A0A023Q9G1_HUMAN Loading...

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 , UniProt , Accession A0A023Q9G1, 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
1M89Confident94.9Very high11 Ų1149.4 Ų49.45%0.05426%0.256CS..  0-19.10-64.7-56.4168.100115.7K3 L4 I5 F41 F56 S58 L66 T111M1-K3 PolarHBondContact O-N 3.23Å; M1-K3 VanDerWaalsContact O-N 3.12Å; M1-L4 PolarHBondContact O-N 3.16Å; M1-I5 HydrophobicContact CB-CD1 3.84Å; M1-I5 WeakPolarHBondContact O-CG1 3.33Å; M1-I5 PolarHBondContact O-N 2.93Å; M1-I5 VanDerWaalsContact O-N 3.13Å; M1-F41 HydrophobicContact CE-CD1 4.1Å; M1-F41 HydrophobicContact CE-CE1 3.69Å; M1-F41 HydrophobicContact CE-CE2 4.26Å; M1-F41 HydrophobicContact CE-CZ 3.78Å; M1-F41 HydrophobicContact SD-CE1 3.85Å; M1-F41 HydrophobicContact SD-CE2 3.85Å; M1-F41 HydrophobicContact SD-CZ 3.35Å; M1-F41 WeakPolarHBondContact SD-CZ 3.27Å; M1-F56 HydrophobicContact CB-CB 3.75Å; M1-F56 HydrophobicContact CB-CD1 4.48Å; M1-F56 HydrophobicContact CB-CD2 4.34Å; M1-F56 HydrophobicContact CB-CG 3.94Å; M1-F56 HydrophobicContact CG-CB 3.61Å; M1-F56 HydrophobicContact CG-CG 4.26Å; M1-S58 WeakPolarHBondContact CE-OG 3.46Å; M1-L66 HydrophobicContact CE-CD1 4.4Å; M1-T111 HydrophobicContact CB-CG2 4.41Å; M1-T111 HydrophobicContact CE-CG2 3.82Å; M1-T111 HydrophobicContact CG-CG2 3.52Å; M1-T111 HydrophobicContact SD-CG2 3.66Å
2L91.6Very high95.1Very high114 Ų11449.7 Ų49.760%0.59726%0.258SS*.Hα-helixtrans-53.5-33.8178.5-77157.7000114.4L4 I5 V6L2-L4 PolarHBondContact O-N 2.94Å; L2-L4 VanDerWaalsContact O-N 3.09Å; L2-I5 PolarHBondContact O-N 3.07Å; L2-V6 HydrophobicContact CD2-CG2 4.24Å; L2-V6 WeakPolarHBondContact O-CB 3.24Å; L2-V6 WeakPolarHBondContact O-CG2 3.5Å; L2-V6 PolarHBondContact O-N 2.8Å
3K91.8Very high95.3Very high101 Ų10150.1 Ų50.144%0.43927%0.265SS..Hα-helixtrans-57-22.1173.768.3175.8178.8178.80114.5M1 P7 I37 F41M1-K3 PolarHBondContact O-N 3.23Å; M1-K3 VanDerWaalsContact O-N 3.12Å; K3-P7 VanDerWaalsContact O-CD 3.23Å; K3-P7 WeakPolarHBondContact O-CD 3.3Å; K3-P7 VanDerWaalsContact O-CG 3.22Å; K3-P7 WeakPolarHBondContact O-CG 3.23Å; K3-I37 HydrophobicContact CD-CG2 4.39Å; K3-I37 HydrophobicContact CG-CG2 4.32Å; K3-F41 HydrophobicContact CD-CZ 4.26Å; K3-F41 HydrophobicContact CG-CZ 4.3Å
4L93.2Very high95.4Very high0 Ų049.2 Ų49.20%026%0.261CS..Hα-helixtrans-100.6-41.3177-161.7153.6000110.5M1 L2 P7 T8 P38 F41 T70 I107M1-L4 PolarHBondContact O-N 3.16Å; L2-L4 PolarHBondContact O-N 2.94Å; L2-L4 VanDerWaalsContact O-N 3.09Å; L4-P7 WeakPolarHBondContact O-CD 3.25Å; L4-T8 HydrophobicContact CD2-CG2 4.33Å; L4-T8 WeakPolarHBondContact O-CG2 3.47Å; L4-T8 PolarHBondContact O-N 3.12Å; L4-T8 PolarHBondContact O-OG1 3.28Å; L4-P38 HydrophobicContact CD1-CB 3.95Å; L4-P38 HydrophobicContact CD1-CG 3.88Å; L4-F41 HydrophobicContact CD1-CE2 4.06Å; L4-T70 HydrophobicContact CD1-CG2 4.1Å; L4-T70 HydrophobicContact CD2-CG2 3.88Å; L4-T70 HydrophobicContact CG-CG2 4.39Å; L4-I107 HydrophobicContact CD2-CB 4.15Å; L4-I107 HydrophobicContact CD2-CD1 3.21Å; L4-I107 HydrophobicContact CD2-CG1 3.56Å; L4-I107 HydrophobicContact CD2-CG2 3.51Å
