1 3.26Å; T129-F149 WeakPolarHBondContact OG1-CE1 3.23Å; I133-F149 HydrophobicContact CD1-CD1 4.4Å; A145-F149 WeakPolarHBondContact O-CB 3.46Å; A145-F149 PolarHBondContact O-N 3.4Å; G146-F149 PolarHBondContact O-N 2.81Å; T147-F149 VanDerWaalsContact C-N 3.35Å; T147-F149 PolarHBondContact O-N 3.38Å; F149-T153 HydrophobicContact CE2-CG2 4.41Å; F149-T153 VanDerWaalsContact O-CG2 3.28Å; F149-T153 WeakPolarHBondContact O-CG2 3.5Å; F149-T153 PolarHBondContact O-N 3.42Å; F149-T153 PolarHBondContact O-OG1 2.72Å; F149-W215 HydrophobicContact CD2-CD2 4.37Å; F149-W215 AromaticContact CD2-CE3 3.57Å; F149-W215 HydrophobicContact CD2-CE3 3.57Å; F149-W215 HydrophobicContact CD2-CH2 4.34Å; F149-W215 AromaticContact CD2-CZ3 3.55Å; F149-W215 HydrophobicContact CD2-CZ3 3.55Å; F149-W215 HydrophobicContact CE2-CE3 4.31Å; F149-W215 HydrophobicContact CE2-CH2 4.3Å; F149-W215 AromaticContact CE2-CZ3 3.83Å; F149-W215 HydrophobicContact CE2-CZ3 3.83Å; F149-L231 HydrophobicContact CE2-CD2 4.02Å; F149-L231 HydrophobicContact CZ-CD2 4.29Å
150L97Very high96.5Very high49 Ų4955.8 Ų55.826%0.25729%0.289SS..Hα-helixtrans-65.4-48-178.1174.9146.1000112.8L130 G146 T147 T153 L154L130-L150 HydrophobicContact CD1-CB 3.74Å; L130-L150 HydrophobicContact CD1-CD1 3.51Å; L130-L150 HydrophobicContact CD1-CG 4.26Å; G146-L150 WeakPolarHBondContact O-CB 3.47Å; G146-L150 PolarHBondContact O-N 2.9Å; T147-L150 PolarHBondContact O-N 3.45Å; L150-T153 PolarHBondContact O-N 3.15Å; L150-T153 PolarHBondContact O-OG1 2.84Å; L150-L154 HydrophobicContact CD1-CD1 4.46Å; L150-L154 HydrophobicContact CD2-CD1 3.51Å; L150-L154 HydrophobicContact CD2-CG 4.45Å; L150-L154 HydrophobicContact CG-CD1 3.78Å; L150-L154 HydrophobicContact CG-CG 4.39Å; L150-L154 WeakPolarHBondContact O-CB 3.39Å; L150-L154 WeakPolarHBondContact O-CG 3.12Å; L150-L154 PolarHBondContact O-N 3.1Å
151F97.1Very high96.7Very high122 Ų12253.5 Ų53.554%0.53527%0.271SS..Hα-helixtrans-74.2-36.2-173.3-77.4-65.3000112.6T147 T153 V155T147-F151 VanDerWaalsContact O-CD2 3.26Å; T147-F151 WeakPolarHBondContact O-CD2 3.44Å; T147-F151 PolarHBondContact O-N 3.45Å; F151-T153 VanDerWaalsContact C-N 3.28Å; F151-T153 PolarHBondContact O-N 3.08Å; F151-V155 VanDerWaalsContact O-CB 3.31Å; F151-V155 WeakPolarHBondContact O-CB 3.41Å; F151-V155 WeakPolarHBondContact O-CG2 3.29Å; F151-V155 PolarHBondContact O-N 3.38Å
152Y96.5Very high96.7Very high64 Ų6454.8 Ų54.825%0.25128%0.28SS..Hα-helixtrans-59-46.4173.8-85.2-124.1000109.7Y148 G156 W215Y148-Y152 HydrophobicContact CD1-CD2 4.39Å; Y148-Y152 AromaticContact CD1-CE2 3.72Å; Y148-Y152 HydrophobicContact CD1-CE2 3.72Å; Y148-Y152 HydrophobicContact CE1-CE2 4.43Å; Y148-Y152 VanDerWaalsContact O-CB 3.29Å; Y148-Y152 WeakPolarHBondContact O-CB 3.41Å; Y148-Y152 WeakPolarHBondContact O-CD2 3.21Å; Y148-Y152 PolarHBondContact O-N 3.31Å; Y148-Y152 VanDerWaalsContact O-N 3.08Å; Y152-G156 PolarHBondContact O-N 3.37Å; Y152-W215 HydrophobicContact CD1-CB 4.34Å; Y152-W215 AromaticContact CD1-CD1 3.58Å; Y152-W215 HydrophobicContact CD1-CG 4.31Å; Y152-W215 HydrophobicContact CG-CB 4.29Å; Y152-W215 HydrophobicContact CG-CG 4.46Å
153T96.3Very high96.7Very high1 Ų151.3 Ų51.31%0.00627%0.267CS..Hα-helixtrans-68.2-45.4-177.754.90000112.4L126 F149 L150 F151 G156 S157 V205 K206L126-T153 WeakPolarHBondContact CD1-OG1 3.41Å; L126-T153 HydrophobicContact CD2-CG2 4.05Å; L126-T153 WeakPolarHBondContact CD2-OG1 3.48Å; F149-T153 HydrophobicContact CE2-CG2 4.41Å; F149-T153 VanDerWaalsContact O-CG2 3.28Å; F149-T153 WeakPolarHBondContact O-CG2 3.5Å; F149-T153 PolarHBondContact O-N 3.42Å; F149-T153 PolarHBondContact O-OG1 2.72Å; L150-T153 PolarHBondContact O-N 3.15Å; L150-T153 PolarHBondContact O-OG1 2.84Å; F151-T153 VanDerWaalsContact C-N 3.28Å; F151-T153 PolarHBondContact O-N 3.08Å; T153-G156 PolarHBondContact O-N 3.47Å; T153-S157 WeakPolarHBondContact O-CB 3.26Å; T153-S157 PolarHBondContact O-N 2.89Å; T153-S157 PolarHBondContact O-OG 3.3Å; T153-V205 HydrophobicContact CG2-CG1 4.35Å; T153-K206 HydrophobicContact CG2-CD 3.83Å; T153-K206 VanDerWaalsContact CG2-CE 3.47Å
154L96.8Very high96.7Very high55 Ų5546.7 Ų46.729%0.28824%0.243SC..Hα-helixtrans-65.9-41.5-179.5-72.7177000112.7L126 L150 G156 S157 L158L126-L154 HydrophobicContact CD1-CD2 4.42Å; L150-L154 HydrophobicContact CD1-CD1 4.46Å; L150-L154 HydrophobicContact CD2-CD1 3.51Å; L150-L154 HydrophobicContact CD2-CG 4.45Å; L150-L154 HydrophobicContact CG-CD1 3.78Å; L150-L154 HydrophobicContact CG-CG 4.39Å; L150-L154 WeakPolarHBondContact O-CB 3.39Å; L150-L154 WeakPolarHBondContact O-CG 3.12Å; L150-L154 PolarHBondContact O-N 3.1Å; L154-G156 VanDerWaalsContact C-N 3.27Å; L154-G156 PolarHBondContact O-N 3.14Å; L154-S157 WeakPolarHBondContact CA-OG 3.35Å; L154-S157 PolarHBondContact O-N 3.03Å; L154-S157 PolarHBondContact O-OG 3.48Å; L154-L158 VanDerWaalsContact O-CG 3.31Å; L154-L158 WeakPolarHBondContact O-CG 3.44Å; L154-L158 PolarHBondContact O-N 3.5Å
155V96.5Very high96.7Very high105 Ų10545.5 Ų45.564%0.63624%0.236SC*.Hα-helixtrans-64-37.5178171.90000110.7F151 P159F151-V155 VanDerWaalsContact O-CB 3.31Å; F151-V155 WeakPolarHBondContact O-CB 3.41Å; F151-V155 WeakPolarHBondContact O-CG2 3.29Å; F151-V155 PolarHBondContact O-N 3.38Å; V155-P159 WeakPolarHBondContact O-CD 3.42Å
156G94.6Very high96.6Very high7 Ų751.3 Ų51.37%0.07226%0.258CS..Hα-helixtrans-71.8-35.9174.700000113.6Y152 T153 L154 A202Y152-G156 PolarHBondContact O-N 3.37Å; T153-G156 PolarHBondContact O-N 3.47Å; L154-G156 VanDerWaalsContact C-N 3.27Å; L154-G156 PolarHBondContact O-N 3.14Å; G156-A202 WeakPolarHBondContact O-CA 2.72Å; G156-A202 VanDerWaalsContact O-CB 3.32Å; G156-A202 WeakPolarHBondContact O-CB 3.48Å; G156-A202 PolarHBondContact O-N 2.91Å
157S95.9Very high96.4Very high1 Ų151.6 Ų51.61%0.00726%0.259CS..Hα-helixtrans-91.3-27.2-168.272.20000115.3Y119 E123 T153 L154 L160 L161Y119-S157 WeakPolarHBondContact CE2-O 3.32Å; E123-S157 WeakPolarHBondContact OE1-CB 3.06Å; E123-S157 PolarHBondContact OE1-OG 3.09Å; E123-S157 PolarHBondContact OE2-OG 3.45Å; T153-S157 WeakPolarHBondContact O-CB 3.26Å; T153-S157 PolarHBondContact O-N 2.89Å; T153-S157 PolarHBondContact O-OG 3.3Å; L154-S157 WeakPolarHBondContact CA-OG 3.35Å; L154-S157 PolarHBondContact O-N 3.03Å; L154-S157 PolarHBondContact O-OG 3.48Å; S157-L160 WeakPolarHBondContact O-CA 3.38Å; S157-L160 WeakPolarHBondContact O-CB 3.42Å; S157-L160 PolarHBondContact O-N 3.46Å; S157-L160 VanDerWaalsContact O-N 3.09Å; S157-L161 PolarHBondContact O-N 3.39Å
158L96.5Very high96.3Very high91 Ų9152.2 Ų52.248%0.47626%0.257SS..Hα-helixtrans-60.5-42.5174.6-70.9172.1000113.4L154 L160 L161 I162L154-L158 VanDerWaalsContact O-CG 3.31Å; L154-L158 WeakPolarHBondContact O-CG 3.44Å; L154-L158 PolarHBondContact O-N 3.5Å; L158-L160 VanDerWaalsContact C-N 3.27Å; L158-L160 PolarHBondContact O-N 3.37Å; L158-L161 WeakPolarHBondContact O-CB 3.28Å; L158-L161 PolarHBondContact O-N 3.13Å; L158-I162 PolarHBondContact O-N 2.82Å
159P97.3Very high96.3Very high51 Ų5153.9 Ų53.933%0.33127%0.272SS..Hα-helixtrans-58.1-38.7170.6-26.235.3000113.1V155 L161 I162 A163 A198V155-P159 WeakPolarHBondContact O-CD 3.42Å; P159-L161 VanDerWaalsContact C-N 3.33Å; P159-L161 PolarHBondContact O-N 3.41Å; P159-I162 PolarHBondContact O-N 2.98Å; P159-A163 WeakPolarHBondContact O-CB 3.41Å; P159-A163 PolarHBondContact O-N 3Å; P159-A198 HydrophobicContact CB-CB 4.02Å
160L97.1Very high96.1Very high1 Ų157 Ų571%0.00529%0.291CS..Hα-helixtrans-63.2-38.6177.2177.2149.4000111.6Y119 S157 L158 A163 L164 A198 Y199 A202 F203 L246Y119-L160 HydrophobicContact CD2-CD2 3.31Å; Y119-L160 HydrophobicContact CE2-CD2 3.88Å; Y119-L160 HydrophobicContact CG-CD2 4.14Å; S157-L160 WeakPolarHBondContact O-CA 3.38Å; S157-L160 WeakPolarHBondContact O-CB 3.42Å; S157-L160 PolarHBondContact O-N 3.46Å; S157-L160 VanDerWaalsContact O-N 3.09Å; L158-L160 VanDerWaalsContact C-N 3.27Å; L158-L160 PolarHBondContact O-N 3.37Å; L160-A163 PolarHBondContact O-N 3.29Å; L160-L164 HydrophobicContact CD2-CD1 3.53Å; L160-L164 HydrophobicContact CD2-CG 4.15Å; L160-L164 HydrophobicContact CG-CD1 4.37Å; L160-L164 HydrophobicContact CG-CG 4.5Å; L160-L164 WeakPolarHBondContact O-CB 3.3Å; L160-L164 WeakPolarHBondContact O-CG 3.22Å; L160-L164 PolarHBondContact O-N 3.45Å; L160-A198 WeakPolarHBondContact CA-O 3.5Å; L160-A198 WeakPolarHBondContact CB-O 3.26Å; L160-A198 PolarHBondContact N-O 2.91Å; L160-Y199 WeakPolarHBondContact CD1-O 3.31Å; L160-A202 HydrophobicContact CB-CB 3.9Å; L160-A202 HydrophobicContact CD1-CB 3.61Å; L160-A202 HydrophobicContact CG-CB 4.34Å; L160-F203 HydrophobicContact CD1-CD2 4.32Å; L160-F203 HydrophobicContact CD1-CE1 4.13Å; L160-F203 HydrophobicContact CD1-CE2 3.68Å; L160-F203 HydrophobicContact CD1-CZ 3.54Å; L160-L246 HydrophobicContact CD1-CD1 4.21Å
161L97.6Very high95.9Very high48 Ų4856.3 Ų56.325%0.25129%0.288SS..Hα-helixtrans-60.2-47.2173.9176.761.4000111.8Y119 S157 L158 P159 A163 L164 I165Y119-L161 HydrophobicContact CD1-CB 4.48Å; Y119-L161 HydrophobicContact CD1-CD1 3.77Å; Y119-L161 HydrophobicContact CE1-CB 3.88Å; Y119-L161 HydrophobicContact CE1-CD1 3.65Å; Y119-L161 HydrophobicContact CE1-CD2 3.95Å; Y119-L161 HydrophobicContact CE1-CG 4.02Å; Y119-L161 HydrophobicContact CE2-CB 4.09Å; S157-L161 PolarHBondContact O-N 3.39Å; L158-L161 WeakPolarHBondContact O-CB 3.28Å; L158-L161 PolarHBondContact O-N 3.13Å; P159-L161 VanDerWaalsContact C-N 3.33Å; P159-L161 PolarHBondContact O-N 3.41Å; L161-A163 VanDerWaalsContact C-N 3.3Å; L161-A163 PolarHBondContact O-N 3.34Å; L161-L164 PolarHBondContact O-N 3.23Å; L161-I165 HydrophobicContact CD1-CD1 3.89Å; L161-I165 HydrophobicContact CD1-CG1 4.22Å; L161-I165 HydrophobicContact CG-CD1 3.92Å; L161-I165 WeakPolarHBondContact O-CG1 3.46Å; L161-I165 PolarHBondContact O-N 3.17Å
162I97.2Very high95.6Very high121 Ų12153.1 Ų53.162%0.62129%0.29SS*.Hα-helixtrans-60.5-44.8179.2-62.9167.5000110L158 P159 I165 Y166L158-I162 PolarHBondContact O-N 2.82Å; P159-I162 PolarHBondContact O-N 2.98Å; I162-I165 PolarHBondContact O-N 2.99Å; I162-Y166 WeakPolarHBondContact O-CB 3.37Å; I162-Y166 PolarHBondContact O-N 3.43Å
163A96.1Very high95.4Very high2 Ų251.4 Ų51.42%0.01729%0.287CS..Hα-helixtrans-61-44.8176.900000112.1P159 L160 L161 Y166 T167 M195 A198 Y199P159-A163 WeakPolarHBondContact O-CB 3.41Å; P159-A163 PolarHBondContact O-N 3Å; L160-A163 PolarHBondContact O-N 3.29Å; L161-A163 VanDerWaalsContact C-N 3.3Å; L161-A163 PolarHBondContact O-N 3.34Å; A163-Y166 WeakPolarHBondContact O-CB 3.39Å; A163-Y166 PolarHBondContact O-N 3.01Å; A163-T167 PolarHBondContact O-N 3.16Å; A163-T167 PolarHBondContact O-OG1 3.03Å; A163-M195 HydrophobicContact CB-SD 3.43Å; A163-M195 WeakPolarHBondContact CB-SD 3.47Å; A163-A198 HydrophobicContact CB-CB 3.84Å; A163-Y199 HydrophobicContact CB-CD1 3.76Å; A163-Y199 HydrophobicContact CB-CE1 3.4Å; A163-Y199 VanDerWaalsContact CB-CE1 3.4Å; A163-Y199 HydrophobicContact CB-CE2 4.29Å; A163-Y199 HydrophobicContact CB-CG 4.29Å; A163-Y199 PolarHBondContact O-OH 2.93Å
164L96.6Very high95.3Very high2 Ų251.6 Ų51.61%0.0129%0.288CS..Hα-helixtrans-62.2-45.6177.2-74178000112.2L115 I116 Y119 L160 L161 Y166 T167 H168 L174 Y199 L246L115-L164 HydrophobicContact CB-CD1 4.37Å; L115-L164 HydrophobicContact CB-CD2 3.67Å; L115-L164 HydrophobicContact CD1-CD2 3.94Å; L115-L164 HydrophobicContact CG-CD2 4.44Å; I116-L164 HydrophobicContact CG1-CB 4.3Å; Y119-L164 HydrophobicContact CG-CD1 4.49Å; L160-L164 HydrophobicContact CD2-CD1 3.53Å; L160-L164 HydrophobicContact CD2-CG 4.15Å; L160-L164 HydrophobicContact CG-CD1 4.37Å; L160-L164 HydrophobicContact CG-CG 4.5Å; L160-L164 WeakPolarHBondContact O-CB 3.3Å; L160-L164 WeakPolarHBondContact O-CG 3.22Å; L160-L164 PolarHBondContact O-N 3.45Å; L161-L164 PolarHBondContact O-N 3.23Å; L164-Y166 VanDerWaalsContact C-N 3.3Å; L164-Y166 PolarHBondContact O-N 3.13Å; L164-T167 VanDerWaalsContact CA-OG1 3.31Å; L164-T167 WeakPolarHBondContact CA-OG1 3.09Å; L164-T167 PolarHBondContact O-N 2.8Å; L164-T167 PolarHBondContact O-OG1 3.48Å; L164-H168 PolarHBondContact O-N 3.43Å; L164-L174 HydrophobicContact CB-CD1 4.29Å; L164-L174 WeakPolarHBondContact O-CD1 3.37Å; L164-Y199 HydrophobicContact CD2-CE1 3.99Å; L164-Y199 HydrophobicContact CG-CE1 4.33Å; L164-L246 HydrophobicContact CD2-CD2 4.44Å
165I97Very high95.2Very high76 Ų7650.3 Ų50.339%0.3928%0.281SS..Hα-helixtrans-60.8-41.5176.2-66.4166.7000110.6L161 I162 H168 N169L161-I165 HydrophobicContact CD1-CD1 3.89Å; L161-I165 HydrophobicContact CD1-CG1 4.22Å; L161-I165 HydrophobicContact CG-CD1 3.92Å; L161-I165 WeakPolarHBondContact O-CG1 3.46Å; L161-I165 PolarHBondContact O-N 3.17Å; I162-I165 PolarHBondContact O-N 2.99Å; I165-H168 WeakPolarHBondContact O-CB 3.38Å; I165-H168 PolarHBondContact O-N 2.94Å; I165-N169 PolarHBondContact O-N 3.35Å; I165-N169 VanDerWaalsContact O-N 3.09Å
166Y95.4Very high94.9Very high124 Ų12445.5 Ų45.549%0.48625%0.252SS..Hα-helixtrans-58.7-50174.7176-93.4000111.6I162 A163 L164 H168 N169 T170 M195I162-Y166 WeakPolarHBondContact O-CB 3.37Å; I162-Y166 PolarHBondContact O-N 3.43Å; A163-Y166 WeakPolarHBondContact O-CB 3.39Å; A163-Y166 PolarHBondContact O-N 3.01Å; L164-Y166 VanDerWaalsContact C-N 3.3Å; L164-Y166 PolarHBondContact O-N 3.13Å; Y166-H168 VanDerWaalsContact C-N 3.25Å; Y166-H168 PolarHBondContact O-N 2.81Å; Y166-N169 PolarHBondContact O-N 3.23Å; Y166-N169 VanDerWaalsContact O-N 3.09Å; Y166-T170 HydrophobicContact CD1-CG2 4.2Å; Y166-T170 HydrophobicContact CE1-CG2 3.73Å; Y166-T170 HydrophobicContact CE2-CG2 4.11Å; Y166-T170 PolarHBondContact O-N 2.82Å; Y166-T170 PolarHBondContact O-OG1 2.99Å; Y166-M195 HydrophobicContact CD1-CE 3.14Å; Y166-M195 HydrophobicContact CD1-SD 4.28Å; Y166-M195 HydrophobicContact CD2-CE 4.39Å; Y166-M195 HydrophobicContact CE1-CE 3.59Å; Y166-M195 HydrophobicContact CG-CE 3.59Å
167T93.3Very high94.6Very high8 Ų847.8 Ų47.85%0.04926%0.262CS..Hα-helixtrans-61.3-33.1176.329.60000113.7A163 L164 N169 T170 L171 L174 Y199 I249A163-T167 PolarHBondContact O-N 3.16Å; A163-T167 PolarHBondContact O-OG1 3.03Å; L164-T167 VanDerWaalsContact CA-OG1 3.31Å; L164-T167 WeakPolarHBondContact CA-OG1 3.09Å; L164-T167 PolarHBondContact O-N 2.8Å; L164-T167 PolarHBondContact O-OG1 3.48Å; T167-N169 VanDerWaalsContact C-N 3.3Å; T167-T170 WeakPolarHBondContact CA-OG1 3.24Å; T167-T170 PolarHBondContact O-N 3.4Å; T167-T170 PolarHBondContact O-OG1 2.9Å; T167-L171 HydrophobicContact CG2-CD1 4.41Å; T167-L171 WeakPolarHBondContact O-CB 3.45Å; T167-L171 PolarHBondContact O-N 2.95Å; T167-L174 WeakPolarHBondContact OG1-CD2 3.33Å; T167-Y199 WeakPolarHBondContact CB-OH 3.24Å; T167-Y199 WeakPolarHBondContact CG2-OH 3.45Å; T167-Y199 PolarHBondContact OG1-OH 2.76Å; T167-I249 HydrophobicContact CG2-CG2 4.34Å
168H94.9Very high94.4Very high78 Ų7851.4 Ų51.436%0.36128%0.281SS..Hα-helixtrans-62.7-43.3175.6-174.147.9000110.8I116 L164 I165 Y166 T170 G172 L174I116-H168 HydrophobicContact CD1-CB 4.48Å; L164-H168 PolarHBondContact O-N 3.43Å; I165-H168 WeakPolarHBondContact O-CB 3.38Å; I165-H168 PolarHBondContact O-N 2.94Å; Y166-H168 VanDerWaalsContact C-N 3.25Å; Y166-H168 PolarHBondContact O-N 2.81Å; H168-T170 VanDerWaalsContact C-N 3.35Å; H168-T170 PolarHBondContact O-N 2.86Å; H168-G172 PolarHBondContact CE1-O 3.41Å; H168-G172 VanDerWaalsContact CE1-O 3.22Å; H168-G172 PolarHBondContact ND1-O 3.18Å; H168-G172 CarbonylContact O-C 3.52Å; H168-G172 WeakPolarHBondContact O-CA 3.5Å; H168-G172 PolarHBondContact O-N 3.42Å; H168-L174 HydrophobicContact CB-CD1 3.84Å; H168-L174 HydrophobicContact CB-CD2 4.3Å; H168-L174 HydrophobicContact CB-CG 3.8Å
169N95.6Very high94.1Very high123 Ų12347.3 Ų47.366%0.65826%0.259SS*.Hα-helixtrans-68.5-32.7178.9-65.2-15.4000112.5I165 Y166 T167I165-N169 PolarHBondContact O-N 3.35Å; I165-N169 VanDerWaalsContact O-N 3.09Å; Y166-N169 PolarHBondContact O-N 3.23Å; Y166-N169 VanDerWaalsContact O-N 3.09Å; T167-N169 VanDerWaalsContact C-N 3.3Å
170T92.6Very high93.6Very high67 Ų6748.2 Ų48.241%0.41126%0.264SS..Hα-helixtrans-82.8-42.5-179.459.20000113.6Y166 T167 H168Y166-T170 HydrophobicContact CD1-CG2 4.2Å; Y166-T170 HydrophobicContact CE1-CG2 3.73Å; Y166-T170 HydrophobicContact CE2-CG2 4.11Å; Y166-T170 PolarHBondContact O-N 2.82Å; Y166-T170 PolarHBondContact O-OG1 2.99Å; T167-T170 WeakPolarHBondContact CA-OG1 3.24Å; T167-T170 PolarHBondContact O-N 3.4Å; T167-T170 PolarHBondContact O-OG1 2.9Å; H168-T170 VanDerWaalsContact C-N 3.35Å; H168-T170 PolarHBondContact O-N 2.86Å
171L92.2Very high93.1Very high36 Ų3655.1 Ų55.119%0.18830%0.301CS..Hα-helixtrans-95.6-10.8-176.3-61.5174.8000113T167 S173 L179 Q184T167-L171 HydrophobicContact CG2-CD1 4.41Å; T167-L171 WeakPolarHBondContact O-CB 3.45Å; T167-L171 PolarHBondContact O-N 2.95Å; L171-S173 PolarHBondContact O-N 3.33Å; L171-S173 VanDerWaalsContact O-N 3.09Å; L171-L179 HydrophobicContact CD1-CD2 3.48Å; L171-L179 VanDerWaalsContact CD1-CD2 3.48Å; L171-Q184 HydrophobicContact CD2-CG 4.06Å
172G91.9Very high92.7Very high55 Ų5556 Ų5657%0.56731%0.308SS*.SBendtrans76-20.5-176.700000114.7H168H168-G172 PolarHBondContact CE1-O 3.41Å; H168-G172 VanDerWaalsContact CE1-O 3.22Å; H168-G172 PolarHBondContact ND1-O 3.18Å; H168-G172 CarbonylContact O-C 3.52Å; H168-G172 WeakPolarHBondContact O-CA 3.5Å; H168-G172 PolarHBondContact O-N 3.42Å
173S92.8Very high92Very high27 Ų2752.3 Ų52.319%0.18930%0.295CS..  trans-145.2153.4179.372.50000111.9L171 L178L171-S173 PolarHBondContact O-N 3.33Å; L171-S173 VanDerWaalsContact O-N 3.09Å; S173-L178 WeakPolarHBondContact OG-CD1 3.18Å
174L94Very high91.4Very high6 Ų658.6 Ų58.63%0.03132%0.324CS..  trans-120.417.9175.1-67.5-178.5000112.7E114 L115 I116 L164 T167 H168 I176E114-L174 WeakPolarHBondContact CA-O 3.46Å; L115-L174 HydrophobicContact CB-CB 4.28Å; L115-L174 PolarHBondContact N-O 3.47Å; I116-L174 HydrophobicContact CB-CD1 4.3Å; I116-L174 HydrophobicContact CD1-CD1 3.33Å; I116-L174 HydrophobicContact CG1-CD1 3.36Å; L164-L174 HydrophobicContact CB-CD1 4.29Å; L164-L174 WeakPolarHBondContact O-CD1 3.37Å; T167-L174 WeakPolarHBondContact OG1-CD2 3.33Å; H168-L174 HydrophobicContact CB-CD1 3.84Å; H168-L174 HydrophobicContact CB-CD2 4.3Å; H168-L174 HydrophobicContact CB-CG 3.8Å; L174-I176 PolarHBondContact O-N 2.62Å
175N93.9Very high90.9Very high28 Ų2866.5 Ų66.515%0.1536%0.361CS..BIsolated β-bridgetrans-69.5123.8174.6-178.1-2.8000108.6E114 L177 L178 L179E114-N175 HydrophobicContact CG-CB 4.47Å; N175-L177 PolarHBondContact O-N 2.71Å; N175-L177 VanDerWaalsContact O-N 3.15Å; N175-L177 PolarHBondContact OD1-N 3.4Å; N175-L178 HydrophobicContact CB-CB 4.32Å; N175-L178 HydrophobicContact CB-CD1 4.15Å; N175-L178 HydrophobicContact CB-CG 4.24Å; N175-L178 PolarHBondContact O-N 2.8Å; N175-L179 WeakPolarHBondContact O-CG 3.29Å; N175-L179 PolarHBondContact O-N 3.43Å
176I91Very high90.5Very high4 Ų464.3 Ų64.32%0.02135%0.35CS..Hα-helixtrans-51.8-39.7-179.5-67.3160.3000111.1T113 L115 L174 L178 L179 T180 R245 L248T113-I176 WeakPolarHBondContact O-CB 2.88Å; T113-I176 WeakPolarHBondContact O-CD1 3.23Å; T113-I176 WeakPolarHBondContact O-CG1 3.2Å; T113-I176 PolarHBondContact O-N 3.41Å; L115-I176 HydrophobicContact CD2-CD1 4.16Å; L115-I176 HydrophobicContact CD2-CG1 3.89Å; L115-I176 HydrophobicContact CG-CG1 4.2Å; L174-I176 PolarHBondContact O-N 2.62Å; I176-L178 PolarHBondContact O-N 3.07Å; I176-L179 PolarHBondContact O-N 2.86Å; I176-T180 PolarHBondContact O-N 3.12Å; I176-T180 VanDerWaalsContact O-N 3.09Å; I176-R245 HydrophobicContact CD1-CG 4.42Å; I176-L248 HydrophobicContact CG2-CD1 4.33Å
177L87.6Confident90.3Very high54 Ų5462 Ų6228%0.28335%0.352SS..Hα-helixtrans-64.3-36.2178.1-74.5165000113.6L49 N175 T180L49-L177 HydrophobicContact CB-CD2 3.66Å; L49-L177 HydrophobicContact CD1-CD2 3.47Å; L49-L177 VanDerWaalsContact CD1-CD2 3.47Å; L49-L177 HydrophobicContact CD1-CG 4.18Å; L49-L177 HydrophobicContact CG-CD2 4.15Å; N175-L177 PolarHBondContact O-N 2.71Å; N175-L177 VanDerWaalsContact O-N 3.15Å; N175-L177 PolarHBondContact OD1-N 3.4Å; L177-T180 PolarHBondContact O-OG1 3.12Å
178L91.1Very high90.2Very high78 Ų7867.2 Ų67.241%0.40838%0.38SS..Hα-helixtrans-77.4-39.5176.8-69175.7000110.1S173 N175 I176 T180 L181 T182S173-L178 WeakPolarHBondContact OG-CD1 3.18Å; N175-L178 HydrophobicContact CB-CB 4.32Å; N175-L178 HydrophobicContact CB-CD1 4.15Å; N175-L178 HydrophobicContact CB-CG 4.24Å; N175-L178 PolarHBondContact O-N 2.8Å; I176-L178 PolarHBondContact O-N 3.07Å; L178-T180 PolarHBondContact O-N 2.91Å; L178-L181 WeakPolarHBondContact O-CA 3Å; L178-L181 PolarHBondContact O-N 3.46Å; L178-T182 PolarHBondContact O-N 3.4Å; L178-T182 PolarHBondContact O-OG1 3.23Å
179L91Very high90.1Very high4 Ų465.5 Ų65.52%0.02138%0.376CS..Hα-helixtrans-59.4-33.4178-71166.8000112.5L115 L171 N175 I176 L181 A183 I249L115-L179 HydrophobicContact CD1-CD1 3.48Å; L115-L179 VanDerWaalsContact CD1-CD1 3.48Å; L115-L179 HydrophobicContact CG-CD1 4.17Å; L171-L179 HydrophobicContact CD1-CD2 3.48Å; L171-L179 VanDerWaalsContact CD1-CD2 3.48Å; N175-L179 WeakPolarHBondContact O-CG 3.29Å; N175-L179 PolarHBondContact O-N 3.43Å; I176-L179 PolarHBondContact O-N 2.86Å; L179-L181 PolarHBondContact O-N 3.23Å; L179-A183 WeakPolarHBondContact O-CB 3.37Å; L179-A183 PolarHBondContact O-N 2.87Å; L179-I249 HydrophobicContact CD1-CD1 4Å; L179-I249 HydrophobicContact CD2-CD1 4.18Å; L179-I249 HydrophobicContact CD2-CG1 4.33Å
180T87.1Confident90.1Very high70 Ų7070.2 Ų70.243%0.42939%0.385SS..Hα-helixtrans-61.4-23.4173.751.20000113.5I176 L177 L178 L248I176-T180 PolarHBondContact O-N 3.12Å; I176-T180 VanDerWaalsContact O-N 3.09Å; L177-T180 PolarHBondContact O-OG1 3.12Å; L178-T180 PolarHBondContact O-N 2.91Å; T180-L248 HydrophobicContact CG2-CD1 3.72Å; T180-L248 HydrophobicContact CG2-CD2 4.23Å
181L87.1Confident90.1Very high147 Ų14770.3 Ų70.377%0.7739%0.393SS*.Hα-helixtrans-102.7-32.9-179-59.6175.5000112.8L178 L179L178-L181 WeakPolarHBondContact O-CA 3Å; L178-L181 PolarHBondContact O-N 3.46Å; L179-L181 PolarHBondContact O-N 3.23Å
182T88Confident90.2Very high66 Ų6669.9 Ų69.941%0.40539%0.391SS..Hα-helixtrans-105.41.3-173.162.40000114.1L178 Q184L178-T182 PolarHBondContact O-N 3.4Å; L178-T182 PolarHBondContact O-OG1 3.23Å; T182-Q184 PolarHBondContact O-N 2.71Å; T182-Q184 VanDerWaalsContact O-N 3.15Å
183A82.1Confident90.4Very high43 Ų4368.3 Ų68.336%0.35537%0.369SS..PPolyproline II helixtrans-54.7121.7179.100000110.9L179L179-A183 WeakPolarHBondContact O-CB 3.37Å; L179-A183 PolarHBondContact O-N 2.87Å
184Q84Confident90.5Very high134 Ų13472.6 Ų72.663%0.62639%0.39SS*.PPolyproline II helixtrans-88.5139.7172.5-67179.1-9.400109.3L171 T182 L186L171-Q184 HydrophobicContact CD2-CG 4.06Å; T182-Q184 PolarHBondContact O-N 2.71Å; T182-Q184 VanDerWaalsContact O-N 3.15Å; Q184-L186 PolarHBondContact O-N 3.06Å
185E86.6Confident90.5Very high168 Ų16873.9 Ų73.979%0.78540%0.396SS*.PPolyproline II helixtrans-67.3125.3173.7-65.5-173.117400110.5S187E185-S187 PolarHBondContact O-N 3.4Å
186L88.1Confident90.7Very high30 Ų3072.6 Ų72.616%0.15739%0.389CS..PPolyproline II helixtrans-75.5125176.4-65.4174.4000110.8Q184 I249 L250 N251 P252 L253Q184-L186 PolarHBondContact O-N 3.06Å; L186-I249 VanDerWaalsContact CD1-O 3.29Å; L186-I249 WeakPolarHBondContact CD1-O 2.84Å; L186-I249 WeakPolarHBondContact CG-O 3.25Å; L186-L250 HydrophobicContact CD1-CD2 4.42Å; L186-N251 PolarHBondContact N-O 2.99Å; L186-P252 WeakPolarHBondContact O-CD 3.43Å; L186-L253 HydrophobicContact CB-CB 4.5Å; L186-L253 HydrophobicContact CB-CD1 3.37Å; L186-L253 HydrophobicContact CB-CG 3.71Å; L186-L253 HydrophobicContact CD1-CD1 4.04Å; L186-L253 HydrophobicContact CG-CD1 4.32Å; L186-L253 WeakPolarHBondContact O-CG 3.35Å
187S90.7Very high90.9Very high76 Ų7675 Ų7553%0.53140%0.401SS..PPolyproline II helixtrans-80.7156.4176.462.90000112.7E185 S189 N192E185-S187 PolarHBondContact O-N 3.4Å; S187-S189 PolarHBondContact O-N 2.87Å; S187-N192 PolarHBondContact N-ND2 2.8Å; S187-N192 WeakPolarHBondContact O-CB 3.13Å; S187-N192 PolarHBondContact O-ND2 3.45Å; S187-N192 PolarHBondContact OG-ND2 3.46Å; S187-N192 VanDerWaalsContact OG-ND2 3.13Å
188N90.9Very high91.3Very high118 Ų11873.3 Ų73.363%0.63140%0.395SS*.SBendtrans-7591.4179.1-167.715.4000111.5L253N188-L253 HydrophobicContact CB-CD2 4.1Å
189S94.2Very high91.5Very high41 Ų4169.7 Ų69.729%0.28738%0.376SS..  trans-137155174.9720000110.3S187 A191 N192 N193S187-S189 PolarHBondContact O-N 2.87Å; S189-A191 PolarHBondContact O-N 3.45Å; S189-N192 PolarHBondContact O-N 3.25Å; S189-N192 VanDerWaalsContact O-N 3.1Å; S189-N192 VanDerWaalsContact OG-CG 3.25Å; S189-N192 PolarHBondContact OG-N 3.1Å; S189-N192 PolarHBondContact OG-ND2 2.89Å; S189-N193 VanDerWaalsContact O-CG 3.3Å; S189-N193 PolarHBondContact O-N 3.21Å
190W94.3Very high91.7Very high222 Ų22269.7 Ų69.784%0.84138%0.376SS*.Hα-helixtrans-57.5-36.8177.3-72.9107.9000113N193 L194W190-N193 PolarHBondContact O-N 3.11Å; W190-L194 WeakPolarHBondContact O-CG 3.31Å; W190-L194 PolarHBondContact O-N 3.33Å
191A94.3Very high92.1Very high69 Ų6969 Ų6957%0.5737%0.369SS*.Hα-helixtrans-61.7-46.3175.700000111.3S189 N193 L194 M195S189-A191 PolarHBondContact O-N 3.45Å; A191-N193 VanDerWaalsContact C-N 3.35Å; A191-N193 PolarHBondContact O-N 3.49Å; A191-L194 PolarHBondContact O-N 3.21Å; A191-M195 WeakPolarHBondContact O-CB 3.18Å; A191-M195 PolarHBondContact O-N 2.86Å
192N94.4Very high92.6Very high27 Ų2762.1 Ų62.114%0.14433%0.333CS..Hα-helixtrans-71.7-30179.3-62-19.7000112.4S187 S189 M195 W196 L253S187-N192 PolarHBondContact N-ND2 2.8Å; S187-N192 WeakPolarHBondContact O-CB 3.13Å; S187-N192 PolarHBondContact O-ND2 3.45Å; S187-N192 PolarHBondContact OG-ND2 3.46Å; S187-N192 VanDerWaalsContact OG-ND2 3.13Å; S189-N192 PolarHBondContact O-N 3.25Å; S189-N192 VanDerWaalsContact O-N 3.1Å; S189-N192 VanDerWaalsContact OG-CG 3.25Å; S189-N192 PolarHBondContact OG-N 3.1Å; S189-N192 PolarHBondContact OG-ND2 2.89Å; N192-M195 WeakPolarHBondContact O-CB 3.44Å; N192-M195 PolarHBondContact O-N 3.41Å; N192-W196 WeakPolarHBondContact O-CB 3.38Å; N192-W196 PolarHBondContact O-N 3.03Å; N192-L253 HydrophobicContact CB-CD1 3.42Å; N192-L253 VanDerWaalsContact CB-CD1 3.42Å
193N95.5Very high93Very high23 Ų2359.1 Ų59.112%0.12331%0.314CS..Hα-helixtrans-65.6-42.4172.8-68.2-14.5000111.5S189 W190 A191 W196 L197 M257S189-N193 VanDerWaalsContact O-CG 3.3Å; S189-N193 PolarHBondContact O-N 3.21Å; W190-N193 PolarHBondContact O-N 3.11Å; A191-N193 VanDerWaalsContact C-N 3.35Å; A191-N193 PolarHBondContact O-N 3.49Å; N193-W196 PolarHBondContact O-N 2.93Å; N193-L197 WeakPolarHBondContact O-CG 3.3Å; N193-L197 PolarHBondContact O-N 3.02Å; N193-L197 VanDerWaalsContact O-N 3.08Å; N193-M257 HydrophobicContact CB-CE 3.89Å; N193-M257 HydrophobicContact CB-SD 4.04Å
194L95.4Very high93.6Very high117 Ų11757 Ų5761%0.61330%0.297SS*.Hα-helixtrans-65.9-39.2172.9-72.3173.2000111.8W190 A191 L197 A198W190-L194 WeakPolarHBondContact O-CG 3.31Å; W190-L194 PolarHBondContact O-N 3.33Å; A191-L194 PolarHBondContact O-N 3.21Å; L194-L197 PolarHBondContact O-N 3.13Å; L194-A198 WeakPolarHBondContact O-CB 3.24Å; L194-A198 PolarHBondContact O-N 3.29Å
195M94.3Very high94.2Very high32 Ų3251 Ų5116%0.15827%0.269CS..Hα-helixtrans-61.8-44.5175-172.264.471.400111.5A163 Y166 A191 N192 L197 A198 Y199A163-M195 HydrophobicContact CB-SD 3.43Å; A163-M195 WeakPolarHBondContact CB-SD 3.47Å; Y166-M195 HydrophobicContact CD1-CE 3.14Å; Y166-M195 HydrophobicContact CD1-SD 4.28Å; Y166-M195 HydrophobicContact CD2-CE 4.39Å; Y166-M195 HydrophobicContact CE1-CE 3.59Å; Y166-M195 HydrophobicContact CG-CE 3.59Å; A191-M195 WeakPolarHBondContact O-CB 3.18Å; A191-M195 PolarHBondContact O-N 2.86Å; N192-M195 WeakPolarHBondContact O-CB 3.44Å; N192-M195 PolarHBondContact O-N 3.41Å; M195-L197 VanDerWaalsContact C-N 3.31Å; M195-L197 PolarHBondContact O-N 3.31Å; M195-A198 WeakPolarHBondContact O-CB 3.38Å; M195-A198 PolarHBondContact O-N 3.02Å; M195-A198 VanDerWaalsContact O-N 3.15Å; M195-Y199 HydrophobicContact CG-CD2 3.86Å; M195-Y199 HydrophobicContact CG-CE2 3.35Å; M195-Y199 WeakPolarHBondContact O-CD2 3.14Å; M195-Y199 PolarHBondContact O-N 2.88Å; M195-Y199 HydrophobicContact SD-CD2 4.33Å; M195-Y199 HydrophobicContact SD-CE2 3.65Å
196W96.2Very high94.6Very high1 Ų143.1 Ų43.10%0.00423%0.233CC..Hα-helixtrans-59.4-42.5175.5-175.499000111.6N192 N193 Y199 T200 L250 M257 F261 L302N192-W196 WeakPolarHBondContact O-CB 3.38Å; N192-W196 PolarHBondContact O-N 3.03Å; N193-W196 PolarHBondContact O-N 2.93Å; W196-Y199 PolarHBondContact O-N 3.46Å; W196-T200 HydrophobicContact CD2-CG2 4.09Å; W196-T200 HydrophobicContact CE3-CG2 4.29Å; W196-T200 HydrophobicContact CH2-CG2 4.08Å; W196-T200 HydrophobicContact CZ2-CG2 3.89Å; W196-T200 HydrophobicContact CZ3-CG2 4.26Å; W196-T200 WeakPolarHBondContact CZ3-OG1 3.46Å; W196-T200 WeakPolarHBondContact O-CB 3.19Å; W196-T200 WeakPolarHBondContact O-CG2 3.37Å; W196-T200 PolarHBondContact O-N 3.33Å; W196-T200 VanDerWaalsContact O-N 3.1Å; W196-T200 PolarHBondContact O-OG1 2.98Å; W196-L250 HydrophobicContact CB-CD2 4.35Å; W196-L250 HydrophobicContact CG-CD2 4.14Å; W196-M257 HydrophobicContact CD2-CB 3.55Å; W196-M257 HydrophobicContact CD2-CG 4.11Å; W196-M257 HydrophobicContact CE3-CB 3.7Å; W196-M257 HydrophobicContact CE3-CE 4.03Å; W196-M257 HydrophobicContact CE3-CG 4.32Å; W196-M257 HydrophobicContact CG-CB 4.12Å; W196-M257 HydrophobicContact CG-CG 4.23Å; W196-M257 HydrophobicContact CH2-CB 4.03Å; W196-M257 HydrophobicContact CZ2-CB 3.86Å; W196-M257 HydrophobicContact CZ3-CB 3.96Å; W196-F261 AromaticContact CH2-CD2 3.63Å; W196-F261 HydrophobicContact CH2-CD2 3.63Å; W196-F261 AromaticContact CH2-CE2 3.77Å; W196-F261 HydrophobicContact CH2-CE2 3.77Å; W196-F261 AromaticContact CZ3-CD2 3.8Å; W196-F261 HydrophobicContact CZ3-CD2 3.8Å; W196-F261 AromaticContact CZ3-CE2 3.41Å; W196-F261 HydrophobicContact CZ3-CE2 3.41Å; W196-F261 VanDerWaalsContact CZ3-CE2 3.41Å; W196-F261 HydrophobicContact CZ3-CZ 4.22Å; W196-L302 HydrophobicContact CZ2-CD2 4.31Å
197L96Very high94.6Very high55 Ų5541.7 Ų41.729%0.28823%0.225SC..Hα-helixtrans-63.5-44.5174.1-72.8169.1000111.3N193 L194 M195 Y199 T200 M201 M257 F261N193-L197 WeakPolarHBondContact O-CG 3.3Å; N193-L197 PolarHBondContact O-N 3.02Å; N193-L197 VanDerWaalsContact O-N 3.08Å; L194-L197 PolarHBondContact O-N 3.13Å; M195-L197 VanDerWaalsContact C-N 3.31Å; M195-L197 PolarHBondContact O-N 3.31Å; L197-Y199 VanDerWaalsContact C-N 3.31Å; L197-Y199 PolarHBondContact O-N 3.24Å; L197-T200 PolarHBondContact O-N 2.94Å; L197-T200 PolarHBondContact O-OG1 3.49Å; L197-M201 HydrophobicContact CB-CG 4.46Å; L197-M201 VanDerWaalsContact O-CB 3.28Å; L197-M201 WeakPolarHBondContact O-CB 3.32Å; L197-M201 WeakPolarHBondContact O-CG 3.31Å; L197-M201 PolarHBondContact O-N 2.85Å; L197-M257 HydrophobicContact CD1-CE 4.43Å; L197-M257 HydrophobicContact CG-CE 4.17Å; L197-F261 HydrophobicContact CD2-CE2 3.94Å; L197-F261 HydrophobicContact CD2-CZ 3.75Å
198A96.4Very high94.6Very high18 Ų1838.1 Ų38.115%0.14920%0.2CC..Hα-helixtrans-59.4-40.5178.900000112.3P159 L160 A163 L194 M195P159-A198 HydrophobicContact CB-CB 4.02Å; L160-A198 WeakPolarHBondContact CA-O 3.5Å; L160-A198 WeakPolarHBondContact CB-O 3.26Å; L160-A198 PolarHBondContact N-O 2.91Å; A163-A198 HydrophobicContact CB-CB 3.84Å; L194-A198 WeakPolarHBondContact O-CB 3.24Å; L194-A198 PolarHBondContact O-N 3.29Å; M195-A198 WeakPolarHBondContact O-CB 3.38Å; M195-A198 PolarHBondContact O-N 3.02Å; M195-A198 VanDerWaalsContact O-N 3.15Å
199Y95.3Very high94.7Very high2 Ų232.9 Ų32.91%0.00817%0.172CC..Hα-helixtrans-69.7-36.2175.8-75.5-50.5000114.4L160 A163 L164 T167 M195 W196 L197 F203 L246 L250L160-Y199 WeakPolarHBondContact CD1-O 3.31Å; A163-Y199 HydrophobicContact CB-CD1 3.76Å; A163-Y199 HydrophobicContact CB-CE1 3.4Å; A163-Y199 VanDerWaalsContact CB-CE1 3.4Å; A163-Y199 HydrophobicContact CB-CE2 4.29Å; A163-Y199 HydrophobicContact CB-CG 4.29Å; A163-Y199 PolarHBondContact O-OH 2.93Å; L164-Y199 HydrophobicContact CD2-CE1 3.99Å; L164-Y199 HydrophobicContact CG-CE1 4.33Å; T167-Y199 WeakPolarHBondContact CB-OH 3.24Å; T167-Y199 WeakPolarHBondContact CG2-OH 3.45Å; T167-Y199 PolarHBondContact OG1-OH 2.76Å; M195-Y199 HydrophobicContact CG-CD2 3.86Å; M195-Y199 HydrophobicContact CG-CE2 3.35Å; M195-Y199 WeakPolarHBondContact O-CD2 3.14Å; M195-Y199 PolarHBondContact O-N 2.88Å; M195-Y199 HydrophobicContact SD-CD2 4.33Å; M195-Y199 HydrophobicContact SD-CE2 3.65Å; W196-Y199 PolarHBondContact O-N 3.46Å; L197-Y199 VanDerWaalsContact C-N 3.31Å; L197-Y199 PolarHBondContact O-N 3.24Å; Y199-F203 WeakPolarHBondContact O-CD2 3.36Å; Y199-L246 HydrophobicContact CD1-CD1 3.64Å; Y199-L246 HydrophobicContact CG-CD1 3.95Å; Y199-L246 WeakPolarHBondContact O-CD1 3.43Å; Y199-L250 HydrophobicContact CD2-CD2 3.46Å; Y199-L250 VanDerWaalsContact CD2-CD2 3.46Å; Y199-L250 HydrophobicContact CE2-CD2 4.39Å; Y199-L250 HydrophobicContact CG-CD2 3.99Å
200T95.8Very high94.7Very high4 Ų433.6 Ų33.63%0.02517%0.169CC..Hα-helixtrans-91.1-35-171.153.10000113.2W196 L197 A202 F203 M204 L250W196-T200 HydrophobicContact CD2-CG2 4.09Å; W196-T200 HydrophobicContact CE3-CG2 4.29Å; W196-T200 HydrophobicContact CH2-CG2 4.08Å; W196-T200 HydrophobicContact CZ2-CG2 3.89Å; W196-T200 HydrophobicContact CZ3-CG2 4.26Å; W196-T200 WeakPolarHBondContact CZ3-OG1 3.46Å; W196-T200 WeakPolarHBondContact O-CB 3.19Å; W196-T200 WeakPolarHBondContact O-CG2 3.37Å; W196-T200 PolarHBondContact O-N 3.33Å; W196-T200 VanDerWaalsContact O-N 3.1Å; W196-T200 PolarHBondContact O-OG1 2.98Å; L197-T200 PolarHBondContact O-N 2.94Å; L197-T200 PolarHBondContact O-OG1 3.49Å; T200-A202 VanDerWaalsContact C-N 3.34Å; T200-A202 PolarHBondContact O-N 3.24Å; T200-F203 PolarHBondContact O-N 3.01Å; T200-F203 VanDerWaalsContact O-N 3.09Å; T200-M204 WeakPolarHBondContact O-CG 3.11Å; T200-M204 PolarHBondContact O-N 3.03Å; T200-L250 HydrophobicContact CG2-CD1 3.69Å
201M95.7Very high94.8Very high56 Ų5625.3 Ų25.328%0.27615%0.152SC..Hα-helixtrans-60.3-38.6-170.5-75.5-62.8-65.600113.6L197 F203 M204 V205 L212 F261L197-M201 HydrophobicContact CB-CG 4.46Å; L197-M201 VanDerWaalsContact O-CB 3.28Å; L197-M201 WeakPolarHBondContact O-CB 3.32Å; L197-M201 WeakPolarHBondContact O-CG 3.31Å; L197-M201 PolarHBondContact O-N 2.85Å; M201-F203 VanDerWaalsContact C-N 3.29Å; M201-F203 PolarHBondContact O-N 3.38Å; M201-M204 PolarHBondContact O-N 3.31Å; M201-V205 WeakPolarHBondContact O-CG2 3.22Å; M201-V205 PolarHBondContact O-N 3.12Å; M201-L212 HydrophobicContact CE-CD1 3.8Å; M201-F261 HydrophobicContact SD-CE1 3.96Å; M201-F261 HydrophobicContact SD-CZ 4.03Å
202A95.8Very high94.9Very high2 Ų224.2 Ų24.22%0.01714%0.136CC..Hα-helixtrans-56.3-44.1176.400000112.4G156 L160 T200 K206G156-A202 WeakPolarHBondContact O-CA 2.72Å; G156-A202 VanDerWaalsContact O-CB 3.32Å; G156-A202 WeakPolarHBondContact O-CB 3.48Å; G156-A202 PolarHBondContact O-N 2.91Å; L160-A202 HydrophobicContact CB-CB 3.9Å; L160-A202 HydrophobicContact CD1-CB 3.61Å; L160-A202 HydrophobicContact CG-CB 4.34Å; T200-A202 VanDerWaalsContact C-N 3.34Å; T200-A202 PolarHBondContact O-N 3.24Å; A202-K206 PolarHBondContact O-N 3.36Å
203F96.6Very high95Very high3 Ų323.5 Ų23.51%0.01313%0.132CC..Hα-helixtrans-79.5-32.1-179-57-47.8000112.6F118 F122 L160 Y199 T200 M201 V205 K206 M207 G239 G242 M243 L246F118-F203 AromaticContact CE1-CE1 3.65Å; F118-F203 HydrophobicContact CE1-CE1 3.65Å; F118-F203 AromaticContact CE1-CZ 3.6Å; F118-F203 HydrophobicContact CE1-CZ 3.6Å; F118-F203 AromaticContact CZ-CE1 3.83Å; F118-F203 HydrophobicContact CZ-CE1 3.83Å; F118-F203 HydrophobicContact CZ-CZ 4.13Å; F122-F203 HydrophobicContact CE2-CD1 4.2Å; F122-F203 HydrophobicContact CE2-CE1 4.17Å; F122-F203 HydrophobicContact CZ-CD1 4.15Å; F122-F203 HydrophobicContact CZ-CE1 4.19Å; L160-F203 HydrophobicContact CD1-CD2 4.32Å; L160-F203 HydrophobicContact CD1-CE1 4.13Å; L160-F203 HydrophobicContact CD1-CE2 3.68Å; L160-F203 HydrophobicContact CD1-CZ 3.54Å; Y199-F203 WeakPolarHBondContact O-CD2 3.36Å; T200-F203 PolarHBondContact O-N 3.01Å; T200-F203 VanDerWaalsContact O-N 3.09Å; M201-F203 VanDerWaalsContact C-N 3.29Å; M201-F203 PolarHBondContact O-N 3.38Å; F203-V205 VanDerWaalsContact C-N 3.26Å; F203-V205 PolarHBondContact O-N 2.84Å; F203-K206 CarbonylContact O-C 3.58Å; F203-K206 PolarHBondContact O-N 2.96Å; F203-K206 VanDerWaalsContact O-N 3.09Å; F203-M207 PolarHBondContact O-N 3.11Å; F203-G239 WeakPolarHBondContact CB-O 3.32Å; F203-G242 WeakPolarHBondContact CE2-O 3.39Å; F203-G242 VanDerWaalsContact CZ-CA 3.47Å; F203-M243 HydrophobicContact CB-CG 3.48Å; F203-M243 VanDerWaalsContact CB-CG 3.48Å; F203-M243 HydrophobicContact CB-SD 4.27Å; F203-M243 HydrophobicContact CD2-CG 3.84Å; F203-M243 HydrophobicContact CG-CG 4.02Å; F203-L246 HydrophobicContact CD2-CD1 4.32Å; F203-L246 HydrophobicContact CE2-CD1 3.42Å; F203-L246 VanDerWaalsContact CE2-CD1 3.42Å; F203-L246 HydrophobicContact CE2-CG 3.8Å; F203-L246 HydrophobicContact CZ-CD1 4.19Å; F203-L246 HydrophobicContact CZ-CG 4.47Å
204M95.6Very high95Very high0 Ų026.3 Ų26.30%015%0.147CC..Hα-helixtrans-62.4-34.9171.9-68.6-58.6-173.400111.7T200 M201 M207 P208 L209 M243 F261 V298 L302T200-M204 WeakPolarHBondContact O-CG 3.11Å; T200-M204 PolarHBondContact O-N 3.03Å; M201-M204 PolarHBondContact O-N 3.31Å; M204-M207 CarbonylContact O-C 3.57Å; M204-P208 CarbonylContact O-C 3.47Å; M204-P208 WeakPolarHBondContact O-CA 3.21Å; M204-L209 HydrophobicContact CB-CB 4.16Å; M204-L209 PolarHBondContact O-N 3.08Å; M204-L209 HydrophobicContact SD-CD1 3.89Å; M204-M243 HydrophobicContact CE-CE 3.31Å; M204-M243 HydrophobicContact CE-SD 3.81Å; M204-M243 HydrophobicContact SD-CE 4.18Å; M204-M243 HydrophobicContact SD-SD 3.86Å; M204-F261 HydrophobicContact CE-CB 4.18Å; M204-F261 HydrophobicContact CE-CD1 4.31Å; M204-F261 HydrophobicContact CE-CG 4.26Å; M204-F261 HydrophobicContact CG-CD1 4.46Å; M204-V298 HydrophobicContact CE-CG1 4.05Å; M204-V298 HydrophobicContact SD-CG1 3.85Å; M204-V298 HydrophobicContact SD-CG2 4.46Å; M204-L302 HydrophobicContact CE-CD1 3.96Å; M204-L302 HydrophobicContact CE-CD2 3.88Å; M204-L302 HydrophobicContact CE-CG 4.18Å
205V96.8Very high95.1Very high6 Ų620.8 Ų20.84%0.03612%0.118CC..Hα-helixtrans-66.1-40171.9172.40000111.4T153 M201 F203 L212 W215T153-V205 HydrophobicContact CG2-CG1 4.35Å; M201-V205 WeakPolarHBondContact O-CG2 3.22Å; M201-V205 PolarHBondContact O-N 3.12Å; F203-V205 VanDerWaalsContact C-N 3.26Å; F203-V205 PolarHBondContact O-N 2.84Å; V205-L212 HydrophobicContact CG2-CD1 3.96Å; V205-W215 WeakPolarHBondContact O-CZ2 3.41Å; V205-W215 PolarHBondContact O-NE1 2.85Å
206K94.3Very high95.2Very high3 Ų319.3 Ų19.31%0.01311%0.11CC..Hα-helixtrans-75.9-37.7-179.6-68.7-74.5-170.1167.50114.4F122 T153 A202 F203 P208 L236F122-K206 HydrophobicContact CE2-CD 4.14Å; F122-K206 HydrophobicContact CE2-CG 3.75Å; F122-K206 HydrophobicContact CZ-CD 3.99Å; F122-K206 HydrophobicContact CZ-CG 3.48Å; F122-K206 VanDerWaalsContact CZ-CG 3.48Å; T153-K206 HydrophobicContact CG2-CD 3.83Å; T153-K206 VanDerWaalsContact CG2-CE 3.47Å; A202-K206 PolarHBondContact O-N 3.36Å; F203-K206 CarbonylContact O-C 3.58Å; F203-K206 PolarHBondContact O-N 2.96Å; F203-K206 VanDerWaalsContact O-N 3.09Å; K206-P208 VanDerWaalsContact C-CD 3.44Å; K206-P208 WeakPolarHBondContact O-CD 3.2Å; K206-L236 VanDerWaalsContact O-CD2 3.25Å; K206-L236 WeakPolarHBondContact O-CD2 3.37Å
207M89.2Confident95.2Very high1 Ų119.8 Ų19.81%0.00511%0.114CC..THydrogen-bonded Turntrans-90.957.8168.4-81-155.7-59.600109.2F203 M204 L209 L236 G240 M243 V297 V298 I301F203-M207 PolarHBondContact O-N 3.11Å; M204-M207 CarbonylContact O-C 3.57Å; M207-L209 PolarHBondContact O-N 3.17Å; M207-L236 WeakPolarHBondContact CG-O 3.39Å; M207-G240 VanDerWaalsContact CE-CA 3.48Å; M207-G240 VanDerWaalsContact CG-N 3.33Å; M207-G240 WeakPolarHBondContact SD-CA 3.11Å; M207-G240 PolarHBondContact SD-N 3.33Å; M207-M243 HydrophobicContact CE-CG 4.13Å; M207-M243 HydrophobicContact CE-SD 3.27Å; M207-M243 WeakPolarHBondContact CE-SD 3.46Å; M207-V297 HydrophobicContact SD-CB 4.31Å; M207-V297 HydrophobicContact SD-CG1 3.64Å; M207-V298 HydrophobicContact CB-CG2 3.92Å; M207-V298 HydrophobicContact CE-CG2 3.73Å; M207-V298 HydrophobicContact SD-CG2 4.22Å; M207-I301 HydrophobicContact CE-CD1 3.78Å; M207-I301 HydrophobicContact SD-CD1 4.25Å
208P88.9Confident95.2Very high1 Ų121.1 Ų21.11%0.00612%0.117CC..THydrogen-bonded Turntrans-27.793-157.429.6-46.9000113.4M204 K206 Y210 H213 W215 L216 L236 I291M204-P208 CarbonylContact O-C 3.47Å; M204-P208 WeakPolarHBondContact O-CA 3.21Å; K206-P208 VanDerWaalsContact C-CD 3.44Å; K206-P208 WeakPolarHBondContact O-CD 3.2Å; P208-Y210 PolarHBondContact O-N 2.82Å; P208-H213 HydrophobicContact CB-CB 3.64Å; P208-W215 HydrophobicContact CB-CZ2 4.46Å; P208-L216 HydrophobicContact CB-CD1 4.22Å; P208-L216 HydrophobicContact CG-CD1 3.52Å; P208-L236 HydrophobicContact CG-CD2 4.44Å; P208-I291 HydrophobicContact CB-CG1 4.42Å; P208-I291 HydrophobicContact CG-CG1 3.95Å; P208-I291 HydrophobicContact CG-CG2 4.4Å
209L93.3Very high95.2Very high8 Ų820.2 Ų20.24%0.04211%0.11CC..  trans-56.6142.6174.2-173.691.3000107.6M204 M207 G211 L212 H213 F261 L264 V298M204-L209 HydrophobicContact CB-CB 4.16Å; M204-L209 PolarHBondContact O-N 3.08Å; M204-L209 HydrophobicContact SD-CD1 3.89Å; M207-L209 PolarHBondContact O-N 3.17Å; L209-G211 PolarHBondContact O-N 3.32Å; L209-L212 HydrophobicContact CB-CB 4.43Å; L209-L212 HydrophobicContact CB-CD1 4.4Å; L209-L212 HydrophobicContact CD2-CD1 4.35Å; L209-L212 CarbonylContact O-C 3.58Å; L209-L212 WeakPolarHBondContact O-CA 3.11Å; L209-L212 PolarHBondContact O-N 3.43Å; L209-H213 PolarHBondContact O-N 3.35Å; L209-H213 VanDerWaalsContact O-N 3.11Å; L209-F261 HydrophobicContact CD1-CB 4.28Å; L209-F261 HydrophobicContact CD1-CD1 3.96Å; L209-F261 HydrophobicContact CD2-CD1 3.63Å; L209-F261 HydrophobicContact CD2-CE1 4.01Å; L209-F261 HydrophobicContact CG-CD1 4.45Å; L209-L264 HydrophobicContact CD1-CB 4.47Å; L209-L264 HydrophobicContact CD2-CB 4.37Å; L209-L264 HydrophobicContact CD2-CD1 3.8Å; L209-L264 HydrophobicContact CG-CB 4.42Å; L209-V298 HydrophobicContact CD1-CG1 4.16Å
210Y95.2Very high95.2Very high56 Ų5620.1 Ų20.122%0.2211%0.11CC..THydrogen-bonded Turntrans-53.3137.4170.3-170.8-104.8000110.6P208 L212 H213 L264 M271 T272P208-Y210 PolarHBondContact O-N 2.82Å; Y210-L212 VanDerWaalsContact C-N 3.34Å; Y210-L212 PolarHBondContact O-N 3Å; Y210-H213 AromaticContact CD2-CE1 3.57Å; Y210-H213 AromaticContact CD2-ND1 3.81Å; Y210-H213 AromaticContact CE2-CE1 3.67Å; Y210-L264 VanDerWaalsContact CB-O 3.31Å; Y210-L264 WeakPolarHBondContact CB-O 3.4Å; Y210-M271 HydrophobicContact CE2-CB 3.85Å; Y210-T272 HydrophobicContact CD2-CG2 3.82Å; Y210-T272 HydrophobicContact CE2-CG2 4.01Å
211G95.6Very high95.1Very high47 Ų4720.5 Ų20.549%0.48511%0.112SC..THydrogen-bonded Turntrans87.9-40.8-163.400000115.4L209 H213L209-G211 PolarHBondContact O-N 3.32Å; G211-H213 PolarHBondContact N-ND1 3.46Å
212L96Very high95.1Very high46 Ų4618.6 Ų18.624%0.24110%0.102CC..THydrogen-bonded Turntrans-97.56.8178.4-58.6177.1000113.7M201 V205 L209 Y210 W215M201-L212 HydrophobicContact CE-CD1 3.8Å; V205-L212 HydrophobicContact CG2-CD1 3.96Å; L209-L212 HydrophobicContact CB-CB 4.43Å; L209-L212 HydrophobicContact CB-CD1 4.4Å; L209-L212 HydrophobicContact CD2-CD1 4.35Å; L209-L212 CarbonylContact O-C 3.58Å; L209-L212 WeakPolarHBondContact O-CA 3.11Å; L209-L212 PolarHBondContact O-N 3.43Å; Y210-L212 VanDerWaalsContact C-N 3.34Å; Y210-L212 PolarHBondContact O-N 3Å; L212-W215 PolarHBondContact O-NE1 3.09Å
213H96.8Very high95.2Very high13 Ų1318.6 Ų18.66%0.0610%0.103CC..  trans-86.4-7.5-17266.3-85.3000115.4P208 L209 Y210 G211 W215 L216 P217 I291P208-H213 HydrophobicContact CB-CB 3.64Å; L209-H213 PolarHBondContact O-N 3.35Å; L209-H213 VanDerWaalsContact O-N 3.11Å; Y210-H213 AromaticContact CD2-CE1 3.57Å; Y210-H213 AromaticContact CD2-ND1 3.81Å; Y210-H213 AromaticContact CE2-CE1 3.67Å; G211-H213 PolarHBondContact N-ND1 3.46Å; H213-W215 PolarHBondContact O-N 2.92Å; H213-L216 WeakPolarHBondContact O-CB 3.08Å; H213-L216 PolarHBondContact O-N 3.06Å; H213-P217 WeakPolarHBondContact O-CD 3.39Å; H213-I291 HydrophobicContact CB-CD1 3.74Å; H213-I291 HydrophobicContact CB-CG1 4.13Å; H213-I291 HydrophobicContact CB-CG2 3.93Å
214L96.7Very high95.1Very high81 Ų8118.7 Ų18.742%0.42410%0.103SC..THydrogen-bonded Turntrans-60.9-23.5-169.1-66.4178000114.5L216L214-L216 VanDerWaalsContact C-N 3.3Å
215W97.1Very high95.2Very high2 Ų218.8 Ų18.81%0.00810%0.104CC..Hα-helixtrans-68.6-30.9175.168.1-93.9000112F149 Y152 V205 P208 L212 H213 K218 A219 L231 L236F149-W215 HydrophobicContact CD2-CD2 4.37Å; F149-W215 AromaticContact CD2-CE3 3.57Å; F149-W215 HydrophobicContact CD2-CE3 3.57Å; F149-W215 HydrophobicContact CD2-CH2 4.34Å; F149-W215 AromaticContact CD2-CZ3 3.55Å; F149-W215 HydrophobicContact CD2-CZ3 3.55Å; F149-W215 HydrophobicContact CE2-CE3 4.31Å; F149-W215 HydrophobicContact CE2-CH2 4.3Å; F149-W215 AromaticContact CE2-CZ3 3.83Å; F149-W215 HydrophobicContact CE2-CZ3 3.83Å; Y152-W215 HydrophobicContact CD1-CB 4.34Å; Y152-W215 AromaticContact CD1-CD1 3.58Å; Y152-W215 HydrophobicContact CD1-CG 4.31Å; Y152-W215 HydrophobicContact CG-CB 4.29Å; Y152-W215 HydrophobicContact CG-CG 4.46Å; V205-W215 WeakPolarHBondContact O-CZ2 3.41Å; V205-W215 PolarHBondContact O-NE1 2.85Å; P208-W215 HydrophobicContact CB-CZ2 4.46Å; L212-W215 PolarHBondContact O-NE1 3.09Å; H213-W215 PolarHBondContact O-N 2.92Å; W215-K218 PolarHBondContact O-N 3.29Å; W215-A219 HydrophobicContact CE3-CB 3.92Å; W215-A219 HydrophobicContact CZ3-CB 4.24Å; W215-A219 VanDerWaalsContact O-CB 3.24Å; W215-A219 WeakPolarHBondContact O-CB 3.31Å; W215-A219 PolarHBondContact O-N 3.21Å; W215-L231 HydrophobicContact CZ3-CD2 4.45Å; W215-L236 HydrophobicContact CH2-CD2 3.75Å; W215-L236 HydrophobicContact CZ2-CD2 4.17Å
216L95.8Very high95.1Very high0 Ų018.5 Ų18.50%010%0.102CC..Hα-helixtrans-69.6-51.9-169-170.6163.4000112.3P208 H213 L214 K218 A219 H220 L236 A287 I291P208-L216 HydrophobicContact CB-CD1 4.22Å; P208-L216 HydrophobicContact CG-CD1 3.52Å; H213-L216 WeakPolarHBondContact O-CB 3.08Å; H213-L216 PolarHBondContact O-N 3.06Å; L214-L216 VanDerWaalsContact C-N 3.3Å; L216-K218 PolarHBondContact O-N 2.7Å; L216-A219 PolarHBondContact O-N 3.06Å; L216-A219 VanDerWaalsContact O-N 3.16Å; L216-H220 WeakPolarHBondContact CD2-CD2 3.4Å; L216-H220 WeakPolarHBondContact CG-CD2 3.41Å; L216-H220 PolarHBondContact O-CD2 2.92Å; L216-H220 PolarHBondContact O-N 3.16Å; L216-L236 HydrophobicContact CD1-CD1 3.91Å; L216-L236 HydrophobicContact CD1-CD2 3.55Å; L216-L236 HydrophobicContact CD1-CG 4.38Å; L216-A287 HydrophobicContact CD2-CB 3.63Å; L216-A287 WeakPolarHBondContact CD2-O 3.4Å; L216-I291 HydrophobicContact CB-CD1 4.38Å; L216-I291 HydrophobicContact CB-CG1 4.5Å; L216-I291 HydrophobicContact CD1-CG1 3.94Å; L216-I291 HydrophobicContact CD2-CD1 4.32Å; L216-I291 HydrophobicContact CD2-CG1 4.22Å; L216-I291 HydrophobicContact CG-CG1 4.46Å
217P96.1Very high95.2Very high12 Ų1218.6 Ų18.68%0.07810%0.104CC..Hα-helixtrans-56.1-39177.7-26.235.7000112.2H213 V221 Y288 I291H213-P217 WeakPolarHBondContact O-CD 3.39Å; P217-V221 WeakPolarHBondContact O-CB 3.17Å; P217-V221 WeakPolarHBondContact O-CG2 3.21Å; P217-V221 PolarHBondContact O-N 3.07Å; P217-V221 VanDerWaalsContact O-N 3.1Å; P217-Y288 HydrophobicContact CB-CE2 3.91Å; P217-Y288 HydrophobicContact CG-CD1 4.23Å; P217-Y288 HydrophobicContact CG-CD2 4.37Å; P217-Y288 HydrophobicContact CG-CE1 3.7Å; P217-Y288 HydrophobicContact CG-CE2 3.83Å; P217-Y288 VanDerWaalsContact CG-CZ 3.48Å; P217-I291 HydrophobicContact CG-CD1 4.1Å
218K95.4Very high95.5Very high82 Ų8218.6 Ų18.636%0.35710%0.104SC..Hα-helixtrans-67.8-48.6176.4-64.3176.8-178.91720112A145 Y148 W215 L216 E222A145-K218 HydrophobicContact CB-CB 3.98Å; Y148-K218 HydrophobicContact CD2-CD 3.81Å; Y148-K218 HydrophobicContact CE2-CD 4.1Å; Y148-K218 VanDerWaalsContact CE2-NZ 3.28Å; Y148-K218 HydrophobicContact CG-CD 4.31Å; Y148-K218 VanDerWaalsContact CZ-NZ 3.26Å; W215-K218 PolarHBondContact O-N 3.29Å; L216-K218 PolarHBondContact O-N 2.7Å; K218-E222 WeakPolarHBondContact O-CB 3.47Å; K218-E222 WeakPolarHBondContact O-CG 3.25Å; K218-E222 PolarHBondContact O-N 3.17Å; K218-E222 VanDerWaalsContact O-N 3.07Å
219A96.3Very high96Very high0 Ų018.5 Ų18.50%010%0.104CC..Hα-helixtrans-63.1-44.7-177.500000112.1W215 L216 A223 L231W215-A219 HydrophobicContact CE3-CB 3.92Å; W215-A219 HydrophobicContact CZ3-CB 4.24Å; W215-A219 VanDerWaalsContact O-CB 3.24Å; W215-A219 WeakPolarHBondContact O-CB 3.31Å; W215-A219 PolarHBondContact O-N 3.21Å; L216-A219 PolarHBondContact O-N 3.06Å; L216-A219 VanDerWaalsContact O-N 3.16Å; A219-A223 WeakPolarHBondContact O-CB 3.42Å; A219-A223 PolarHBondContact O-N 2.92Å; A219-L231 HydrophobicContact CB-CD1 4.37Å
220H95.8Very high96.1Very high0 Ų018.4 Ų18.40%010%0.103CC..Hα-helixtrans-70.6-41.3178.5-81-94.2000113.3L216 E222 S228 L231 A232 A287 F327L216-H220 WeakPolarHBondContact CD2-CD2 3.4Å; L216-H220 WeakPolarHBondContact CG-CD2 3.41Å; L216-H220 PolarHBondContact O-CD2 2.92Å; L216-H220 PolarHBondContact O-N 3.16Å; H220-E222 VanDerWaalsContact C-N 3.33Å; H220-S228 PolarHBondContact O-OG 3.39Å; H220-S228 VanDerWaalsContact O-OG 3.1Å; H220-L231 VanDerWaalsContact CE1-CB 3.42Å; H220-L231 WeakPolarHBondContact CE1-CB 3.4Å; H220-A232 PolarHBondContact CE1-N 3.46Å; H220-A232 VanDerWaalsContact CE1-N 3.3Å; H220-A287 HydrophobicContact CB-CB 3.98Å; H220-F327 HydrophobicContact CB-CE1 4.09Å; H220-F327 HydrophobicContact CB-CZ 3.9Å; H220-F327 AromaticContact CE1-CE2 3.91Å; H220-F327 AromaticContact CG-CZ 3.77Å; H220-F327 AromaticContact ND1-CE1 4Å; H220-F327 AromaticContact ND1-CE2 3.39Å; H220-F327 WeakPolarHBondContact ND1-CE2 3.36Å; H220-F327 AromaticContact ND1-CZ 3.23Å; H220-F327 WeakPolarHBondContact ND1-CZ 3.34Å
221V94.7Very high96.2Very high11 Ų1115.8 Ų15.87%0.0679%0.093CC..Hα-helixtrans-67.4-39.3-176.8170.80000110.6P217 K283 R340P217-V221 WeakPolarHBondContact O-CB 3.17Å; P217-V221 WeakPolarHBondContact O-CG2 3.21Å; P217-V221 PolarHBondContact O-N 3.07Å; P217-V221 VanDerWaalsContact O-N 3.1Å; V221-K283 HydrophobicContact CG2-CB 3.99Å; V221-R340 PolarHBondContact O-NH1 2.95Å
222E95.8Very high96.2Very high16 Ų1613.6 Ų13.68%0.0757%0.07CC..Hα-helixtrans-90.9-14.1-177.9-56-48.915400115.6G137 Q139 E141 R142 A145 K218 H220 R340G137-E222 WeakPolarHBondContact CA-O 3.4Å; Q139-E222 WeakPolarHBondContact CB-OE2 3.41Å; Q139-E222 WeakPolarHBondContact CG-OE2 3.02Å; E141-E222 HydrophobicContact CB-CG 4.1Å; R142-E222 HydrophobicContact CB-CB 4.17Å; A145-E222 HydrophobicContact CB-CB 4.12Å; A145-E222 HydrophobicContact CB-CG 4.26Å; K218-E222 WeakPolarHBondContact O-CB 3.47Å; K218-E222 WeakPolarHBondContact O-CG 3.25Å; K218-E222 PolarHBondContact O-N 3.17Å; K218-E222 VanDerWaalsContact O-N 3.07Å; H220-E222 VanDerWaalsContact C-N 3.33Å; E222-R340 VanDerWaalsContact CD-NH1 3.34Å; E222-R340 IonicContact OE1-CZ 2.88Å; E222-R340 IonicContact OE1-NH1 2.67Å; E222-R340 PolarHBondContact OE1-NH1 2.99Å; E222-R340 IonicContact OE1-NH2 3.79Å; E222-R340 PolarHBondContact OE1-NH2 3.16Å; E222-R340 IonicContact OE2-CZ 3.53Å; E222-R340 IonicContact OE2-NH1 3.17Å; E222-R340 PolarHBondContact OE2-NH1 2.98Å; E222-R340 IonicContact OE2-NH2 3.54Å
223A96.4Very high96.3Very high3 Ų311.4 Ų11.43%0.0256%0.058CC..SBendtrans-66.1148.6171.200000112.2I133 A219 L231 K283I133-A223 HydrophobicContact CG1-CB 4.06Å; A219-A223 WeakPolarHBondContact O-CB 3.42Å; A219-A223 PolarHBondContact O-N 2.92Å; A223-L231 HydrophobicContact CB-CD1 4.28Å; A223-K283 PolarHBondContact O-NZ 3.17Å
224P96.3Very high96.2Very high5 Ų510.9 Ų10.93%0.0326%0.056CC..  trans-62.4167.5161.430.5-35.4000110.2Y95 I132 W136 A226 G227 S228Y95-P224 HydrophobicContact CE2-CG 4.36Å; I132-P224 HydrophobicContact CG2-CG 3.56Å; W136-P224 HydrophobicContact CB-CB 4.45Å; W136-P224 HydrophobicContact CB-CG 4.11Å; P224-A226 PolarHBondContact O-N 2.94Å; P224-G227 WeakPolarHBondContact O-CA 3.39Å; P224-G227 PolarHBondContact O-N 3.37Å; P224-S228 PolarHBondContact O-N 3.3Å; P224-S228 PolarHBondContact O-OG 2.93Å
225I96.3Very high96.3Very high2 Ų27.2 Ų7.21%0.014%0.037CC..Hα-helixtrans-56.4-45.6-174.1-175.250.8000113.2X79 G227 S228 M229 F327 N331A79-I225 HydrophobicContact CB-CG1 3.94Å; A79-I225 HydrophobicContact CB-CG2 3.87Å; I225-G227 VanDerWaalsContact C-N 3.3Å; I225-G227 PolarHBondContact O-N 2.84Å; I225-S228 WeakPolarHBondContact O-CB 3.24Å; I225-S228 PolarHBondContact O-N 2.74Å; I225-S228 VanDerWaalsContact O-N 3.16Å; I225-M229 HydrophobicContact CD1-CG 4.03Å; I225-M229 HydrophobicContact CD1-SD 4.34Å; I225-M229 HydrophobicContact CG1-CG 4.31Å; I225-M229 HydrophobicContact CG1-SD 4Å; I225-M229 VanDerWaalsContact O-CG 3.26Å; I225-M229 WeakPolarHBondContact O-CG 3.19Å; I225-M229 PolarHBondContact O-N 3Å; I225-F327 HydrophobicContact CD1-CB 4.02Å; I225-F327 WeakPolarHBondContact CD1-O 3.49Å; I225-N331 HydrophobicContact CB-CB 4.19Å; I225-N331 HydrophobicContact CD1-CB 3.71Å; I225-N331 HydrophobicContact CG1-CB 3.81Å
226A95.6Very high96.2Very high0 Ų07.1 Ų7.10%04%0.037CC..Hα-helixtrans-61.1-40.4177.600000112.3T76 Y95 L99 P224 M229 V230T76-A226 HydrophobicContact CG2-CB 4.22Å; Y95-A226 HydrophobicContact CE1-CB 4.42Å; Y95-A226 WeakPolarHBondContact OH-CB 3.44Å; L99-A226 HydrophobicContact CD1-CB 4.15Å; L99-A226 HydrophobicContact CD2-CB 3.85Å; P224-A226 PolarHBondContact O-N 2.94Å; A226-M229 PolarHBondContact O-N 3.38Å; A226-V230 WeakPolarHBondContact O-CB 3.06Å; A226-V230 VanDerWaalsContact O-CG2 3.26Å; A226-V230 WeakPolarHBondContact O-CG2 3.49Å; A226-V230 PolarHBondContact O-N 3.18Å
227G95.7Very high96.3Very high5 Ų57.1 Ų7.15%0.0524%0.037CC..Hα-helixtrans-62.2-45175.900000111.3P224 I225 M229 V230 L231P224-G227 WeakPolarHBondContact O-CA 3.39Å; P224-G227 PolarHBondContact O-N 3.37Å; I225-G227 VanDerWaalsContact C-N 3.3Å; I225-G227 PolarHBondContact O-N 2.84Å; G227-M229 PolarHBondContact O-N 2.98Å; G227-V230 PolarHBondContact O-N 3.44Å; G227-L231 VanDerWaalsContact O-CB 3.24Å; G227-L231 WeakPolarHBondContact O-CB 3.46Å; G227-L231 WeakPolarHBondContact O-CD1 3.47Å; G227-L231 WeakPolarHBondContact O-CG 3.39Å; G227-L231 PolarHBondContact O-N 2.71Å