5I94.9Very high95.5Very high10 Ų1045.9 Ų45.95%0.05124%0.243CC..Hα-helixtrans-64.4-48.5-178.9-60.3156.2000111.7M1 L2 T8 I9 F56 I107 M108M1-I5 HydrophobicContact CB-CD1 3.84Å; M1-I5 WeakPolarHBondContact O-CG1 3.33Å; M1-I5 PolarHBondContact O-N 2.93Å; M1-I5 VanDerWaalsContact O-N 3.13Å; L2-I5 PolarHBondContact O-N 3.07Å; I5-T8 WeakPolarHBondContact CA-OG1 3.35Å; I5-T8 PolarHBondContact O-N 3.36Å; I5-T8 VanDerWaalsContact O-N 3.13Å; I5-T8 PolarHBondContact O-OG1 2.83Å; I5-I9 HydrophobicContact CG2-CD1 3.65Å; I5-I9 HydrophobicContact CG2-CG1 4.25Å; I5-I9 WeakPolarHBondContact O-CG1 3.4Å; I5-I9 PolarHBondContact O-N 2.8Å; I5-F56 HydrophobicContact CD1-CD2 4.45Å; I5-F56 HydrophobicContact CD1-CE2 4.2Å; I5-F56 HydrophobicContact CD1-CZ 4.31Å; I5-I107 HydrophobicContact CG1-CG2 4.03Å; I5-M108 HydrophobicContact CD1-CE 4.35Å; I5-M108 HydrophobicContact CD1-SD 3.21Å; I5-M108 WeakPolarHBondContact CD1-SD 3.48Å; I5-M108 HydrophobicContact CG1-SD 3.59Å; I5-M108 VanDerWaalsContact CG1-SD 3.59Å; I5-M108 HydrophobicContact CG2-SD 4.18Å
6V96.6Very high95.6Very high68 Ų6850.5 Ų50.541%0.41226%0.256SS..Hα-helixtrans-61.1-49.4-176.2173.20000111.6L2 T8 I9 M10L2-V6 HydrophobicContact CD2-CG2 4.24Å; L2-V6 WeakPolarHBondContact O-CB 3.24Å; L2-V6 WeakPolarHBondContact O-CG2 3.5Å; L2-V6 PolarHBondContact O-N 2.8Å; V6-T8 VanDerWaalsContact C-N 3.3Å; V6-T8 PolarHBondContact O-N 3.06Å; V6-I9 PolarHBondContact O-N 3.41Å; V6-M10 HydrophobicContact CG1-CG 4.43Å; V6-M10 VanDerWaalsContact O-CG 3.32Å; V6-M10 WeakPolarHBondContact O-CG 3.37Å; V6-M10 PolarHBondContact O-N 3.27Å
7P96.9Very high95.7Very high43 Ų4356.3 Ų56.328%0.27929%0.287SS..Hα-helixtrans-56.9-39.6173.1-29.137.6000113.8K3 L4 M10 L11 I34 I37K3-P7 VanDerWaalsContact O-CD 3.23Å; K3-P7 WeakPolarHBondContact O-CD 3.3Å; K3-P7 VanDerWaalsContact O-CG 3.22Å; K3-P7 WeakPolarHBondContact O-CG 3.23Å; L4-P7 WeakPolarHBondContact O-CD 3.25Å; P7-M10 PolarHBondContact O-N 3.04Å; P7-L11 PolarHBondContact O-N 3.02Å; P7-I34 HydrophobicContact CB-CD1 3.87Å; P7-I34 HydrophobicContact CB-CG1 3.76Å; P7-I37 HydrophobicContact CG-CD1 4.29Å
8T96.6Very high95.8Very high1 Ų153.9 Ų53.91%0.00628%0.276CS..Hα-helixtrans-66.8-38.4177.754.60000113L4 I5 V6 M10 L11 I34 I100 I107L4-T8 HydrophobicContact CD2-CG2 4.33Å; L4-T8 WeakPolarHBondContact O-CG2 3.47Å; L4-T8 PolarHBondContact O-N 3.12Å; L4-T8 PolarHBondContact O-OG1 3.28Å; I5-T8 WeakPolarHBondContact CA-OG1 3.35Å; I5-T8 PolarHBondContact O-N 3.36Å; I5-T8 VanDerWaalsContact O-N 3.13Å; I5-T8 PolarHBondContact O-OG1 2.83Å; V6-T8 VanDerWaalsContact C-N 3.3Å; V6-T8 PolarHBondContact O-N 3.06Å; T8-M10 VanDerWaalsContact C-N 3.31Å; T8-M10 PolarHBondContact O-N 3.27Å; T8-L11 WeakPolarHBondContact O-CB 3.24Å; T8-L11 PolarHBondContact O-N 3.12Å; T8-I34 HydrophobicContact CG2-CD1 4.11Å; T8-I34 HydrophobicContact CG2-CG2 3.75Å; T8-I100 WeakPolarHBondContact O-CG2 3.44Å; T8-I107 HydrophobicContact CG2-CD1 3.68Å