228S96.8Very high96.2Very high0 Ų06.5 Ų6.50%03%0.033CC..Hα-helixtrans-60-44.4176.5-53.80000112H220 P224 I225 A232H220-S228 PolarHBondContact O-OG 3.39Å; H220-S228 VanDerWaalsContact O-OG 3.1Å; P224-S228 PolarHBondContact O-N 3.3Å; P224-S228 PolarHBondContact O-OG 2.93Å; I225-S228 WeakPolarHBondContact O-CB 3.24Å; I225-S228 PolarHBondContact O-N 2.74Å; I225-S228 VanDerWaalsContact O-N 3.16Å; S228-A232 VanDerWaalsContact O-CB 3.29Å; S228-A232 WeakPolarHBondContact O-CB 3.48Å; S228-A232 PolarHBondContact O-N 3.34Å
229M97.7Very high96.2Very high0 Ų02.6 Ų2.60%02%0.016CC..Hα-helixtrans-63.3-50.7179.2-68.1167.473.700111.7L75 T76 X79 I225 A226 G227 A232 A233 C328 H440L75-M229 HydrophobicContact CB-CE 3.88Å; T76-M229 HydrophobicContact CG2-CB 3.98Å; T76-M229 HydrophobicContact CG2-CE 3.89Å; T76-M229 HydrophobicContact CG2-SD 3.93Å; A79-M229 HydrophobicContact CB-CE 4.46Å; A79-M229 HydrophobicContact CB-SD 3.59Å; A79-M229 VanDerWaalsContact CB-SD 3.59Å; I225-M229 HydrophobicContact CD1-CG 4.03Å; I225-M229 HydrophobicContact CD1-SD 4.34Å; I225-M229 HydrophobicContact CG1-CG 4.31Å; I225-M229 HydrophobicContact CG1-SD 4Å; I225-M229 VanDerWaalsContact O-CG 3.26Å; I225-M229 WeakPolarHBondContact O-CG 3.19Å; I225-M229 PolarHBondContact O-N 3Å; A226-M229 PolarHBondContact O-N 3.38Å; G227-M229 PolarHBondContact O-N 2.98Å; M229-A232 PolarHBondContact O-N 2.64Å; M229-A233 WeakPolarHBondContact O-CB 3.38Å; M229-A233 PolarHBondContact O-N 3.46Å; M229-C328 PolarHBondContact SD-SG 3.44Å; M229-H440 WeakPolarHBondContact CE-NE2 3.4Å
230V97.2Very high96.2Very high5 Ų52.6 Ų2.63%0.032%0.016CC..Hα-helixtrans-64.2-43.8-179.4172.90000111.2L72 T76 L102 L106 A226 G227 A232 V234 L235L72-V230 HydrophobicContact CD2-CB 4.25Å; L72-V230 HydrophobicContact CD2-CG2 3.44Å; L72-V230 VanDerWaalsContact CD2-CG2 3.44Å; T76-V230 HydrophobicContact CG2-CG2 3.9Å; L102-V230 HydrophobicContact CD1-CG1 3.79Å; L102-V230 HydrophobicContact CD2-CB 4.42Å; L102-V230 HydrophobicContact CD2-CG1 3.37Å; L102-V230 HydrophobicContact CD2-CG2 4.15Å; L102-V230 HydrophobicContact CG-CG1 4.18Å; L106-V230 HydrophobicContact CD1-CG1 4.44Å; A226-V230 WeakPolarHBondContact O-CB 3.06Å; A226-V230 VanDerWaalsContact O-CG2 3.26Å; A226-V230 WeakPolarHBondContact O-CG2 3.49Å; A226-V230 PolarHBondContact O-N 3.18Å; G227-V230 PolarHBondContact O-N 3.44Å; V230-A232 VanDerWaalsContact C-N 3.33Å; V230-A232 PolarHBondContact O-N 2.99Å; V230-V234 PolarHBondContact O-N 3.2Å; V230-L235 HydrophobicContact CG1-CD1 3.79Å; V230-L235 HydrophobicContact CG1-CG 4.07Å; V230-L235 PolarHBondContact O-N 3.04Å; V230-L235 VanDerWaalsContact O-N 3.15Å
231L96.4Very high96.2Very high2 Ų22.7 Ų2.71%0.012%0.016CC..Iπ-helixtrans-55.2-52.1175-77.3164.7000110.3I133 F149 W215 A219 H220 A223 G227 L235 L236I133-L231 HydrophobicContact CD1-CD1 4.12Å; F149-L231 HydrophobicContact CE2-CD2 4.02Å; F149-L231 HydrophobicContact CZ-CD2 4.29Å; W215-L231 HydrophobicContact CZ3-CD2 4.45Å; A219-L231 HydrophobicContact CB-CD1 4.37Å; H220-L231 VanDerWaalsContact CE1-CB 3.42Å; H220-L231 WeakPolarHBondContact CE1-CB 3.4Å; A223-L231 HydrophobicContact CB-CD1 4.28Å; G227-L231 VanDerWaalsContact O-CB 3.24Å; G227-L231 WeakPolarHBondContact O-CB 3.46Å; G227-L231 WeakPolarHBondContact O-CD1 3.47Å; G227-L231 WeakPolarHBondContact O-CG 3.39Å; G227-L231 PolarHBondContact O-N 2.71Å; L231-L235 HydrophobicContact CB-CD1 4.42Å; L231-L235 HydrophobicContact CD2-CB 4.32Å; L231-L235 HydrophobicContact CD2-CD1 3.47Å; L231-L235 VanDerWaalsContact CD2-CD1 3.47Å; L231-L235 HydrophobicContact CG-CD1 3.91Å; L231-L235 PolarHBondContact O-N 3.17Å; L231-L236 WeakPolarHBondContact O-CG 3.18Å; L231-L236 PolarHBondContact O-N 2.94Å
232A95.8Very high96.3Very high0 Ų02.1 Ų2.10%01%0.013CC..Iπ-helixtrans-67.5-47.9-174.400000111.2H220 S228 M229 V230 K237 S323 F327H220-A232 PolarHBondContact CE1-N 3.46Å; H220-A232 VanDerWaalsContact CE1-N 3.3Å; S228-A232 VanDerWaalsContact O-CB 3.29Å; S228-A232 WeakPolarHBondContact O-CB 3.48Å; S228-A232 PolarHBondContact O-N 3.34Å; M229-A232 PolarHBondContact O-N 2.64Å; V230-A232 VanDerWaalsContact C-N 3.33Å; V230-A232 PolarHBondContact O-N 2.99Å; A232-K237 PolarHBondContact O-NZ 3.46Å; A232-S323 WeakPolarHBondContact CB-OG 3.3Å; A232-F327 HydrophobicContact CB-CD2 3.82Å; A232-F327 HydrophobicContact CB-CE2 3.65Å
233A96.8Very high96.3Very high0 Ų01.8 Ų1.80%01%0.012CC..Iπ-helixtrans-78.5-38.7-168.600000113.6L68 L72 M229 K237 G320L68-A233 WeakPolarHBondContact CD2-O 2.84Å; L72-A233 HydrophobicContact CD1-CB 3.11Å; M229-A233 WeakPolarHBondContact O-CB 3.38Å; M229-A233 PolarHBondContact O-N 3.46Å; A233-K237 WeakPolarHBondContact O-CD 3.37Å; A233-K237 WeakPolarHBondContact O-CE 3.49Å; A233-G320 WeakPolarHBondContact CB-O 3.37Å
234V96.7Very high96.2Very high3 Ų32.2 Ų2.22%0.0181%0.013CC..Iπ-helixtrans-123.8-44.4-168.4-172.70000113.2L68 T69 L106 F110 V230 L236 K237 L238L68-V234 HydrophobicContact CD2-CG2 4.49Å; T69-V234 HydrophobicContact CG2-CB 4.41Å; T69-V234 HydrophobicContact CG2-CG1 3.47Å; T69-V234 VanDerWaalsContact CG2-CG1 3.47Å; T69-V234 HydrophobicContact CG2-CG2 4Å; L106-V234 HydrophobicContact CD1-CB 4.23Å; L106-V234 HydrophobicContact CD1-CG1 3.8Å; L106-V234 HydrophobicContact CD2-CG1 3.77Å; L106-V234 HydrophobicContact CG-CG1 4.32Å; F110-V234 HydrophobicContact CE2-CG1 3.57Å; F110-V234 HydrophobicContact CZ-CG1 3.75Å; V230-V234 PolarHBondContact O-N 3.2Å; V234-L236 VanDerWaalsContact C-N 3.34Å; V234-L236 PolarHBondContact O-N 3.31Å; V234-K237 WeakPolarHBondContact O-CA 3.17Å; V234-K237 WeakPolarHBondContact O-CB 3.26Å; V234-K237 PolarHBondContact O-N 3.45Å; V234-L238 PolarHBondContact O-N 3.49Å
235L96.9Very high96Very high3 Ų32.5 Ų2.52%0.0161%0.014CC..Iπ-helixtrans-67.9-33.6-170.8-66.5165.9000113L106 T129 V230 L231 K237 L238L106-L235 HydrophobicContact CD2-CD2 3.97Å; T129-L235 HydrophobicContact CG2-CD1 3.29Å; T129-L235 HydrophobicContact CG2-CD2 4.26Å; T129-L235 HydrophobicContact CG2-CG 4.44Å; V230-L235 HydrophobicContact CG1-CD1 3.79Å; V230-L235 HydrophobicContact CG1-CG 4.07Å; V230-L235 PolarHBondContact O-N 3.04Å; V230-L235 VanDerWaalsContact O-N 3.15Å; L231-L235 HydrophobicContact CB-CD1 4.42Å; L231-L235 HydrophobicContact CD2-CB 4.32Å; L231-L235 HydrophobicContact CD2-CD1 3.47Å; L231-L235 VanDerWaalsContact CD2-CD1 3.47Å; L231-L235 HydrophobicContact CG-CD1 3.91Å; L231-L235 PolarHBondContact O-N 3.17Å; L235-K237 VanDerWaalsContact C-N 3.26Å; L235-K237 PolarHBondContact O-N 2.92Å; L235-L238 HydrophobicContact CD2-CD1 3.79Å; L235-L238 WeakPolarHBondContact O-CB 3.18Å; L235-L238 PolarHBondContact O-N 2.97Å
236L95.6Very high95.8Very high0 Ų02.6 Ų2.60%01%0.014CC..Hα-helixtrans-64.1-34.8171.4-56.8178000111.5K206 M207 P208 W215 L216 L231 V234 L238 G239 M294K206-L236 VanDerWaalsContact O-CD2 3.25Å; K206-L236 WeakPolarHBondContact O-CD2 3.37Å; M207-L236 WeakPolarHBondContact CG-O 3.39Å; P208-L236 HydrophobicContact CG-CD2 4.44Å; W215-L236 HydrophobicContact CH2-CD2 3.75Å; W215-L236 HydrophobicContact CZ2-CD2 4.17Å; L216-L236 HydrophobicContact CD1-CD1 3.91Å; L216-L236 HydrophobicContact CD1-CD2 3.55Å; L216-L236 HydrophobicContact CD1-CG 4.38Å; L231-L236 WeakPolarHBondContact O-CG 3.18Å; L231-L236 PolarHBondContact O-N 2.94Å; V234-L236 VanDerWaalsContact C-N 3.34Å; V234-L236 PolarHBondContact O-N 3.31Å; L236-L238 VanDerWaalsContact C-N 3.28Å; L236-L238 PolarHBondContact O-N 3.15Å; L236-G239 PolarHBondContact O-N 3.48Å; L236-M294 HydrophobicContact CB-CG 4.31Å; L236-M294 HydrophobicContact CB-SD 4.28Å; L236-M294 HydrophobicContact CD1-CG 4.12Å
237K97.3Very high95.6Very high0 Ų03.3 Ų3.30%02%0.018CC..Hα-helixtrans-73.7-21.3-176.4-73.556.8168.3175.40112L65 A232 A233 V234 L235 G239 G240 Y241 M294 M316 H319L65-K237 HydrophobicContact CD2-CB 4Å; L65-K237 HydrophobicContact CD2-CG 4.21Å; A232-K237 PolarHBondContact O-NZ 3.46Å; A233-K237 WeakPolarHBondContact O-CD 3.37Å; A233-K237 WeakPolarHBondContact O-CE 3.49Å; V234-K237 WeakPolarHBondContact O-CA 3.17Å; V234-K237 WeakPolarHBondContact O-CB 3.26Å; V234-K237 PolarHBondContact O-N 3.45Å; L235-K237 VanDerWaalsContact C-N 3.26Å; L235-K237 PolarHBondContact O-N 2.92Å; K237-G239 PolarHBondContact O-N 3.3Å; K237-G240 PolarHBondContact O-N 3.34Å; K237-G240 VanDerWaalsContact O-N 3.15Å; K237-Y241 WeakPolarHBondContact O-CB 3.49Å; K237-Y241 PolarHBondContact O-N 2.93Å; K237-M294 HydrophobicContact CD-SD 4.23Å; K237-M316 HydrophobicContact CB-SD 4.19Å; K237-M316 WeakPolarHBondContact CE-O 3.41Å; K237-M316 HydrophobicContact CG-CB 3.78Å; K237-M316 HydrophobicContact CG-CG 3.92Å; K237-M316 HydrophobicContact CG-SD 4.06Å; K237-H319 PolarHBondContact NZ-CD2 2.95Å; K237-H319 VanDerWaalsContact NZ-CD2 3.33Å
238L96Very high95.2Very high0 Ų06.2 Ų6.20%03%0.032CC..Hα-helixtrans-58-35.1170-69.1175.1000112.1L106 T109 F110 F122 T125 V234 L235 L236 G242L106-L238 HydrophobicContact CD2-CD1 3.8Å; L106-L238 HydrophobicContact CD2-CD2 4.12Å; L106-L238 HydrophobicContact CD2-CG 4.2Å; T109-L238 HydrophobicContact CG2-CD2 4.41Å; T109-L238 WeakPolarHBondContact OG1-CD2 3.49Å; F110-L238 HydrophobicContact CD1-CD2 4.36Å; F110-L238 HydrophobicContact CE1-CD2 3.65Å; F110-L238 HydrophobicContact CE2-CD2 3.96Å; F110-L238 HydrophobicContact CZ-CD2 3.42Å; F110-L238 VanDerWaalsContact CZ-CD2 3.42Å; F110-L238 HydrophobicContact CZ-CG 4.15Å; F122-L238 HydrophobicContact CD2-CB 4.03Å; F122-L238 HydrophobicContact CD2-CD1 4.18Å; F122-L238 HydrophobicContact CE2-CB 4.02Å; T125-L238 HydrophobicContact CG2-CD1 4.16Å; V234-L238 PolarHBondContact O-N 3.49Å; L235-L238 HydrophobicContact CD2-CD1 3.79Å; L235-L238 WeakPolarHBondContact O-CB 3.18Å; L235-L238 PolarHBondContact O-N 2.97Å; L236-L238 VanDerWaalsContact C-N 3.28Å; L236-L238 PolarHBondContact O-N 3.15Å; L238-G242 PolarHBondContact O-N 3.13Å
239G95.5Very high95Very high0 Ų06.7 Ų6.70%04%0.035CC..Hα-helixtrans-67-43.7174.800000111.7F203 L236 K237 G242 M243F203-G239 WeakPolarHBondContact CB-O 3.32Å; L236-G239 PolarHBondContact O-N 3.48Å; K237-G239 PolarHBondContact O-N 3.3Å; G239-G242 PolarHBondContact O-N 3.48Å; G239-M243 WeakPolarHBondContact O-CG 3.21Å; G239-M243 PolarHBondContact O-N 3.03Å
240G95.7Very high94.7Very high0 Ų06.9 Ų6.90%04%0.036CC..Hα-helixtrans-64.8-46.217800000112.3M207 K237 G242 M243 M244M207-G240 VanDerWaalsContact CE-CA 3.48Å; M207-G240 VanDerWaalsContact CG-N 3.33Å; M207-G240 WeakPolarHBondContact SD-CA 3.11Å; M207-G240 PolarHBondContact SD-N 3.33Å; K237-G240 PolarHBondContact O-N 3.34Å; K237-G240 VanDerWaalsContact O-N 3.15Å; G240-G242 PolarHBondContact O-N 3.43Å; G240-M243 PolarHBondContact O-N 2.92Å; G240-M244 WeakPolarHBondContact O-CG 3.27Å; G240-M244 PolarHBondContact O-N 3.48Å
241Y95.9Very high94.4Very high1 Ų19.8 Ų9.80%0.0045%0.051CC..Hα-helixtrans-53.1-53.1171.6176.7-97.5000111.8L61 T62 L65 F110 F118 K237 M243 M244 R245L61-Y241 HydrophobicContact CD2-CD2 3.19Å; L61-Y241 HydrophobicContact CD2-CE2 3.44Å; L61-Y241 VanDerWaalsContact CD2-CE2 3.44Å; L61-Y241 HydrophobicContact CD2-CG 4.38Å; T62-Y241 HydrophobicContact CG2-CD2 4.33Å; T62-Y241 HydrophobicContact CG2-CE2 3.36Å; L65-Y241 HydrophobicContact CD1-CD2 3.96Å; L65-Y241 HydrophobicContact CD1-CG 4.47Å; F110-Y241 HydrophobicContact CD1-CD1 4.11Å; F110-Y241 AromaticContact CD1-CD2 3.77Å; F110-Y241 HydrophobicContact CD1-CD2 3.77Å; F110-Y241 HydrophobicContact CD1-CE1 4.49Å; F110-Y241 HydrophobicContact CD1-CE2 4.27Å; F110-Y241 AromaticContact CD1-CG 3.74Å; F110-Y241 HydrophobicContact CD1-CG 3.74Å; F110-Y241 HydrophobicContact CE1-CD1 4.44Å; F110-Y241 HydrophobicContact CE1-CD2 4.25Å; F110-Y241 AromaticContact CE1-CG 3.92Å; F110-Y241 HydrophobicContact CE1-CG 3.92Å; F110-Y241 PolarHBondContact O-OH 3.49Å; F110-Y241 VanDerWaalsContact O-OH 3.1Å; F118-Y241 HydrophobicContact CD2-CD1 4.11Å; F118-Y241 AromaticContact CD2-CE1 3.66Å; F118-Y241 HydrophobicContact CD2-CE1 3.66Å; F118-Y241 AromaticContact CE2-CD1 3.41Å; F118-Y241 HydrophobicContact CE2-CD1 3.41Å; F118-Y241 VanDerWaalsContact CE2-CD1 3.41Å; F118-Y241 AromaticContact CE2-CE1 3.46Å; F118-Y241 HydrophobicContact CE2-CE1 3.46Å; F118-Y241 VanDerWaalsContact CE2-CE1 3.46Å; F118-Y241 HydrophobicContact CZ-CD1 4Å; F118-Y241 HydrophobicContact CZ-CE1 4.31Å; K237-Y241 WeakPolarHBondContact O-CB 3.49Å; K237-Y241 PolarHBondContact O-N 2.93Å; Y241-M243 PolarHBondContact O-N 3.44Å; Y241-M244 PolarHBondContact O-N 3.01Å; Y241-R245 HydrophobicContact CD1-CG 4.47Å; Y241-R245 HydrophobicContact CE1-CG 3.98Å; Y241-R245 HydrophobicContact CE2-CG 4.15Å; Y241-R245 WeakPolarHBondContact O-CG 3.35Å; Y241-R245 PolarHBondContact O-N 2.95Å; Y241-R245 PolarHBondContact OH-NE 2.99Å; Y241-R245 PolarHBondContact OH-NH2 3.03Å
242G95.9Very high94.2Very high0 Ų012 Ų120%07%0.066CC..Hα-helixtrans-61.6-43.1-17900000112.9F203 L238 G239 G240 R245 L246F203-G242 WeakPolarHBondContact CE2-O 3.39Å; F203-G242 VanDerWaalsContact CZ-CA 3.47Å; L238-G242 PolarHBondContact O-N 3.13Å; G239-G242 PolarHBondContact O-N 3.48Å; G240-G242 PolarHBondContact O-N 3.43Å; G242-R245 PolarHBondContact O-N 3.49Å; G242-L246 PolarHBondContact O-N 3.28Å
243M95.1Very high94.1Very high9 Ų912.3 Ų12.34%0.0447%0.067CC..Hα-helixtrans-61.9-47175.8-73.7-172.66600111.9F203 M204 M207 G239 G240 Y241 R245 L246 T247 I301 L302F203-M243 HydrophobicContact CB-CG 3.48Å; F203-M243 VanDerWaalsContact CB-CG 3.48Å; F203-M243 HydrophobicContact CB-SD 4.27Å; F203-M243 HydrophobicContact CD2-CG 3.84Å; F203-M243 HydrophobicContact CG-CG 4.02Å; M204-M243 HydrophobicContact CE-CE 3.31Å; M204-M243 HydrophobicContact CE-SD 3.81Å; M204-M243 HydrophobicContact SD-CE 4.18Å; M204-M243 HydrophobicContact SD-SD 3.86Å; M207-M243 HydrophobicContact CE-CG 4.13Å; M207-M243 HydrophobicContact CE-SD 3.27Å; M207-M243 WeakPolarHBondContact CE-SD 3.46Å; G239-M243 WeakPolarHBondContact O-CG 3.21Å; G239-M243 PolarHBondContact O-N 3.03Å; G240-M243 PolarHBondContact O-N 2.92Å; Y241-M243 PolarHBondContact O-N 3.44Å; M243-R245 VanDerWaalsContact C-N 3.25Å; M243-R245 PolarHBondContact O-N 3.17Å; M243-L246 PolarHBondContact O-N 3.04Å; M243-L246 VanDerWaalsContact O-N 3.17Å; M243-T247 VanDerWaalsContact O-CG2 3.24Å; M243-T247 WeakPolarHBondContact O-CG2 3.41Å; M243-T247 PolarHBondContact O-N 3.48Å; M243-I301 HydrophobicContact CB-CG2 3.69Å; M243-I301 HydrophobicContact CE-CG2 3.95Å; M243-L302 HydrophobicContact CE-CD2 3.75Å; M243-L302 HydrophobicContact CE-CG 4.14Å
244M94.6Very high93.9Very high12 Ų1212.5 Ų12.56%0.0597%0.068CC..Hα-helixtrans-61.6-31.2177.8-71.6179.2176.900112.9L61 G240 Y241 T247 I301 F309 A312 V313 M316L61-M244 HydrophobicContact CD1-CB 3.83Å; L61-M244 HydrophobicContact CD1-CG 4.28Å; L61-M244 HydrophobicContact CD1-SD 3.44Å; L61-M244 WeakPolarHBondContact CD1-SD 3.3Å; L61-M244 HydrophobicContact CG-SD 4.19Å; G240-M244 WeakPolarHBondContact O-CG 3.27Å; G240-M244 PolarHBondContact O-N 3.48Å; Y241-M244 PolarHBondContact O-N 3.01Å; M244-T247 PolarHBondContact O-OG1 2.98Å; M244-I301 HydrophobicContact CE-CD1 3.86Å; M244-I301 HydrophobicContact CE-CG1 3.6Å; M244-I301 HydrophobicContact CG-CD1 4.07Å; M244-I301 HydrophobicContact CG-CG1 3.98Å; M244-I301 HydrophobicContact CG-CG2 4.29Å; M244-F309 HydrophobicContact CE-CD1 4.18Å; M244-F309 HydrophobicContact CG-CD1 4.28Å; M244-F309 HydrophobicContact CG-CE1 4.39Å; M244-A312 HydrophobicContact CE-CB 3.37Å; M244-V313 HydrophobicContact CE-CG2 3.82Å; M244-V313 HydrophobicContact SD-CG2 3.9Å; M244-M316 HydrophobicContact CE-CE 3.8Å; M244-M316 HydrophobicContact SD-CE 4.11Å
245R92.9Very high93.6Very high11 Ų1119.4 Ų19.44%0.04210%0.098CC..Hα-helixtrans-73.1-41.3173.4-68.7-58.2-167.2-162.1-5112.5D59 L115 I176 Y241 G242 M243D59-R245 IonicContact OD1-CZ 2.71Å; D59-R245 IonicContact OD1-NH2 3.04Å; D59-R245 PolarHBondContact OD1-NH2 2.68Å; D59-R245 IonicContact OD2-CZ 3.04Å; D59-R245 IonicContact OD2-NH1 3.93Å; D59-R245 PolarHBondContact OD2-NH1 3.33Å; D59-R245 IonicContact OD2-NH2 2.96Å; D59-R245 PolarHBondContact OD2-NH2 2.86Å; L115-R245 HydrophobicContact CD2-CB 4.4Å; I176-R245 HydrophobicContact CD1-CG 4.42Å; Y241-R245 HydrophobicContact CD1-CG 4.47Å; Y241-R245 HydrophobicContact CE1-CG 3.98Å; Y241-R245 HydrophobicContact CE2-CG 4.15Å; Y241-R245 WeakPolarHBondContact O-CG 3.35Å; Y241-R245 PolarHBondContact O-N 2.95Å; Y241-R245 PolarHBondContact OH-NE 2.99Å; Y241-R245 PolarHBondContact OH-NH2 3.03Å; G242-R245 PolarHBondContact O-N 3.49Å; M243-R245 VanDerWaalsContact C-N 3.25Å; M243-R245 PolarHBondContact O-N 3.17Å
246L92.6Very high93.4Very high4 Ų425.2 Ų25.22%0.02113%0.125CC..Hα-helixtrans-77.1-17.9-179-67.7-163.7000113.8L115 L160 L164 Y199 F203 G242 M243 L248 I249 L250L115-L246 HydrophobicContact CD1-CD2 3.7Å; L115-L246 HydrophobicContact CD2-CD2 4.05Å; L115-L246 HydrophobicContact CG-CD2 4.49Å; L160-L246 HydrophobicContact CD1-CD1 4.21Å; L164-L246 HydrophobicContact CD2-CD2 4.44Å; Y199-L246 HydrophobicContact CD1-CD1 3.64Å; Y199-L246 HydrophobicContact CG-CD1 3.95Å; Y199-L246 WeakPolarHBondContact O-CD1 3.43Å; F203-L246 HydrophobicContact CD2-CD1 4.32Å; F203-L246 HydrophobicContact CE2-CD1 3.42Å; F203-L246 VanDerWaalsContact CE2-CD1 3.42Å; F203-L246 HydrophobicContact CE2-CG 3.8Å; F203-L246 HydrophobicContact CZ-CD1 4.19Å; F203-L246 HydrophobicContact CZ-CG 4.47Å; G242-L246 PolarHBondContact O-N 3.28Å; M243-L246 PolarHBondContact O-N 3.04Å; M243-L246 VanDerWaalsContact O-N 3.17Å; L246-L248 PolarHBondContact O-N 2.86Å; L246-I249 HydrophobicContact CD2-CD1 4.29Å; L246-I249 PolarHBondContact O-N 3.15Å; L246-L250 HydrophobicContact CB-CD1 4.11Å; L246-L250 VanDerWaalsContact O-CG 3.3Å; L246-L250 WeakPolarHBondContact O-CG 3.28Å; L246-L250 PolarHBondContact O-N 3.33Å
247T90.3Very high93.4Very high14 Ų1427 Ų279%0.08613%0.134CC..Hα-helixtrans-55.9-26.2176.153.60000113M243 M244 I249 L250 N251 I301 Q304 F309M243-T247 VanDerWaalsContact O-CG2 3.24Å; M243-T247 WeakPolarHBondContact O-CG2 3.41Å; M243-T247 PolarHBondContact O-N 3.48Å; M244-T247 PolarHBondContact O-OG1 2.98Å; T247-I249 VanDerWaalsContact C-N 3.28Å; T247-I249 PolarHBondContact O-N 3.36Å; T247-L250 PolarHBondContact O-N 3.13Å; T247-N251 VanDerWaalsContact O-CG 3.29Å; T247-N251 PolarHBondContact O-ND2 3.36Å; T247-N251 PolarHBondContact O-OD1 3.31Å; T247-I301 HydrophobicContact CG2-CG2 4.29Å; T247-Q304 HydrophobicContact CG2-CG 4.26Å; T247-Q304 VanDerWaalsContact CG2-NE2 3.29Å; T247-F309 HydrophobicContact CG2-CE1 4.49Å; T247-F309 HydrophobicContact CG2-CZ 4.2Å
248L88.2Confident93.3Very high66 Ų6627.2 Ų27.235%0.34614%0.135SC..Hα-helixtrans-59.8-35.9175.2-65.2171.5000113I176 T180 L246I176-L248 HydrophobicContact CG2-CD1 4.33Å; T180-L248 HydrophobicContact CG2-CD1 3.72Å; T180-L248 HydrophobicContact CG2-CD2 4.23Å; L246-L248 PolarHBondContact O-N 2.86Å
249I91.8Very high93.3Very high10 Ų1033 Ų335%0.05116%0.158CC..Hα-helixtrans-91-29.3-177-55.1173.4000111L115 T167 L179 L186 L246 T247 N251L115-I249 HydrophobicContact CD1-CD1 3.77Å; T167-I249 HydrophobicContact CG2-CG2 4.34Å; L179-I249 HydrophobicContact CD1-CD1 4Å; L179-I249 HydrophobicContact CD2-CD1 4.18Å; L179-I249 HydrophobicContact CD2-CG1 4.33Å; L186-I249 VanDerWaalsContact CD1-O 3.29Å; L186-I249 WeakPolarHBondContact CD1-O 2.84Å; L186-I249 WeakPolarHBondContact CG-O 3.25Å; L246-I249 HydrophobicContact CD2-CD1 4.29Å; L246-I249 PolarHBondContact O-N 3.15Å; T247-I249 VanDerWaalsContact C-N 3.28Å; T247-I249 PolarHBondContact O-N 3.36Å; I249-N251 PolarHBondContact O-N 3.32Å
250L92.6Very high93.3Very high5 Ų536.6 Ų36.63%0.02618%0.181CC..Hα-helixtrans-82-10.9-167.1-64.8173.5000114.8L186 W196 Y199 T200 L246 T247 L253 T254L186-L250 HydrophobicContact CD1-CD2 4.42Å; W196-L250 HydrophobicContact CB-CD2 4.35Å; W196-L250 HydrophobicContact CG-CD2 4.14Å; Y199-L250 HydrophobicContact CD2-CD2 3.46Å; Y199-L250 VanDerWaalsContact CD2-CD2 3.46Å; Y199-L250 HydrophobicContact CE2-CD2 4.39Å; Y199-L250 HydrophobicContact CG-CD2 3.99Å; T200-L250 HydrophobicContact CG2-CD1 3.69Å; L246-L250 HydrophobicContact CB-CD1 4.11Å; L246-L250 VanDerWaalsContact O-CG 3.3Å; L246-L250 WeakPolarHBondContact O-CG 3.28Å; L246-L250 PolarHBondContact O-N 3.33Å; T247-L250 PolarHBondContact O-N 3.13Å; L250-L253 PolarHBondContact O-N 3.17Å; L250-T254 HydrophobicContact CB-CG2 3.47Å; L250-T254 VanDerWaalsContact CB-CG2 3.47Å; L250-T254 WeakPolarHBondContact O-CG2 3.46Å; L250-T254 PolarHBondContact O-N 3.04Å
251N90.5Very high93.4Very high65 Ų6537.6 Ų37.635%0.34819%0.186SC..THydrogen-bonded Turntrans-79.2147.5-177.6-67.1-11.2000111.3L186 T247 I249 T254 Q304L186-N251 PolarHBondContact N-O 2.99Å; T247-N251 VanDerWaalsContact O-CG 3.29Å; T247-N251 PolarHBondContact O-ND2 3.36Å; T247-N251 PolarHBondContact O-OD1 3.31Å; I249-N251 PolarHBondContact O-N 3.32Å; N251-T254 PolarHBondContact OD1-OG1 3.1Å; N251-Q304 PolarHBondContact OD1-NE2 2.98Å; N251-Q304 PolarHBondContact OD1-OE1 3.37Å
252P92.2Very high93.4Very high50 Ų5037.8 Ų37.833%0.32519%0.187SC..THydrogen-bonded Turncis-88.11.7-1.534.6-36.7000115.5L186 T254 K255L186-P252 WeakPolarHBondContact O-CD 3.43Å; P252-T254 PolarHBondContact O-N 3.41Å; P252-T254 VanDerWaalsContact O-N 3.15Å; P252-K255 WeakPolarHBondContact O-CB 3.27Å; P252-K255 PolarHBondContact O-N 3.32Å; P252-K255 VanDerWaalsContact O-N 3.15Å
253L93Very high93.4Very high5 Ų542.3 Ų42.33%0.02621%0.214CC..THydrogen-bonded Turntrans-58.3-29.2-175.2-74.4179.6000115L186 N188 N192 L250 K255 H256 M257L186-L253 HydrophobicContact CB-CB 4.5Å; L186-L253 HydrophobicContact CB-CD1 3.37Å; L186-L253 HydrophobicContact CB-CG 3.71Å; L186-L253 HydrophobicContact CD1-CD1 4.04Å; L186-L253 HydrophobicContact CG-CD1 4.32Å; L186-L253 WeakPolarHBondContact O-CG 3.35Å; N188-L253 HydrophobicContact CB-CD2 4.1Å; N192-L253 HydrophobicContact CB-CD1 3.42Å; N192-L253 VanDerWaalsContact CB-CD1 3.42Å; L250-L253 PolarHBondContact O-N 3.17Å; L253-K255 PolarHBondContact O-N 2.89Å; L253-K255 VanDerWaalsContact O-N 3.13Å; L253-H256 PolarHBondContact O-N 3.41Å; L253-M257 PolarHBondContact O-N 3.5Å
254T93.1Very high93.5Very high4 Ų445.2 Ų45.23%0.02523%0.23CC..Hα-helixtrans-48.4-38.2175.349.90000112.3L250 N251 P252 H256 M257 A258 Q304L250-T254 HydrophobicContact CB-CG2 3.47Å; L250-T254 VanDerWaalsContact CB-CG2 3.47Å; L250-T254 WeakPolarHBondContact O-CG2 3.46Å; L250-T254 PolarHBondContact O-N 3.04Å; N251-T254 PolarHBondContact OD1-OG1 3.1Å; P252-T254 PolarHBondContact O-N 3.41Å; P252-T254 VanDerWaalsContact O-N 3.15Å; T254-H256 PolarHBondContact O-N 3.48Å; T254-H256 VanDerWaalsContact O-N 3.16Å; T254-M257 PolarHBondContact O-N 2.95Å; T254-A258 WeakPolarHBondContact O-CB 3.43Å; T254-A258 PolarHBondContact O-N 2.96Å; T254-Q304 VanDerWaalsContact CG2-NE2 3.34Å; T254-Q304 PolarHBondContact OG1-OE1 3.48Å
255K90.9Very high93.7Very high149 Ų14944.7 Ų44.765%0.64823%0.227SC*.Hα-helixtrans-58.2-30.1179.7-65.7-178.6179.5177.30113.4P252 L253 Y259P252-K255 WeakPolarHBondContact O-CB 3.27Å; P252-K255 PolarHBondContact O-N 3.32Å; P252-K255 VanDerWaalsContact O-N 3.15Å; L253-K255 PolarHBondContact O-N 2.89Å; L253-K255 VanDerWaalsContact O-N 3.13Å; K255-Y259 WeakPolarHBondContact O-CE2 3.41Å
256H92Very high93.9Very high125 Ų12544.8 Ų44.858%0.57923%0.228SC*.Hα-helixtrans-99.8-38.8178.3-60.6-60000112.3L253 T254 Y259L253-H256 PolarHBondContact O-N 3.41Å; T254-H256 PolarHBondContact O-N 3.48Å; T254-H256 VanDerWaalsContact O-N 3.16Å; H256-Y259 WeakPolarHBondContact O-CD2 3.26Å
257M94.9Very high94.1Very high37 Ų3751.2 Ų51.218%0.18225%0.253CS..Hα-helixtrans-78.6-19.1-175.6-66.5-61.8-7000113.7N193 W196 L197 L253 T254 Y259 P260N193-M257 HydrophobicContact CB-CE 3.89Å; N193-M257 HydrophobicContact CB-SD 4.04Å; W196-M257 HydrophobicContact CD2-CB 3.55Å; W196-M257 HydrophobicContact CD2-CG 4.11Å; W196-M257 HydrophobicContact CE3-CB 3.7Å; W196-M257 HydrophobicContact CE3-CE 4.03Å; W196-M257 HydrophobicContact CE3-CG 4.32Å; W196-M257 HydrophobicContact CG-CB 4.12Å; W196-M257 HydrophobicContact CG-CG 4.23Å; W196-M257 HydrophobicContact CH2-CB 4.03Å; W196-M257 HydrophobicContact CZ2-CB 3.86Å; W196-M257 HydrophobicContact CZ3-CB 3.96Å; L197-M257 HydrophobicContact CD1-CE 4.43Å; L197-M257 HydrophobicContact CG-CE 4.17Å; L253-M257 PolarHBondContact O-N 3.5Å; T254-M257 PolarHBondContact O-N 2.95Å; M257-Y259 PolarHBondContact O-N 3.27Å; M257-P260 WeakPolarHBondContact O-CD 2.88Å
258A95Very high94.4Very high4 Ų450.5 Ų50.53%0.03325%0.248CC..THydrogen-bonded Turntrans-70-26.6-177.600000114.3T254 F261 L262 L302T254-A258 WeakPolarHBondContact O-CB 3.43Å; T254-A258 PolarHBondContact O-N 2.96Å; A258-F261 PolarHBondContact O-N 2.9Å; A258-F261 VanDerWaalsContact O-N 3.1Å; A258-L262 HydrophobicContact CB-CD1 4Å; A258-L262 HydrophobicContact CB-CG 4.34Å; A258-L262 WeakPolarHBondContact O-CG 3.08Å; A258-L262 PolarHBondContact O-N 3.13Å; A258-L302 HydrophobicContact CB-CB 4.18Å; A258-L302 HydrophobicContact CB-CD2 4.16Å
259Y95.8Very high94.8Very high122 Ų12247.4 Ų47.448%0.47823%0.232SC..Hα-helixtrans-53.5-48.3-170-74.2-77.2000114.8K255 H256 M257 F261 L262 V263 W388K255-Y259 WeakPolarHBondContact O-CE2 3.41Å; H256-Y259 WeakPolarHBondContact O-CD2 3.26Å; M257-Y259 PolarHBondContact O-N 3.27Å; Y259-F261 VanDerWaalsContact C-N 3.31Å; Y259-F261 PolarHBondContact O-N 2.98Å; Y259-L262 PolarHBondContact O-N 3.26Å; Y259-V263 WeakPolarHBondContact O-CG2 3.11Å; Y259-V263 PolarHBondContact O-N 3.24Å; Y259-W388 HydrophobicContact CD1-CH2 4.25Å; Y259-W388 AromaticContact CD1-CZ2 3.94Å; Y259-W388 HydrophobicContact CD1-CZ2 3.94Å; Y259-W388 HydrophobicContact CE1-CH2 4.12Å; Y259-W388 AromaticContact CE1-CZ2 3.55Å; Y259-W388 HydrophobicContact CE1-CZ2 3.55Å
260P96.4Very high95.1Very high75 Ų7548.1 Ų48.149%0.48724%0.236SC..Hα-helixtrans-60.9-40.2179.3-22.634.5000112.6M257 V263 L264M257-P260 WeakPolarHBondContact O-CD 2.88Å; P260-V263 PolarHBondContact O-N 3.39Å; P260-L264 WeakPolarHBondContact O-CB 3.41Å; P260-L264 VanDerWaalsContact O-CG 3.32Å; P260-L264 WeakPolarHBondContact O-CG 3.36Å; P260-L264 PolarHBondContact O-N 3.4Å
261F96.8Very high95.4Very high22 Ų2250.6 Ų50.610%0.09625%0.248CC..Hα-helixtrans-74.5-33.2-179-61.7-81.1000112.3W196 L197 M201 M204 L209 A258 Y259 L264 S265 L302W196-F261 AromaticContact CH2-CD2 3.63Å; W196-F261 HydrophobicContact CH2-CD2 3.63Å; W196-F261 AromaticContact CH2-CE2 3.77Å; W196-F261 HydrophobicContact CH2-CE2 3.77Å; W196-F261 AromaticContact CZ3-CD2 3.8Å; W196-F261 HydrophobicContact CZ3-CD2 3.8Å; W196-F261 AromaticContact CZ3-CE2 3.41Å; W196-F261 HydrophobicContact CZ3-CE2 3.41Å; W196-F261 VanDerWaalsContact CZ3-CE2 3.41Å; W196-F261 HydrophobicContact CZ3-CZ 4.22Å; L197-F261 HydrophobicContact CD2-CE2 3.94Å; L197-F261 HydrophobicContact CD2-CZ 3.75Å; M201-F261 HydrophobicContact SD-CE1 3.96Å; M201-F261 HydrophobicContact SD-CZ 4.03Å; M204-F261 HydrophobicContact CE-CB 4.18Å; M204-F261 HydrophobicContact CE-CD1 4.31Å; M204-F261 HydrophobicContact CE-CG 4.26Å; M204-F261 HydrophobicContact CG-CD1 4.46Å; L209-F261 HydrophobicContact CD1-CB 4.28Å; L209-F261 HydrophobicContact CD1-CD1 3.96Å; L209-F261 HydrophobicContact CD2-CD1 3.63Å; L209-F261 HydrophobicContact CD2-CE1 4.01Å; L209-F261 HydrophobicContact CG-CD1 4.45Å; A258-F261 PolarHBondContact O-N 2.9Å; A258-F261 VanDerWaalsContact O-N 3.1Å; Y259-F261 VanDerWaalsContact C-N 3.31Å; Y259-F261 PolarHBondContact O-N 2.98Å; F261-L264 PolarHBondContact O-N 3.39Å; F261-S265 WeakPolarHBondContact O-CB 3.45Å; F261-S265 PolarHBondContact O-N 3.28Å; F261-S265 PolarHBondContact O-OG 2.88Å; F261-L302 HydrophobicContact CB-CD1 3.6Å