9I97.4Very high95.8Very high76 Ų7660.1 Ų60.139%0.3930%0.301SS..Hα-helixtrans-63.8-40.4172.8-66.5169.4000110.1I5 V6 L11 L12 P13 I104I5-I9 HydrophobicContact CG2-CD1 3.65Å; I5-I9 HydrophobicContact CG2-CG1 4.25Å; I5-I9 WeakPolarHBondContact O-CG1 3.4Å; I5-I9 PolarHBondContact O-N 2.8Å; V6-I9 PolarHBondContact O-N 3.41Å; I9-L11 PolarHBondContact O-N 3.44Å; I9-L12 WeakPolarHBondContact O-CB 3.33Å; I9-L12 PolarHBondContact O-N 3.45Å; I9-P13 VanDerWaalsContact O-CD 3.24Å; I9-P13 WeakPolarHBondContact O-CD 3.33Å; I9-I104 HydrophobicContact CG1-CD1 3.9Å; I9-I104 HydrophobicContact CG1-CG1 4.33Å; I9-I104 HydrophobicContact CG1-CG2 4.48Å
10M97.8Very high95.5Very high115 Ų11563.8 Ų63.857%0.56732%0.315SS*.Hα-helixtrans-66.4-14.1177.9-68.2-61.9176.200113.9V6 P7 T8 L12 P13 L14V6-M10 HydrophobicContact CG1-CG 4.43Å; V6-M10 VanDerWaalsContact O-CG 3.32Å; V6-M10 WeakPolarHBondContact O-CG 3.37Å; V6-M10 PolarHBondContact O-N 3.27Å; P7-M10 PolarHBondContact O-N 3.04Å; T8-M10 VanDerWaalsContact C-N 3.31Å; T8-M10 PolarHBondContact O-N 3.27Å; M10-L12 PolarHBondContact O-N 3.17Å; M10-P13 VanDerWaalsContact O-CD 3.31Å; M10-P13 WeakPolarHBondContact O-CD 3.29Å; M10-P13 WeakPolarHBondContact O-CG 3.49Å; M10-P13 HydrophobicContact SD-CG 4.15Å; M10-L14 WeakPolarHBondContact O-CB 3.34Å; M10-L14 PolarHBondContact O-N 3.34Å
11L97.8Very high95.3Very high4 Ų468 Ų682%0.02133%0.334CS..Hα-helixtrans-64.9-29.4168-66.6176.7000112P7 T8 I9 L14 T15 H30 I34 L73 I100P7-L11 PolarHBondContact O-N 3.02Å; T8-L11 WeakPolarHBondContact O-CB 3.24Å; T8-L11 PolarHBondContact O-N 3.12Å; I9-L11 PolarHBondContact O-N 3.44Å; L11-L14 WeakPolarHBondContact O-CB 3.37Å; L11-L14 PolarHBondContact O-N 2.85Å; L11-T15 WeakPolarHBondContact O-CG2 3.35Å; L11-T15 PolarHBondContact O-N 3.28Å; L11-H30 HydrophobicContact CD2-CB 3.65Å; L11-I34 HydrophobicContact CD1-CD1 3.69Å; L11-I34 HydrophobicContact CD2-CD1 4.03Å; L11-I34 HydrophobicContact CG-CD1 3.77Å; L11-L73 HydrophobicContact CD1-CD2 4.06Å; L11-I100 HydrophobicContact CB-CD1 3.68Å; L11-I100 HydrophobicContact CB-CG1 4.08Å; L11-I100 HydrophobicContact CB-CG2 3.94Å; L11-I100 HydrophobicContact CD1-CG1 4.22Å
12L97.8Very high95.6Very high53 Ų5371.7 Ų71.728%0.27735%0.352SS..Hα-helixtrans-60.6-61177.3-67171.8000111.8I9 M10 L14 T15 W16 I100 I104I9-L12 WeakPolarHBondContact O-CB 3.33Å; I9-L12 PolarHBondContact O-N 3.45Å; M10-L12 PolarHBondContact O-N 3.17Å; L12-L14 PolarHBondContact O-N 2.97Å; L12-T15 PolarHBondContact O-N 3.38Å; L12-T15 PolarHBondContact O-OG1 2.68Å; L12-W16 VanDerWaalsContact O-CD1 3.3Å; L12-W16 PolarHBondContact O-N 3.3Å; L12-I100 HydrophobicContact CD2-CB 4.1Å; L12-I100 HydrophobicContact CD2-CG2 3.83Å; L12-I100 HydrophobicContact CG-CG2 3.88Å; L12-I104 HydrophobicContact CD1-CD1 4.29Å
13P97.4Very high95.9Very high55 Ų5566.4 Ų66.436%0.35732%0.324SS..Hα-helixtrans-59.4-33.8177.423.4-32.5000111.7I9 M10 T15 W16 L17I9-P13 VanDerWaalsContact O-CD 3.24Å; I9-P13 WeakPolarHBondContact O-CD 3.33Å; M10-P13 VanDerWaalsContact O-CD 3.31Å; M10-P13 WeakPolarHBondContact O-CD 3.29Å; M10-P13 WeakPolarHBondContact O-CG 3.49Å; M10-P13 HydrophobicContact SD-CG 4.15Å; P13-T15 PolarHBondContact O-N 2.97Å; P13-W16 PolarHBondContact O-N 3.23Å; P13-L17 HydrophobicContact CB-CD1 4.35Å; P13-L17 VanDerWaalsContact O-CB 3.28Å; P13-L17 WeakPolarHBondContact O-CB 3.28Å; P13-L17 VanDerWaalsContact O-CG 3.28Å; P13-L17 WeakPolarHBondContact O-CG 3.5Å; P13-L17 PolarHBondContact O-N 3.22Å
14L97.5Very high96.1Very high38 Ų3863.3 Ų63.320%0.19931%0.31CS..Hα-helixtrans-60.1-42174.6-177.4145.9000112.8M10 L11 L12 W16 S18 N26 T27 H30M10-L14 WeakPolarHBondContact O-CB 3.34Å; M10-L14 PolarHBondContact O-N 3.34Å; L11-L14 WeakPolarHBondContact O-CB 3.37Å; L11-L14 PolarHBondContact O-N 2.85Å; L12-L14 PolarHBondContact O-N 2.97Å; L14-W16 VanDerWaalsContact C-N 3.34Å; L14-W16 PolarHBondContact O-N 3.45Å; L14-S18 WeakPolarHBondContact O-CB 3.15Å; L14-S18 PolarHBondContact O-N 3.28Å; L14-S18 VanDerWaalsContact O-N 3.1Å; L14-S18 PolarHBondContact O-OG 2.89Å; L14-N26 HydrophobicContact CD2-CB 3.8Å; L14-N26 HydrophobicContact CG-CB 4.44Å; L14-T27 HydrophobicContact CD2-CG2 3.7Å; L14-H30 HydrophobicContact CD1-CB 4.27Å; L14-H30 WeakPolarHBondContact CD1-CD2 3.42Å
15T96.9Very high96.3Very high0 Ų067.7 Ų67.70%033%0.332CS..Hα-helixtrans-65.8-37.8176.567.70000112.3L11 L12 P13 S18 T27 K93 L96 I100L11-T15 WeakPolarHBondContact O-CG2 3.35Å; L11-T15 PolarHBondContact O-N 3.28Å; L12-T15 PolarHBondContact O-N 3.38Å; L12-T15 PolarHBondContact O-OG1 2.68Å; P13-T15 PolarHBondContact O-N 2.97Å; T15-S18 PolarHBondContact O-OG 2.89Å; T15-S18 VanDerWaalsContact O-OG 3.05Å; T15-T27 HydrophobicContact CG2-CG2 3.36Å; T15-K93 VanDerWaalsContact O-CE 3.26Å; T15-K93 WeakPolarHBondContact O-CE 3.29Å; T15-L96 HydrophobicContact CG2-CB 4.25Å; T15-I100 HydrophobicContact CG2-CD1 3.27Å
16W97.3Very high96.4Very high119 Ų11969.7 Ų69.745%0.45134%0.343SS..Hα-helixtrans-81.3-34-175.4-77.194.6000112.7L12 P13 L14 K93 L94L12-W16 VanDerWaalsContact O-CD1 3.3Å; L12-W16 PolarHBondContact O-N 3.3Å; P13-W16 PolarHBondContact O-N 3.23Å; L14-W16 VanDerWaalsContact C-N 3.34Å; L14-W16 PolarHBondContact O-N 3.45Å; W16-K93 HydrophobicContact CD2-CB 4.45Å; W16-K93 HydrophobicContact CD2-CD 4.43Å; W16-K93 HydrophobicContact CE3-CD 4.07Å; W16-K93 HydrophobicContact CZ2-CB 4.46Å; W16-K93 PolarHBondContact O-NZ 3.17Å; W16-L94 HydrophobicContact CH2-CD2 4.11Å; W16-L94 HydrophobicContact CH2-CG 4.25Å; W16-L94 HydrophobicContact CZ2-CD2 3.85Å; W16-L94 HydrophobicContact CZ2-CG 4.25Å
17L96.9Very high96.4Very high149 Ų14966.5 Ų66.578%0.7832%0.323SS*.Hα-helixtrans-88.4-15.5-179.6-62.7173.9000113.6P13P13-L17 HydrophobicContact CB-CD1 4.35Å; P13-L17 VanDerWaalsContact O-CB 3.28Å; P13-L17 WeakPolarHBondContact O-CB 3.28Å; P13-L17 VanDerWaalsContact O-CG 3.28Å; P13-L17 WeakPolarHBondContact O-CG 3.5Å; P13-L17 PolarHBondContact O-N 3.22Å
18S96.9Very high96.5Very high13 Ų1365.1 Ų65.19%0.09131%0.314CS..SBendtrans-67.6144.117948.10000113.3L14 T15 I23L14-S18 WeakPolarHBondContact O-CB 3.15Å; L14-S18 PolarHBondContact O-N 3.28Å; L14-S18 VanDerWaalsContact O-N 3.1Å; L14-S18 PolarHBondContact O-OG 2.89Å; T15-S18 PolarHBondContact O-OG 2.89Å; T15-S18 VanDerWaalsContact O-OG 3.05Å; S18-I23 WeakPolarHBondContact OG-CG1 3.46Å