262L96.7Very high95.7Very high4 Ų447.5 Ų47.52%0.02123%0.231CC..Hα-helixtrans-62.5-45.5170.6-76.3171.1000111.3A258 Y259 S265 L266 T299 L302 I303 W388A258-L262 HydrophobicContact CB-CD1 4Å; A258-L262 HydrophobicContact CB-CG 4.34Å; A258-L262 WeakPolarHBondContact O-CG 3.08Å; A258-L262 PolarHBondContact O-N 3.13Å; Y259-L262 PolarHBondContact O-N 3.26Å; L262-S265 WeakPolarHBondContact CA-OG 3.2Å; L262-S265 PolarHBondContact O-N 3.32Å; L262-S265 PolarHBondContact O-OG 2.71Å; L262-L266 WeakPolarHBondContact O-CB 3.4Å; L262-L266 WeakPolarHBondContact O-CG 3.34Å; L262-L266 PolarHBondContact O-N 2.65Å; L262-T299 HydrophobicContact CD2-CG2 4.35Å; L262-L302 HydrophobicContact CD2-CB 3.74Å; L262-L302 HydrophobicContact CD2-CD1 4.11Å; L262-L302 HydrophobicContact CG-CB 4.08Å; L262-L302 HydrophobicContact CG-CD1 4.05Å; L262-I303 HydrophobicContact CD2-CG1 4.13Å; L262-W388 HydrophobicContact CD1-CH2 4.03Å; L262-W388 HydrophobicContact CD1-CZ2 3.62Å
263V96.8Very high96Very high96 Ų9645.1 Ų45.158%0.58222%0.216SC*.Hα-helixtrans-63.4-45.6176.5174.80000111Y259 P260 S265 W267Y259-V263 WeakPolarHBondContact O-CG2 3.11Å; Y259-V263 PolarHBondContact O-N 3.24Å; P260-V263 PolarHBondContact O-N 3.39Å; V263-S265 VanDerWaalsContact C-N 3.32Å; V263-S265 PolarHBondContact O-N 3.06Å; V263-W267 VanDerWaalsContact O-CB 3.26Å; V263-W267 WeakPolarHBondContact O-CB 3.46Å; V263-W267 PolarHBondContact O-N 2.97Å
264L97.5Very high96.2Very high69 Ų6947 Ų4736%0.36123%0.229SC..Hα-helixtrans-61.2-38.5178-75.1169.8000112.6L209 Y210 P260 F261 G268L209-L264 HydrophobicContact CD1-CB 4.47Å; L209-L264 HydrophobicContact CD2-CB 4.37Å; L209-L264 HydrophobicContact CD2-CD1 3.8Å; L209-L264 HydrophobicContact CG-CB 4.42Å; Y210-L264 VanDerWaalsContact CB-O 3.31Å; Y210-L264 WeakPolarHBondContact CB-O 3.4Å; P260-L264 WeakPolarHBondContact O-CB 3.41Å; P260-L264 VanDerWaalsContact O-CG 3.32Å; P260-L264 WeakPolarHBondContact O-CG 3.36Å; P260-L264 PolarHBondContact O-N 3.4Å; F261-L264 PolarHBondContact O-N 3.39Å; L264-G268 WeakPolarHBondContact O-CA 3.2Å; L264-G268 PolarHBondContact O-N 2.88Å
265S97.1Very high96.4Very high2 Ų249.1 Ų49.11%0.01424%0.24CC..Hα-helixtrans-75.5-44.8179.149.40000112.7F261 L262 V263 G268 M269 T299F261-S265 WeakPolarHBondContact O-CB 3.45Å; F261-S265 PolarHBondContact O-N 3.28Å; F261-S265 PolarHBondContact O-OG 2.88Å; L262-S265 WeakPolarHBondContact CA-OG 3.2Å; L262-S265 PolarHBondContact O-N 3.32Å; L262-S265 PolarHBondContact O-OG 2.71Å; V263-S265 VanDerWaalsContact C-N 3.32Å; V263-S265 PolarHBondContact O-N 3.06Å; S265-G268 PolarHBondContact O-N 3.5Å; S265-M269 PolarHBondContact O-N 2.89Å; S265-T299 WeakPolarHBondContact OG-CG2 3.08Å
266L97.1Very high96.8Very high12 Ų1242 Ų426%0.06321%0.209CC..Hα-helixtrans-64.4-41.1176.4-71.2171000113L262 M269 T299 T392 L395 T396L262-L266 WeakPolarHBondContact O-CB 3.4Å; L262-L266 WeakPolarHBondContact O-CG 3.34Å; L262-L266 PolarHBondContact O-N 2.65Å; L266-M269 HydrophobicContact CD2-CE 3.87Å; L266-M269 HydrophobicContact CD2-SD 4.32Å; L266-M269 WeakPolarHBondContact O-CG 3.2Å; L266-T299 HydrophobicContact CD2-CG2 3.8Å; L266-T299 HydrophobicContact CG-CG2 3.82Å; L266-T392 HydrophobicContact CD1-CG2 3.93Å; L266-L395 HydrophobicContact CB-CD1 4.01Å; L266-L395 HydrophobicContact CD1-CD1 4.43Å; L266-T396 HydrophobicContact CD2-CG2 4.29Å
267W97.8Very high97Very high139 Ų13938.7 Ų38.753%0.52720%0.196SC..Hα-helixtrans-72.4-40.9172.7-173.9-111.5000111.2V263 M269 I270 M271V263-W267 VanDerWaalsContact O-CB 3.26Å; V263-W267 WeakPolarHBondContact O-CB 3.46Å; V263-W267 PolarHBondContact O-N 2.97Å; W267-M269 PolarHBondContact O-N 3.5Å; W267-I270 PolarHBondContact O-N 3.46Å; W267-M271 HydrophobicContact CD2-CG 4.33Å; W267-M271 HydrophobicContact CG-CG 4.3Å; W267-M271 HydrophobicContact CZ2-CG 4.32Å; W267-M271 HydrophobicContact CZ2-SD 3.75Å; W267-M271 WeakPolarHBondContact O-CG 3.19Å; W267-M271 PolarHBondContact O-N 2.65Å
268G97.1Very high97.1Very high0 Ų047.2 Ų47.20%023%0.226CC..Hα-helixtrans-60.1-40-178.500000114L264 S265 I270 M271 T272L264-G268 WeakPolarHBondContact O-CA 3.2Å; L264-G268 PolarHBondContact O-N 2.88Å; S265-G268 PolarHBondContact O-N 3.5Å; G268-I270 VanDerWaalsContact C-N 3.31Å; G268-I270 PolarHBondContact O-N 3.31Å; G268-M271 PolarHBondContact O-N 3.1Å; G268-T272 WeakPolarHBondContact O-CB 3.49Å; G268-T272 WeakPolarHBondContact O-CG2 3.41Å; G268-T272 PolarHBondContact O-N 3.06Å; G268-T272 PolarHBondContact O-OG1 3.34Å
269M96.8Very high97.2Very high0 Ų048.8 Ų48.80%023%0.232CC..Hα-helixtrans-61.9-37.9177.563-179.164.500112.2S265 L266 W267 T272 S273 A295 L296 T299 N399S265-M269 PolarHBondContact O-N 2.89Å; L266-M269 HydrophobicContact CD2-CE 3.87Å; L266-M269 HydrophobicContact CD2-SD 4.32Å; L266-M269 WeakPolarHBondContact O-CG 3.2Å; W267-M269 PolarHBondContact O-N 3.5Å; M269-T272 PolarHBondContact O-OG1 3.12Å; M269-S273 VanDerWaalsContact O-CB 3.23Å; M269-S273 WeakPolarHBondContact O-CB 3.43Å; M269-S273 PolarHBondContact O-N 3.16Å; M269-S273 VanDerWaalsContact O-N 3.11Å; M269-S273 PolarHBondContact O-OG 3.11Å; M269-A295 HydrophobicContact CB-CB 3.93Å; M269-A295 HydrophobicContact CE-CB 4.36Å; M269-L296 HydrophobicContact CE-CD2 3.54Å; M269-L296 HydrophobicContact CE-CG 3.89Å; M269-L296 HydrophobicContact SD-CD2 3.74Å; M269-L296 HydrophobicContact SD-CG 4.24Å; M269-T299 HydrophobicContact CE-CG2 3.9Å; M269-N399 HydrophobicContact CG-CB 4.2Å; M269-N399 PolarHBondContact O-OD1 3.35Å; M269-N399 HydrophobicContact SD-CB 4.05Å
270I97.7Very high97.3Very high25 Ų2546.6 Ų46.613%0.12823%0.232CC..Hα-helixtrans-71.7-44.1176.7-58.7175.8000110.1W267 G268 S273 S274 L395 L398 N399W267-I270 PolarHBondContact O-N 3.46Å; G268-I270 VanDerWaalsContact C-N 3.31Å; G268-I270 PolarHBondContact O-N 3.31Å; I270-S273 WeakPolarHBondContact CA-OG 3.28Å; I270-S273 PolarHBondContact O-OG 3.05Å; I270-S274 WeakPolarHBondContact O-CB 3.37Å; I270-S274 PolarHBondContact O-N 3.05Å; I270-S274 PolarHBondContact O-OG 2.95Å; I270-L395 HydrophobicContact CD1-CB 4.04Å; I270-L395 HydrophobicContact CD1-CD2 3.54Å; I270-L395 HydrophobicContact CD1-CG 4.4Å; I270-L398 HydrophobicContact CD1-CB 4.47Å; I270-N399 HydrophobicContact CG1-CB 4.46Å
271M97.9Very high97.3Very high57 Ų5745.1 Ų45.128%0.28122%0.22SC..Hα-helixtrans-65.6-44.8-179.3-67.8-56.4-62.600111.9Y210 W267 G268 S274 I275Y210-M271 HydrophobicContact CE2-CB 3.85Å; W267-M271 HydrophobicContact CD2-CG 4.33Å; W267-M271 HydrophobicContact CG-CG 4.3Å; W267-M271 HydrophobicContact CZ2-CG 4.32Å; W267-M271 HydrophobicContact CZ2-SD 3.75Å; W267-M271 WeakPolarHBondContact O-CG 3.19Å; W267-M271 PolarHBondContact O-N 2.65Å; G268-M271 PolarHBondContact O-N 3.1Å; M271-S274 PolarHBondContact O-N 2.82Å; M271-S274 PolarHBondContact O-OG 3.43Å; M271-I275 VanDerWaalsContact O-CG1 3.29Å; M271-I275 WeakPolarHBondContact O-CG1 3.47Å; M271-I275 PolarHBondContact O-N 3.14Å
272T97.7Very high97.3Very high0 Ų044.4 Ų44.40%022%0.217CC..Hα-helixtrans-69.5-37.8179.355.30000112.4Y210 G268 M269 S274 I275 C276 Y288 I291 S292Y210-T272 HydrophobicContact CD2-CG2 3.82Å; Y210-T272 HydrophobicContact CE2-CG2 4.01Å; G268-T272 WeakPolarHBondContact O-CB 3.49Å; G268-T272 WeakPolarHBondContact O-CG2 3.41Å; G268-T272 PolarHBondContact O-N 3.06Å; G268-T272 PolarHBondContact O-OG1 3.34Å; M269-T272 PolarHBondContact O-OG1 3.12Å; T272-S274 VanDerWaalsContact C-N 3.34Å; T272-I275 WeakPolarHBondContact O-CB 3.26Å; T272-I275 PolarHBondContact O-N 3.18Å; T272-C276 PolarHBondContact O-N 3.23Å; T272-C276 VanDerWaalsContact O-N 3.09Å; T272-C276 PolarHBondContact O-SG 3.08Å; T272-Y288 HydrophobicContact CG2-CD1 4.48Å; T272-I291 HydrophobicContact CG2-CB 4.21Å; T272-I291 HydrophobicContact CG2-CG2 3.77Å; T272-S292 WeakPolarHBondContact OG1-CA 3.35Å; T272-S292 WeakPolarHBondContact OG1-CB 3.21Å; T272-S292 PolarHBondContact OG1-N 3.01Å
273S97.6Very high97.3Very high0 Ų044.7 Ų44.70%022%0.218CC..Hα-helixtrans-65.4-36.4172.760.30000112M269 I270 C276 N399 V402M269-S273 VanDerWaalsContact O-CB 3.23Å; M269-S273 WeakPolarHBondContact O-CB 3.43Å; M269-S273 PolarHBondContact O-N 3.16Å; M269-S273 VanDerWaalsContact O-N 3.11Å; M269-S273 PolarHBondContact O-OG 3.11Å; I270-S273 WeakPolarHBondContact CA-OG 3.28Å; I270-S273 PolarHBondContact O-OG 3.05Å; S273-C276 VanDerWaalsContact O-CB 3.3Å; S273-C276 WeakPolarHBondContact O-CB 3.5Å; S273-C276 PolarHBondContact O-N 3.46Å; S273-N399 PolarHBondContact OG-OD1 3.18Å; S273-V402 VanDerWaalsContact C-CG1 3.47Å; S273-V402 WeakPolarHBondContact O-CG1 3.28Å; S273-V402 WeakPolarHBondContact OG-CG1 3.32Å
274S97.8Very high97.3Very high44 Ų4440.6 Ų40.631%0.30819%0.193SC..Hα-helixtrans-66.4-36.4173.178.50000112.6I270 M271 T272 C276 L277I270-S274 WeakPolarHBondContact O-CB 3.37Å; I270-S274 PolarHBondContact O-N 3.05Å; I270-S274 PolarHBondContact O-OG 2.95Å; M271-S274 PolarHBondContact O-N 2.82Å; M271-S274 PolarHBondContact O-OG 3.43Å; T272-S274 VanDerWaalsContact C-N 3.34Å; S274-C276 VanDerWaalsContact C-N 3.3Å; S274-C276 PolarHBondContact O-N 2.64Å; S274-L277 WeakPolarHBondContact O-CB 3.16Å; S274-L277 PolarHBondContact O-N 2.95Å
275I98.1Very high97.3Very high50 Ų5037.3 Ų37.326%0.25618%0.176SC..Hα-helixtrans-60.7-41.8173.3-72.2165.3000109.8M271 T272 L277 R278 Q279 Y288M271-I275 VanDerWaalsContact O-CG1 3.29Å; M271-I275 WeakPolarHBondContact O-CG1 3.47Å; M271-I275 PolarHBondContact O-N 3.14Å; T272-I275 WeakPolarHBondContact O-CB 3.26Å; T272-I275 PolarHBondContact O-N 3.18Å; I275-L277 PolarHBondContact O-N 3.42Å; I275-R278 PolarHBondContact O-N 3.39Å; I275-Q279 HydrophobicContact CG2-CG 4.18Å; I275-Q279 WeakPolarHBondContact O-CG 3.5Å; I275-Q279 PolarHBondContact O-N 2.98Å; I275-Y288 HydrophobicContact CD1-CE1 4.35Å; I275-Y288 HydrophobicContact CG2-CD1 3.95Å; I275-Y288 HydrophobicContact CG2-CD2 3.9Å; I275-Y288 HydrophobicContact CG2-CE1 4.04Å; I275-Y288 HydrophobicContact CG2-CE2 4.03Å; I275-Y288 HydrophobicContact CG2-CG 3.87Å
276C97.9Very high97.4Very high0 Ų037.2 Ų37.20%018%0.175CC..Hα-helixtrans-54.6-35.5178.2-64.90000113.3T272 S273 S274 R278 Q279 L285 Y288 S289 Y406T272-C276 PolarHBondContact O-N 3.23Å; T272-C276 VanDerWaalsContact O-N 3.09Å; T272-C276 PolarHBondContact O-SG 3.08Å; S273-C276 VanDerWaalsContact O-CB 3.3Å; S273-C276 WeakPolarHBondContact O-CB 3.5Å; S273-C276 PolarHBondContact O-N 3.46Å; S274-C276 VanDerWaalsContact C-N 3.3Å; S274-C276 PolarHBondContact O-N 2.64Å; C276-R278 PolarHBondContact O-N 3.27Å; C276-Q279 PolarHBondContact O-N 3.34Å; C276-L285 HydrophobicContact CB-CG 4.14Å; C276-L285 WeakPolarHBondContact O-CD1 3.29Å; C276-Y288 WeakPolarHBondContact SG-CB 3.5Å; C276-S289 PolarHBondContact SG-N 3.13Å; C276-S289 VanDerWaalsContact SG-N 3.43Å; C276-Y406 HydrophobicContact CB-CD1 3.74Å; C276-Y406 HydrophobicContact CB-CD2 4.19Å; C276-Y406 HydrophobicContact CB-CE1 4.43Å; C276-Y406 HydrophobicContact CB-CG 3.63Å
277L97.3Very high97.4Very high55 Ų5536.6 Ų36.629%0.28817%0.172SC..THydrogen-bonded Turntrans-64.1-22.4178.4-64.4174.3000113.4S274 I275 V402 L405S274-L277 WeakPolarHBondContact O-CB 3.16Å; S274-L277 PolarHBondContact O-N 2.95Å; I275-L277 PolarHBondContact O-N 3.42Å; L277-V402 HydrophobicContact CD1-CG1 4.04Å; L277-V402 HydrophobicContact CG-CG1 4.37Å; L277-L405 HydrophobicContact CD2-CB 3.76Å
278R97.3Very high97.4Very high216 Ų21631.9 Ų31.982%0.81516%0.155SC*.THydrogen-bonded Turntrans-110.73.9-176.2-60.5-60-62.5-127.8-2.7113.2I275 C276I275-R278 PolarHBondContact O-N 3.39Å; C276-R278 PolarHBondContact O-N 3.27Å
279Q96.5Very high97.4Very high36 Ų3631.9 Ų31.917%0.16816%0.155CC..  trans-74.2131.1179.4-73.5-57.3-14.600111.9I275 C276 S284 L285 Y288I275-Q279 HydrophobicContact CG2-CG 4.18Å; I275-Q279 WeakPolarHBondContact O-CG 3.5Å; I275-Q279 PolarHBondContact O-N 2.98Å; C276-Q279 PolarHBondContact O-N 3.34Å; Q279-S284 PolarHBondContact OE1-OG 3.11Å; Q279-S284 VanDerWaalsContact OE1-OG 3.1Å; Q279-L285 HydrophobicContact CB-CB 3.84Å; Q279-L285 HydrophobicContact CB-CD1 4.36Å; Q279-L285 HydrophobicContact CB-CG 4.29Å; Q279-L285 HydrophobicContact CG-CB 4.36Å; Q279-Y288 HydrophobicContact CG-CD2 4.07Å
280T96.8Very high97.4Very high77 Ų7731.9 Ų31.947%0.47216%0.155SC..SBendtrans-86-31.9172.255.60000111.8M342T280-M342 WeakPolarHBondContact O-CB 3.35Å; T280-M342 PolarHBondContact O-N 3.03Å
281D96.8Very high97.4Very high44 Ų4430.8 Ų30.824%0.23515%0.149CC..BIsolated β-bridgetrans-91.6118-176.3-83.5-1000110.5K283 S284 L285D281-K283 PolarHBondContact O-N 3.32Å; D281-S284 VanDerWaalsContact CB-OG 3.3Å; D281-S284 WeakPolarHBondContact CB-OG 3.45Å; D281-S284 WeakPolarHBondContact O-CB 3.38Å; D281-S284 PolarHBondContact O-N 3.47Å; D281-S284 PolarHBondContact O-OG 3.39Å; D281-L285 PolarHBondContact O-N 3.22Å
282L96.8Very high97.4Very high7 Ų728 Ų284%0.03714%0.136CC..Hα-helixtrans-63.6-40.9-174-174.5152.3000112.3S284 L285 I286 A330 R340 M342 W359 T414L282-S284 VanDerWaalsContact C-N 3.3Å; L282-S284 PolarHBondContact O-N 2.66Å; L282-L285 PolarHBondContact O-N 3.08Å; L282-I286 HydrophobicContact CD2-CD1 3.65Å; L282-I286 WeakPolarHBondContact O-CG1 3.32Å; L282-I286 PolarHBondContact O-N 3.43Å; L282-I286 VanDerWaalsContact O-N 3.15Å; L282-A330 HydrophobicContact CD2-CB 3.11Å; L282-R340 PolarHBondContact N-O 3.24Å; L282-M342 HydrophobicContact CB-CB 4.23Å; L282-M342 HydrophobicContact CD1-CG 4.3Å; L282-W359 HydrophobicContact CD1-CH2 3.81Å; L282-W359 HydrophobicContact CD1-CZ2 4.37Å; L282-W359 HydrophobicContact CD2-CH2 4.03Å; L282-W359 HydrophobicContact CG-CH2 4.4Å; L282-T414 HydrophobicContact CD1-CG2 3.44Å; L282-T414 VanDerWaalsContact CD1-CG2 3.44Å
283K97Very high97.4Very high10 Ų1028.2 Ų28.24%0.04314%0.136CC..Hα-helixtrans-64.1-36.2174.7-78.3-164.9178.3-172.40112.3V221 A223 D281 I286 A287 F327 A330V221-K283 HydrophobicContact CG2-CB 3.99Å; A223-K283 PolarHBondContact O-NZ 3.17Å; D281-K283 PolarHBondContact O-N 3.32Å; K283-I286 PolarHBondContact O-N 2.96Å; K283-A287 WeakPolarHBondContact O-CB 3.5Å; K283-A287 PolarHBondContact O-N 3.17Å; K283-F327 HydrophobicContact CB-CE1 4.49Å; K283-F327 HydrophobicContact CG-CD1 4.49Å; K283-A330 HydrophobicContact CG-CB 4.14Å
284S97Very high97.4Very high9 Ų928.2 Ų28.26%0.06314%0.136CC..Hα-helixtrans-69.8-39.2178.8810000110.8Q279 D281 L282 I286 A287 Y288Q279-S284 PolarHBondContact OE1-OG 3.11Å; Q279-S284 VanDerWaalsContact OE1-OG 3.1Å; D281-S284 VanDerWaalsContact CB-OG 3.3Å; D281-S284 WeakPolarHBondContact CB-OG 3.45Å; D281-S284 WeakPolarHBondContact O-CB 3.38Å; D281-S284 PolarHBondContact O-N 3.47Å; D281-S284 PolarHBondContact O-OG 3.39Å; L282-S284 VanDerWaalsContact C-N 3.3Å; L282-S284 PolarHBondContact O-N 2.66Å; S284-I286 VanDerWaalsContact C-N 3.33Å; S284-I286 PolarHBondContact O-N 3.06Å; S284-A287 CarbonylContact O-C 3.23Å; S284-A287 WeakPolarHBondContact O-CA 3.13Å; S284-A287 WeakPolarHBondContact O-CB 3.29Å; S284-A287 PolarHBondContact O-N 3.45Å; S284-A287 VanDerWaalsContact O-N 3.1Å; S284-Y288 WeakPolarHBondContact O-CD2 3.47Å; S284-Y288 PolarHBondContact O-N 2.8Å
285L98.1Very high97.4Very high0 Ų026.4 Ų26.40%013%0.125CC..Hα-helixtrans-57.3-47.5174.2-171.1161000110.4C276 Q279 D281 L282 A287 Y288 S289 M342 Y406 Y409 M410C276-L285 HydrophobicContact CB-CG 4.14Å; C276-L285 WeakPolarHBondContact O-CD1 3.29Å; Q279-L285 HydrophobicContact CB-CB 3.84Å; Q279-L285 HydrophobicContact CB-CD1 4.36Å; Q279-L285 HydrophobicContact CB-CG 4.29Å; Q279-L285 HydrophobicContact CG-CB 4.36Å; D281-L285 PolarHBondContact O-N 3.22Å; L282-L285 PolarHBondContact O-N 3.08Å; L285-A287 VanDerWaalsContact C-N 3.31Å; L285-A287 PolarHBondContact O-N 3.46Å; L285-Y288 PolarHBondContact O-N 3Å; L285-S289 PolarHBondContact O-N 3.46Å; L285-M342 HydrophobicContact CD1-CE 4.45Å; L285-M342 HydrophobicContact CD1-SD 4.04Å; L285-Y406 HydrophobicContact CD2-CD2 4.27Å; L285-Y409 HydrophobicContact CD1-CD1 4.49Å; L285-M410 HydrophobicContact CD1-CB 4.45Å; L285-M410 HydrophobicContact CD2-CB 4.32Å; L285-M410 HydrophobicContact CD2-CE 3.43Å; L285-M410 VanDerWaalsContact CD2-CE 3.43Å; L285-M410 HydrophobicContact CD2-CG 4.21Å; L285-M410 HydrophobicContact CD2-SD 4.39Å
286I98Very high97.3Very high0 Ų024.4 Ų24.40%011%0.114CC..Hα-helixtrans-62.6-39.6176.7-58.9161.8000110.9L282 K283 S284 S289 S290 L326 F327 A330L282-I286 HydrophobicContact CD2-CD1 3.65Å; L282-I286 WeakPolarHBondContact O-CG1 3.32Å; L282-I286 PolarHBondContact O-N 3.43Å; L282-I286 VanDerWaalsContact O-N 3.15Å; K283-I286 PolarHBondContact O-N 2.96Å; S284-I286 VanDerWaalsContact C-N 3.33Å; S284-I286 PolarHBondContact O-N 3.06Å; I286-S289 WeakPolarHBondContact CA-OG 3.42Å; I286-S289 PolarHBondContact O-N 3.18Å; I286-S289 PolarHBondContact O-OG 2.96Å; I286-S290 PolarHBondContact O-N 3.46Å; I286-L326 HydrophobicContact CD1-CB 3.9Å; I286-L326 WeakPolarHBondContact CD1-O 3.35Å; I286-L326 HydrophobicContact CG1-CB 4.11Å; I286-L326 HydrophobicContact CG2-CB 3.92Å; I286-L326 HydrophobicContact CG2-CD1 4.47Å; I286-F327 HydrophobicContact CB-CD1 4.39Å; I286-F327 HydrophobicContact CB-CE1 3.93Å; I286-F327 HydrophobicContact CB-CE2 4.42Å; I286-F327 HydrophobicContact CB-CZ 3.93Å; I286-F327 HydrophobicContact CD1-CD1 4.36Å; I286-F327 HydrophobicContact CG2-CD1 4.14Å; I286-F327 HydrophobicContact CG2-CD2 3.84Å; I286-F327 HydrophobicContact CG2-CE1 3.85Å; I286-F327 HydrophobicContact CG2-CE2 3.5Å; I286-F327 HydrophobicContact CG2-CG 4.13Å; I286-F327 HydrophobicContact CG2-CZ 3.51Å; I286-A330 HydrophobicContact CD1-CB 3.85Å
287A97.5Very high97.3Very high0 Ų024.4 Ų24.40%011%0.114CC..Hα-helixtrans-65.2-39176.300000113.6L216 H220 K283 S284 L285 S290 I291 F327L216-A287 HydrophobicContact CD2-CB 3.63Å; L216-A287 WeakPolarHBondContact CD2-O 3.4Å; H220-A287 HydrophobicContact CB-CB 3.98Å; K283-A287 WeakPolarHBondContact O-CB 3.5Å; K283-A287 PolarHBondContact O-N 3.17Å; S284-A287 CarbonylContact O-C 3.23Å; S284-A287 WeakPolarHBondContact O-CA 3.13Å; S284-A287 WeakPolarHBondContact O-CB 3.29Å; S284-A287 PolarHBondContact O-N 3.45Å; S284-A287 VanDerWaalsContact O-N 3.1Å; L285-A287 VanDerWaalsContact C-N 3.31Å; L285-A287 PolarHBondContact O-N 3.46Å; A287-S290 PolarHBondContact O-N 2.96Å; A287-S290 PolarHBondContact O-OG 2.99Å; A287-I291 WeakPolarHBondContact O-CG1 3.4Å; A287-I291 PolarHBondContact O-N 3.48Å; A287-F327 HydrophobicContact CB-CZ 4.4Å
288Y98Very high97.3Very high39 Ų3921.8 Ų21.815%0.15310%0.101CC..Hα-helixtrans-70-35.1173.5-77.6-73.3000111.9P217 T272 I275 C276 Q279 S284 L285 S290 I291 S292P217-Y288 HydrophobicContact CB-CE2 3.91Å; P217-Y288 HydrophobicContact CG-CD1 4.23Å; P217-Y288 HydrophobicContact CG-CD2 4.37Å; P217-Y288 HydrophobicContact CG-CE1 3.7Å; P217-Y288 HydrophobicContact CG-CE2 3.83Å; P217-Y288 VanDerWaalsContact CG-CZ 3.48Å; T272-Y288 HydrophobicContact CG2-CD1 4.48Å; I275-Y288 HydrophobicContact CD1-CE1 4.35Å; I275-Y288 HydrophobicContact CG2-CD1 3.95Å; I275-Y288 HydrophobicContact CG2-CD2 3.9Å; I275-Y288 HydrophobicContact CG2-CE1 4.04Å; I275-Y288 HydrophobicContact CG2-CE2 4.03Å; I275-Y288 HydrophobicContact CG2-CG 3.87Å; C276-Y288 WeakPolarHBondContact SG-CB 3.5Å; Q279-Y288 HydrophobicContact CG-CD2 4.07Å; S284-Y288 WeakPolarHBondContact O-CD2 3.47Å; S284-Y288 PolarHBondContact O-N 2.8Å; L285-Y288 PolarHBondContact O-N 3Å; Y288-S290 VanDerWaalsContact C-N 3.28Å; Y288-S290 PolarHBondContact O-N 3.31Å; Y288-I291 HydrophobicContact CD1-CD1 3.99Å; Y288-I291 HydrophobicContact CE1-CD1 4.42Å; Y288-I291 PolarHBondContact O-N 3.44Å; Y288-I291 VanDerWaalsContact O-N 3.15Å; Y288-S292 PolarHBondContact O-N 3.32Å; Y288-S292 VanDerWaalsContact O-N 3.09Å
289S97.5Very high97.3Very high1 Ų111.5 Ų11.51%0.0076%0.062CC..Hα-helixtrans-64.9-30.6173.577.70000112.9C276 L285 I286 I291 S292 H293C276-S289 PolarHBondContact SG-N 3.13Å; C276-S289 VanDerWaalsContact SG-N 3.43Å; L285-S289 PolarHBondContact O-N 3.46Å; I286-S289 WeakPolarHBondContact CA-OG 3.42Å; I286-S289 PolarHBondContact O-N 3.18Å; I286-S289 PolarHBondContact O-OG 2.96Å; S289-I291 VanDerWaalsContact C-N 3.35Å; S289-S292 WeakPolarHBondContact CA-OG 3.45Å; S289-S292 PolarHBondContact O-N 2.88Å; S289-S292 PolarHBondContact O-OG 3.1Å; S289-H293 PolarHBondContact O-CD2 3.37Å; S289-H293 PolarHBondContact O-N 2.82Å; S289-H293 VanDerWaalsContact O-N 3.13Å
290S97.1Very high97.3Very high0 Ų09.8 Ų9.80%05%0.054CC..Hα-helixtrans-71.6-31.3173.763.10000112.5I286 A287 Y288 M294 H319I286-S290 PolarHBondContact O-N 3.46Å; A287-S290 PolarHBondContact O-N 2.96Å; A287-S290 PolarHBondContact O-OG 2.99Å; Y288-S290 VanDerWaalsContact C-N 3.28Å; Y288-S290 PolarHBondContact O-N 3.31Å; S290-M294 WeakPolarHBondContact O-CB 3.11Å; S290-M294 WeakPolarHBondContact O-CG 3.47Å; S290-M294 PolarHBondContact O-N 2.99Å; S290-H319 WeakPolarHBondContact CA-NE2 3.4Å; S290-H319 WeakPolarHBondContact CB-NE2 3.26Å
291I97.6Very high97.3Very high1 Ų16.2 Ų6.21%0.0053%0.032CC..Hα-helixtrans-67.3-42.2173-58.3159.6000110.6P208 H213 L216 P217 T272 A287 Y288 S289 H293 M294 A295P208-I291 HydrophobicContact CB-CG1 4.42Å; P208-I291 HydrophobicContact CG-CG1 3.95Å; P208-I291 HydrophobicContact CG-CG2 4.4Å; H213-I291 HydrophobicContact CB-CD1 3.74Å; H213-I291 HydrophobicContact CB-CG1 4.13Å; H213-I291 HydrophobicContact CB-CG2 3.93Å; L216-I291 HydrophobicContact CB-CD1 4.38Å; L216-I291 HydrophobicContact CB-CG1 4.5Å; L216-I291 HydrophobicContact CD1-CG1 3.94Å; L216-I291 HydrophobicContact CD2-CD1 4.32Å; L216-I291 HydrophobicContact CD2-CG1 4.22Å; L216-I291 HydrophobicContact CG-CG1 4.46Å; P217-I291 HydrophobicContact CG-CD1 4.1Å; T272-I291 HydrophobicContact CG2-CB 4.21Å; T272-I291 HydrophobicContact CG2-CG2 3.77Å; A287-I291 WeakPolarHBondContact O-CG1 3.4Å; A287-I291 PolarHBondContact O-N 3.48Å; Y288-I291 HydrophobicContact CD1-CD1 3.99Å; Y288-I291 HydrophobicContact CE1-CD1 4.42Å; Y288-I291 PolarHBondContact O-N 3.44Å; Y288-I291 VanDerWaalsContact O-N 3.15Å; S289-I291 VanDerWaalsContact C-N 3.35Å; I291-H293 PolarHBondContact O-N 2.86Å; I291-M294 PolarHBondContact O-N 3.45Å; I291-A295 WeakPolarHBondContact O-CB 3.23Å; I291-A295 PolarHBondContact O-N 3.11Å
292S97.5Very high97.3Very high0 Ų04.7 Ų4.70%02%0.023CC..Hα-helixtrans-62.7-43.3177.961.90000112.2T272 Y288 S289 A295T272-S292 WeakPolarHBondContact OG1-CA 3.35Å; T272-S292 WeakPolarHBondContact OG1-CB 3.21Å; T272-S292 PolarHBondContact OG1-N 3.01Å; Y288-S292 PolarHBondContact O-N 3.32Å; Y288-S292 VanDerWaalsContact O-N 3.09Å; S289-S292 WeakPolarHBondContact CA-OG 3.45Å; S289-S292 PolarHBondContact O-N 2.88Å; S289-S292 PolarHBondContact O-OG 3.1Å; S292-A295 WeakPolarHBondContact O-CB 3.23Å; S292-A295 PolarHBondContact O-N 3.35Å
293H97.3Very high97.2Very high3 Ų35.4 Ų5.41%0.0143%0.027CC..Hα-helixtrans-68.3-41.6178-76.7-56.3000113S289 I291 A295 L296 V297 L315 H319 N366 E378S289-H293 PolarHBondContact O-CD2 3.37Å; S289-H293 PolarHBondContact O-N 2.82Å; S289-H293 VanDerWaalsContact O-N 3.13Å; I291-H293 PolarHBondContact O-N 2.86Å; H293-A295 VanDerWaalsContact C-N 3.29Å; H293-A295 PolarHBondContact O-N 2.94Å; H293-L296 WeakPolarHBondContact O-CB 3.14Å; H293-L296 PolarHBondContact O-N 2.72Å; H293-V297 PolarHBondContact O-N 2.94Å; H293-L315 HydrophobicContact CB-CD2 4.4Å; H293-H319 AromaticContact CD2-CE1 3.57Å; H293-H319 AromaticContact CD2-ND1 3.39Å; H293-H319 PolarHBondContact CD2-ND1 3.01Å; H293-H319 AromaticContact CG-CE1 3.95Å; H293-H319 AromaticContact CG-ND1 3.62Å; H293-N366 PolarHBondContact NE2-O 3.19Å; H293-N366 PolarHBondContact NE2-OD1 3.42Å; H293-E378 IonicContact CE1-OE1 3.11Å; H293-E378 PolarHBondContact CE1-OE1 2.93Å; H293-E378 IonicContact ND1-OE1 3.98Å; H293-E378 PolarHBondContact ND1-OE1 2.97Å
294M97.2Very high97.1Very high0 Ų07 Ų70%04%0.035CC..Hα-helixtrans-71.6-23.9176.7-62.5-60.584.300112.7L236 K237 S290 I291 L296 V297 V298 L315 H319L236-M294 HydrophobicContact CB-CG 4.31Å; L236-M294 HydrophobicContact CB-SD 4.28Å; L236-M294 HydrophobicContact CD1-CG 4.12Å; K237-M294 HydrophobicContact CD-SD 4.23Å; S290-M294 WeakPolarHBondContact O-CB 3.11Å; S290-M294 WeakPolarHBondContact O-CG 3.47Å; S290-M294 PolarHBondContact O-N 2.99Å; I291-M294 PolarHBondContact O-N 3.45Å; M294-L296 VanDerWaalsContact C-N 3.31Å; M294-L296 PolarHBondContact O-N 3.39Å; M294-V297 HydrophobicContact CE-CG2 3.77Å; M294-V297 WeakPolarHBondContact O-CB 3.5Å; M294-V297 PolarHBondContact O-N 3.46Å; M294-V297 VanDerWaalsContact O-N 3.15Å; M294-V297 HydrophobicContact SD-CG2 4.43Å; M294-V298 WeakPolarHBondContact O-CG2 3.46Å; M294-V298 PolarHBondContact O-N 3.45Å; M294-L315 HydrophobicContact CE-CD2 3.72Å; M294-H319 HydrophobicContact CE-CB 3.92Å; M294-H319 WeakPolarHBondContact CE-CD2 3.44Å
295A97.6Very high96.9Very high7 Ų78.5 Ų8.56%0.0584%0.043CC..Hα-helixtrans-62.7-37.4171.700000112M269 I291 S292 H293 V297 V298 T299M269-A295 HydrophobicContact CB-CB 3.93Å; M269-A295 HydrophobicContact CE-CB 4.36Å; I291-A295 WeakPolarHBondContact O-CB 3.23Å; I291-A295 PolarHBondContact O-N 3.11Å; S292-A295 WeakPolarHBondContact O-CB 3.23Å; S292-A295 PolarHBondContact O-N 3.35Å; H293-A295 VanDerWaalsContact C-N 3.29Å; H293-A295 PolarHBondContact O-N 2.94Å; A295-V297 VanDerWaalsContact C-N 3.34Å; A295-V297 PolarHBondContact O-N 3.05Å; A295-V298 PolarHBondContact O-N 2.76Å; A295-T299 WeakPolarHBondContact O-CG2 3.33Å; A295-T299 PolarHBondContact O-N 3.14Å
296L97.3Very high96.7Very high7 Ų712.7 Ų12.74%0.0377%0.071CC..Hα-helixtrans-60.8-42.8170.9-73.1167.3000111.4M269 H293 M294 V298 T299 A300 L315 E378 V381 T396M269-L296 HydrophobicContact CE-CD2 3.54Å; M269-L296 HydrophobicContact CE-CG 3.89Å; M269-L296 HydrophobicContact SD-CD2 3.74Å; M269-L296 HydrophobicContact SD-CG 4.24Å; H293-L296 WeakPolarHBondContact O-CB 3.14Å; H293-L296 PolarHBondContact O-N 2.72Å; M294-L296 VanDerWaalsContact C-N 3.31Å; M294-L296 PolarHBondContact O-N 3.39Å; L296-V298 PolarHBondContact O-N 3.34Å; L296-T299 WeakPolarHBondContact CA-OG1 3.32Å; L296-T299 PolarHBondContact O-N 2.99Å; L296-T299 PolarHBondContact O-OG1 3.4Å; L296-A300 PolarHBondContact O-N 3.41Å; L296-L315 HydrophobicContact CB-CD1 4.02Å; L296-L315 HydrophobicContact CD1-CD1 4.21Å; L296-E378 HydrophobicContact CD1-CG 4.26Å; L296-V381 HydrophobicContact CB-CG1 4.27Å; L296-V381 HydrophobicContact CD2-CG1 4.1Å; L296-T396 HydrophobicContact CD2-CG2 4.43Å
297V97.6Very high96.5Very high0 Ų020.6 Ų20.60%010%0.101CC..Hα-helixtrans-61-44176178.10000111.5M207 H293 M294 A295 T299 A300 I301 A312 L315 M316M207-V297 HydrophobicContact SD-CB 4.31Å; M207-V297 HydrophobicContact SD-CG1 3.64Å; H293-V297 PolarHBondContact O-N 2.94Å; M294-V297 HydrophobicContact CE-CG2 3.77Å; M294-V297 WeakPolarHBondContact O-CB 3.5Å; M294-V297 PolarHBondContact O-N 3.46Å; M294-V297 VanDerWaalsContact O-N 3.15Å; M294-V297 HydrophobicContact SD-CG2 4.43Å; A295-V297 VanDerWaalsContact C-N 3.34Å; A295-V297 PolarHBondContact O-N 3.05Å; V297-T299 VanDerWaalsContact C-N 3.34Å; V297-T299 PolarHBondContact O-N 2.93Å; V297-A300 PolarHBondContact O-N 3.32Å; V297-I301 HydrophobicContact CG1-CD1 3.63Å; V297-I301 HydrophobicContact CG1-CG1 4.39Å; V297-I301 VanDerWaalsContact O-CG1 3.31Å; V297-I301 WeakPolarHBondContact O-CG1 3.31Å; V297-I301 PolarHBondContact O-N 2.7Å; V297-A312 HydrophobicContact CG1-CB 4.11Å; V297-L315 HydrophobicContact CG2-CB 4.35Å; V297-L315 HydrophobicContact CG2-CD1 4.46Å; V297-L315 HydrophobicContact CG2-CD2 3.56Å; V297-L315 HydrophobicContact CG2-CG 4.33Å; V297-M316 HydrophobicContact CG1-CG 3.8Å; V297-M316 HydrophobicContact CG1-SD 4.05Å; V297-M316 HydrophobicContact CG2-CG 4.05Å