19K95.3Very high96.5Very high172 Ų17267.9 Ų67.975%0.74833%0.331SS*.  trans-62.4149.3173.3-65.2-178.7-179177.90110.4H21 M22 I23K19-H21 VanDerWaalsContact C-N 3.29Å; K19-H21 PolarHBondContact O-N 3.43Å; K19-H21 VanDerWaalsContact O-N 3.08Å; K19-M22 HydrophobicContact CB-CB 4.46Å; K19-M22 HydrophobicContact CB-CG 4.45Å; K19-M22 PolarHBondContact O-N 3.14Å; K19-I23 WeakPolarHBondContact O-CG1 3.19Å; K19-I23 PolarHBondContact O-N 3.04Å
20K91.4Very high96.5Very high133 Ų13368.1 Ų68.158%0.57833%0.331SS*.THydrogen-bonded Turntrans-45.6-44.4-175.1179.5176.3178.9-173.60115.1L89K20-L89 HydrophobicContact CB-CD1 4.23Å; K20-L89 HydrophobicContact CB-CD2 4.16Å; K20-L89 HydrophobicContact CG-CD1 3.83Å; K20-L89 HydrophobicContact CG-CD2 4.28Å
21H90.9Very high96.4Very high153 Ų15362.7 Ų62.771%0.70830%0.304SS*.THydrogen-bonded Turntrans-80.7-23.3-178.6-61.4-77.3000113.5K19K19-H21 VanDerWaalsContact C-N 3.29Å; K19-H21 PolarHBondContact O-N 3.43Å; K19-H21 VanDerWaalsContact O-N 3.08Å
22M95.7Very high96.4Very high89 Ų8964.6 Ų64.644%0.43831%0.314SS..THydrogen-bonded Turntrans-93.6-8.8-173.8-64.1-58.8-172.500113.6K19 W24 I25 N26K19-M22 HydrophobicContact CB-CB 4.46Å; K19-M22 HydrophobicContact CB-CG 4.45Å; K19-M22 PolarHBondContact O-N 3.14Å; M22-W24 VanDerWaalsContact C-N 3.35Å; M22-W24 PolarHBondContact O-N 3.11Å; M22-I25 PolarHBondContact O-N 3.39Å; M22-I25 HydrophobicContact SD-CD1 4.03Å; M22-N26 WeakPolarHBondContact O-CB 3.38Å; M22-N26 VanDerWaalsContact O-CG 3.3Å; M22-N26 PolarHBondContact O-N 3.27Å; M22-N26 PolarHBondContact O-OD1 3.48Å
23I96.8Very high96.3Very high2 Ų266.8 Ų66.81%0.0133%0.325CS..Hα-helixtrans-56.1-50.3-174.8-49.9-176000110.9S18 K19 T27 L89 K93 L96S18-I23 WeakPolarHBondContact OG-CG1 3.46Å; K19-I23 WeakPolarHBondContact O-CG1 3.19Å; K19-I23 PolarHBondContact O-N 3.04Å; I23-T27 VanDerWaalsContact O-CB 3.32Å; I23-T27 WeakPolarHBondContact O-CB 3.46Å; I23-T27 WeakPolarHBondContact O-CG2 3.44Å; I23-T27 PolarHBondContact O-N 2.78Å; I23-T27 PolarHBondContact O-OG1 3.3Å; I23-L89 HydrophobicContact CD1-CD1 3.34Å; I23-L89 HydrophobicContact CD1-CG 4.26Å; I23-K93 HydrophobicContact CD1-CD 4.28Å; I23-K93 HydrophobicContact CD1-CG 3.9Å; I23-L96 HydrophobicContact CG2-CD1 3.44Å; I23-L96 VanDerWaalsContact CG2-CD1 3.44Å
24W96.2Very high96.3Very high37 Ų3764.5 Ų64.514%0.1431%0.309CS..Hα-helixtrans-68.3-39.4-179.1-62.8108.6000112.5M22 T27 T28 I77 Q81 L84 K92 L96M22-W24 VanDerWaalsContact C-N 3.35Å; M22-W24 PolarHBondContact O-N 3.11Å; W24-T27 PolarHBondContact O-OG1 3.21Å; W24-T28 WeakPolarHBondContact O-CB 3.41Å; W24-T28 VanDerWaalsContact O-CG2 3.24Å; W24-T28 WeakPolarHBondContact O-CG2 3.3Å; W24-T28 PolarHBondContact O-N 3.06Å; W24-T28 PolarHBondContact O-OG1 3.33Å; W24-I77 HydrophobicContact CE3-CG2 3.52Å; W24-I77 HydrophobicContact CZ3-CG2 3.84Å; W24-Q81 HydrophobicContact CB-CG 4.22Å; W24-Q81 HydrophobicContact CD2-CG 3.43Å; W24-Q81 VanDerWaalsContact CD2-CG 3.43Å; W24-Q81 HydrophobicContact CE3-CB 4.45Å; W24-Q81 HydrophobicContact CE3-CG 3.23Å; W24-Q81 HydrophobicContact CG-CG 3.87Å; W24-Q81 HydrophobicContact CH2-CG 4.27Å; W24-Q81 HydrophobicContact CZ2-CG 4.43Å; W24-Q81 HydrophobicContact CZ3-CG 3.67Å; W24-L84 HydrophobicContact CH2-CB 4.41Å; W24-L84 HydrophobicContact CH2-CD1 3.78Å; W24-L84 HydrophobicContact CZ2-CB 4.25Å; W24-L84 HydrophobicContact CZ2-CD1 4.36Å; W24-K92 HydrophobicContact CZ2-CB 4.45Å; W24-K92 HydrophobicContact CZ2-CG 4.32Å; W24-L96 HydrophobicContact CD2-CD1 4.48Å; W24-L96 HydrophobicContact CE3-CD1 4.22Å; W24-L96 HydrophobicContact CE3-CD2 3.99Å; W24-L96 HydrophobicContact CH2-CD1 4.49Å; W24-L96 HydrophobicContact CH2-CD2 4.22Å; W24-L96 HydrophobicContact CH2-CG 4.33Å; W24-L96 HydrophobicContact CZ3-CD1 4.25Å; W24-L96 HydrophobicContact CZ3-CD2 3.58Å; W24-L96 HydrophobicContact CZ3-CG 4.12Å
25I96.9Very high96.1Very high92 Ų9263 Ų6347%0.47230%0.302SS..Hα-helixtrans-67-54.3-180-61.3170.9000109.6M22 T27 T28 T29M22-I25 PolarHBondContact O-N 3.39Å; M22-I25 HydrophobicContact SD-CD1 4.03Å; I25-T27 VanDerWaalsContact C-N 3.34Å; I25-T27 PolarHBondContact O-N 3.46Å; I25-T28 PolarHBondContact O-N 3.11Å; I25-T28 PolarHBondContact O-OG1 2.87Å; I25-T29 HydrophobicContact CG2-CG2 4.3Å; I25-T29 WeakPolarHBondContact O-CG2 3.09Å; I25-T29 PolarHBondContact O-N 3.27Å; I25-T29 PolarHBondContact O-OG1 3.02Å; I25-T29 VanDerWaalsContact O-OG1 3.12Å
26N97.5Very high95.9Very high51 Ų5168.1 Ų68.127%0.27333%0.328SS..Hα-helixtrans-62.6-41.6-178-63.7-0000111.4L14 M22 T29 H30L14-N26 HydrophobicContact CD2-CB 3.8Å; L14-N26 HydrophobicContact CG-CB 4.44Å; M22-N26 WeakPolarHBondContact O-CB 3.38Å; M22-N26 VanDerWaalsContact O-CG 3.3Å; M22-N26 PolarHBondContact O-N 3.27Å; M22-N26 PolarHBondContact O-OD1 3.48Å; N26-T29 WeakPolarHBondContact CA-OG1 3.32Å; N26-T29 PolarHBondContact O-OG1 3.32Å; N26-T29 VanDerWaalsContact O-OG1 3.07Å; N26-H30 WeakPolarHBondContact O-CB 3.26Å; N26-H30 PolarHBondContact O-CD2 3.02Å; N26-H30 PolarHBondContact O-N 3.27Å
27T97.3Very high95.6Very high1 Ų164.1 Ų64.11%0.00632%0.315CS..Hα-helixtrans-67.3-39179.151.70000112.6L14 T15 I23 W24 I25 S31 L96L14-T27 HydrophobicContact CD2-CG2 3.7Å; T15-T27 HydrophobicContact CG2-CG2 3.36Å; I23-T27 VanDerWaalsContact O-CB 3.32Å; I23-T27 WeakPolarHBondContact O-CB 3.46Å; I23-T27 WeakPolarHBondContact O-CG2 3.44Å; I23-T27 PolarHBondContact O-N 2.78Å; I23-T27 PolarHBondContact O-OG1 3.3Å; W24-T27 PolarHBondContact O-OG1 3.21Å; I25-T27 VanDerWaalsContact C-N 3.34Å; I25-T27 PolarHBondContact O-N 3.46Å; T27-S31 VanDerWaalsContact O-CB 3.23Å; T27-S31 WeakPolarHBondContact O-CB 3.45Å; T27-S31 PolarHBondContact O-N 2.85Å; T27-S31 VanDerWaalsContact O-N 3.1Å; T27-S31 PolarHBondContact O-OG 2.89Å; T27-L96 HydrophobicContact CG2-CD1 4.41Å