298V97.2Very high96.4Very high1 Ų120.6 Ų20.61%0.00610%0.101CC..Hα-helixtrans-58.5-46.1174.8173.40000110.7M204 M207 L209 M294 A295 L296 A300 I301 L302M204-V298 HydrophobicContact CE-CG1 4.05Å; M204-V298 HydrophobicContact SD-CG1 3.85Å; M204-V298 HydrophobicContact SD-CG2 4.46Å; M207-V298 HydrophobicContact CB-CG2 3.92Å; M207-V298 HydrophobicContact CE-CG2 3.73Å; M207-V298 HydrophobicContact SD-CG2 4.22Å; L209-V298 HydrophobicContact CD1-CG1 4.16Å; M294-V298 WeakPolarHBondContact O-CG2 3.46Å; M294-V298 PolarHBondContact O-N 3.45Å; A295-V298 PolarHBondContact O-N 2.76Å; L296-V298 PolarHBondContact O-N 3.34Å; V298-A300 PolarHBondContact O-N 3.09Å; V298-I301 PolarHBondContact O-N 2.86Å; V298-L302 HydrophobicContact CG1-CD1 3.87Å; V298-L302 HydrophobicContact CG1-CG 4.39Å; V298-L302 WeakPolarHBondContact O-CB 3.11Å; V298-L302 WeakPolarHBondContact O-CG 3.38Å; V298-L302 PolarHBondContact O-N 2.79Å
299T97.1Very high96.3Very high0 Ų020.7 Ų20.70%010%0.102CC..Hα-helixtrans-60.1-46178.559.40000112.2L262 S265 L266 M269 A295 L296 V297 I301 L302 I303L262-T299 HydrophobicContact CD2-CG2 4.35Å; S265-T299 WeakPolarHBondContact OG-CG2 3.08Å; L266-T299 HydrophobicContact CD2-CG2 3.8Å; L266-T299 HydrophobicContact CG-CG2 3.82Å; M269-T299 HydrophobicContact CE-CG2 3.9Å; A295-T299 WeakPolarHBondContact O-CG2 3.33Å; A295-T299 PolarHBondContact O-N 3.14Å; L296-T299 WeakPolarHBondContact CA-OG1 3.32Å; L296-T299 PolarHBondContact O-N 2.99Å; L296-T299 PolarHBondContact O-OG1 3.4Å; V297-T299 VanDerWaalsContact C-N 3.34Å; V297-T299 PolarHBondContact O-N 2.93Å; T299-I301 PolarHBondContact O-N 3.44Å; T299-L302 PolarHBondContact O-N 3.45Å; T299-I303 WeakPolarHBondContact O-CG1 3.26Å; T299-I303 PolarHBondContact O-N 3.33Å; T299-I303 VanDerWaalsContact O-N 3.1Å
300A96.7Very high96.1Very high0 Ų021.2 Ų21.20%011%0.105CC..Hα-helixtrans-65.6-39.1-17900000113L296 V297 V298 Q304 S308 A312 V381L296-A300 PolarHBondContact O-N 3.41Å; V297-A300 PolarHBondContact O-N 3.32Å; V298-A300 PolarHBondContact O-N 3.09Å; A300-Q304 PolarHBondContact O-N 2.98Å; A300-S308 WeakPolarHBondContact CB-O 3.45Å; A300-S308 VanDerWaalsContact O-CB 3.22Å; A300-S308 WeakPolarHBondContact O-CB 3.32Å; A300-S308 PolarHBondContact O-OG 3.1Å; A300-A312 HydrophobicContact CB-CB 3.99Å; A300-V381 HydrophobicContact CB-CB 4.43Å; A300-V381 HydrophobicContact CB-CG1 3.99Å; A300-V381 HydrophobicContact CB-CG2 3.75Å
301I96.4Very high96.1Very high1 Ų121.2 Ų21.21%0.00511%0.105CC..Hα-helixtrans-69.1-37.2178-66.2166000111.2M207 M243 M244 T247 V297 V298 T299 Q304 F309 A312M207-I301 HydrophobicContact CE-CD1 3.78Å; M207-I301 HydrophobicContact SD-CD1 4.25Å; M243-I301 HydrophobicContact CB-CG2 3.69Å; M243-I301 HydrophobicContact CE-CG2 3.95Å; M244-I301 HydrophobicContact CE-CD1 3.86Å; M244-I301 HydrophobicContact CE-CG1 3.6Å; M244-I301 HydrophobicContact CG-CD1 4.07Å; M244-I301 HydrophobicContact CG-CG1 3.98Å; M244-I301 HydrophobicContact CG-CG2 4.29Å; T247-I301 HydrophobicContact CG2-CG2 4.29Å; V297-I301 HydrophobicContact CG1-CD1 3.63Å; V297-I301 HydrophobicContact CG1-CG1 4.39Å; V297-I301 VanDerWaalsContact O-CG1 3.31Å; V297-I301 WeakPolarHBondContact O-CG1 3.31Å; V297-I301 PolarHBondContact O-N 2.7Å; V298-I301 PolarHBondContact O-N 2.86Å; T299-I301 PolarHBondContact O-N 3.44Å; I301-Q304 WeakPolarHBondContact O-CG 3.22Å; I301-Q304 PolarHBondContact O-N 2.84Å; I301-F309 HydrophobicContact CB-CE1 4.47Å; I301-F309 HydrophobicContact CG2-CE1 4.19Å; I301-A312 HydrophobicContact CG1-CB 4.09Å
302L96.2Very high96Very high12 Ų1221.1 Ų21.16%0.06311%0.105CC..Hα-helixtrans-71.7-28.7178.8-73.5177.3000113.7W196 M204 M243 A258 F261 L262 V298 T299 Q304W196-L302 HydrophobicContact CZ2-CD2 4.31Å; M204-L302 HydrophobicContact CE-CD1 3.96Å; M204-L302 HydrophobicContact CE-CD2 3.88Å; M204-L302 HydrophobicContact CE-CG 4.18Å; M243-L302 HydrophobicContact CE-CD2 3.75Å; M243-L302 HydrophobicContact CE-CG 4.14Å; A258-L302 HydrophobicContact CB-CB 4.18Å; A258-L302 HydrophobicContact CB-CD2 4.16Å; F261-L302 HydrophobicContact CB-CD1 3.6Å; L262-L302 HydrophobicContact CD2-CB 3.74Å; L262-L302 HydrophobicContact CD2-CD1 4.11Å; L262-L302 HydrophobicContact CG-CB 4.08Å; L262-L302 HydrophobicContact CG-CD1 4.05Å; V298-L302 HydrophobicContact CG1-CD1 3.87Å; V298-L302 HydrophobicContact CG1-CG 4.39Å; V298-L302 WeakPolarHBondContact O-CB 3.11Å; V298-L302 WeakPolarHBondContact O-CG 3.38Å; V298-L302 PolarHBondContact O-N 2.79Å; T299-L302 PolarHBondContact O-N 3.45Å; L302-Q304 VanDerWaalsContact C-N 3.33Å
303I95.5Very high96Very high23 Ų2321.2 Ų21.212%0.11811%0.105CC..Hα-helixtrans-73.5-26175.4-69.6167.2000112L262 T299 T305 T385 W388L262-I303 HydrophobicContact CD2-CG1 4.13Å; T299-I303 WeakPolarHBondContact O-CG1 3.26Å; T299-I303 PolarHBondContact O-N 3.33Å; T299-I303 VanDerWaalsContact O-N 3.1Å; I303-T305 HydrophobicContact CG2-CG2 3.82Å; I303-T305 PolarHBondContact O-N 3.47Å; I303-T385 HydrophobicContact CD1-CG2 3.58Å; I303-W388 HydrophobicContact CD1-CB 3.96Å; I303-W388 HydrophobicContact CD1-CD2 4.41Å; I303-W388 HydrophobicContact CD1-CG 4.08Å; I303-W388 HydrophobicContact CG1-CB 4.24Å; I303-W388 HydrophobicContact CG1-CD2 4.36Å; I303-W388 HydrophobicContact CG1-CG 3.96Å; I303-W388 HydrophobicContact CG2-CB 4.07Å; I303-W388 HydrophobicContact CG2-CG 4.3Å
304Q94.1Very high95.9Very high43 Ų4321.7 Ų21.720%0.20111%0.108CC..THydrogen-bonded Turntrans56.338.5172.1-57179.5-3500115.4T247 N251 T254 A300 I301 L302 F309T247-Q304 HydrophobicContact CG2-CG 4.26Å; T247-Q304 VanDerWaalsContact CG2-NE2 3.29Å; N251-Q304 PolarHBondContact OD1-NE2 2.98Å; N251-Q304 PolarHBondContact OD1-OE1 3.37Å; T254-Q304 VanDerWaalsContact CG2-NE2 3.34Å; T254-Q304 PolarHBondContact OG1-OE1 3.48Å; A300-Q304 PolarHBondContact O-N 2.98Å; I301-Q304 WeakPolarHBondContact O-CG 3.22Å; I301-Q304 PolarHBondContact O-N 2.84Å; L302-Q304 VanDerWaalsContact C-N 3.33Å; Q304-F309 HydrophobicContact CB-CZ 4Å; Q304-F309 HydrophobicContact CG-CE1 4.49Å; Q304-F309 HydrophobicContact CG-CZ 4.08Å
305T93.8Very high95.9Very high40 Ų4021.7 Ų21.725%0.24511%0.108CC..  trans-96.8153.6170.461.80000110.6I303 W307 S308 F309 T384I303-T305 HydrophobicContact CG2-CG2 3.82Å; I303-T305 PolarHBondContact O-N 3.47Å; T305-W307 VanDerWaalsContact C-N 3.3Å; T305-W307 PolarHBondContact O-N 3.26Å; T305-S308 PolarHBondContact N-OG 3.45Å; T305-S308 PolarHBondContact O-N 3.4Å; T305-S308 PolarHBondContact O-OG 2.96Å; T305-S308 WeakPolarHBondContact OG1-CB 3.36Å; T305-S308 PolarHBondContact OG1-N 3.43Å; T305-S308 PolarHBondContact OG1-OG 3.34Å; T305-F309 PolarHBondContact O-N 3.15Å; T305-T384 WeakPolarHBondContact OG1-CG2 3.29Å
306P93.3Very high95.9Very high88 Ų8821.4 Ų21.457%0.57111%0.105SC*.Hα-helixtrans-55.1-46.1178.1-26.334.3000112.6S308 F309 T310P306-S308 VanDerWaalsContact C-N 3.31Å; P306-S308 PolarHBondContact O-N 3.18Å; P306-F309 PolarHBondContact O-N 3.02Å; P306-T310 WeakPolarHBondContact O-CG2 3.45Å; P306-T310 PolarHBondContact O-N 3.08Å
307W94.1Very high95.9Very high166 Ų16621.3 Ų21.363%0.62911%0.105SC*.Hα-helixtrans-66-29.9177-78.174.7000113.3T305 T310 G311 T384T305-W307 VanDerWaalsContact C-N 3.3Å; T305-W307 PolarHBondContact O-N 3.26Å; W307-T310 WeakPolarHBondContact CA-OG1 3.33Å; W307-T310 PolarHBondContact O-OG1 3.32Å; W307-G311 PolarHBondContact O-N 3.18Å; W307-G311 VanDerWaalsContact O-N 3.1Å; W307-T384 VanDerWaalsContact C-CG2 3.49Å; W307-T384 HydrophobicContact CB-CG2 3.29Å
308S95.3Very high95.9Very high0 Ų021.3 Ų21.30%011%0.105CC..Hα-helixtrans-74.9-38.4176.670.50000111A300 T305 P306 G311 A312 T384A300-S308 WeakPolarHBondContact CB-O 3.45Å; A300-S308 VanDerWaalsContact O-CB 3.22Å; A300-S308 WeakPolarHBondContact O-CB 3.32Å; A300-S308 PolarHBondContact O-OG 3.1Å; T305-S308 PolarHBondContact N-OG 3.45Å; T305-S308 PolarHBondContact O-N 3.4Å; T305-S308 PolarHBondContact O-OG 2.96Å; T305-S308 WeakPolarHBondContact OG1-CB 3.36Å; T305-S308 PolarHBondContact OG1-N 3.43Å; T305-S308 PolarHBondContact OG1-OG 3.34Å; P306-S308 VanDerWaalsContact C-N 3.31Å; P306-S308 PolarHBondContact O-N 3.18Å; S308-G311 PolarHBondContact O-N 3.2Å; S308-A312 VanDerWaalsContact O-CB 3.27Å; S308-A312 WeakPolarHBondContact O-CB 3.45Å; S308-A312 PolarHBondContact O-N 2.93Å; S308-T384 WeakPolarHBondContact CB-OG1 3.48Å; S308-T384 VanDerWaalsContact N-CG2 3.3Å
309F95Very high95.9Very high42 Ų4221.3 Ų21.318%0.18411%0.105CC..Hα-helixtrans-63.5-40.6173.2-70.6-31.3000112.4M244 T247 I301 Q304 T305 P306 A312 V313M244-F309 HydrophobicContact CE-CD1 4.18Å; M244-F309 HydrophobicContact CG-CD1 4.28Å; M244-F309 HydrophobicContact CG-CE1 4.39Å; T247-F309 HydrophobicContact CG2-CE1 4.49Å; T247-F309 HydrophobicContact CG2-CZ 4.2Å; I301-F309 HydrophobicContact CB-CE1 4.47Å; I301-F309 HydrophobicContact CG2-CE1 4.19Å; Q304-F309 HydrophobicContact CB-CZ 4Å; Q304-F309 HydrophobicContact CG-CE1 4.49Å; Q304-F309 HydrophobicContact CG-CZ 4.08Å; T305-F309 PolarHBondContact O-N 3.15Å; P306-F309 PolarHBondContact O-N 3.02Å; F309-A312 PolarHBondContact O-N 3.38Å; F309-V313 WeakPolarHBondContact O-CG2 3.45Å; F309-V313 PolarHBondContact O-N 3.06Å
310T94.7Very high95.9Very high11 Ų1121.3 Ų21.37%0.06711%0.105CC..Hα-helixtrans-66.2-45.1179.2640000110.9P306 W307 A312 V313 I314 T455 S458P306-T310 WeakPolarHBondContact O-CG2 3.45Å; P306-T310 PolarHBondContact O-N 3.08Å; W307-T310 WeakPolarHBondContact CA-OG1 3.33Å; W307-T310 PolarHBondContact O-OG1 3.32Å; T310-A312 VanDerWaalsContact C-N 3.34Å; T310-A312 PolarHBondContact O-N 3.2Å; T310-V313 PolarHBondContact O-N 2.86Å; T310-I314 VanDerWaalsContact O-CG1 3.25Å; T310-I314 WeakPolarHBondContact O-CG1 3.35Å; T310-I314 PolarHBondContact O-N 3.5Å; T310-T455 WeakPolarHBondContact CA-O 3.41Å; T310-T455 VanDerWaalsContact CB-O 3.26Å; T310-T455 WeakPolarHBondContact CB-O 3.41Å; T310-T455 WeakPolarHBondContact CG2-O 3.46Å; T310-S458 WeakPolarHBondContact CG2-OG 3.17Å
311G96.1Very high96Very high0 Ų021.7 Ų21.70%011%0.106CC..Hα-helixtrans-59.2-42.3173.100000113.7W307 S308 I314 L315 S380W307-G311 PolarHBondContact O-N 3.18Å; W307-G311 VanDerWaalsContact O-N 3.1Å; S308-G311 PolarHBondContact O-N 3.2Å; G311-I314 PolarHBondContact O-N 3.21Å; G311-L315 WeakPolarHBondContact O-CB 3.18Å; G311-L315 PolarHBondContact O-N 3.43Å; G311-S380 WeakPolarHBondContact CA-OG 3.34Å
312A96.6Very high96Very high0 Ų021.7 Ų21.70%011%0.107CC..Hα-helixtrans-62.6-43.8176.200000112.5M244 V297 A300 I301 S308 F309 T310 M316M244-A312 HydrophobicContact CE-CB 3.37Å; V297-A312 HydrophobicContact CG1-CB 4.11Å; A300-A312 HydrophobicContact CB-CB 3.99Å; I301-A312 HydrophobicContact CG1-CB 4.09Å; S308-A312 VanDerWaalsContact O-CB 3.27Å; S308-A312 WeakPolarHBondContact O-CB 3.45Å; S308-A312 PolarHBondContact O-N 2.93Å; F309-A312 PolarHBondContact O-N 3.38Å; T310-A312 VanDerWaalsContact C-N 3.34Å; T310-A312 PolarHBondContact O-N 3.2Å; A312-M316 VanDerWaalsContact O-CB 3.3Å; A312-M316 WeakPolarHBondContact O-CB 3.04Å; A312-M316 WeakPolarHBondContact O-CG 3.34Å; A312-M316 PolarHBondContact O-N 2.93Å
313V95.8Very high96.1Very high2 Ų221.2 Ų21.21%0.01210%0.104CC..Hα-helixtrans-64.5-48.2177.3176.20000111L61 M244 F309 T310 L315 M316 I317 I454L61-V313 HydrophobicContact CG-CG2 4.24Å; M244-V313 HydrophobicContact CE-CG2 3.82Å; M244-V313 HydrophobicContact SD-CG2 3.9Å; F309-V313 WeakPolarHBondContact O-CG2 3.45Å; F309-V313 PolarHBondContact O-N 3.06Å; T310-V313 PolarHBondContact O-N 2.86Å; V313-L315 PolarHBondContact O-N 3.49Å; V313-M316 HydrophobicContact CB-CE 4.47Å; V313-M316 HydrophobicContact CG2-CE 4.13Å; V313-M316 WeakPolarHBondContact O-CB 3.37Å; V313-M316 PolarHBondContact O-N 3.32Å; V313-I317 HydrophobicContact CG1-CD1 3.83Å; V313-I317 WeakPolarHBondContact O-CD1 3.38Å; V313-I317 WeakPolarHBondContact O-CG1 3.45Å; V313-I317 PolarHBondContact O-N 3.45Å; V313-I317 VanDerWaalsContact O-N 3.13Å; V313-I454 WeakPolarHBondContact CG1-O 3.4Å
314I96.5Very high96.2Very high12 Ų1220.1 Ų20.16%0.06210%0.099CC..Hα-helixtrans-58.6-49.7178.6-65.7168.7000110.2T310 G311 M316 I317 A318 I373 L376 I454 T455T310-I314 VanDerWaalsContact O-CG1 3.25Å; T310-I314 WeakPolarHBondContact O-CG1 3.35Å; T310-I314 PolarHBondContact O-N 3.5Å; G311-I314 PolarHBondContact O-N 3.21Å; I314-M316 PolarHBondContact O-N 3.12Å; I314-I317 PolarHBondContact O-N 2.89Å; I314-A318 VanDerWaalsContact O-CB 3.23Å; I314-A318 WeakPolarHBondContact O-CB 3.34Å; I314-A318 PolarHBondContact O-N 2.67Å; I314-I373 HydrophobicContact CG2-CB 4.33Å; I314-I373 WeakPolarHBondContact CG2-O 3.4Å; I314-L376 HydrophobicContact CG2-CB 4.23Å; I314-I454 HydrophobicContact CB-CD1 4.46Å; I314-I454 HydrophobicContact CG1-CD1 4.24Å; I314-I454 HydrophobicContact CG1-CG1 4.15Å; I314-I454 WeakPolarHBondContact CG1-O 3.44Å; I314-I454 HydrophobicContact CG2-CD1 4.02Å; I314-T455 HydrophobicContact CD1-CG2 4.22Å
315L97.2Very high96.4Very high1 Ų118.1 Ų18.11%0.0059%0.089CC..Hα-helixtrans-64-39.1-179.9-165.7165.8000111.3H293 M294 L296 V297 G311 V313 I317 A318 H319 E378 V381H293-L315 HydrophobicContact CB-CD2 4.4Å; M294-L315 HydrophobicContact CE-CD2 3.72Å; L296-L315 HydrophobicContact CB-CD1 4.02Å; L296-L315 HydrophobicContact CD1-CD1 4.21Å; V297-L315 HydrophobicContact CG2-CB 4.35Å; V297-L315 HydrophobicContact CG2-CD1 4.46Å; V297-L315 HydrophobicContact CG2-CD2 3.56Å; V297-L315 HydrophobicContact CG2-CG 4.33Å; G311-L315 WeakPolarHBondContact O-CB 3.18Å; G311-L315 PolarHBondContact O-N 3.43Å; V313-L315 PolarHBondContact O-N 3.49Å; L315-I317 VanDerWaalsContact C-N 3.34Å; L315-I317 PolarHBondContact O-N 2.88Å; L315-A318 PolarHBondContact O-N 2.92Å; L315-H319 HydrophobicContact CD2-CB 4Å; L315-H319 WeakPolarHBondContact O-CB 3.49Å; L315-H319 PolarHBondContact O-N 2.89Å; L315-E378 HydrophobicContact CD1-CG 3.73Å; L315-E378 HydrophobicContact CG-CG 4.4Å; L315-V381 HydrophobicContact CD1-CG2 4.49Å
316M97.5Very high96.6Very high0 Ų016.2 Ų16.20%08%0.078CC..Hα-helixtrans-56.9-45.9174.6-83.9-168.6-63.700112.3K237 M244 V297 A312 V313 I314 G320K237-M316 HydrophobicContact CB-SD 4.19Å; K237-M316 WeakPolarHBondContact CE-O 3.41Å; K237-M316 HydrophobicContact CG-CB 3.78Å; K237-M316 HydrophobicContact CG-CG 3.92Å; K237-M316 HydrophobicContact CG-SD 4.06Å; M244-M316 HydrophobicContact CE-CE 3.8Å; M244-M316 HydrophobicContact SD-CE 4.11Å; V297-M316 HydrophobicContact CG1-CG 3.8Å; V297-M316 HydrophobicContact CG1-SD 4.05Å; V297-M316 HydrophobicContact CG2-CG 4.05Å; A312-M316 VanDerWaalsContact O-CB 3.3Å; A312-M316 WeakPolarHBondContact O-CB 3.04Å; A312-M316 WeakPolarHBondContact O-CG 3.34Å; A312-M316 PolarHBondContact O-N 2.93Å; V313-M316 HydrophobicContact CB-CE 4.47Å; V313-M316 HydrophobicContact CG2-CE 4.13Å; V313-M316 WeakPolarHBondContact O-CB 3.37Å; V313-M316 PolarHBondContact O-N 3.32Å; I314-M316 PolarHBondContact O-N 3.12Å; M316-G320 PolarHBondContact O-N 3.25Å
317I97.1Very high96.8Very high5 Ų512 Ų123%0.0265%0.051CC..Hα-helixtrans-70.8-48.8-179.8-61.7152.3000110.4P64 V313 I314 L315 G320 L321 L447 I454P64-I317 HydrophobicContact CB-CD1 3.26Å; P64-I317 HydrophobicContact CB-CG1 3.96Å; P64-I317 HydrophobicContact CG-CD1 4.03Å; V313-I317 HydrophobicContact CG1-CD1 3.83Å; V313-I317 WeakPolarHBondContact O-CD1 3.38Å; V313-I317 WeakPolarHBondContact O-CG1 3.45Å; V313-I317 PolarHBondContact O-N 3.45Å; V313-I317 VanDerWaalsContact O-N 3.13Å; I314-I317 PolarHBondContact O-N 2.89Å; L315-I317 VanDerWaalsContact C-N 3.34Å; L315-I317 PolarHBondContact O-N 2.88Å; I317-G320 PolarHBondContact O-N 3.42Å; I317-G320 VanDerWaalsContact O-N 3.1Å; I317-L321 PolarHBondContact O-N 2.99Å; I317-L321 VanDerWaalsContact O-N 3.11Å; I317-L447 HydrophobicContact CG2-CD1 4.23Å; I317-I454 HydrophobicContact CD1-CB 3.61Å; I317-I454 HydrophobicContact CD1-CG2 3.72Å
318A97.2Very high97Very high0 Ų04.4 Ų4.40%02%0.022CC..Hα-helixtrans-59.9-50.8-178.100000111.2I314 L315 G320 L321 T322 I373 N374I314-A318 VanDerWaalsContact O-CB 3.23Å; I314-A318 WeakPolarHBondContact O-CB 3.34Å; I314-A318 PolarHBondContact O-N 2.67Å; L315-A318 PolarHBondContact O-N 2.92Å; A318-G320 VanDerWaalsContact C-N 3.26Å; A318-G320 PolarHBondContact O-N 3.13Å; A318-L321 PolarHBondContact O-N 3.32Å; A318-T322 WeakPolarHBondContact O-CG2 3.33Å; A318-T322 PolarHBondContact O-N 2.94Å; A318-T322 PolarHBondContact O-OG1 3.19Å; A318-I373 HydrophobicContact CB-CB 4.13Å; A318-I373 HydrophobicContact CB-CD1 3.63Å; A318-I373 HydrophobicContact CB-CG1 3.62Å; A318-N374 HydrophobicContact CB-CB 4.31Å; A318-N374 WeakPolarHBondContact CB-OD1 3.32Å; A318-N374 PolarHBondContact O-OD1 3.33Å
319H97.6Very high97.1Very high2 Ų24.4 Ų4.41%0.0092%0.022CC..Hα-helixtrans-62.7-33.8175-17866.6000112.2K237 S290 H293 M294 L315 L321 T322 S323 N374K237-H319 PolarHBondContact NZ-CD2 2.95Å; K237-H319 VanDerWaalsContact NZ-CD2 3.33Å; S290-H319 WeakPolarHBondContact CA-NE2 3.4Å; S290-H319 WeakPolarHBondContact CB-NE2 3.26Å; H293-H319 AromaticContact CD2-CE1 3.57Å; H293-H319 AromaticContact CD2-ND1 3.39Å; H293-H319 PolarHBondContact CD2-ND1 3.01Å; H293-H319 AromaticContact CG-CE1 3.95Å; H293-H319 AromaticContact CG-ND1 3.62Å; M294-H319 HydrophobicContact CE-CB 3.92Å; M294-H319 WeakPolarHBondContact CE-CD2 3.44Å; L315-H319 HydrophobicContact CD2-CB 4Å; L315-H319 WeakPolarHBondContact O-CB 3.49Å; L315-H319 PolarHBondContact O-N 2.89Å; H319-L321 VanDerWaalsContact C-N 3.34Å; H319-L321 PolarHBondContact O-N 2.98Å; H319-T322 VanDerWaalsContact CA-OG1 3.29Å; H319-T322 WeakPolarHBondContact CA-OG1 3.02Å; H319-T322 PolarHBondContact O-OG1 3.22Å; H319-S323 VanDerWaalsContact O-CB 3.22Å; H319-S323 WeakPolarHBondContact O-CB 3.3Å; H319-S323 PolarHBondContact O-N 2.7Å; H319-S323 PolarHBondContact O-OG 3.29Å; H319-N374 PolarHBondContact N-OD1 3.13Å
320G97.3Very high97.2Very high0 Ų02.7 Ų2.70%02%0.016CC..Hα-helixtrans-61.9-40.4176.800000113.1A233 M316 I317 A318 S324A233-G320 WeakPolarHBondContact CB-O 3.37Å; M316-G320 PolarHBondContact O-N 3.25Å; I317-G320 PolarHBondContact O-N 3.42Å; I317-G320 VanDerWaalsContact O-N 3.1Å; A318-G320 VanDerWaalsContact C-N 3.26Å; A318-G320 PolarHBondContact O-N 3.13Å; G320-S324 WeakPolarHBondContact O-CB 3.26Å; G320-S324 PolarHBondContact O-N 3.04Å; G320-S324 PolarHBondContact O-OG 2.96Å
321L97.5Very high97.3Very high7 Ų72.7 Ų2.74%0.0372%0.015CC..Hα-helixtrans-75.5-41.4176.1-66.4169000112.5L68 I317 A318 H319 S324 L325 P443 I444 L447L68-L321 HydrophobicContact CD1-CD2 3.51Å; L68-L321 HydrophobicContact CD1-CG 3.74Å; I317-L321 PolarHBondContact O-N 2.99Å; I317-L321 VanDerWaalsContact O-N 3.11Å; A318-L321 PolarHBondContact O-N 3.32Å; H319-L321 VanDerWaalsContact C-N 3.34Å; H319-L321 PolarHBondContact O-N 2.98Å; L321-S324 PolarHBondContact O-OG 2.9Å; L321-L325 WeakPolarHBondContact O-CB 3.45Å; L321-L325 PolarHBondContact O-N 3.21Å; L321-L325 VanDerWaalsContact O-N 3.15Å; L321-P443 HydrophobicContact CD1-CB 4.03Å; L321-I444 HydrophobicContact CB-CD1 3.7Å; L321-I444 HydrophobicContact CB-CG1 3.62Å; L321-I444 HydrophobicContact CD1-CG1 3.71Å; L321-I444 HydrophobicContact CG-CG1 4.29Å; L321-L447 HydrophobicContact CD1-CD1 4.37Å
322T97.9Very high97.3Very high2 Ų22.8 Ų2.81%0.0122%0.016CC..Hα-helixtrans-69.5-46.1-179.655.50000112.6A318 H319 L325 L326 A365 N374 I444A318-T322 WeakPolarHBondContact O-CG2 3.33Å; A318-T322 PolarHBondContact O-N 2.94Å; A318-T322 PolarHBondContact O-OG1 3.19Å; H319-T322 VanDerWaalsContact CA-OG1 3.29Å; H319-T322 WeakPolarHBondContact CA-OG1 3.02Å; H319-T322 PolarHBondContact O-OG1 3.22Å; T322-L325 PolarHBondContact O-N 2.72Å; T322-L326 WeakPolarHBondContact O-CG 3.09Å; T322-L326 PolarHBondContact O-N 2.98Å; T322-A365 HydrophobicContact CG2-CB 3.57Å; T322-N374 WeakPolarHBondContact CG2-ND2 3.41Å; T322-I444 HydrophobicContact CG2-CD1 3.85Å
323S97.4Very high97.2Very high1 Ų13 Ų31%0.0072%0.017CC..Hα-helixtrans-64.8-41.6179.960.30000112.1A232 H319 L325 L326 F327A232-S323 WeakPolarHBondContact CB-OG 3.3Å; H319-S323 VanDerWaalsContact O-CB 3.22Å; H319-S323 WeakPolarHBondContact O-CB 3.3Å; H319-S323 PolarHBondContact O-N 2.7Å; H319-S323 PolarHBondContact O-OG 3.29Å; S323-L325 PolarHBondContact O-N 3.07Å; S323-L326 PolarHBondContact O-N 3.26Å; S323-F327 WeakPolarHBondContact O-CD2 3.38Å; S323-F327 PolarHBondContact O-N 3.01Å
324S97.7Very high97.2Very high1 Ų14.6 Ų4.61%0.0072%0.023CC..Hα-helixtrans-61.9-43.2175.551.60000111.7G320 L321 F327 C328 H440G320-S324 WeakPolarHBondContact O-CB 3.26Å; G320-S324 PolarHBondContact O-N 3.04Å; G320-S324 PolarHBondContact O-OG 2.96Å; L321-S324 PolarHBondContact O-OG 2.9Å; S324-F327 PolarHBondContact O-N 2.96Å; S324-C328 PolarHBondContact O-N 3.44Å; S324-C328 PolarHBondContact O-SG 3.18Å; S324-H440 PolarHBondContact OG-CD2 3.2Å; S324-H440 VanDerWaalsContact OG-CD2 3.26Å
325L98.1Very high97.1Very high1 Ų15.6 Ų5.61%0.0053%0.028CC..Hα-helixtrans-60.9-45.2173.8179.2146.6000112.5L321 T322 S323 F327 C328 L329 A362 M437 H440 L441L321-L325 WeakPolarHBondContact O-CB 3.45Å; L321-L325 PolarHBondContact O-N 3.21Å; L321-L325 VanDerWaalsContact O-N 3.15Å; T322-L325 PolarHBondContact O-N 2.72Å; S323-L325 PolarHBondContact O-N 3.07Å; L325-F327 VanDerWaalsContact C-N 3.34Å; L325-F327 PolarHBondContact O-N 2.73Å; L325-C328 WeakPolarHBondContact O-CA 3.46Å; L325-C328 WeakPolarHBondContact O-CB 3.38Å; L325-C328 PolarHBondContact O-N 2.97Å; L325-L329 HydrophobicContact CD2-CD1 3.5Å; L325-L329 HydrophobicContact CD2-CG 4.11Å; L325-L329 HydrophobicContact CG-CD1 4.46Å; L325-L329 WeakPolarHBondContact O-CG 3.27Å; L325-L329 PolarHBondContact O-N 3.23Å; L325-A362 HydrophobicContact CD2-CB 3.08Å; L325-M437 HydrophobicContact CG-SD 4.26Å; L325-H440 HydrophobicContact CB-CB 3.81Å; L325-H440 HydrophobicContact CD1-CB 3.59Å; L325-H440 HydrophobicContact CG-CB 4.16Å; L325-L441 HydrophobicContact CD1-CD1 3.92Å; L325-L441 HydrophobicContact CD1-CD2 3.86Å; L325-L441 HydrophobicContact CD1-CG 3.45Å; L325-L441 VanDerWaalsContact CD1-CG 3.45Å
326L98Very high96.9Very high0 Ų06.7 Ų6.70%03%0.032CC..Hα-helixtrans-61-41.9177.9-73.9171.7000111.7I286 T322 S323 C328 L329 A330 W359 A362 N366 M410I286-L326 HydrophobicContact CD1-CB 3.9Å; I286-L326 WeakPolarHBondContact CD1-O 3.35Å; I286-L326 HydrophobicContact CG1-CB 4.11Å; I286-L326 HydrophobicContact CG2-CB 3.92Å; I286-L326 HydrophobicContact CG2-CD1 4.47Å; T322-L326 WeakPolarHBondContact O-CG 3.09Å; T322-L326 PolarHBondContact O-N 2.98Å; S323-L326 PolarHBondContact O-N 3.26Å; L326-C328 VanDerWaalsContact C-N 3.27Å; L326-C328 PolarHBondContact O-N 2.85Å; L326-L329 HydrophobicContact CD2-CD1 4.47Å; L326-L329 PolarHBondContact O-N 2.93Å; L326-A330 WeakPolarHBondContact O-CB 3.28Å; L326-A330 PolarHBondContact O-N 3.37Å; L326-W359 HydrophobicContact CD2-CZ3 4.37Å; L326-A362 HydrophobicContact CD2-CB 3.67Å; L326-A362 HydrophobicContact CG-CB 4.39Å; L326-N366 HydrophobicContact CD1-CB 4.11Å; L326-M410 HydrophobicContact CD1-CE 4.44Å; L326-M410 HydrophobicContact CD2-CE 4.44Å; L326-M410 HydrophobicContact CD2-SD 3.98Å
327F98Very high96.7Very high0 Ų08 Ų80%04%0.04CC..Hα-helixtrans-63.3-34.6174-79.6-63.5000112.1H220 I225 A232 K283 I286 A287 S323 S324 L325 A330 N331H220-F327 HydrophobicContact CB-CE1 4.09Å; H220-F327 HydrophobicContact CB-CZ 3.9Å; H220-F327 AromaticContact CE1-CE2 3.91Å; H220-F327 AromaticContact CG-CZ 3.77Å; H220-F327 AromaticContact ND1-CE1 4Å; H220-F327 AromaticContact ND1-CE2 3.39Å; H220-F327 WeakPolarHBondContact ND1-CE2 3.36Å; H220-F327 AromaticContact ND1-CZ 3.23Å; H220-F327 WeakPolarHBondContact ND1-CZ 3.34Å; I225-F327 HydrophobicContact CD1-CB 4.02Å; I225-F327 WeakPolarHBondContact CD1-O 3.49Å; A232-F327 HydrophobicContact CB-CD2 3.82Å; A232-F327 HydrophobicContact CB-CE2 3.65Å; K283-F327 HydrophobicContact CB-CE1 4.49Å; K283-F327 HydrophobicContact CG-CD1 4.49Å; I286-F327 HydrophobicContact CB-CD1 4.39Å; I286-F327 HydrophobicContact CB-CE1 3.93Å; I286-F327 HydrophobicContact CB-CE2 4.42Å; I286-F327 HydrophobicContact CB-CZ 3.93Å; I286-F327 HydrophobicContact CD1-CD1 4.36Å; I286-F327 HydrophobicContact CG2-CD1 4.14Å; I286-F327 HydrophobicContact CG2-CD2 3.84Å; I286-F327 HydrophobicContact CG2-CE1 3.85Å; I286-F327 HydrophobicContact CG2-CE2 3.5Å; I286-F327 HydrophobicContact CG2-CG 4.13Å; I286-F327 HydrophobicContact CG2-CZ 3.51Å; A287-F327 HydrophobicContact CB-CZ 4.4Å; S323-F327 WeakPolarHBondContact O-CD2 3.38Å; S323-F327 PolarHBondContact O-N 3.01Å; S324-F327 PolarHBondContact O-N 2.96Å; L325-F327 VanDerWaalsContact C-N 3.34Å; L325-F327 PolarHBondContact O-N 2.73Å; F327-A330 WeakPolarHBondContact O-CB 3.33Å; F327-A330 PolarHBondContact O-N 3.31Å; F327-N331 WeakPolarHBondContact O-CB 3.26Å; F327-N331 PolarHBondContact O-N 3.17Å
328C97.6Very high96.5Very high5 Ų514.6 Ų14.63%0.0347%0.071CC..Hα-helixtrans-69.7-40.2175.4-66.80000112.7M229 S324 L325 L326 N331 S332 L436 M437M229-C328 PolarHBondContact SD-SG 3.44Å; S324-C328 PolarHBondContact O-N 3.44Å; S324-C328 PolarHBondContact O-SG 3.18Å; L325-C328 WeakPolarHBondContact O-CA 3.46Å; L325-C328 WeakPolarHBondContact O-CB 3.38Å; L325-C328 PolarHBondContact O-N 2.97Å; L326-C328 VanDerWaalsContact C-N 3.27Å; L326-C328 PolarHBondContact O-N 2.85Å; C328-N331 WeakPolarHBondContact O-CB 3.34Å; C328-N331 PolarHBondContact O-N 3.28Å; C328-S332 PolarHBondContact O-N 3.07Å; C328-L436 HydrophobicContact CB-CD2 3.35Å; C328-M437 HydrophobicContact CB-CE 3.83Å; C328-M437 HydrophobicContact CB-SD 4.16Å
329L97.6Very high96.3Very high0 Ų016 Ų160%08%0.08CC..Hα-helixtrans-62-45.1172.4-71.7174.2000110.9L325 L326 N331 S332 N333 M355 W358 W359 A362 M437L325-L329 HydrophobicContact CD2-CD1 3.5Å; L325-L329 HydrophobicContact CD2-CG 4.11Å; L325-L329 HydrophobicContact CG-CD1 4.46Å; L325-L329 WeakPolarHBondContact O-CG 3.27Å; L325-L329 PolarHBondContact O-N 3.23Å; L326-L329 HydrophobicContact CD2-CD1 4.47Å; L326-L329 PolarHBondContact O-N 2.93Å; L329-N331 PolarHBondContact O-N 3.21Å; L329-S332 PolarHBondContact O-N 3.42Å; L329-S332 VanDerWaalsContact O-N 3.11Å; L329-S332 PolarHBondContact O-OG 2.9Å; L329-N333 PolarHBondContact O-N 3.09Å; L329-M355 HydrophobicContact CD2-CG 4.43Å; L329-M355 HydrophobicContact CD2-SD 3.44Å; L329-M355 WeakPolarHBondContact CD2-SD 3.36Å; L329-W358 HydrophobicContact CD2-CB 4.06Å; L329-W359 HydrophobicContact CB-CD2 4.05Å; L329-W359 HydrophobicContact CB-CE3 4.38Å; L329-W359 HydrophobicContact CB-CH2 3.84Å; L329-W359 HydrophobicContact CB-CZ2 3.49Å; L329-W359 VanDerWaalsContact CB-CZ2 3.49Å; L329-W359 HydrophobicContact CB-CZ3 4.27Å; L329-W359 HydrophobicContact CD1-CB 4.47Å; L329-W359 HydrophobicContact CD1-CD2 3.77Å; L329-W359 HydrophobicContact CD1-CE3 3.93Å; L329-W359 HydrophobicContact CD1-CG 4Å; L329-W359 HydrophobicContact CD1-CZ3 4.41Å; L329-W359 HydrophobicContact CD2-CD2 4.42Å; L329-W359 HydrophobicContact CD2-CG 4.23Å; L329-W359 HydrophobicContact CG-CD2 4.33Å; L329-A362 HydrophobicContact CD1-CB 3.54Å; L329-M437 HydrophobicContact CD2-CE 3.76Å; L329-M437 HydrophobicContact CD2-CG 4.07Å; L329-M437 HydrophobicContact CD2-SD 3.62Å; L329-M437 HydrophobicContact CG-CE 4.13Å; L329-M437 HydrophobicContact CG-SD 3.82Å