28T97.4Very high95.2Very high14 Ų1457.1 Ų57.19%0.08628%0.279CS..Hα-helixtrans-68.1-44.5175.450.10000112.2W24 I25 S31 L32 I77 M78W24-T28 WeakPolarHBondContact O-CB 3.41Å; W24-T28 VanDerWaalsContact O-CG2 3.24Å; W24-T28 WeakPolarHBondContact O-CG2 3.3Å; W24-T28 PolarHBondContact O-N 3.06Å; W24-T28 PolarHBondContact O-OG1 3.33Å; I25-T28 PolarHBondContact O-N 3.11Å; I25-T28 PolarHBondContact O-OG1 2.87Å; T28-S31 WeakPolarHBondContact CA-OG 3.46Å; T28-S31 PolarHBondContact O-N 2.72Å; T28-S31 PolarHBondContact O-OG 3.21Å; T28-L32 WeakPolarHBondContact O-CB 3.33Å; T28-L32 WeakPolarHBondContact O-CG 3.46Å; T28-L32 PolarHBondContact O-N 3.13Å; T28-I77 HydrophobicContact CG2-CB 3.9Å; T28-I77 HydrophobicContact CG2-CG2 3.38Å; T28-M78 HydrophobicContact CG2-CG 4.07Å
29T96.8Very high94.7Very high59 Ų5960.5 Ų60.536%0.36230%0.296SS..Hα-helixtrans-64.7-48.3-178.9560000111.7I25 N26 S31 L32 I33I25-T29 HydrophobicContact CG2-CG2 4.3Å; I25-T29 WeakPolarHBondContact O-CG2 3.09Å; I25-T29 PolarHBondContact O-N 3.27Å; I25-T29 PolarHBondContact O-OG1 3.02Å; I25-T29 VanDerWaalsContact O-OG1 3.12Å; N26-T29 WeakPolarHBondContact CA-OG1 3.32Å; N26-T29 PolarHBondContact O-OG1 3.32Å; N26-T29 VanDerWaalsContact O-OG1 3.07Å; T29-S31 PolarHBondContact O-N 2.88Å; T29-L32 PolarHBondContact O-N 3.32Å; T29-I33 WeakPolarHBondContact O-CG1 3.47Å; T29-I33 PolarHBondContact O-N 2.89Å
30H97.3Very high94.3Very high82 Ų8257.8 Ų57.838%0.3829%0.289SS..Hα-helixtrans-69.9-32-179.5-72.7-73.9000112.9L11 L14 N26 I33 I34L11-H30 HydrophobicContact CD2-CB 3.65Å; L14-H30 HydrophobicContact CD1-CB 4.27Å; L14-H30 WeakPolarHBondContact CD1-CD2 3.42Å; N26-H30 WeakPolarHBondContact O-CB 3.26Å; N26-H30 PolarHBondContact O-CD2 3.02Å; N26-H30 PolarHBondContact O-N 3.27Å; H30-I33 PolarHBondContact O-N 3.13Å; H30-I34 VanDerWaalsContact O-CG1 3.28Å; H30-I34 WeakPolarHBondContact O-CG1 3.49Å; H30-I34 PolarHBondContact O-N 3.43Å
31S97.4Very high93.7Very high0 Ų051.8 Ų51.80%026%0.263CS..Hα-helixtrans-72-33.8173.658.10000113.4T27 T28 T29 I33 I34 S35 P74T27-S31 VanDerWaalsContact O-CB 3.23Å; T27-S31 WeakPolarHBondContact O-CB 3.45Å; T27-S31 PolarHBondContact O-N 2.85Å; T27-S31 VanDerWaalsContact O-N 3.1Å; T27-S31 PolarHBondContact O-OG 2.89Å; T28-S31 WeakPolarHBondContact CA-OG 3.46Å; T28-S31 PolarHBondContact O-N 2.72Å; T28-S31 PolarHBondContact O-OG 3.21Å; T29-S31 PolarHBondContact O-N 2.88Å; S31-I33 VanDerWaalsContact C-N 3.35Å; S31-I34 PolarHBondContact O-N 3.44Å; S31-S35 PolarHBondContact O-N 3.31Å; S31-P74 WeakPolarHBondContact OG-CB 3.3Å
32L96.5Very high92.9Very high45 Ų4547.3 Ų47.324%0.23624%0.241CC..Hα-helixtrans-61.6-43.3168.5-75.8168.2000111.1T28 T29 I34 S35 I36 W71 P74 M78T28-L32 WeakPolarHBondContact O-CB 3.33Å; T28-L32 WeakPolarHBondContact O-CG 3.46Å; T28-L32 PolarHBondContact O-N 3.13Å; T29-L32 PolarHBondContact O-N 3.32Å; L32-I34 VanDerWaalsContact C-N 3.28Å; L32-I34 PolarHBondContact O-N 3.04Å; L32-S35 WeakPolarHBondContact O-CB 3.49Å; L32-S35 PolarHBondContact O-N 3.29Å; L32-S35 VanDerWaalsContact O-N 3.11Å; L32-S35 PolarHBondContact O-OG 3.34Å; L32-I36 PolarHBondContact O-N 3.47Å; L32-W71 HydrophobicContact CD2-CZ3 4.39Å; L32-P74 HydrophobicContact CD2-CB 3.74Å; L32-P74 HydrophobicContact CD2-CG 3.69Å; L32-P74 HydrophobicContact CG-CB 3.69Å; L32-P74 HydrophobicContact CG-CG 4.02Å; L32-M78 HydrophobicContact CD1-CE 4.34Å