330A97.5Very high96.1Very high6 Ų618.1 Ų18.15%0.059%0.088CC..Hα-helixtrans-53.5-43.7171.300000112.3L282 K283 I286 L326 F327 N333 Y334L282-A330 HydrophobicContact CD2-CB 3.11Å; K283-A330 HydrophobicContact CG-CB 4.14Å; I286-A330 HydrophobicContact CD1-CB 3.85Å; L326-A330 WeakPolarHBondContact O-CB 3.28Å; L326-A330 PolarHBondContact O-N 3.37Å; F327-A330 WeakPolarHBondContact O-CB 3.33Å; F327-A330 PolarHBondContact O-N 3.31Å; A330-N333 PolarHBondContact O-N 2.84Å; A330-Y334 WeakPolarHBondContact O-CB 3.38Å; A330-Y334 PolarHBondContact O-N 2.91Å
331N97Very high96Very high11 Ų1121.6 Ų21.66%0.05911%0.106CC..Hα-helixtrans-67.7-36.8178.9-174.361.3000112.7I225 F327 C328 L329 N333 Y334 E335I225-N331 HydrophobicContact CB-CB 4.19Å; I225-N331 HydrophobicContact CD1-CB 3.71Å; I225-N331 HydrophobicContact CG1-CB 3.81Å; F327-N331 WeakPolarHBondContact O-CB 3.26Å; F327-N331 PolarHBondContact O-N 3.17Å; C328-N331 WeakPolarHBondContact O-CB 3.34Å; C328-N331 PolarHBondContact O-N 3.28Å; L329-N331 PolarHBondContact O-N 3.21Å; N331-N333 VanDerWaalsContact C-N 3.29Å; N331-N333 PolarHBondContact O-N 3.42Å; N331-Y334 PolarHBondContact O-N 3.33Å; N331-E335 PolarHBondContact ND2-OE1 2.97Å; N331-E335 WeakPolarHBondContact O-CB 3.19Å; N331-E335 WeakPolarHBondContact O-CG 3.36Å; N331-E335 PolarHBondContact O-N 2.99Å
332S96.1Very high95.8Very high2 Ų221.2 Ų21.21%0.01410%0.104CC..Hα-helixtrans-63.4-34175.367.80000113.1C328 L329 R336 M355C328-S332 PolarHBondContact O-N 3.07Å; L329-S332 PolarHBondContact O-N 3.42Å; L329-S332 VanDerWaalsContact O-N 3.11Å; L329-S332 PolarHBondContact O-OG 2.9Å; S332-R336 PolarHBondContact O-NH1 3.39Å; S332-M355 WeakPolarHBondContact OG-CE 3.46Å
333N95.3Very high95.5Very high5 Ų525.2 Ų25.23%0.02712%0.124CC..Hα-helixtrans-70.5-43.3171.8-68-0.9000110.6L329 A330 N331 R336 T337 W359L329-N333 PolarHBondContact O-N 3.09Å; A330-N333 PolarHBondContact O-N 2.84Å; N331-N333 VanDerWaalsContact C-N 3.29Å; N331-N333 PolarHBondContact O-N 3.42Å; N333-R336 PolarHBondContact O-N 3.35Å; N333-T337 PolarHBondContact O-N 2.89Å; N333-T337 PolarHBondContact O-OG1 2.99Å; N333-W359 WeakPolarHBondContact ND2-CZ2 3.08Å
334Y95.3Very high95.2Very high35 Ų3528.7 Ų28.714%0.13714%0.142CC..Hα-helixtrans-64.2-39.1179.7-178.2-95.7000113.1N138 A330 N331 R336 H338 R340N138-Y334 VanDerWaalsContact ND2-CE1 3.25Å; N138-Y334 WeakPolarHBondContact ND2-CE1 3.43Å; N138-Y334 PolarHBondContact ND2-OH 3.15Å; A330-Y334 WeakPolarHBondContact O-CB 3.38Å; A330-Y334 PolarHBondContact O-N 2.91Å; N331-Y334 PolarHBondContact O-N 3.33Å; Y334-R336 PolarHBondContact O-N 2.92Å; Y334-H338 VanDerWaalsContact O-CA 3.23Å; Y334-H338 WeakPolarHBondContact O-CA 3.35Å; Y334-H338 PolarHBondContact O-N 3.11Å; Y334-R340 HydrophobicContact CD2-CG 3.74Å; Y334-R340 HydrophobicContact CE2-CG 3.88Å
335E94.3Very high94.7Very high34 Ų3428.9 Ų28.916%0.15914%0.144CC..Hα-helixtrans-65-16.9177.2-76.5-178.5-172.400113.2R82 N331 R432R82-E335 VanDerWaalsContact CG-OE2 3.3Å; R82-E335 WeakPolarHBondContact CG-OE2 3.48Å; N331-E335 PolarHBondContact ND2-OE1 2.97Å; N331-E335 WeakPolarHBondContact O-CB 3.19Å; N331-E335 WeakPolarHBondContact O-CG 3.36Å; N331-E335 PolarHBondContact O-N 2.99Å; E335-R432 IonicContact OE1-NH2 3.17Å; E335-R432 IonicContact OE2-NH2 3.95Å; E335-R432 PolarHBondContact OE2-NH2 3.42Å
336R93.5Very high94.4Very high23 Ų2331.6 Ų31.69%0.08716%0.156CC..Hα-helixtrans-101.4-46177.3-65.7174.9174.669.83.1112.9S332 N333 Y334 M426 K427 P428 E433S332-R336 PolarHBondContact O-NH1 3.39Å; N333-R336 PolarHBondContact O-N 3.35Å; Y334-R336 PolarHBondContact O-N 2.92Å; R336-M426 HydrophobicContact CB-CE 3.98Å; R336-M426 HydrophobicContact CB-SD 3.68Å; R336-M426 HydrophobicContact CG-CE 4.42Å; R336-M426 HydrophobicContact CG-SD 4.42Å; R336-K427 PolarHBondContact NE-O 2.96Å; R336-K427 PolarHBondContact NH2-O 3.34Å; R336-P428 PolarHBondContact NH2-O 2.99Å; R336-E433 IonicContact CZ-OE1 3.54Å; R336-E433 IonicContact CZ-OE2 3.5Å; R336-E433 IonicContact NH1-OE1 2.82Å; R336-E433 PolarHBondContact NH1-OE1 3.45Å; R336-E433 IonicContact NH1-OE2 3.37Å; R336-E433 PolarHBondContact NH1-OE2 3.29Å; R336-E433 IonicContact NH2-OE1 3.39Å; R336-E433 PolarHBondContact NH2-OE1 3.42Å; R336-E433 IonicContact NH2-OE2 2.7Å; R336-E433 PolarHBondContact NH2-OE2 3.18Å
337T92.5Very high94.1Very high28 Ų2831.6 Ų31.617%0.17216%0.157CC..Hα-helixtrans-94.2-14.8-173.262.60000113.5N333 S339 I423 M426N333-T337 PolarHBondContact O-N 2.89Å; N333-T337 PolarHBondContact O-OG1 2.99Å; T337-S339 PolarHBondContact O-N 3.39Å; T337-S339 PolarHBondContact OG1-O 3.33Å; T337-I423 HydrophobicContact CG2-CD1 4.16Å; T337-M426 HydrophobicContact CG2-CE 4.37Å; T337-M426 HydrophobicContact CG2-SD 4.14Å
338H92.7Very high93.9Very high144 Ų14431.9 Ų31.967%0.66716%0.158SC*.SBendtrans55.314.5-173.9-63.2-65.1000115.3Y334Y334-H338 VanDerWaalsContact O-CA 3.23Å; Y334-H338 WeakPolarHBondContact O-CA 3.35Å; Y334-H338 PolarHBondContact O-N 3.11Å
339S93Very high93.8Very high28 Ų2836 Ų3620%0.19618%0.177CC..  trans-129.1150.6179.1700000110.6T337 L344T337-S339 PolarHBondContact O-N 3.39Å; T337-S339 PolarHBondContact OG1-O 3.33Å; S339-L344 VanDerWaalsContact OG-CD1 3.31Å; S339-L344 WeakPolarHBondContact OG-CD1 3.19Å
340R93.1Very high93.6Very high47 Ų4740.8 Ų40.818%0.17721%0.206CC..  trans-95.6-5.7178.1-59.9-175-68.1-149.52.1112.6V221 E222 L282 Y334 M342V221-R340 PolarHBondContact O-NH1 2.95Å; E222-R340 VanDerWaalsContact CD-NH1 3.34Å; E222-R340 IonicContact OE1-CZ 2.88Å; E222-R340 IonicContact OE1-NH1 2.67Å; E222-R340 PolarHBondContact OE1-NH1 2.99Å; E222-R340 IonicContact OE1-NH2 3.79Å; E222-R340 PolarHBondContact OE1-NH2 3.16Å; E222-R340 IonicContact OE2-CZ 3.53Å; E222-R340 IonicContact OE2-NH1 3.17Å; E222-R340 PolarHBondContact OE2-NH1 2.98Å; E222-R340 IonicContact OE2-NH2 3.54Å; L282-R340 PolarHBondContact N-O 3.24Å; Y334-R340 HydrophobicContact CD2-CG 3.74Å; Y334-R340 HydrophobicContact CE2-CG 3.88Å; R340-M342 PolarHBondContact O-N 3.15Å
341I95.3Very high93.4Very high73 Ų7344.2 Ų44.237%0.37422%0.224SC..BIsolated β-bridgetrans-72.6119-174.6-59.7169.6000108.7I343 L344I341-I343 VanDerWaalsContact C-N 3.32Å; I341-I343 HydrophobicContact CG2-CB 4.38Å; I341-I343 PolarHBondContact O-N 2.93Å; I341-L344 HydrophobicContact CB-CB 4.49Å; I341-L344 HydrophobicContact CB-CD1 3.94Å; I341-L344 HydrophobicContact CB-CG 4.04Å; I341-L344 HydrophobicContact CD1-CD1 4Å; I341-L344 HydrophobicContact CG1-CD1 4.46Å; I341-L344 HydrophobicContact CG2-CD1 4.4Å; I341-L344 HydrophobicContact CG2-CG 4.04Å; I341-L344 PolarHBondContact O-N 3.39Å
342M93.6Very high93.3Very high0 Ų044 Ų440%022%0.223CC..G310 helixtrans-61.9-39.2-174.2-175.517068.500112.7T280 L282 L285 R340 L344 S345 Y409 T413 T414T280-M342 WeakPolarHBondContact O-CB 3.35Å; T280-M342 PolarHBondContact O-N 3.03Å; L282-M342 HydrophobicContact CB-CB 4.23Å; L282-M342 HydrophobicContact CD1-CG 4.3Å; L285-M342 HydrophobicContact CD1-CE 4.45Å; L285-M342 HydrophobicContact CD1-SD 4.04Å; R340-M342 PolarHBondContact O-N 3.15Å; M342-L344 PolarHBondContact O-N 2.97Å; M342-S345 PolarHBondContact O-N 3.09Å; M342-S345 PolarHBondContact O-OG 3.13Å; M342-Y409 HydrophobicContact CE-CD1 4.15Å; M342-Y409 HydrophobicContact CE-CE1 3.33Å; M342-Y409 WeakPolarHBondContact CE-OH 3.33Å; M342-T413 HydrophobicContact CE-CG2 4.21Å; M342-T413 WeakPolarHBondContact CG-OG1 3.33Å; M342-T413 PolarHBondContact SD-OG1 3.43Å; M342-T414 HydrophobicContact CG-CG2 3.81Å
343I91.8Very high93.3Very high86 Ų8648.3 Ų48.344%0.44125%0.25SS..G310 helixtrans-67.1-23.8-178.5-65.2168.8000111.7I341 S345 Q346I341-I343 VanDerWaalsContact C-N 3.32Å; I341-I343 HydrophobicContact CG2-CB 4.38Å; I341-I343 PolarHBondContact O-N 2.93Å; I343-S345 VanDerWaalsContact C-N 3.28Å; I343-S345 PolarHBondContact O-N 2.93Å; I343-Q346 VanDerWaalsContact O-CG 3.31Å; I343-Q346 WeakPolarHBondContact O-CG 3.31Å
344L91Very high93.4Very high73 Ų7351.8 Ų51.838%0.38227%0.268SS..G310 helixtrans-73.7-22.2174.7-68.4178.9000112.4S339 I341 M342 T420 I423S339-L344 VanDerWaalsContact OG-CD1 3.31Å; S339-L344 WeakPolarHBondContact OG-CD1 3.19Å; I341-L344 HydrophobicContact CB-CB 4.49Å; I341-L344 HydrophobicContact CB-CD1 3.94Å; I341-L344 HydrophobicContact CB-CG 4.04Å; I341-L344 HydrophobicContact CD1-CD1 4Å; I341-L344 HydrophobicContact CG1-CD1 4.46Å; I341-L344 HydrophobicContact CG2-CD1 4.4Å; I341-L344 HydrophobicContact CG2-CG 4.04Å; I341-L344 PolarHBondContact O-N 3.39Å; M342-L344 PolarHBondContact O-N 2.97Å; L344-T420 WeakPolarHBondContact O-CG2 3.46Å; L344-T420 PolarHBondContact O-OG1 3.46Å; L344-I423 WeakPolarHBondContact O-CD1 3.47Å
345S87Confident93.5Very high6 Ų650.1 Ų50.14%0.04226%0.262CS..SBendtrans-104.455.2-176.859.20000112.1M342 I343 T414M342-S345 PolarHBondContact O-N 3.09Å; M342-S345 PolarHBondContact O-OG 3.13Å; I343-S345 VanDerWaalsContact C-N 3.28Å; I343-S345 PolarHBondContact O-N 2.93Å; S345-T414 CarbonylContact O-C 3.22Å; S345-T414 WeakPolarHBondContact O-CA 3Å
346Q91.6Very high93.6Very high57 Ų5748.7 Ų48.727%0.26626%0.256SS..  trans-90.6154.4-179.1-73.3173.6-6.500113.4I343 L348 T413 T420I343-Q346 VanDerWaalsContact O-CG 3.31Å; I343-Q346 WeakPolarHBondContact O-CG 3.31Å; Q346-L348 VanDerWaalsContact C-N 3.28Å; Q346-L348 PolarHBondContact O-N 3.18Å; Q346-T413 VanDerWaalsContact CG-O 3.26Å; Q346-T413 WeakPolarHBondContact CG-O 3.26Å; Q346-T420 HydrophobicContact CB-CG2 4.33Å
347G92.3Very high93.8Very high1 Ų152.5 Ų52.51%0.0127%0.273CS..  trans68.417.417000000116Q349 T350 T414 Q415 W416 G417 L419G347-Q349 PolarHBondContact O-N 2.88Å; G347-Q349 VanDerWaalsContact O-N 3.09Å; G347-T350 PolarHBondContact O-N 2.92Å; G347-T350 PolarHBondContact O-OG1 2.95Å; G347-T414 PolarHBondContact N-O 3.45Å; G347-Q415 CarbonylContact C-O 3.52Å; G347-Q415 VanDerWaalsContact C-O 3.23Å; G347-Q415 WeakPolarHBondContact CA-O 3.08Å; G347-W416 WeakPolarHBondContact CA-O 3.26Å; G347-W416 PolarHBondContact N-O 2.77Å; G347-G417 VanDerWaalsContact CA-O 3.26Å; G347-G417 WeakPolarHBondContact CA-O 3.21Å; G347-L419 WeakPolarHBondContact O-CD2 3.49Å
348L94.3Very high94Very high6 Ų652.5 Ų52.53%0.03127%0.27CS..G310 helixtrans-63.7-18.4-170.7-64-175.8000114.8Q346 T350 L351 L352 T414 Q415 M426Q346-L348 VanDerWaalsContact C-N 3.28Å; Q346-L348 PolarHBondContact O-N 3.18Å; L348-T350 PolarHBondContact O-N 3.01Å; L348-L351 PolarHBondContact O-N 3.17Å; L348-L351 VanDerWaalsContact O-N 3.17Å; L348-L352 PolarHBondContact O-N 3.19Å; L348-T414 WeakPolarHBondContact CB-O 3.22Å; L348-T414 WeakPolarHBondContact CG-O 3.48Å; L348-T414 PolarHBondContact N-O 3.39Å; L348-Q415 PolarHBondContact N-O 3.24Å; L348-M426 HydrophobicContact CD1-CE 4.46Å; L348-M426 HydrophobicContact CD2-CE 3.5Å; L348-M426 VanDerWaalsContact CD2-CE 3.5Å
349Q95.5Very high94.3Very high90 Ų9045.7 Ų45.742%0.42124%0.238SC..G310 helixtrans-59-34.6176.2-178.7177.7-6.900112.7G347 L351 A356 Q415G347-Q349 PolarHBondContact O-N 2.88Å; G347-Q349 VanDerWaalsContact O-N 3.09Å; Q349-L351 VanDerWaalsContact C-N 3.28Å; Q349-L351 PolarHBondContact O-N 3.31Å; Q349-A356 HydrophobicContact CB-CB 3.78Å; Q349-A356 HydrophobicContact CG-CB 3.83Å; Q349-Q415 HydrophobicContact CB-CB 4.36Å; Q349-Q415 VanDerWaalsContact CB-O 3.22Å; Q349-Q415 WeakPolarHBondContact CB-O 3.39Å; Q349-Q415 PolarHBondContact N-O 3.21Å
350T92.9Very high94.5Very high101 Ų10147.3 Ų47.362%0.6225%0.245SC*.G310 helixtrans-67.7-29.2-179.559.20000112.8G347 L348 L419G347-T350 PolarHBondContact O-N 2.92Å; G347-T350 PolarHBondContact O-OG1 2.95Å; L348-T350 PolarHBondContact O-N 3.01Å; T350-L419 WeakPolarHBondContact OG1-CD1 3.48Å; T350-L419 WeakPolarHBondContact OG1-CG 3.4Å
351L93.3Very high94.7Very high79 Ų7947.3 Ų47.341%0.41425%0.248SC..THydrogen-bonded Turntrans-96.5-36.7-179.9-63.1176000112.9L348 Q349 L419 M426L348-L351 PolarHBondContact O-N 3.17Å; L348-L351 VanDerWaalsContact O-N 3.17Å; Q349-L351 VanDerWaalsContact C-N 3.28Å; Q349-L351 PolarHBondContact O-N 3.31Å; L351-L419 HydrophobicContact CD1-CD1 3.99Å; L351-L419 HydrophobicContact CD1-CD2 3.49Å; L351-L419 VanDerWaalsContact CD1-CD2 3.49Å; L351-L419 HydrophobicContact CD1-CG 4.39Å; L351-L419 HydrophobicContact CD2-CD1 3.92Å; L351-L419 HydrophobicContact CG-CD1 3.79Å; L351-L419 HydrophobicContact CG-CD2 3.77Å; L351-L419 HydrophobicContact CG-CG 4.43Å; L351-M426 HydrophobicContact CD1-CB 3.83Å; L351-M426 HydrophobicContact CD1-CG 3.87Å
352L95.5Very high94.8Very high7 Ų743.9 Ų43.94%0.03723%0.23CC..  trans-130.367.7-169.5-60.4171000110.8L348 L354 M355 A356 M426L348-L352 PolarHBondContact O-N 3.19Å; L352-L354 PolarHBondContact O-N 3.31Å; L352-M355 HydrophobicContact CB-CB 3.83Å; L352-M355 PolarHBondContact O-N 2.91Å; L352-M355 VanDerWaalsContact O-N 3.08Å; L352-A356 PolarHBondContact O-N 3.46Å; L352-M426 HydrophobicContact CD1-CE 4.38Å
353P95.8Very high95Very high91 Ų9144 Ų4459%0.59123%0.231SC*.Hα-helixtrans-61.7-39.7-171.723.4-34.3000113.2A356 F357P353-A356 PolarHBondContact O-N 3.28Å; P353-F357 PolarHBondContact O-N 3.36Å
354L96.8Very high95.3Very high78 Ų7842 Ų4241%0.40822%0.221SC..Hα-helixtrans-67.7-36.5176.9-176.661.7000112L352 F357 W358 N434L352-L354 PolarHBondContact O-N 3.31Å; L354-F357 WeakPolarHBondContact O-CB 3.38Å; L354-F357 PolarHBondContact O-N 2.93Å; L354-W358 HydrophobicContact CD1-CZ2 4.41Å; L354-W358 PolarHBondContact O-N 3.46Å; L354-W358 VanDerWaalsContact O-N 3.13Å; L354-N434 HydrophobicContact CD2-CB 4.5Å; L354-N434 WeakPolarHBondContact CD2-ND2 3.43Å
355M96.9Very high95.5Very high1 Ų138.7 Ų38.71%0.00520%0.204CC..Hα-helixtrans-68.4-39174.8-169.661104.200111.2L329 S332 L352 F357 W358 W359 E433 M437L329-M355 HydrophobicContact CD2-CG 4.43Å; L329-M355 HydrophobicContact CD2-SD 3.44Å; L329-M355 WeakPolarHBondContact CD2-SD 3.36Å; S332-M355 WeakPolarHBondContact OG-CE 3.46Å; L352-M355 HydrophobicContact CB-CB 3.83Å; L352-M355 PolarHBondContact O-N 2.91Å; L352-M355 VanDerWaalsContact O-N 3.08Å; M355-F357 VanDerWaalsContact C-N 3.28Å; M355-F357 PolarHBondContact O-N 2.63Å; M355-W358 WeakPolarHBondContact O-CB 3.39Å; M355-W358 PolarHBondContact O-N 3Å; M355-W358 VanDerWaalsContact O-N 3.12Å; M355-W358 HydrophobicContact SD-CB 4.47Å; M355-W359 VanDerWaalsContact O-CD1 3.28Å; M355-W359 PolarHBondContact O-N 3.41Å; M355-E433 HydrophobicContact CE-CB 4.07Å; M355-M437 HydrophobicContact CE-CE 4.19Å; M355-M437 HydrophobicContact SD-CE 4.39Å; M355-M437 HydrophobicContact SD-CG 4.35Å
356A97.1Very high96Very high4 Ų438.5 Ų38.53%0.03320%0.203CC..Hα-helixtrans-62.3-36.1173.700000112Q349 L352 P353 W359 L360 Q415Q349-A356 HydrophobicContact CB-CB 3.78Å; Q349-A356 HydrophobicContact CG-CB 3.83Å; L352-A356 PolarHBondContact O-N 3.46Å; P353-A356 PolarHBondContact O-N 3.28Å; A356-W359 WeakPolarHBondContact O-CB 3.38Å; A356-W359 PolarHBondContact O-N 3.4Å; A356-L360 WeakPolarHBondContact O-CB 3.28Å; A356-L360 PolarHBondContact O-N 3.09Å; A356-Q415 HydrophobicContact CB-CB 4.47Å; A356-Q415 HydrophobicContact CB-CG 4.34Å
357F97.2Very high96.3Very high102 Ų10237.1 Ų37.145%0.44720%0.197SC..Hα-helixtrans-61.6-42.7171179.2-104.6000112.1P353 L354 M355 L360 L361P353-F357 PolarHBondContact O-N 3.36Å; L354-F357 WeakPolarHBondContact O-CB 3.38Å; L354-F357 PolarHBondContact O-N 2.93Å; M355-F357 VanDerWaalsContact C-N 3.28Å; M355-F357 PolarHBondContact O-N 2.63Å; F357-L360 WeakPolarHBondContact O-CB 3.36Å; F357-L360 PolarHBondContact O-N 2.59Å; F357-L361 HydrophobicContact CD1-CD1 4.09Å; F357-L361 HydrophobicContact CE1-CD1 3.43Å; F357-L361 VanDerWaalsContact CE1-CD1 3.43Å; F357-L361 HydrophobicContact CE1-CG 4.17Å; F357-L361 HydrophobicContact CE2-CD1 4.41Å; F357-L361 HydrophobicContact CE2-CG 4.38Å; F357-L361 HydrophobicContact CZ-CD1 3.63Å; F357-L361 HydrophobicContact CZ-CD2 4.32Å; F357-L361 HydrophobicContact CZ-CG 4.06Å; F357-L361 PolarHBondContact O-N 3.37Å
358W97.9Very high96.5Very high28 Ų2837.2 Ų37.211%0.10620%0.198CC..Hα-helixtrans-63.2-41.7173.3-59.6131.4000112.7L329 L354 M355 L360 L361 A362 N434 M437 F438 L441L329-W358 HydrophobicContact CD2-CB 4.06Å; L354-W358 HydrophobicContact CD1-CZ2 4.41Å; L354-W358 PolarHBondContact O-N 3.46Å; L354-W358 VanDerWaalsContact O-N 3.13Å; M355-W358 WeakPolarHBondContact O-CB 3.39Å; M355-W358 PolarHBondContact O-N 3Å; M355-W358 VanDerWaalsContact O-N 3.12Å; M355-W358 HydrophobicContact SD-CB 4.47Å; W358-L360 VanDerWaalsContact C-N 3.32Å; W358-L360 PolarHBondContact O-N 3.24Å; W358-L361 HydrophobicContact CE3-CD1 4.1Å; W358-L361 HydrophobicContact CZ3-CD1 4.17Å; W358-L361 PolarHBondContact O-N 3.17Å; W358-A362 WeakPolarHBondContact O-CB 3.17Å; W358-A362 PolarHBondContact O-N 3.36Å; W358-N434 PolarHBondContact NE1-OD1 2.7Å; W358-M437 HydrophobicContact CB-CB 4.08Å; W358-M437 HydrophobicContact CB-CG 4.09Å; W358-M437 HydrophobicContact CD2-CB 3.75Å; W358-M437 HydrophobicContact CE3-CB 4.31Å; W358-M437 HydrophobicContact CG-CB 3.64Å; W358-M437 HydrophobicContact CG-CG 3.93Å; W358-F438 HydrophobicContact CH2-CB 4.09Å; W358-F438 HydrophobicContact CH2-CD2 4.08Å; W358-F438 HydrophobicContact CZ2-CB 4.33Å; W358-L441 HydrophobicContact CD2-CD1 4.3Å; W358-L441 HydrophobicContact CE3-CD1 3.18Å; W358-L441 HydrophobicContact CZ3-CD1 3.44Å; W358-L441 VanDerWaalsContact CZ3-CD1 3.44Å
359W97.8Very high96.5Very high1 Ų140.3 Ų40.30%0.00421%0.214CC..Hα-helixtrans-58.4-42.1172.7-87.6103.5000112.5L282 L326 L329 N333 M355 A356 A362 S363 M410 F411 Q415L282-W359 HydrophobicContact CD1-CH2 3.81Å; L282-W359 HydrophobicContact CD1-CZ2 4.37Å; L282-W359 HydrophobicContact CD2-CH2 4.03Å; L282-W359 HydrophobicContact CG-CH2 4.4Å; L326-W359 HydrophobicContact CD2-CZ3 4.37Å; L329-W359 HydrophobicContact CB-CD2 4.05Å; L329-W359 HydrophobicContact CB-CE3 4.38Å; L329-W359 HydrophobicContact CB-CH2 3.84Å; L329-W359 HydrophobicContact CB-CZ2 3.49Å; L329-W359 VanDerWaalsContact CB-CZ2 3.49Å; L329-W359 HydrophobicContact CB-CZ3 4.27Å; L329-W359 HydrophobicContact CD1-CB 4.47Å; L329-W359 HydrophobicContact CD1-CD2 3.77Å; L329-W359 HydrophobicContact CD1-CE3 3.93Å; L329-W359 HydrophobicContact CD1-CG 4Å; L329-W359 HydrophobicContact CD1-CZ3 4.41Å; L329-W359 HydrophobicContact CD2-CD2 4.42Å; L329-W359 HydrophobicContact CD2-CG 4.23Å; L329-W359 HydrophobicContact CG-CD2 4.33Å; N333-W359 WeakPolarHBondContact ND2-CZ2 3.08Å; M355-W359 VanDerWaalsContact O-CD1 3.28Å; M355-W359 PolarHBondContact O-N 3.41Å; A356-W359 WeakPolarHBondContact O-CB 3.38Å; A356-W359 PolarHBondContact O-N 3.4Å; W359-A362 WeakPolarHBondContact O-CB 3.47Å; W359-A362 PolarHBondContact O-N 2.88Å; W359-S363 WeakPolarHBondContact O-CB 3.22Å; W359-S363 PolarHBondContact O-N 3.04Å; W359-S363 PolarHBondContact O-OG 2.94Å; W359-M410 HydrophobicContact CZ3-CG 4.2Å; W359-M410 HydrophobicContact CZ3-SD 3.69Å; W359-F411 HydrophobicContact CB-CD2 4.01Å; W359-F411 HydrophobicContact CB-CE2 4.09Å; W359-Q415 HydrophobicContact CB-CG 3.78Å; W359-Q415 VanDerWaalsContact CD1-CD 3.45Å; W359-Q415 HydrophobicContact CG-CG 3.97Å
360L97.8Very high96.5Very high63 Ų6340 Ų4033%0.3322%0.22SC..Hα-helixtrans-60.8-55.4176.6-176.7112.9000110A356 F357 W358 A362 S363 L364 F411A356-L360 WeakPolarHBondContact O-CB 3.28Å; A356-L360 PolarHBondContact O-N 3.09Å; F357-L360 WeakPolarHBondContact O-CB 3.36Å; F357-L360 PolarHBondContact O-N 2.59Å; W358-L360 VanDerWaalsContact C-N 3.32Å; W358-L360 PolarHBondContact O-N 3.24Å; L360-A362 VanDerWaalsContact C-N 3.27Å; L360-A362 PolarHBondContact O-N 3.13Å; L360-S363 PolarHBondContact O-N 2.86Å; L360-S363 VanDerWaalsContact O-N 3.09Å; L360-S363 PolarHBondContact O-OG 3.12Å; L360-L364 HydrophobicContact CD2-CD1 3.77Å; L360-L364 HydrophobicContact CG-CD1 3.99Å; L360-L364 HydrophobicContact CG-CG 4.39Å; L360-L364 VanDerWaalsContact O-CG 3.3Å; L360-L364 WeakPolarHBondContact O-CG 3.47Å; L360-L364 PolarHBondContact O-N 3.34Å; L360-F411 HydrophobicContact CB-CD2 4.45Å; L360-F411 HydrophobicContact CB-CE2 3.7Å; L360-F411 HydrophobicContact CB-CZ 4.03Å; L360-F411 HydrophobicContact CD1-CE1 4.04Å; L360-F411 HydrophobicContact CD1-CE2 4.18Å; L360-F411 HydrophobicContact CD1-CZ 3.66Å; L360-F411 HydrophobicContact CG-CE2 4.49Å; L360-F411 HydrophobicContact CG-CZ 4.44Å
361L97.4Very high96.5Very high46 Ų4640.1 Ų40.124%0.24122%0.222CC..Hα-helixtrans-57.9-39.2179-68.1-178.9000112.6F357 W358 A365 L441F357-L361 HydrophobicContact CD1-CD1 4.09Å; F357-L361 HydrophobicContact CE1-CD1 3.43Å; F357-L361 VanDerWaalsContact CE1-CD1 3.43Å; F357-L361 HydrophobicContact CE1-CG 4.17Å; F357-L361 HydrophobicContact CE2-CD1 4.41Å; F357-L361 HydrophobicContact CE2-CG 4.38Å; F357-L361 HydrophobicContact CZ-CD1 3.63Å; F357-L361 HydrophobicContact CZ-CD2 4.32Å; F357-L361 HydrophobicContact CZ-CG 4.06Å; F357-L361 PolarHBondContact O-N 3.37Å; W358-L361 HydrophobicContact CE3-CD1 4.1Å; W358-L361 HydrophobicContact CZ3-CD1 4.17Å; W358-L361 PolarHBondContact O-N 3.17Å; L361-A365 WeakPolarHBondContact O-CB 3.49Å; L361-A365 PolarHBondContact O-N 2.67Å; L361-L441 HydrophobicContact CB-CD1 4.02Å; L361-L441 HydrophobicContact CB-CD2 4.11Å; L361-L441 HydrophobicContact CD1-CD1 3.83Å
362A97.6Very high96.5Very high1 Ų137.3 Ų37.31%0.00821%0.208CC..Hα-helixtrans-60.3-48.1174.500000112.8L325 L326 L329 W358 W359 L360 A365 N366L325-A362 HydrophobicContact CD2-CB 3.08Å; L326-A362 HydrophobicContact CD2-CB 3.67Å; L326-A362 HydrophobicContact CG-CB 4.39Å; L329-A362 HydrophobicContact CD1-CB 3.54Å; W358-A362 WeakPolarHBondContact O-CB 3.17Å; W358-A362 PolarHBondContact O-N 3.36Å; W359-A362 WeakPolarHBondContact O-CB 3.47Å; W359-A362 PolarHBondContact O-N 2.88Å; L360-A362 VanDerWaalsContact C-N 3.27Å; L360-A362 PolarHBondContact O-N 3.13Å; A362-A365 PolarHBondContact O-N 3.28Å; A362-N366 WeakPolarHBondContact O-CB 3.46Å; A362-N366 PolarHBondContact O-N 2.74Å
363S97.7Very high96.6Very high2 Ų237 Ų371%0.01421%0.207CC..Hα-helixtrans-65.8-41.3-178.967.30000111.3W359 L360 N366 L367W359-S363 WeakPolarHBondContact O-CB 3.22Å; W359-S363 PolarHBondContact O-N 3.04Å; W359-S363 PolarHBondContact O-OG 2.94Å; L360-S363 PolarHBondContact O-N 2.86Å; L360-S363 VanDerWaalsContact O-N 3.09Å; L360-S363 PolarHBondContact O-OG 3.12Å; S363-N366 PolarHBondContact O-N 3.35Å; S363-L367 WeakPolarHBondContact O-CG 3.47Å; S363-L367 PolarHBondContact O-N 2.96Å
364L97.4Very high96.6Very high44 Ų4432.8 Ų32.823%0.2318%0.18CC..Hα-helixtrans-63.6-40.8174.9-66.6176.4000112L360 L367 A368 L369L360-L364 HydrophobicContact CD2-CD1 3.77Å; L360-L364 HydrophobicContact CG-CD1 3.99Å; L360-L364 HydrophobicContact CG-CG 4.39Å; L360-L364 VanDerWaalsContact O-CG 3.3Å; L360-L364 WeakPolarHBondContact O-CG 3.47Å; L360-L364 PolarHBondContact O-N 3.34Å; L364-L367 HydrophobicContact CD2-CD2 4.34Å; L364-L367 WeakPolarHBondContact O-CD1 3.01Å; L364-L367 WeakPolarHBondContact O-CG 3.45Å; L364-A368 PolarHBondContact O-N 3.1Å; L364-L369 HydrophobicContact CB-CB 4.28Å; L364-L369 HydrophobicContact CB-CD2 4.39Å; L364-L369 HydrophobicContact CD1-CD2 4.41Å; L364-L369 HydrophobicContact CD2-CD1 4.3Å; L364-L369 WeakPolarHBondContact O-CB 3.06Å; L364-L369 PolarHBondContact O-N 3.38Å
365A96.7Very high96.6Very high4 Ų430.4 Ų30.43%0.03317%0.167CC..Hα-helixtrans-66.8-38174.400000111.6T322 L361 A362 A368 N374T322-A365 HydrophobicContact CG2-CB 3.57Å; L361-A365 WeakPolarHBondContact O-CB 3.49Å; L361-A365 PolarHBondContact O-N 2.67Å; A362-A365 PolarHBondContact O-N 3.28Å; A365-A368 PolarHBondContact O-N 2.63Å; A365-N374 WeakPolarHBondContact O-CB 3.27Å; A365-N374 PolarHBondContact O-ND2 2.97Å
366N97.5Very high96.5Very high2 Ų233.6 Ų33.61%0.01118%0.184CC..Hα-helixtrans-70.2-30.4180-169.524.7000114.2H293 L326 A362 S363H293-N366 PolarHBondContact NE2-O 3.19Å; H293-N366 PolarHBondContact NE2-OD1 3.42Å; L326-N366 HydrophobicContact CD1-CB 4.11Å; A362-N366 WeakPolarHBondContact O-CB 3.46Å; A362-N366 PolarHBondContact O-N 2.74Å; S363-N366 PolarHBondContact O-N 3.35Å
367L96.2Very high96.5Very high29 Ų2933.4 Ų33.415%0.15218%0.182CC..THydrogen-bonded Turntrans-86.38.1171.263.181.7000113.7S363 L364 L369 S407 L408S363-L367 WeakPolarHBondContact O-CG 3.47Å; S363-L367 PolarHBondContact O-N 2.96Å; L364-L367 HydrophobicContact CD2-CD2 4.34Å; L364-L367 WeakPolarHBondContact O-CD1 3.01Å; L364-L367 WeakPolarHBondContact O-CG 3.45Å; L367-L369 HydrophobicContact CD1-CB 4.13Å; L367-L369 HydrophobicContact CD1-CD1 4.36Å; L367-S407 WeakPolarHBondContact CB-OG 3.36Å; L367-L408 HydrophobicContact CD2-CD2 4.08Å; L367-L408 HydrophobicContact CD2-CG 4.17Å
368A96.5Very high96.4Very high3 Ų328.9 Ų28.93%0.02516%0.162CC..THydrogen-bonded Turntrans57.560.1-179.400000114.2L364 A365 N374 L375 E378 M400L364-A368 PolarHBondContact O-N 3.1Å; A365-A368 PolarHBondContact O-N 2.63Å; A368-N374 HydrophobicContact CB-CB 4.03Å; A368-L375 HydrophobicContact CB-CB 4.05Å; A368-L375 HydrophobicContact CB-CD1 4.2Å; A368-L375 WeakPolarHBondContact O-CB 3.44Å; A368-L375 VanDerWaalsContact O-CD1 3.25Å; A368-L375 WeakPolarHBondContact O-CD1 3.2Å; A368-E378 VanDerWaalsContact CB-CD 3.46Å; A368-E378 HydrophobicContact CB-CG 4.46Å; A368-E378 WeakPolarHBondContact CB-OE2 3.48Å; A368-M400 HydrophobicContact CB-CE 4.37Å
369L96Very high96.3Very high71 Ų7131.5 Ų31.537%0.37218%0.178SC..  trans-65.4137173.9-169.185.8000111.7L364 L367 T372L364-L369 HydrophobicContact CB-CB 4.28Å; L364-L369 HydrophobicContact CB-CD2 4.39Å; L364-L369 HydrophobicContact CD1-CD2 4.41Å; L364-L369 HydrophobicContact CD2-CD1 4.3Å; L364-L369 WeakPolarHBondContact O-CB 3.06Å; L364-L369 PolarHBondContact O-N 3.38Å; L367-L369 HydrophobicContact CD1-CB 4.13Å; L367-L369 HydrophobicContact CD1-CD1 4.36Å; L369-T372 VanDerWaalsContact O-CB 3.28Å; L369-T372 WeakPolarHBondContact O-CB 3.24Å; L369-T372 VanDerWaalsContact O-CG2 3.31Å; L369-T372 WeakPolarHBondContact O-CG2 3.02Å; L369-T372 PolarHBondContact O-N 2.82Å; L369-T372 PolarHBondContact O-OG1 3.02Å
370P93.9Very high96.2Very high84 Ų8432 Ų3255%0.54518%0.182SC..THydrogen-bonded Turntrans-65.5139166.723.8-30.7000111.1L375P370-L375 VanDerWaalsContact CA-CD2 3.48Å; P370-L375 HydrophobicContact CB-CD2 3.46Å; P370-L375 VanDerWaalsContact CB-CD2 3.46Å; P370-L375 HydrophobicContact CG-CD2 4.16Å
371P92.9Very high96.2Very high102 Ų10229 Ų2966%0.66217%0.166SC*.THydrogen-bonded Turncis-99.934.72.739.5-36.2000114
372T95Very high96.2Very high20 Ų2028.6 Ų28.612%0.12316%0.164CC..SBendtrans-68.2154.1-175.668.10000113L369 N374 L375 L376L369-T372 VanDerWaalsContact O-CB 3.28Å; L369-T372 WeakPolarHBondContact O-CB 3.24Å; L369-T372 VanDerWaalsContact O-CG2 3.31Å; L369-T372 WeakPolarHBondContact O-CG2 3.02Å; L369-T372 PolarHBondContact O-N 2.82Å; L369-T372 PolarHBondContact O-OG1 3.02Å; T372-N374 PolarHBondContact O-N 2.74Å; T372-L375 WeakPolarHBondContact O-CB 3.44Å; T372-L375 PolarHBondContact O-N 2.94Å; T372-L376 PolarHBondContact O-N 3.2Å
373I95.8Very high96.1Very high0 Ų032.3 Ų32.30%019%0.186CC..Hα-helixtrans-60.1-25.5175.851.6166.5000113.7I314 A318 L375 L376 G377 I444 L447 I454I314-I373 HydrophobicContact CG2-CB 4.33Å; I314-I373 WeakPolarHBondContact CG2-O 3.4Å; A318-I373 HydrophobicContact CB-CB 4.13Å; A318-I373 HydrophobicContact CB-CD1 3.63Å; A318-I373 HydrophobicContact CB-CG1 3.62Å; I373-L375 VanDerWaalsContact C-N 3.33Å; I373-L376 HydrophobicContact CG2-CD1 4.44Å; I373-L376 PolarHBondContact O-N 3.5Å; I373-G377 PolarHBondContact O-N 2.77Å; I373-I444 HydrophobicContact CD1-CG2 4.42Å; I373-I444 HydrophobicContact CG1-CG2 4.09Å; I373-L447 HydrophobicContact CD1-CB 4.14Å; I373-L447 HydrophobicContact CD1-CD1 4.05Å; I373-L447 HydrophobicContact CG2-CB 3.94Å; I373-I454 HydrophobicContact CB-CD1 4.23Å; I373-I454 HydrophobicContact CD1-CD1 4.4Å; I373-I454 HydrophobicContact CG2-CD1 3.86Å
374N96.8Very high96.1Very high4 Ų432.4 Ų32.42%0.02119%0.187CC..Hα-helixtrans-62-44.7174-61-69.1000110.3A318 H319 T322 A365 A368 T372 G377 E378A318-N374 HydrophobicContact CB-CB 4.31Å; A318-N374 WeakPolarHBondContact CB-OD1 3.32Å; A318-N374 PolarHBondContact O-OD1 3.33Å; H319-N374 PolarHBondContact N-OD1 3.13Å; T322-N374 WeakPolarHBondContact CG2-ND2 3.41Å; A365-N374 WeakPolarHBondContact O-CB 3.27Å; A365-N374 PolarHBondContact O-ND2 2.97Å; A368-N374 HydrophobicContact CB-CB 4.03Å; T372-N374 PolarHBondContact O-N 2.74Å; N374-G377 PolarHBondContact O-N 3.33Å; N374-E378 WeakPolarHBondContact O-CB 3.45Å; N374-E378 WeakPolarHBondContact O-CG 3.49Å; N374-E378 PolarHBondContact O-N 2.66Å
375L96.4Very high96Very high27 Ų2730.4 Ų30.414%0.14118%0.176CC..Hα-helixtrans-65.2-41.4176.7-174.373.3000111.9A368 P370 T372 I373 G377 E378 L379A368-L375 HydrophobicContact CB-CB 4.05Å; A368-L375 HydrophobicContact CB-CD1 4.2Å; A368-L375 WeakPolarHBondContact O-CB 3.44Å; A368-L375 VanDerWaalsContact O-CD1 3.25Å; A368-L375 WeakPolarHBondContact O-CD1 3.2Å; P370-L375 VanDerWaalsContact CA-CD2 3.48Å; P370-L375 HydrophobicContact CB-CD2 3.46Å; P370-L375 VanDerWaalsContact CB-CD2 3.46Å; P370-L375 HydrophobicContact CG-CD2 4.16Å; T372-L375 WeakPolarHBondContact O-CB 3.44Å; T372-L375 PolarHBondContact O-N 2.94Å; I373-L375 VanDerWaalsContact C-N 3.33Å; L375-G377 VanDerWaalsContact C-N 3.28Å; L375-G377 PolarHBondContact O-N 3.49Å; L375-E378 PolarHBondContact O-N 2.98Å; L375-L379 HydrophobicContact CD1-CD1 3.93Å; L375-L379 HydrophobicContact CD1-CG 3.83Å; L375-L379 HydrophobicContact CD2-CD1 3.84Å; L375-L379 HydrophobicContact CG-CD1 3.6Å; L375-L379 HydrophobicContact CG-CG 3.92Å; L375-L379 VanDerWaalsContact O-CB 3.26Å; L375-L379 WeakPolarHBondContact O-CB 3.44Å; L375-L379 WeakPolarHBondContact O-CG 3.31Å; L375-L379 PolarHBondContact O-N 3.21Å
376L95.4Very high96Very high68 Ų6834.3 Ų34.336%0.35619%0.193SC..Hα-helixtrans-58.2-43.2177.4-68.7175.7000111.5I314 T372 I373 S380 P451I314-L376 HydrophobicContact CG2-CB 4.23Å; T372-L376 PolarHBondContact O-N 3.2Å; I373-L376 HydrophobicContact CG2-CD1 4.44Å; I373-L376 PolarHBondContact O-N 3.5Å; L376-S380 WeakPolarHBondContact O-CB 3.35Å; L376-S380 PolarHBondContact O-N 3.06Å; L376-S380 PolarHBondContact O-OG 3.33Å; L376-P451 HydrophobicContact CD1-CB 3.68Å; L376-P451 HydrophobicContact CD1-CG 4.02Å
377G96Very high96Very high0 Ų038.2 Ų38.20%022%0.22CC..Hα-helixtrans-65.8-48.9174.300000112.7I373 N374 L375 S380 V381I373-G377 PolarHBondContact O-N 2.77Å; N374-G377 PolarHBondContact O-N 3.33Å; L375-G377 VanDerWaalsContact C-N 3.28Å; L375-G377 PolarHBondContact O-N 3.49Å; G377-S380 PolarHBondContact O-N 3.13Å; G377-S380 PolarHBondContact O-OG 2.91Å; G377-V381 VanDerWaalsContact O-CG2 3.3Å; G377-V381 WeakPolarHBondContact O-CG2 3.08Å; G377-V381 PolarHBondContact O-N 3.24Å; G377-V381 VanDerWaalsContact O-N 3.12Å
378E96.3Very high96Very high7 Ų741.2 Ų41.23%0.03323%0.23CC..Hα-helixtrans-65.9-41.3-178.4-73.6177.8-158.600112.9H293 L296 L315 A368 N374 L375 V381 L382 M400H293-E378 IonicContact CE1-OE1 3.11Å; H293-E378 PolarHBondContact CE1-OE1 2.93Å; H293-E378 IonicContact ND1-OE1 3.98Å; H293-E378 PolarHBondContact ND1-OE1 2.97Å; L296-E378 HydrophobicContact CD1-CG 4.26Å; L315-E378 HydrophobicContact CD1-CG 3.73Å; L315-E378 HydrophobicContact CG-CG 4.4Å; A368-E378 VanDerWaalsContact CB-CD 3.46Å; A368-E378 HydrophobicContact CB-CG 4.46Å; A368-E378 WeakPolarHBondContact CB-OE2 3.48Å; N374-E378 WeakPolarHBondContact O-CB 3.45Å; N374-E378 WeakPolarHBondContact O-CG 3.49Å; N374-E378 PolarHBondContact O-N 2.66Å; L375-E378 PolarHBondContact O-N 2.98Å; E378-V381 PolarHBondContact O-N 3.21Å; E378-L382 WeakPolarHBondContact O-CB 3.26Å; E378-L382 PolarHBondContact O-N 3.08Å; E378-M400 HydrophobicContact CB-SD 4.47Å; E378-M400 WeakPolarHBondContact OE2-CE 3.4Å
379L96.2Very high96Very high83 Ų8343 Ų4344%0.43524%0.241SC..Hα-helixtrans-64.8-42.3177-82.4174.8000112.3L375 V381 L382 V383L375-L379 HydrophobicContact CD1-CD1 3.93Å; L375-L379 HydrophobicContact CD1-CG 3.83Å; L375-L379 HydrophobicContact CD2-CD1 3.84Å; L375-L379 HydrophobicContact CG-CD1 3.6Å; L375-L379 HydrophobicContact CG-CG 3.92Å; L375-L379 VanDerWaalsContact O-CB 3.26Å; L375-L379 WeakPolarHBondContact O-CB 3.44Å; L375-L379 WeakPolarHBondContact O-CG 3.31Å; L375-L379 PolarHBondContact O-N 3.21Å; L379-V381 VanDerWaalsContact C-N 3.35Å; L379-L382 PolarHBondContact O-N 3.41Å; L379-V383 WeakPolarHBondContact O-CG2 3.34Å; L379-V383 PolarHBondContact O-N 2.88Å
380S95.8Very high96Very high12 Ų1245 Ų458%0.08425%0.253CS..Hα-helixtrans-65.8-38.4177.945.90000111.7G311 L376 G377 T384G311-S380 WeakPolarHBondContact CA-OG 3.34Å; L376-S380 WeakPolarHBondContact O-CB 3.35Å; L376-S380 PolarHBondContact O-N 3.06Å; L376-S380 PolarHBondContact O-OG 3.33Å; G377-S380 PolarHBondContact O-N 3.13Å; G377-S380 PolarHBondContact O-OG 2.91Å; S380-T384 WeakPolarHBondContact O-CB 3.4Å; S380-T384 VanDerWaalsContact O-CG2 3.24Å; S380-T384 WeakPolarHBondContact O-CG2 3.13Å; S380-T384 PolarHBondContact O-N 3.13Å; S380-T384 VanDerWaalsContact O-N 3.12Å; S380-T384 PolarHBondContact O-OG1 3.31Å
381V96.6Very high96.1Very high0 Ų047.4 Ų47.40%026%0.26CS..Hα-helixtrans-64.2-40.4170.2178.50000111.3L296 A300 L315 G377 E378 L379 T384 T385L296-V381 HydrophobicContact CB-CG1 4.27Å; L296-V381 HydrophobicContact CD2-CG1 4.1Å; A300-V381 HydrophobicContact CB-CB 4.43Å; A300-V381 HydrophobicContact CB-CG1 3.99Å; A300-V381 HydrophobicContact CB-CG2 3.75Å; L315-V381 HydrophobicContact CD1-CG2 4.49Å; G377-V381 VanDerWaalsContact O-CG2 3.3Å; G377-V381 WeakPolarHBondContact O-CG2 3.08Å; G377-V381 PolarHBondContact O-N 3.24Å; G377-V381 VanDerWaalsContact O-N 3.12Å; E378-V381 PolarHBondContact O-N 3.21Å; L379-V381 VanDerWaalsContact C-N 3.35Å; V381-T384 WeakPolarHBondContact CA-OG1 3.37Å; V381-T384 PolarHBondContact O-N 2.82Å; V381-T384 PolarHBondContact O-OG1 3.12Å; V381-T385 HydrophobicContact CG1-CG2 4.18Å; V381-T385 WeakPolarHBondContact O-CB 2.95Å; V381-T385 VanDerWaalsContact O-CG2 3.28Å; V381-T385 WeakPolarHBondContact O-CG2 3.32Å; V381-T385 PolarHBondContact O-N 3.29Å; V381-T385 PolarHBondContact O-OG1 3.22Å
382L96.7Very high96.2Very high38 Ų3842.8 Ų42.820%0.19923%0.229CC..Hα-helixtrans-64.4-45177.9-172.5155.2000112.1E378 L379 T384 T385 F386 L393E378-L382 WeakPolarHBondContact O-CB 3.26Å; E378-L382 PolarHBondContact O-N 3.08Å; L379-L382 PolarHBondContact O-N 3.41Å; L382-T384 VanDerWaalsContact C-N 3.32Å; L382-T384 PolarHBondContact O-N 3.27Å; L382-T385 WeakPolarHBondContact CA-OG1 3.47Å; L382-T385 PolarHBondContact O-N 3.4Å; L382-T385 PolarHBondContact O-OG1 2.93Å; L382-F386 WeakPolarHBondContact O-CB 3.44Å; L382-F386 PolarHBondContact O-N 3.35Å; L382-L393 HydrophobicContact CD2-CD1 3.64Å; L382-L393 HydrophobicContact CG-CD1 4.22Å
383V96.9Very high96.3Very high79 Ų7945.2 Ų45.248%0.47924%0.242SC..Hα-helixtrans-63.1-39.8178.1171.30000111.3L379 S387L379-V383 WeakPolarHBondContact O-CG2 3.34Å; L379-V383 PolarHBondContact O-N 2.88Å; V383-S387 PolarHBondContact O-N 3.01Å
384T96.5Very high96.3Very high4 Ų450.9 Ų50.93%0.02527%0.271CS..Hα-helixtrans-76.8-33.5-179.254.70000113.7T305 W307 S308 S380 V381 L382 S387 W388T305-T384 WeakPolarHBondContact OG1-CG2 3.29Å; W307-T384 VanDerWaalsContact C-CG2 3.49Å; W307-T384 HydrophobicContact CB-CG2 3.29Å; S308-T384 WeakPolarHBondContact CB-OG1 3.48Å; S308-T384 VanDerWaalsContact N-CG2 3.3Å; S380-T384 WeakPolarHBondContact O-CB 3.4Å; S380-T384 VanDerWaalsContact O-CG2 3.24Å; S380-T384 WeakPolarHBondContact O-CG2 3.13Å; S380-T384 PolarHBondContact O-N 3.13Å; S380-T384 VanDerWaalsContact O-N 3.12Å; S380-T384 PolarHBondContact O-OG1 3.31Å; V381-T384 WeakPolarHBondContact CA-OG1 3.37Å; V381-T384 PolarHBondContact O-N 2.82Å; V381-T384 PolarHBondContact O-OG1 3.12Å; L382-T384 VanDerWaalsContact C-N 3.32Å; L382-T384 PolarHBondContact O-N 3.27Å; T384-S387 PolarHBondContact O-OG 3.15Å; T384-W388 WeakPolarHBondContact O-CB 3.41Å; T384-W388 PolarHBondContact O-N 2.88Å
385T96.7Very high96.3Very high1 Ų152.6 Ų52.61%0.00628%0.28CS..Hα-helixtrans-67.6-40.5170.749.40000110.9I303 V381 L382 S387 W388 S389 T392I303-T385 HydrophobicContact CD1-CG2 3.58Å; V381-T385 HydrophobicContact CG1-CG2 4.18Å; V381-T385 WeakPolarHBondContact O-CB 2.95Å; V381-T385 VanDerWaalsContact O-CG2 3.28Å; V381-T385 WeakPolarHBondContact O-CG2 3.32Å; V381-T385 PolarHBondContact O-N 3.29Å; V381-T385 PolarHBondContact O-OG1 3.22Å; L382-T385 WeakPolarHBondContact CA-OG1 3.47Å; L382-T385 PolarHBondContact O-N 3.4Å; L382-T385 PolarHBondContact O-OG1 2.93Å; T385-S387 PolarHBondContact O-N 3.26Å; T385-W388 WeakPolarHBondContact O-CB 3.25Å; T385-W388 PolarHBondContact O-N 3.42Å; T385-S389 PolarHBondContact O-N 3.32Å; T385-T392 PolarHBondContact O-OG1 3.46Å
386F97.1Very high96.3Very high87 Ų8751.5 Ų51.538%0.38227%0.274SS..Hα-helixtrans-60.1-44173.8178.4-112.1000112.2L382 W388 S389 N390 T392 L393L382-F386 WeakPolarHBondContact O-CB 3.44Å; L382-F386 PolarHBondContact O-N 3.35Å; F386-W388 VanDerWaalsContact C-N 3.3Å; F386-W388 PolarHBondContact O-N 3.39Å; F386-S389 CarbonylContact O-C 3.43Å; F386-S389 VanDerWaalsContact O-C 3.22Å; F386-S389 PolarHBondContact O-N 3.49Å; F386-N390 HydrophobicContact CD2-CB 4.45Å; F386-N390 HydrophobicContact CE2-CB 4.03Å; F386-N390 PolarHBondContact O-N 2.99Å; F386-N390 PolarHBondContact O-OD1 2.99Å; F386-T392 PolarHBondContact N-OG1 2.99Å; F386-L393 HydrophobicContact CD2-CB 3.89Å; F386-L393 HydrophobicContact CD2-CD2 4.06Å; F386-L393 HydrophobicContact CD2-CG 4.42Å; F386-L393 HydrophobicContact CE2-CB 4.49Å; F386-L393 HydrophobicContact CE2-CD2 4.04Å
387S97.1Very high96.3Very high84 Ų8449.9 Ų49.959%0.58727%0.274SS*.Hα-helixtrans-67.9-28.8176.4710000113.2V383 T384 T385V383-S387 PolarHBondContact O-N 3.01Å; T384-S387 PolarHBondContact O-OG 3.15Å; T385-S387 PolarHBondContact O-N 3.26Å
388W96Very high96.3Very high92 Ų9253.7 Ų53.735%0.34829%0.294SS..Hα-helixtrans-70.7-48173.5178.580.6000112.2Y259 L262 I303 T384 T385 F386 T392Y259-W388 HydrophobicContact CD1-CH2 4.25Å; Y259-W388 AromaticContact CD1-CZ2 3.94Å; Y259-W388 HydrophobicContact CD1-CZ2 3.94Å; Y259-W388 HydrophobicContact CE1-CH2 4.12Å; Y259-W388 AromaticContact CE1-CZ2 3.55Å; Y259-W388 HydrophobicContact CE1-CZ2 3.55Å; L262-W388 HydrophobicContact CD1-CH2 4.03Å; L262-W388 HydrophobicContact CD1-CZ2 3.62Å; I303-W388 HydrophobicContact CD1-CB 3.96Å; I303-W388 HydrophobicContact CD1-CD2 4.41Å; I303-W388 HydrophobicContact CD1-CG 4.08Å; I303-W388 HydrophobicContact CG1-CB 4.24Å; I303-W388 HydrophobicContact CG1-CD2 4.36Å; I303-W388 HydrophobicContact CG1-CG 3.96Å; I303-W388 HydrophobicContact CG2-CB 4.07Å; I303-W388 HydrophobicContact CG2-CG 4.3Å; T384-W388 WeakPolarHBondContact O-CB 3.41Å; T384-W388 PolarHBondContact O-N 2.88Å; T385-W388 WeakPolarHBondContact O-CB 3.25Å; T385-W388 PolarHBondContact O-N 3.42Å; F386-W388 VanDerWaalsContact C-N 3.3Å; F386-W388 PolarHBondContact O-N 3.39Å; W388-T392 HydrophobicContact CE3-CG2 3.72Å; W388-T392 HydrophobicContact CZ3-CG2 3.77Å
389S95.9Very high96.4Very high39 Ų3953.4 Ų53.427%0.27329%0.293SS..  trans-156.2134.1164.265.90000112.5T385 F386 I391 T392T385-S389 PolarHBondContact O-N 3.32Å; F386-S389 CarbonylContact O-C 3.43Å; F386-S389 VanDerWaalsContact O-C 3.22Å; F386-S389 PolarHBondContact O-N 3.49Å; S389-I391 PolarHBondContact O-N 3.39Å; S389-I391 VanDerWaalsContact O-N 3.08Å; S389-T392 WeakPolarHBondContact O-CB 3.35Å; S389-T392 PolarHBondContact O-N 3.15Å; S389-T392 PolarHBondContact O-OG1 3.04Å; S389-T392 WeakPolarHBondContact OG-CG2 3.28Å
390N96.2Very high96.4Very high113 Ų11351.9 Ų51.960%0.60428%0.284SS*.THydrogen-bonded Turntrans-57.5-29.8-175.7-63.4-6.4000113.6F386 T392 L393F386-N390 HydrophobicContact CD2-CB 4.45Å; F386-N390 HydrophobicContact CE2-CB 4.03Å; F386-N390 PolarHBondContact O-N 2.99Å; F386-N390 PolarHBondContact O-OD1 2.99Å; N390-T392 VanDerWaalsContact C-N 3.26Å; N390-T392 PolarHBondContact O-N 3.5Å; N390-L393 WeakPolarHBondContact O-CB 3.46Å; N390-L393 PolarHBondContact O-N 2.71Å
391I95.8Very high96.5Very high136 Ų13656 Ų5670%0.69731%0.305SS*.THydrogen-bonded Turntrans-66-29.6-179.1-60.7171.6000111.4S389 L393 L394S389-I391 PolarHBondContact O-N 3.39Å; S389-I391 VanDerWaalsContact O-N 3.08Å; I391-L393 PolarHBondContact O-N 3.12Å; I391-L393 VanDerWaalsContact O-N 3.15Å; I391-L394 PolarHBondContact O-N 3.32Å; I391-L394 VanDerWaalsContact O-N 3.13Å
392T96.1Very high96.5Very high4 Ų457 Ų573%0.02531%0.311CS..Hα-helixtrans-61-25.4-179.562.80000113.3L266 T385 F386 W388 S389 N390 L394 L395 T396L266-T392 HydrophobicContact CD1-CG2 3.93Å; T385-T392 PolarHBondContact O-OG1 3.46Å; F386-T392 PolarHBondContact N-OG1 2.99Å; W388-T392 HydrophobicContact CE3-CG2 3.72Å; W388-T392 HydrophobicContact CZ3-CG2 3.77Å; S389-T392 WeakPolarHBondContact O-CB 3.35Å; S389-T392 PolarHBondContact O-N 3.15Å; S389-T392 PolarHBondContact O-OG1 3.04Å; S389-T392 WeakPolarHBondContact OG-CG2 3.28Å; N390-T392 VanDerWaalsContact C-N 3.26Å; N390-T392 PolarHBondContact O-N 3.5Å; T392-L394 PolarHBondContact O-N 3.44Å; T392-L395 PolarHBondContact O-N 3.47Å; T392-T396 PolarHBondContact O-N 2.81Å; T392-T396 PolarHBondContact O-OG1 3.1Å; T392-T396 VanDerWaalsContact O-OG1 3.14Å
393L95.7Very high96.6Very high72 Ų7255.2 Ų55.238%0.37730%0.301SS..Hα-helixtrans-57.9-34.6177.3-175.866000112.3L382 F386 N390 I391 T396 G397L382-L393 HydrophobicContact CD2-CD1 3.64Å; L382-L393 HydrophobicContact CG-CD1 4.22Å; F386-L393 HydrophobicContact CD2-CB 3.89Å; F386-L393 HydrophobicContact CD2-CD2 4.06Å; F386-L393 HydrophobicContact CD2-CG 4.42Å; F386-L393 HydrophobicContact CE2-CB 4.49Å; F386-L393 HydrophobicContact CE2-CD2 4.04Å; N390-L393 WeakPolarHBondContact O-CB 3.46Å; N390-L393 PolarHBondContact O-N 2.71Å; I391-L393 PolarHBondContact O-N 3.12Å; I391-L393 VanDerWaalsContact O-N 3.15Å; L393-T396 WeakPolarHBondContact CA-OG1 3.24Å; L393-T396 PolarHBondContact O-OG1 2.98Å; L393-G397 WeakPolarHBondContact O-CA 3.47Å; L393-G397 PolarHBondContact O-N 3.26Å
394L96.5Very high96.6Very high118 Ų11853 Ų5362%0.61829%0.291SS*.Hα-helixtrans-65.7-42.9175.7-177.6130.3000110.9I391 T392 L398I391-L394 PolarHBondContact O-N 3.32Å; I391-L394 VanDerWaalsContact O-N 3.13Å; T392-L394 PolarHBondContact O-N 3.44Å; L394-L398 HydrophobicContact CD2-CD1 3.88Å; L394-L398 HydrophobicContact CG-CD1 4.24Å; L394-L398 VanDerWaalsContact O-CB 3.31Å; L394-L398 WeakPolarHBondContact O-CB 3.49Å; L394-L398 WeakPolarHBondContact O-CD1 3.14Å; L394-L398 WeakPolarHBondContact O-CG 3.32Å; L394-L398 PolarHBondContact O-N 3.23Å
395L96.7Very high96.7Very high41 Ų4157 Ų5722%0.21531%0.312CS..Hα-helixtrans-71.2-45.4-179.4-62.2174.8000112L266 I270 T392 L398 N399L266-L395 HydrophobicContact CB-CD1 4.01Å; L266-L395 HydrophobicContact CD1-CD1 4.43Å; I270-L395 HydrophobicContact CD1-CB 4.04Å; I270-L395 HydrophobicContact CD1-CD2 3.54Å; I270-L395 HydrophobicContact CD1-CG 4.4Å; T392-L395 PolarHBondContact O-N 3.47Å; L395-L398 PolarHBondContact O-N 2.96Å; L395-N399 PolarHBondContact O-N 3.41Å
396T95.6Very high96.8Very high3 Ų357 Ų572%0.01831%0.312CS..Hα-helixtrans-69.3-39.6178.855.70000111.4L266 L296 T392 L393 N399 M400L266-T396 HydrophobicContact CD2-CG2 4.29Å; L296-T396 HydrophobicContact CD2-CG2 4.43Å; T392-T396 PolarHBondContact O-N 2.81Å; T392-T396 PolarHBondContact O-OG1 3.1Å; T392-T396 VanDerWaalsContact O-OG1 3.14Å; L393-T396 WeakPolarHBondContact CA-OG1 3.24Å; L393-T396 PolarHBondContact O-OG1 2.98Å; T396-N399 WeakPolarHBondContact O-CB 3.21Å; T396-N399 PolarHBondContact O-N 3.17Å; T396-M400 WeakPolarHBondContact O-CG 3.23Å; T396-M400 PolarHBondContact O-N 3.04Å
397G95.9Very high96.8Very high34 Ų3452.9 Ų52.935%0.35129%0.294SS..Hα-helixtrans-62.9-41.8173.600000113.2L393 N399 M400 L401L393-G397 WeakPolarHBondContact O-CA 3.47Å; L393-G397 PolarHBondContact O-N 3.26Å; G397-N399 VanDerWaalsContact C-N 3.35Å; G397-M400 PolarHBondContact O-N 2.93Å; G397-L401 PolarHBondContact O-N 3.42Å; G397-L401 VanDerWaalsContact O-N 3.12Å
398L97Very high96.8Very high80 Ų8052.7 Ų52.742%0.41929%0.286SS..Hα-helixtrans-63-41172.2-76172.1000111.8I270 L394 L395 L401 V402I270-L398 HydrophobicContact CD1-CB 4.47Å; L394-L398 HydrophobicContact CD2-CD1 3.88Å; L394-L398 HydrophobicContact CG-CD1 4.24Å; L394-L398 VanDerWaalsContact O-CB 3.31Å; L394-L398 WeakPolarHBondContact O-CB 3.49Å; L394-L398 WeakPolarHBondContact O-CD1 3.14Å; L394-L398 WeakPolarHBondContact O-CG 3.32Å; L394-L398 PolarHBondContact O-N 3.23Å; L395-L398 PolarHBondContact O-N 2.96Å; L398-L401 WeakPolarHBondContact O-CB 3.43Å; L398-L401 PolarHBondContact O-N 3.44Å; L398-V402 WeakPolarHBondContact O-CG2 3.43Å; L398-V402 PolarHBondContact O-N 3.45Å
399N97.3Very high96.8Very high1 Ų152 Ų521%0.00528%0.284CS..Hα-helixtrans-59.6-47.3175.3-175.948.3000111.3M269 I270 S273 L395 T396 G397 L401 V402 T403M269-N399 HydrophobicContact CG-CB 4.2Å; M269-N399 PolarHBondContact O-OD1 3.35Å; M269-N399 HydrophobicContact SD-CB 4.05Å; I270-N399 HydrophobicContact CG1-CB 4.46Å; S273-N399 PolarHBondContact OG-OD1 3.18Å; L395-N399 PolarHBondContact O-N 3.41Å; T396-N399 WeakPolarHBondContact O-CB 3.21Å; T396-N399 PolarHBondContact O-N 3.17Å; G397-N399 VanDerWaalsContact C-N 3.35Å; N399-L401 VanDerWaalsContact C-N 3.25Å; N399-L401 PolarHBondContact O-N 3.42Å; N399-V402 PolarHBondContact O-N 2.92Å; N399-V402 VanDerWaalsContact O-N 3.12Å; N399-T403 WeakPolarHBondContact O-CG2 3.44Å; N399-T403 PolarHBondContact O-N 3.14Å; N399-T403 PolarHBondContact O-OG1 3.37Å
400M96.3Very high96.9Very high51 Ų5150.1 Ų50.125%0.25127%0.271SS..Hα-helixtrans-57.2-37.2176.1-66.4-61.2-68.700113A368 E378 T396 G397 T403 A404A368-M400 HydrophobicContact CB-CE 4.37Å; E378-M400 HydrophobicContact CB-SD 4.47Å; E378-M400 WeakPolarHBondContact OE2-CE 3.4Å; T396-M400 WeakPolarHBondContact O-CG 3.23Å; T396-M400 PolarHBondContact O-N 3.04Å; G397-M400 PolarHBondContact O-N 2.93Å; M400-T403 VanDerWaalsContact CA-OG1 3.32Å; M400-T403 WeakPolarHBondContact CA-OG1 3.49Å; M400-T403 PolarHBondContact O-OG1 2.81Å; M400-A404 PolarHBondContact O-N 3.45Å; M400-A404 VanDerWaalsContact O-N 3.15Å
401L97.3Very high96.9Very high100 Ų10045.3 Ų45.352%0.52424%0.244SC..Hα-helixtrans-66.5-48.8175.4-175.9153.3000110.8G397 L398 N399 T403 A404 L405G397-L401 PolarHBondContact O-N 3.42Å; G397-L401 VanDerWaalsContact O-N 3.12Å; L398-L401 WeakPolarHBondContact O-CB 3.43Å; L398-L401 PolarHBondContact O-N 3.44Å; N399-L401 VanDerWaalsContact C-N 3.25Å; N399-L401 PolarHBondContact O-N 3.42Å; L401-T403 VanDerWaalsContact C-N 3.3Å; L401-T403 PolarHBondContact O-N 2.91Å; L401-A404 PolarHBondContact O-N 3.04Å; L401-L405 HydrophobicContact CD2-CD1 3.58Å; L401-L405 HydrophobicContact CD2-CG 4.1Å; L401-L405 WeakPolarHBondContact O-CG 3.19Å; L401-L405 PolarHBondContact O-N 3.17Å
402V97.9Very high97Very high20 Ų2041 Ų4112%0.12123%0.225CC..Hα-helixtrans-67.3-33.2-179.3-176.50000111.3S273 L277 L398 N399 L405 Y406S273-V402 VanDerWaalsContact C-CG1 3.47Å; S273-V402 WeakPolarHBondContact O-CG1 3.28Å; S273-V402 WeakPolarHBondContact OG-CG1 3.32Å; L277-V402 HydrophobicContact CD1-CG1 4.04Å; L277-V402 HydrophobicContact CG-CG1 4.37Å; L398-V402 WeakPolarHBondContact O-CG2 3.43Å; L398-V402 PolarHBondContact O-N 3.45Å; N399-V402 PolarHBondContact O-N 2.92Å; N399-V402 VanDerWaalsContact O-N 3.12Å; V402-L405 PolarHBondContact O-N 2.68Å; V402-Y406 WeakPolarHBondContact O-CD1 3.1Å; V402-Y406 PolarHBondContact O-N 3.41Å
403T97.9Very high97Very high1 Ų141.8 Ų41.81%0.00623%0.23CC..Hα-helixtrans-64.4-41.2174.562.20000112.4N399 M400 L401 Y406 S407N399-T403 WeakPolarHBondContact O-CG2 3.44Å; N399-T403 PolarHBondContact O-N 3.14Å; N399-T403 PolarHBondContact O-OG1 3.37Å; M400-T403 VanDerWaalsContact CA-OG1 3.32Å; M400-T403 WeakPolarHBondContact CA-OG1 3.49Å; M400-T403 PolarHBondContact O-OG1 2.81Å; L401-T403 VanDerWaalsContact C-N 3.3Å; L401-T403 PolarHBondContact O-N 2.91Å; T403-Y406 HydrophobicContact CG2-CE1 3.73Å; T403-S407 VanDerWaalsContact O-CB 3.26Å; T403-S407 WeakPolarHBondContact O-CB 3.36Å; T403-S407 PolarHBondContact O-N 3.34Å; T403-S407 VanDerWaalsContact O-N 3.14Å; T403-S407 PolarHBondContact O-OG 3.19Å
404A97.8Very high97Very high32 Ų3238.4 Ų38.426%0.26421%0.212SC..Hα-helixtrans-62.4-42.6170.900000111.9M400 L401 S407 L408M400-A404 PolarHBondContact O-N 3.45Å; M400-A404 VanDerWaalsContact O-N 3.15Å; L401-A404 PolarHBondContact O-N 3.04Å; A404-S407 WeakPolarHBondContact CA-OG 3.44Å; A404-S407 PolarHBondContact O-OG 3.39Å; A404-L408 WeakPolarHBondContact O-CB 3.45Å; A404-L408 VanDerWaalsContact O-CG 3.31Å; A404-L408 WeakPolarHBondContact O-CG 3.35Å; A404-L408 PolarHBondContact O-N 3.28Å; A404-L408 VanDerWaalsContact O-N 3.13Å
405L98.1Very high97Very high89 Ų8932.9 Ų32.947%0.46618%0.183SC..Hα-helixtrans-62.4-50.8179-69178.7000112.6L277 L401 V402 S407 Y409L277-L405 HydrophobicContact CD2-CB 3.76Å; L401-L405 HydrophobicContact CD2-CD1 3.58Å; L401-L405 HydrophobicContact CD2-CG 4.1Å; L401-L405 WeakPolarHBondContact O-CG 3.19Å; L401-L405 PolarHBondContact O-N 3.17Å; V402-L405 PolarHBondContact O-N 2.68Å; L405-S407 PolarHBondContact O-N 2.9Å; L405-Y409 WeakPolarHBondContact O-CB 3.31Å; L405-Y409 PolarHBondContact O-N 3.06Å
406Y97.7Very high96.8Very high0 Ų037.4 Ų37.40%020%0.197CC..Hα-helixtrans-72.1-31.5-176.574.7-116.9000112.7C276 L285 V402 T403 Y409 M410C276-Y406 HydrophobicContact CB-CD1 3.74Å; C276-Y406 HydrophobicContact CB-CD2 4.19Å; C276-Y406 HydrophobicContact CB-CE1 4.43Å; C276-Y406 HydrophobicContact CB-CG 3.63Å; L285-Y406 HydrophobicContact CD2-CD2 4.27Å; V402-Y406 WeakPolarHBondContact O-CD1 3.1Å; V402-Y406 PolarHBondContact O-N 3.41Å; T403-Y406 HydrophobicContact CG2-CE1 3.73Å; Y406-Y409 PolarHBondContact O-N 2.95Å; Y406-M410 VanDerWaalsContact O-CB 3.31Å; Y406-M410 WeakPolarHBondContact O-CB 3.49Å; Y406-M410 PolarHBondContact O-N 2.97Å
407S97.7Very high96.5Very high0 Ų040 Ų400%023%0.225CC..Hα-helixtrans-70.6-42.7-179.955.70000111.3L367 T403 A404 L405 M410 F411L367-S407 WeakPolarHBondContact CB-OG 3.36Å; T403-S407 VanDerWaalsContact O-CB 3.26Å; T403-S407 WeakPolarHBondContact O-CB 3.36Å; T403-S407 PolarHBondContact O-N 3.34Å; T403-S407 VanDerWaalsContact O-N 3.14Å; T403-S407 PolarHBondContact O-OG 3.19Å; A404-S407 WeakPolarHBondContact CA-OG 3.44Å; A404-S407 PolarHBondContact O-OG 3.39Å; L405-S407 PolarHBondContact O-N 2.9Å; S407-M410 PolarHBondContact O-N 3.33Å; S407-F411 PolarHBondContact O-N 2.91Å
408L96.9Very high96.3Very high80 Ų8042.5 Ų42.542%0.41924%0.237SC..Hα-helixtrans-70.3-36.9172.4-66176.4000111.4L367 A404 M410 F411 T412L367-L408 HydrophobicContact CD2-CD2 4.08Å; L367-L408 HydrophobicContact CD2-CG 4.17Å; A404-L408 WeakPolarHBondContact O-CB 3.45Å; A404-L408 VanDerWaalsContact O-CG 3.31Å; A404-L408 WeakPolarHBondContact O-CG 3.35Å; A404-L408 PolarHBondContact O-N 3.28Å; A404-L408 VanDerWaalsContact O-N 3.13Å; L408-M410 PolarHBondContact O-N 2.98Å; L408-F411 PolarHBondContact O-N 3.49Å; L408-T412 WeakPolarHBondContact O-CB 3.37Å; L408-T412 VanDerWaalsContact O-CG2 3.28Å; L408-T412 WeakPolarHBondContact O-CG2 3.3Å; L408-T412 PolarHBondContact O-N 3.01Å; L408-T412 PolarHBondContact O-OG1 2.91Å
409Y96.9Very high95.9Very high77 Ų7741.5 Ų41.530%0.30223%0.232SC..Hα-helixtrans-59.2-45.8172.3173.5-114.3000111.7L285 M342 L405 Y406 F411 T412 T413L285-Y409 HydrophobicContact CD1-CD1 4.49Å; M342-Y409 HydrophobicContact CE-CD1 4.15Å; M342-Y409 HydrophobicContact CE-CE1 3.33Å; M342-Y409 WeakPolarHBondContact CE-OH 3.33Å; L405-Y409 WeakPolarHBondContact O-CB 3.31Å; L405-Y409 PolarHBondContact O-N 3.06Å; Y406-Y409 PolarHBondContact O-N 2.95Å; Y409-F411 VanDerWaalsContact C-N 3.33Å; Y409-F411 PolarHBondContact O-N 3.17Å; Y409-T412 WeakPolarHBondContact CA-OG1 3.43Å; Y409-T412 PolarHBondContact O-N 3.05Å; Y409-T412 PolarHBondContact O-OG1 3.35Å; Y409-T412 VanDerWaalsContact O-OG1 3.13Å; Y409-T413 HydrophobicContact CD2-CG2 3.63Å; Y409-T413 HydrophobicContact CE2-CG2 3.31Å; Y409-T413 HydrophobicContact CG-CG2 4.34Å; Y409-T413 WeakPolarHBondContact O-CB 3.37Å; Y409-T413 VanDerWaalsContact O-CG2 3.25Å; Y409-T413 WeakPolarHBondContact O-CG2 3.1Å; Y409-T413 PolarHBondContact O-N 3.14Å; Y409-T413 PolarHBondContact O-OG1 3.25Å
410M97.2Very high95.5Very high1 Ų143.3 Ų43.31%0.00524%0.243CC..Hα-helixtrans-59.6-42.8174.7-172-152.4-44.800111.8L285 L326 W359 Y406 S407 L408 T413 T414L285-M410 HydrophobicContact CD1-CB 4.45Å; L285-M410 HydrophobicContact CD2-CB 4.32Å; L285-M410 HydrophobicContact CD2-CE 3.43Å; L285-M410 VanDerWaalsContact CD2-CE 3.43Å; L285-M410 HydrophobicContact CD2-CG 4.21Å; L285-M410 HydrophobicContact CD2-SD 4.39Å; L326-M410 HydrophobicContact CD1-CE 4.44Å; L326-M410 HydrophobicContact CD2-CE 4.44Å; L326-M410 HydrophobicContact CD2-SD 3.98Å; W359-M410 HydrophobicContact CZ3-CG 4.2Å; W359-M410 HydrophobicContact CZ3-SD 3.69Å; Y406-M410 VanDerWaalsContact O-CB 3.31Å; Y406-M410 WeakPolarHBondContact O-CB 3.49Å; Y406-M410 PolarHBondContact O-N 2.97Å; S407-M410 PolarHBondContact O-N 3.33Å; L408-M410 PolarHBondContact O-N 2.98Å; M410-T413 PolarHBondContact O-OG1 2.97Å; M410-T414 WeakPolarHBondContact O-CB 3.41Å; M410-T414 VanDerWaalsContact O-CG2 3.26Å; M410-T414 WeakPolarHBondContact O-CG2 3.2Å; M410-T414 PolarHBondContact O-N 3.26Å; M410-T414 PolarHBondContact O-OG1 3.37Å
411F97.2Very high95Very high11 Ų1148.7 Ų48.75%0.04827%0.267CS..Hα-helixtrans-66.7-51.7177.8177.7-103.1000112.1W359 L360 S407 L408 Y409 T413 T414 Q415 W416W359-F411 HydrophobicContact CB-CD2 4.01Å; W359-F411 HydrophobicContact CB-CE2 4.09Å; L360-F411 HydrophobicContact CB-CD2 4.45Å; L360-F411 HydrophobicContact CB-CE2 3.7Å; L360-F411 HydrophobicContact CB-CZ 4.03Å; L360-F411 HydrophobicContact CD1-CE1 4.04Å; L360-F411 HydrophobicContact CD1-CE2 4.18Å; L360-F411 HydrophobicContact CD1-CZ 3.66Å; L360-F411 HydrophobicContact CG-CE2 4.49Å; L360-F411 HydrophobicContact CG-CZ 4.44Å; S407-F411 PolarHBondContact O-N 2.91Å; L408-F411 PolarHBondContact O-N 3.49Å; Y409-F411 VanDerWaalsContact C-N 3.33Å; Y409-F411 PolarHBondContact O-N 3.17Å; F411-T413 PolarHBondContact O-N 3.35Å; F411-T414 PolarHBondContact O-N 3.46Å; F411-T414 PolarHBondContact O-OG1 3.09Å; F411-Q415 HydrophobicContact CD2-CB 4.26Å; F411-Q415 HydrophobicContact CD2-CG 3.74Å; F411-Q415 HydrophobicContact CE2-CB 3.92Å; F411-Q415 HydrophobicContact CE2-CG 3.61Å; F411-Q415 HydrophobicContact CZ-CB 4.15Å; F411-Q415 HydrophobicContact CZ-CG 4.34Å; F411-Q415 WeakPolarHBondContact O-CB 3.49Å; F411-Q415 PolarHBondContact O-N 3.44Å; F411-W416 HydrophobicContact CE1-CD2 4.29Å; F411-W416 AromaticContact CE1-CE2 3.6Å; F411-W416 AromaticContact CE1-CZ2 3.78Å; F411-W416 HydrophobicContact CE1-CZ2 3.78Å; F411-W416 AromaticContact CE1-NE1 3.58Å; F411-W416 AromaticContact CZ-NE1 3.95Å
412T96.5Very high94.6Very high46 Ų4652.7 Ų52.728%0.28228%0.282SS..Hα-helixtrans-63.9-42.5-177.452.90000112.3L408 Y409 T414 W416L408-T412 WeakPolarHBondContact O-CB 3.37Å; L408-T412 VanDerWaalsContact O-CG2 3.28Å; L408-T412 WeakPolarHBondContact O-CG2 3.3Å; L408-T412 PolarHBondContact O-N 3.01Å; L408-T412 PolarHBondContact O-OG1 2.91Å; Y409-T412 WeakPolarHBondContact CA-OG1 3.43Å; Y409-T412 PolarHBondContact O-N 3.05Å; Y409-T412 PolarHBondContact O-OG1 3.35Å; Y409-T412 VanDerWaalsContact O-OG1 3.13Å; T412-T414 VanDerWaalsContact C-N 3.32Å; T412-T414 PolarHBondContact O-N 3.1Å; T412-W416 HydrophobicContact CG2-CD2 4.16Å; T412-W416 HydrophobicContact CG2-CE3 3.44Å; T412-W416 VanDerWaalsContact CG2-CE3 3.44Å; T412-W416 HydrophobicContact CG2-CZ3 3.71Å; T412-W416 CarbonylContact O-C 3.24Å; T412-W416 WeakPolarHBondContact O-CA 2.88Å; T412-W416 WeakPolarHBondContact O-CB 3.48Å; T412-W416 PolarHBondContact O-N 3.27Å
413T96.2Very high94Very high21 Ų2154 Ų5413%0.12929%0.288CS..Hα-helixtrans-68.3-29.2178.753.30000113.4M342 Q346 Y409 M410 F411M342-T413 HydrophobicContact CE-CG2 4.21Å; M342-T413 WeakPolarHBondContact CG-OG1 3.33Å; M342-T413 PolarHBondContact SD-OG1 3.43Å; Q346-T413 VanDerWaalsContact CG-O 3.26Å; Q346-T413 WeakPolarHBondContact CG-O 3.26Å; Y409-T413 HydrophobicContact CD2-CG2 3.63Å; Y409-T413 HydrophobicContact CE2-CG2 3.31Å; Y409-T413 HydrophobicContact CG-CG2 4.34Å; Y409-T413 WeakPolarHBondContact O-CB 3.37Å; Y409-T413 VanDerWaalsContact O-CG2 3.25Å; Y409-T413 WeakPolarHBondContact O-CG2 3.1Å; Y409-T413 PolarHBondContact O-N 3.14Å; Y409-T413 PolarHBondContact O-OG1 3.25Å; M410-T413 PolarHBondContact O-OG1 2.97Å; F411-T413 PolarHBondContact O-N 3.35Å
414T95.9Very high93.2Very high0 Ų060.4 Ų60.40%032%0.323CS..Hα-helixtrans-92.4-40.5-178.659.10000113.2L282 M342 S345 G347 L348 M410 F411 T412L282-T414 HydrophobicContact CD1-CG2 3.44Å; L282-T414 VanDerWaalsContact CD1-CG2 3.44Å; M342-T414 HydrophobicContact CG-CG2 3.81Å; S345-T414 CarbonylContact O-C 3.22Å; S345-T414 WeakPolarHBondContact O-CA 3Å; G347-T414 PolarHBondContact N-O 3.45Å; L348-T414 WeakPolarHBondContact CB-O 3.22Å; L348-T414 WeakPolarHBondContact CG-O 3.48Å; L348-T414 PolarHBondContact N-O 3.39Å; M410-T414 WeakPolarHBondContact O-CB 3.41Å; M410-T414 VanDerWaalsContact O-CG2 3.26Å; M410-T414 WeakPolarHBondContact O-CG2 3.2Å; M410-T414 PolarHBondContact O-N 3.26Å; M410-T414 PolarHBondContact O-OG1 3.37Å; F411-T414 PolarHBondContact O-N 3.46Å; F411-T414 PolarHBondContact O-OG1 3.09Å; T412-T414 VanDerWaalsContact C-N 3.32Å; T412-T414 PolarHBondContact O-N 3.1Å
415Q96.2Very high92.4Very high2 Ų265.4 Ų65.41%0.00935%0.345CS..Hα-helixtrans-98.8-35.6-171.5-55.9-47.5-58.500112.8G347 L348 Q349 A356 W359 F411G347-Q415 CarbonylContact C-O 3.52Å; G347-Q415 VanDerWaalsContact C-O 3.23Å; G347-Q415 WeakPolarHBondContact CA-O 3.08Å; L348-Q415 PolarHBondContact N-O 3.24Å; Q349-Q415 HydrophobicContact CB-CB 4.36Å; Q349-Q415 VanDerWaalsContact CB-O 3.22Å; Q349-Q415 WeakPolarHBondContact CB-O 3.39Å; Q349-Q415 PolarHBondContact N-O 3.21Å; A356-Q415 HydrophobicContact CB-CB 4.47Å; A356-Q415 HydrophobicContact CB-CG 4.34Å; W359-Q415 HydrophobicContact CB-CG 3.78Å; W359-Q415 VanDerWaalsContact CD1-CD 3.45Å; W359-Q415 HydrophobicContact CG-CG 3.97Å; F411-Q415 HydrophobicContact CD2-CB 4.26Å; F411-Q415 HydrophobicContact CD2-CG 3.74Å; F411-Q415 HydrophobicContact CE2-CB 3.92Å; F411-Q415 HydrophobicContact CE2-CG 3.61Å; F411-Q415 HydrophobicContact CZ-CB 4.15Å; F411-Q415 HydrophobicContact CZ-CG 4.34Å; F411-Q415 WeakPolarHBondContact O-CB 3.49Å; F411-Q415 PolarHBondContact O-N 3.44Å
416W93Very high91.9Very high136 Ų13662.7 Ų62.752%0.51533%0.33SS..SBendtrans-96170.5-177.8-66.9-6000112.2G347 F411 T412G347-W416 WeakPolarHBondContact CA-O 3.26Å; G347-W416 PolarHBondContact N-O 2.77Å; F411-W416 HydrophobicContact CE1-CD2 4.29Å; F411-W416 AromaticContact CE1-CE2 3.6Å; F411-W416 AromaticContact CE1-CZ2 3.78Å; F411-W416 HydrophobicContact CE1-CZ2 3.78Å; F411-W416 AromaticContact CE1-NE1 3.58Å; F411-W416 AromaticContact CZ-NE1 3.95Å; T412-W416 HydrophobicContact CG2-CD2 4.16Å; T412-W416 HydrophobicContact CG2-CE3 3.44Å; T412-W416 VanDerWaalsContact CG2-CE3 3.44Å; T412-W416 HydrophobicContact CG2-CZ3 3.71Å; T412-W416 CarbonylContact O-C 3.24Å; T412-W416 WeakPolarHBondContact O-CA 2.88Å; T412-W416 WeakPolarHBondContact O-CB 3.48Å; T412-W416 PolarHBondContact O-N 3.27Å
417G90.4Very high91.7Very high58 Ų5868 Ų6860%0.59835%0.353SS*.SBendtrans91.6-176.1-17900000113.7G347G347-G417 VanDerWaalsContact CA-O 3.26Å; G347-G417 WeakPolarHBondContact CA-O 3.21Å
418S90.4Very high91.6Very high87 Ų8772.7 Ų72.761%0.60838%0.384SS*.  trans-72.9141.4175.751.50000111
419L89.2Confident91.5Very high59 Ų5970.5 Ų70.531%0.30938%0.375SS..  trans-61.4138.6169.6-71.1169.9000110.6G347 T350 L351 H421G347-L419 WeakPolarHBondContact O-CD2 3.49Å; T350-L419 WeakPolarHBondContact OG1-CD1 3.48Å; T350-L419 WeakPolarHBondContact OG1-CG 3.4Å; L351-L419 HydrophobicContact CD1-CD1 3.99Å; L351-L419 HydrophobicContact CD1-CD2 3.49Å; L351-L419 VanDerWaalsContact CD1-CD2 3.49Å; L351-L419 HydrophobicContact CD1-CG 4.39Å; L351-L419 HydrophobicContact CD2-CD1 3.92Å; L351-L419 HydrophobicContact CG-CD1 3.79Å; L351-L419 HydrophobicContact CG-CD2 3.77Å; L351-L419 HydrophobicContact CG-CG 4.43Å; L419-H421 PolarHBondContact O-N 3.41Å
420T89.1Confident91.5Very high39 Ų3970.7 Ų70.724%0.23938%0.377CS..  trans-66.2113.8170.251.60000110.1L344 Q346 H422 I423L344-T420 WeakPolarHBondContact O-CG2 3.46Å; L344-T420 PolarHBondContact O-OG1 3.46Å; Q346-T420 HydrophobicContact CB-CG2 4.33Å; T420-H422 PolarHBondContact O-N 2.82Å; T420-I423 PolarHBondContact O-N 2.88Å; T420-I423 VanDerWaalsContact O-N 3.1Å; T420-I423 WeakPolarHBondContact OG1-CD1 3.48Å; T420-I423 VanDerWaalsContact OG1-CG1 3.29Å; T420-I423 WeakPolarHBondContact OG1-CG1 3.47Å
421H85.8Confident91.5Very high164 Ų16476.3 Ų76.376%0.75941%0.412SS*.THydrogen-bonded Turntrans-57.9-25.5-171.3-65.8-60.8000115.8L419 N424L419-H421 PolarHBondContact O-N 3.41Å; H421-N424 PolarHBondContact O-OD1 3.44Å
422H88.7Confident91.5Very high183 Ų18377.8 Ų77.885%0.84742%0.417SS*.THydrogen-bonded Turntrans-82.2-12.5-178.3-57.9-58.6000113.8T420 N424T420-H422 PolarHBondContact O-N 2.82Å; H422-N424 PolarHBondContact O-N 3.26Å
423I84.5Confident91.5Very high49 Ų4975.8 Ų75.825%0.25141%0.405SS..  trans-94.488.4-176.3-54.4-172000109.7T337 L344 T420 M426T337-I423 HydrophobicContact CG2-CD1 4.16Å; L344-I423 WeakPolarHBondContact O-CD1 3.47Å; T420-I423 PolarHBondContact O-N 2.88Å; T420-I423 VanDerWaalsContact O-N 3.1Å; T420-I423 WeakPolarHBondContact OG1-CD1 3.48Å; T420-I423 VanDerWaalsContact OG1-CG1 3.29Å; T420-I423 WeakPolarHBondContact OG1-CG1 3.47Å; I423-M426 HydrophobicContact CG2-CG 3.74Å; I423-M426 HydrophobicContact CG2-SD 3.67Å
424N82.7Confident91.6Very high135 Ų13576 Ų7672%0.72241%0.405SS*.  trans-93.4-12.5-179.3-65.1-5.8000113.4H421 H422 M426H421-N424 PolarHBondContact O-OD1 3.44Å; H422-N424 PolarHBondContact O-N 3.26Å; N424-M426 PolarHBondContact O-N 3.37Å
425N80.8Confident91.6Very high136 Ų13679.2 Ų79.273%0.72743%0.425SS*.  trans-96.729.5-168.7-70.2-8.8000114.2K427N425-K427 PolarHBondContact O-N 3.19Å; N425-K427 VanDerWaalsContact O-N 3.11Å
426M87.9Confident91.7Very high32 Ų3279.3 Ų79.316%0.15843%0.425CS..  trans-78.2100.3179.3-64.3-54.2-84.700110.9R336 T337 L348 L351 L352 I423 N424R336-M426 HydrophobicContact CB-CE 3.98Å; R336-M426 HydrophobicContact CB-SD 3.68Å; R336-M426 HydrophobicContact CG-CE 4.42Å; R336-M426 HydrophobicContact CG-SD 4.42Å; T337-M426 HydrophobicContact CG2-CE 4.37Å; T337-M426 HydrophobicContact CG2-SD 4.14Å; L348-M426 HydrophobicContact CD1-CE 4.46Å; L348-M426 HydrophobicContact CD2-CE 3.5Å; L348-M426 VanDerWaalsContact CD2-CE 3.5Å; L351-M426 HydrophobicContact CD1-CB 3.83Å; L351-M426 HydrophobicContact CD1-CG 3.87Å; L352-M426 HydrophobicContact CD1-CE 4.38Å; I423-M426 HydrophobicContact CG2-CG 3.74Å; I423-M426 HydrophobicContact CG2-SD 3.67Å; N424-M426 PolarHBondContact O-N 3.37Å
427K92.5Very high91.9Very high113 Ų11372.9 Ų72.949%0.49140%0.401SS..PPolyproline II helixtrans-69.1147172.1-64.5-178.5-177.4178.30110.5R336 N425 F430R336-K427 PolarHBondContact NE-O 2.96Å; R336-K427 PolarHBondContact NH2-O 3.34Å; N425-K427 PolarHBondContact O-N 3.19Å; N425-K427 VanDerWaalsContact O-N 3.11Å; K427-F430 HydrophobicContact CB-CE2 4.43Å; K427-F430 HydrophobicContact CB-CZ 4.31Å; K427-F430 HydrophobicContact CD-CZ 3.96Å
428P95.2Very high92.3Very high98 Ų9875.6 Ų75.664%0.63640%0.396SS*.PPolyproline II helixtrans-56.9163.5173.324.4-33.9000112R336 F430R336-P428 PolarHBondContact NH2-O 2.99Å; P428-F430 PolarHBondContact O-N 3.39Å
429S95.9Very high92.6Very high34 Ų3474 Ų7424%0.23838%0.38CS..PPolyproline II helixtrans-62.2125.1177.858.70000110.4N434S429-N434 PolarHBondContact OG-ND2 3.26Å
430F96.3Very high93Very high80 Ų8071.3 Ų71.335%0.35137%0.366SS..PPolyproline II helixtrans-74.3149.8176.9-67.7-76.6000110.5K427 P428 R432 E433 N434K427-F430 HydrophobicContact CB-CE2 4.43Å; K427-F430 HydrophobicContact CB-CZ 4.31Å; K427-F430 HydrophobicContact CD-CZ 3.96Å; P428-F430 PolarHBondContact O-N 3.39Å; F430-R432 PolarHBondContact O-N 3.44Å; F430-E433 HydrophobicContact CB-CG 4.15Å; F430-E433 PolarHBondContact N-OE2 3.01Å; F430-E433 WeakPolarHBondContact O-CB 3.49Å; F430-E433 PolarHBondContact O-N 3.35Å; F430-N434 PolarHBondContact O-N 3.18Å; F430-N434 VanDerWaalsContact O-N 3.13Å
431T97.1Very high93.3Very high120 Ų12069.9 Ų69.974%0.73636%0.357SS*.Hα-helixtrans-53.6-44174.352.90000111.4E433 N434 T435T431-E433 VanDerWaalsContact C-N 3.31Å; T431-E433 PolarHBondContact O-N 3.13Å; T431-N434 PolarHBondContact O-N 2.9Å; T431-T435 WeakPolarHBondContact O-CG2 3.44Å; T431-T435 PolarHBondContact O-N 2.93Å; T431-T435 PolarHBondContact O-OG1 3.35Å; T431-T435 VanDerWaalsContact O-OG1 3.09Å
432R96.8Very high93.7Very high42 Ų4263.3 Ų63.316%0.15833%0.329CS..Hα-helixtrans-52-44.1173.7-177.2-162.269.1105.8-5.1113.4M78 X79 E335 F430 T435 L436M78-R432 WeakPolarHBondContact O-CD 3.41Å; M78-R432 PolarHBondContact O-NH1 3.04Å; A79-R432 PolarHBondContact O-NH1 3.36Å; E335-R432 IonicContact OE1-NH2 3.17Å; E335-R432 IonicContact OE2-NH2 3.95Å; E335-R432 PolarHBondContact OE2-NH2 3.42Å; F430-R432 PolarHBondContact O-N 3.44Å; R432-T435 VanDerWaalsContact C-OG1 3.3Å; R432-T435 VanDerWaalsContact CA-OG1 3.31Å; R432-T435 WeakPolarHBondContact CA-OG1 3.43Å; R432-T435 PolarHBondContact O-OG1 3.5Å; R432-L436 VanDerWaalsContact O-CB 3.28Å; R432-L436 WeakPolarHBondContact O-CB 3.38Å; R432-L436 PolarHBondContact O-N 3.09Å
433E97.1Very high94Very high4 Ų455.7 Ų55.72%0.01930%0.296CS..Hα-helixtrans-69.3-46.9-178.3-66171.5155.500110.1R336 M355 F430 T431 T435 L436 M437R336-E433 IonicContact CZ-OE1 3.54Å; R336-E433 IonicContact CZ-OE2 3.5Å; R336-E433 IonicContact NH1-OE1 2.82Å; R336-E433 PolarHBondContact NH1-OE1 3.45Å; R336-E433 IonicContact NH1-OE2 3.37Å; R336-E433 PolarHBondContact NH1-OE2 3.29Å; R336-E433 IonicContact NH2-OE1 3.39Å; R336-E433 PolarHBondContact NH2-OE1 3.42Å; R336-E433 IonicContact NH2-OE2 2.7Å; R336-E433 PolarHBondContact NH2-OE2 3.18Å; M355-E433 HydrophobicContact CE-CB 4.07Å; F430-E433 HydrophobicContact CB-CG 4.15Å; F430-E433 PolarHBondContact N-OE2 3.01Å; F430-E433 WeakPolarHBondContact O-CB 3.49Å; F430-E433 PolarHBondContact O-N 3.35Å; T431-E433 VanDerWaalsContact C-N 3.31Å; T431-E433 PolarHBondContact O-N 3.13Å; E433-T435 PolarHBondContact O-N 2.98Å; E433-L436 WeakPolarHBondContact O-CB 3.16Å; E433-L436 PolarHBondContact O-N 3.02Å; E433-L436 VanDerWaalsContact O-N 3.15Å; E433-M437 WeakPolarHBondContact O-CG 3.33Å; E433-M437 PolarHBondContact O-N 2.95Å
434N97.8Very high94.5Very high25 Ų2553.6 Ų53.613%0.13429%0.286CS..Hα-helixtrans-63.9-40.9178.2-68.8-32000112L354 W358 S429 F430 T431 L436 M437 F438L354-N434 HydrophobicContact CD2-CB 4.5Å; L354-N434 WeakPolarHBondContact CD2-ND2 3.43Å; W358-N434 PolarHBondContact NE1-OD1 2.7Å; S429-N434 PolarHBondContact OG-ND2 3.26Å; F430-N434 PolarHBondContact O-N 3.18Å; F430-N434 VanDerWaalsContact O-N 3.13Å; T431-N434 PolarHBondContact O-N 2.9Å; N434-L436 VanDerWaalsContact C-N 3.28Å; N434-L436 PolarHBondContact O-N 2.88Å; N434-M437 PolarHBondContact O-N 3.15Å; N434-F438 WeakPolarHBondContact O-CB 3.48Å; N434-F438 PolarHBondContact O-N 3.01Å
435T97.4Very high95Very high67 Ų6751.9 Ų51.941%0.41128%0.276SS..Hα-helixtrans-62.8-37.9174.353.10000111.5T431 R432 E433 M439T431-T435 WeakPolarHBondContact O-CG2 3.44Å; T431-T435 PolarHBondContact O-N 2.93Å; T431-T435 PolarHBondContact O-OG1 3.35Å; T431-T435 VanDerWaalsContact O-OG1 3.09Å; R432-T435 VanDerWaalsContact C-OG1 3.3Å; R432-T435 VanDerWaalsContact CA-OG1 3.31Å; R432-T435 WeakPolarHBondContact CA-OG1 3.43Å; R432-T435 PolarHBondContact O-OG1 3.5Å; E433-T435 PolarHBondContact O-N 2.98Å; T435-M439 WeakPolarHBondContact O-CB 3.29Å; T435-M439 WeakPolarHBondContact O-CG 2.84Å; T435-M439 PolarHBondContact O-N 2.93Å
436L97.7Very high95.7Very high4 Ų450.9 Ų50.92%0.02127%0.27CS..Hα-helixtrans-65.4-46.3176.9179.9156.6000110.8X79 C328 R432 E433 N434 F438 M439 H440A79-L436 HydrophobicContact CB-CD1 3.6Å; C328-L436 HydrophobicContact CB-CD2 3.35Å; R432-L436 VanDerWaalsContact O-CB 3.28Å; R432-L436 WeakPolarHBondContact O-CB 3.38Å; R432-L436 PolarHBondContact O-N 3.09Å; E433-L436 WeakPolarHBondContact O-CB 3.16Å; E433-L436 PolarHBondContact O-N 3.02Å; E433-L436 VanDerWaalsContact O-N 3.15Å; N434-L436 VanDerWaalsContact C-N 3.28Å; N434-L436 PolarHBondContact O-N 2.88Å; L436-F438 VanDerWaalsContact C-N 3.34Å; L436-F438 PolarHBondContact O-N 3.34Å; L436-M439 PolarHBondContact O-N 2.93Å; L436-H440 VanDerWaalsContact CD2-CE1 3.43Å; L436-H440 WeakPolarHBondContact CD2-CE1 3.39Å; L436-H440 WeakPolarHBondContact CD2-ND1 3.31Å; L436-H440 PolarHBondContact O-N 3.46Å; L436-H440 PolarHBondContact O-ND1 3.13Å
437M97.8Very high96Very high2 Ų250.9 Ų50.91%0.0127%0.27CS..Hα-helixtrans-63.3-43.1178.5-58.3-45.7157.500111.1L325 C328 L329 M355 W358 E433 N434 M439 H440 L441L325-M437 HydrophobicContact CG-SD 4.26Å; C328-M437 HydrophobicContact CB-CE 3.83Å; C328-M437 HydrophobicContact CB-SD 4.16Å; L329-M437 HydrophobicContact CD2-CE 3.76Å; L329-M437 HydrophobicContact CD2-CG 4.07Å; L329-M437 HydrophobicContact CD2-SD 3.62Å; L329-M437 HydrophobicContact CG-CE 4.13Å; L329-M437 HydrophobicContact CG-SD 3.82Å; M355-M437 HydrophobicContact CE-CE 4.19Å; M355-M437 HydrophobicContact SD-CE 4.39Å; M355-M437 HydrophobicContact SD-CG 4.35Å; W358-M437 HydrophobicContact CB-CB 4.08Å; W358-M437 HydrophobicContact CB-CG 4.09Å; W358-M437 HydrophobicContact CD2-CB 3.75Å; W358-M437 HydrophobicContact CE3-CB 4.31Å; W358-M437 HydrophobicContact CG-CB 3.64Å; W358-M437 HydrophobicContact CG-CG 3.93Å; E433-M437 WeakPolarHBondContact O-CG 3.33Å; E433-M437 PolarHBondContact O-N 2.95Å; N434-M437 PolarHBondContact O-N 3.15Å; M437-M439 PolarHBondContact O-N 3.21Å; M437-H440 PolarHBondContact O-N 2.86Å; M437-L441 PolarHBondContact O-N 2.59Å
438F97.7Very high96.1Very high114 Ų11447 Ų4750%0.526%0.257SS..Hα-helixtrans-59-45.5176.2179-102.4000112.3W358 N434 L436 H440 L441 S442W358-F438 HydrophobicContact CH2-CB 4.09Å; W358-F438 HydrophobicContact CH2-CD2 4.08Å; W358-F438 HydrophobicContact CZ2-CB 4.33Å; N434-F438 WeakPolarHBondContact O-CB 3.48Å; N434-F438 PolarHBondContact O-N 3.01Å; L436-F438 VanDerWaalsContact C-N 3.34Å; L436-F438 PolarHBondContact O-N 3.34Å; F438-H440 PolarHBondContact O-N 3.26Å; F438-L441 PolarHBondContact O-N 3.27Å; F438-S442 WeakPolarHBondContact O-CB 3.5Å; F438-S442 PolarHBondContact O-N 2.95Å; F438-S442 PolarHBondContact O-OG 2.77Å
439M97.1Very high96.1Very high54 Ų5449.1 Ų49.127%0.26626%0.263SS..Hα-helixtrans-67.4-20.1179.2-71.6-69.6-169.200114.1W71 L75 T435 L436 M437 P443W71-M439 HydrophobicContact CH2-SD 3.77Å; W71-M439 HydrophobicContact CZ2-CB 4.17Å; W71-M439 WeakPolarHBondContact CZ2-O 3.44Å; W71-M439 HydrophobicContact CZ2-SD 3.77Å; W71-M439 PolarHBondContact NE1-O 3.08Å; L75-M439 HydrophobicContact CD2-CB 3.73Å; L75-M439 HydrophobicContact CG-CB 4.25Å; T435-M439 WeakPolarHBondContact O-CB 3.29Å; T435-M439 WeakPolarHBondContact O-CG 2.84Å; T435-M439 PolarHBondContact O-N 2.93Å; L436-M439 PolarHBondContact O-N 2.93Å; M437-M439 PolarHBondContact O-N 3.21Å; M439-P443 VanDerWaalsContact O-CD 3.22Å; M439-P443 WeakPolarHBondContact O-CD 3.47Å
440H97.1Very high95.9Very high2 Ų251 Ų511%0.00927%0.27CS..Hα-helixtrans-84.5-35.7171.3-74.691000112.4L75 M229 S324 L325 L436 M437 F438 P443 I444L75-H440 HydrophobicContact CD2-CB 4.49Å; L75-H440 WeakPolarHBondContact CD2-CE1 3.42Å; L75-H440 WeakPolarHBondContact CD2-ND1 3.46Å; M229-H440 WeakPolarHBondContact CE-NE2 3.4Å; S324-H440 PolarHBondContact OG-CD2 3.2Å; S324-H440 VanDerWaalsContact OG-CD2 3.26Å; L325-H440 HydrophobicContact CB-CB 3.81Å; L325-H440 HydrophobicContact CD1-CB 3.59Å; L325-H440 HydrophobicContact CG-CB 4.16Å; L436-H440 VanDerWaalsContact CD2-CE1 3.43Å; L436-H440 WeakPolarHBondContact CD2-CE1 3.39Å; L436-H440 WeakPolarHBondContact CD2-ND1 3.31Å; L436-H440 PolarHBondContact O-N 3.46Å; L436-H440 PolarHBondContact O-ND1 3.13Å; M437-H440 PolarHBondContact O-N 2.86Å; F438-H440 PolarHBondContact O-N 3.26Å; H440-P443 WeakPolarHBondContact O-CD 3.44Å; H440-I444 WeakPolarHBondContact O-CG1 3.28Å
441L95.4Very high95.6Very high10 Ų1048.7 Ų48.75%0.05226%0.263CS..Hα-helixtrans-81.2-33.9-178.4-74.3164.9000113.1L325 W358 L361 M437 F438 I444 L445L325-L441 HydrophobicContact CD1-CD1 3.92Å; L325-L441 HydrophobicContact CD1-CD2 3.86Å; L325-L441 HydrophobicContact CD1-CG 3.45Å; L325-L441 VanDerWaalsContact CD1-CG 3.45Å; W358-L441 HydrophobicContact CD2-CD1 4.3Å; W358-L441 HydrophobicContact CE3-CD1 3.18Å; W358-L441 HydrophobicContact CZ3-CD1 3.44Å; W358-L441 VanDerWaalsContact CZ3-CD1 3.44Å; L361-L441 HydrophobicContact CB-CD1 4.02Å; L361-L441 HydrophobicContact CB-CD2 4.11Å; L361-L441 HydrophobicContact CD1-CD1 3.83Å; M437-L441 PolarHBondContact O-N 2.59Å; F438-L441 PolarHBondContact O-N 3.27Å; L441-I444 HydrophobicContact CD2-CD1 4.36Å; L441-I444 WeakPolarHBondContact O-CB 3.48Å; L441-I444 PolarHBondContact O-N 2.97Å; L441-I444 VanDerWaalsContact O-N 3.09Å; L441-L445 PolarHBondContact O-N 3.41Å
442S95.4Very high95.2Very high25 Ų2548.2 Ų48.218%0.17526%0.256CS..Hα-helixtrans-58.2-41.3-177.667.20000113F438 L445 L446F438-S442 WeakPolarHBondContact O-CB 3.5Å; F438-S442 PolarHBondContact O-N 2.95Å; F438-S442 PolarHBondContact O-OG 2.77Å; S442-L445 PolarHBondContact O-N 2.98Å; S442-L446 WeakPolarHBondContact O-CB 3.4Å; S442-L446 WeakPolarHBondContact O-CG 3.45Å; S442-L446 PolarHBondContact O-N 3.49Å
443P94.7Very high94.8Very high24 Ų2449.3 Ų49.316%0.15626%0.264CS..Hα-helixtrans-69.2-35175-16.632.9000112.4W71 L321 M439 H440 L445 L446 L447W71-P443 HydrophobicContact CZ2-CG 4.12Å; L321-P443 HydrophobicContact CD1-CB 4.03Å; M439-P443 VanDerWaalsContact O-CD 3.22Å; M439-P443 WeakPolarHBondContact O-CD 3.47Å; H440-P443 WeakPolarHBondContact O-CD 3.44Å; P443-L445 VanDerWaalsContact C-N 3.33Å; P443-L445 PolarHBondContact O-N 3.16Å; P443-L446 PolarHBondContact O-N 3.42Å; P443-L447 WeakPolarHBondContact O-CB 3.41Å; P443-L447 WeakPolarHBondContact O-CD1 3.39Å; P443-L447 WeakPolarHBondContact O-CG 3.13Å; P443-L447 PolarHBondContact O-N 3.01Å
444I94.3Very high94.4Very high5 Ų549.2 Ų49.23%0.02626%0.264CS..Hα-helixtrans-61.4-45.2177.1-60.7174.2000110.2L321 T322 I373 H440 L441 S448L321-I444 HydrophobicContact CB-CD1 3.7Å; L321-I444 HydrophobicContact CB-CG1 3.62Å; L321-I444 HydrophobicContact CD1-CG1 3.71Å; L321-I444 HydrophobicContact CG-CG1 4.29Å; T322-I444 HydrophobicContact CG2-CD1 3.85Å; I373-I444 HydrophobicContact CD1-CG2 4.42Å; I373-I444 HydrophobicContact CG1-CG2 4.09Å; H440-I444 WeakPolarHBondContact O-CG1 3.28Å; L441-I444 HydrophobicContact CD2-CD1 4.36Å; L441-I444 WeakPolarHBondContact O-CB 3.48Å; L441-I444 PolarHBondContact O-N 2.97Å; L441-I444 VanDerWaalsContact O-N 3.09Å; I444-S448 PolarHBondContact O-N 2.81Å
445L93.9Very high93.8Very high99 Ų9949 Ų4952%0.51826%0.264SS..Hα-helixtrans-69.2-44.8178.5-66.2174.2000111.6L441 S442 P443 S448L441-L445 PolarHBondContact O-N 3.41Å; S442-L445 PolarHBondContact O-N 2.98Å; P443-L445 VanDerWaalsContact C-N 3.33Å; P443-L445 PolarHBondContact O-N 3.16Å; L445-S448 WeakPolarHBondContact O-CB 3.35Å; L445-S448 PolarHBondContact O-N 3.22Å; L445-S448 PolarHBondContact O-OG 2.79Å
446L94.4Very high92.9Very high115 Ų11546 Ų4660%0.60225%0.245SC*.Hα-helixtrans-66.1-40.6179.6-70.2170.7000112.4S442 P443 S448 L449S442-L446 WeakPolarHBondContact O-CB 3.4Å; S442-L446 WeakPolarHBondContact O-CG 3.45Å; S442-L446 PolarHBondContact O-N 3.49Å; P443-L446 PolarHBondContact O-N 3.42Å; L446-S448 PolarHBondContact O-N 2.92Å; L446-L449 WeakPolarHBondContact O-CB 3.41Å; L446-L449 PolarHBondContact O-N 3.37Å; L446-L449 VanDerWaalsContact O-N 3.12Å
447L94.7Very high91.5Very high31 Ų3149.8 Ų49.816%0.16226%0.262CS..Hα-helixtrans-66.9-24.5175.8-71.3171.2000112.5I317 L321 I373 P443 L449 N450 P451 I454I317-L447 HydrophobicContact CG2-CD1 4.23Å; L321-L447 HydrophobicContact CD1-CD1 4.37Å; I373-L447 HydrophobicContact CD1-CB 4.14Å; I373-L447 HydrophobicContact CD1-CD1 4.05Å; I373-L447 HydrophobicContact CG2-CB 3.94Å; P443-L447 WeakPolarHBondContact O-CB 3.41Å; P443-L447 WeakPolarHBondContact O-CD1 3.39Å; P443-L447 WeakPolarHBondContact O-CG 3.13Å; P443-L447 PolarHBondContact O-N 3.01Å; L447-L449 PolarHBondContact O-N 2.9Å; L447-N450 CarbonylContact O-C 3.37Å; L447-N450 VanDerWaalsContact O-C 3.24Å; L447-N450 PolarHBondContact O-N 3.3Å; L447-P451 WeakPolarHBondContact O-CA 3.5Å; L447-P451 VanDerWaalsContact O-N 3.15Å; L447-I454 HydrophobicContact CD1-CG2 4.42Å; L447-I454 HydrophobicContact CD2-CG2 3.83Å
448S94.6Very high89.3Confident32 Ų3252.4 Ų52.422%0.22428%0.28CS..Hα-helixtrans-68.1-24.3172.975.30000113.3I444 L445 L446I444-S448 PolarHBondContact O-N 2.81Å; L445-S448 WeakPolarHBondContact O-CB 3.35Å; L445-S448 PolarHBondContact O-N 3.22Å; L445-S448 PolarHBondContact O-OG 2.79Å; L446-S448 PolarHBondContact O-N 2.92Å
449L94.1Very high86.7Confident143 Ų14352.6 Ų52.675%0.74930%0.296SS*.Hα-helixtrans-79.8-29.5176.2-61174.4000112.7L446 L447L446-L449 WeakPolarHBondContact O-CB 3.41Å; L446-L449 PolarHBondContact O-N 3.37Å; L446-L449 VanDerWaalsContact O-N 3.12Å; L447-L449 PolarHBondContact O-N 2.9Å
450N92.5Very high86.1Confident73 Ų7352.5 Ų52.539%0.3930%0.297SS..  trans-139.676.4178.2-170.7-0.1000110.6L447 D452 I453L447-N450 CarbonylContact O-C 3.37Å; L447-N450 VanDerWaalsContact O-C 3.24Å; L447-N450 PolarHBondContact O-N 3.3Å; N450-D452 PolarHBondContact O-N 3.09Å; N450-I453 HydrophobicContact CB-CD1 4.29Å
451P90.8Very high85.6Confident32 Ų3255.2 Ų55.221%0.20831%0.312CS..G310 helixtrans-71.5-16.1-177.829.9-35.4000113L376 L447 I453 I454L376-P451 HydrophobicContact CD1-CB 3.68Å; L376-P451 HydrophobicContact CD1-CG 4.02Å; L447-P451 WeakPolarHBondContact O-CA 3.5Å; L447-P451 VanDerWaalsContact O-N 3.15Å; P451-I453 PolarHBondContact O-N 3.24Å; P451-I453 VanDerWaalsContact O-N 3.11Å; P451-I454 WeakPolarHBondContact O-CG1 3.43Å; P451-I454 PolarHBondContact O-N 3.06Å
452D88.4Confident85Confident110 Ų11057.7 Ų57.759%0.58833%0.327SS*.G310 helixtrans-59.6-28-176.8-61.7-16.8000112.6N450 I454 T455N450-D452 PolarHBondContact O-N 3.09Å; D452-I454 PolarHBondContact O-N 3.09Å; D452-I454 VanDerWaalsContact O-N 3.14Å; D452-T455 PolarHBondContact O-N 3.09Å; D452-T455 PolarHBondContact O-OG1 3.49Å
453I87.7Confident84.4Confident64 Ų6459.6 Ų59.633%0.32834%0.336SS..G310 helixtrans-61.2-24.1177-61.2176.9000112.1F42 N450 P451F42-I453 HydrophobicContact CD1-CG2 3.27Å; F42-I453 HydrophobicContact CD2-CG2 4.25Å; F42-I453 HydrophobicContact CE1-CG2 3.12Å; F42-I453 HydrophobicContact CE2-CG2 4.14Å; F42-I453 HydrophobicContact CG-CG2 3.86Å; F42-I453 HydrophobicContact CZ-CG2 3.59Å; N450-I453 HydrophobicContact CB-CD1 4.29Å; P451-I453 PolarHBondContact O-N 3.24Å; P451-I453 VanDerWaalsContact O-N 3.11Å
454I89.7Confident83.8Confident3 Ų361.8 Ų61.82%0.01535%0.347CS..G310 helixtrans-117.88.8-172.459.8165.1000113.7P64 V313 I314 I317 I373 L447 P451 D452 G456P64-I454 HydrophobicContact CB-CG2 4.07Å; P64-I454 HydrophobicContact CG-CG2 4.3Å; V313-I454 WeakPolarHBondContact CG1-O 3.4Å; I314-I454 HydrophobicContact CB-CD1 4.46Å; I314-I454 HydrophobicContact CG1-CD1 4.24Å; I314-I454 HydrophobicContact CG1-CG1 4.15Å; I314-I454 WeakPolarHBondContact CG1-O 3.44Å; I314-I454 HydrophobicContact CG2-CD1 4.02Å; I317-I454 HydrophobicContact CD1-CB 3.61Å; I317-I454 HydrophobicContact CD1-CG2 3.72Å; I373-I454 HydrophobicContact CB-CD1 4.23Å; I373-I454 HydrophobicContact CD1-CD1 4.4Å; I373-I454 HydrophobicContact CG2-CD1 3.86Å; L447-I454 HydrophobicContact CD1-CG2 4.42Å; L447-I454 HydrophobicContact CD2-CG2 3.83Å; P451-I454 WeakPolarHBondContact O-CG1 3.43Å; P451-I454 PolarHBondContact O-N 3.06Å; D452-I454 PolarHBondContact O-N 3.09Å; D452-I454 VanDerWaalsContact O-N 3.14Å; I454-G456 VanDerWaalsContact C-N 3.27Å; I454-G456 PolarHBondContact O-N 3.15Å
455T84.6Confident83.1Confident21 Ų2165.6 Ų65.613%0.12937%0.368CS..  trans-75.3-12.7-178.554.20000113.5T310 I314 D452T310-T455 WeakPolarHBondContact CA-O 3.41Å; T310-T455 VanDerWaalsContact CB-O 3.26Å; T310-T455 WeakPolarHBondContact CB-O 3.41Å; T310-T455 WeakPolarHBondContact CG2-O 3.46Å; I314-T455 HydrophobicContact CD1-CG2 4.22Å; D452-T455 PolarHBondContact O-N 3.09Å; D452-T455 PolarHBondContact O-OG1 3.49Å
456G79Confident82.3Confident2 Ų263.2 Ų63.22%0.02136%0.358CS..G310 helixtrans72.3-133.9-179.300000111.9P60 I454 S458P60-G456 WeakPolarHBondContact CB-O 3.38Å; I454-G456 VanDerWaalsContact C-N 3.27Å; I454-G456 PolarHBondContact O-N 3.15Å; G456-S458 PolarHBondContact O-N 3.49Å
457F66.9Low81.4Confident85 Ų8559.2 Ų59.237%0.37334%0.339SS..G310 helixtrans-74.20.7-169.4-67.2-67.1000116.1D59 L61D59-F457 WeakPolarHBondContact OD2-CZ 3.14Å; L61-F457 HydrophobicContact CB-CE2 3.98Å; L61-F457 HydrophobicContact CB-CZ 4.1Å; L61-F457 HydrophobicContact CD1-CD2 4.28Å; L61-F457 HydrophobicContact CD1-CE2 3.48Å; L61-F457 VanDerWaalsContact CD1-CE2 3.48Å; L61-F457 HydrophobicContact CD1-CZ 4.17Å; L61-F457 HydrophobicContact CG-CE2 4.39Å
458S52.5Low80.3Confident57 Ų5761.6 Ų61.640%0.39935%0.353SS..G310 helixtrans-115.533.5-177.294.60000114.4T310 G456T310-S458 WeakPolarHBondContact CG2-OG 3.17Å; G456-S458 PolarHBondContact O-N 3.49Å
459S42.4Very low79Confident117 Ų11764.3 Ų64.382%0.81837%0.365SS*.  trans-80.80158.360.10000110.9N47N47-S459 PolarHBondContact ND2-O 3.22Å; N47-S459 PolarHBondContact OD1-O 2.87Å

Retrieved 459 of 459 residues in 423.3 ms (Link to these results)

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