33I96.1Very high91.4Very high99 Ų9949.2 Ų49.251%0.50825%0.253SS..Hα-helixtrans-58.9-42.6174.6-65.9165.7000110.7T29 H30 S31 S35 I36T29-I33 WeakPolarHBondContact O-CG1 3.47Å; T29-I33 PolarHBondContact O-N 2.89Å; H30-I33 PolarHBondContact O-N 3.13Å; S31-I33 VanDerWaalsContact C-N 3.35Å; I33-S35 VanDerWaalsContact C-N 3.31Å; I33-S35 PolarHBondContact O-N 3.01Å; I33-I36 PolarHBondContact O-N 2.91Å
34I96.4Very high89.8Confident6 Ų650.8 Ų50.83%0.03126%0.261CS..Hα-helixtrans-63.2-37.5176.7-69.2163.2000111.7P7 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 4.11Å; T8-I34 HydrophobicContact CG2-CG2 3.75Å; L11-I34 HydrophobicContact CD1-CD1 3.69Å; L11-I34 HydrophobicContact CD2-CD1 4.03Å; L11-I34 HydrophobicContact CG-CD1 3.77Å; H30-I34 VanDerWaalsContact O-CG1 3.28Å; H30-I34 WeakPolarHBondContact O-CG1 3.49Å; H30-I34 PolarHBondContact O-N 3.43Å; S31-I34 PolarHBondContact O-N 3.44Å; L32-I34 VanDerWaalsContact C-N 3.28Å; L32-I34 PolarHBondContact O-N 3.04Å; I34-I36 PolarHBondContact O-N 3.45Å; I34-I37 HydrophobicContact CG1-CD1 4.49Å; I34-I37 WeakPolarHBondContact O-CB 3.49Å; I34-I37 PolarHBondContact O-N 3Å; I34-I37 VanDerWaalsContact O-N 3.09Å; I34-P38 WeakPolarHBondContact O-CD 3.44Å
35S95.1Very high87.9Confident7 Ų755.9 Ų55.95%0.04929%0.289CS..Hα-helixtrans-63.9-19.4179.576.10000114.2S31 L32 I33 P38S31-S35 PolarHBondContact O-N 3.31Å; L32-S35 WeakPolarHBondContact O-CB 3.49Å; L32-S35 PolarHBondContact O-N 3.29Å; L32-S35 VanDerWaalsContact O-N 3.11Å; L32-S35 PolarHBondContact O-OG 3.34Å; I33-S35 VanDerWaalsContact C-N 3.31Å; I33-S35 PolarHBondContact O-N 3.01Å; S35-P38 WeakPolarHBondContact O-CD 3.41Å
36I92.4Very high85.9Confident107 Ų10756 Ų5655%0.54929%0.291SS..Hα-helixtrans-79-30.9175.5-61.3167.4000111.1L32 I33 I34 L39L32-I36 PolarHBondContact O-N 3.47Å; I33-I36 PolarHBondContact O-N 2.91Å; I34-I36 PolarHBondContact O-N 3.45Å; I36-L39 HydrophobicContact CG2-CD1 4.26Å; I36-L39 VanDerWaalsContact O-CB 3.29Å; I36-L39 WeakPolarHBondContact O-CB 3.44Å; I36-L39 WeakPolarHBondContact O-CG 3.47Å; I36-L39 PolarHBondContact O-N 2.7Å; I36-L39 VanDerWaalsContact O-N 3.16Å
37I90.6Very high83.8Confident35 Ų3561.1 Ų61.118%0.17932%0.318CS..G310 helixtrans-56.7-44.9-176.8-58.8173.3000113K3 P7 I34 L39 L40K3-I37 HydrophobicContact CD-CG2 4.39Å; K3-I37 HydrophobicContact CG-CG2 4.32Å; P7-I37 HydrophobicContact CG-CD1 4.29Å; I34-I37 HydrophobicContact CG1-CD1 4.49Å; I34-I37 WeakPolarHBondContact O-CB 3.49Å; I34-I37 PolarHBondContact O-N 3Å; I34-I37 VanDerWaalsContact O-N 3.09Å; I37-L39 PolarHBondContact O-N 3.49Å; I37-L40 HydrophobicContact CG2-CD1 4.43Å; I37-L40 VanDerWaalsContact O-CB 3.3Å; I37-L40 WeakPolarHBondContact O-CB 3.43Å; I37-L40 WeakPolarHBondContact O-CG 3.34Å; I37-L40 PolarHBondContact O-N 3.15Å; I37-L40 VanDerWaalsContact O-N 3.12Å
38P87.9Confident81.9Confident3 Ų367.5 Ų67.52%0.01935%0.352CS..G310 helixtrans-65.6-15.9-178.812.2-18.9000115.1L4 I34 S35 L40 F41 T70L4-P38 HydrophobicContact CD1-CB 3.95Å; L4-P38 HydrophobicContact CD1-CG 3.88Å; I34-P38 WeakPolarHBondContact O-CD 3.44Å; S35-P38 WeakPolarHBondContact O-CD 3.41Å; P38-L40 PolarHBondContact O-N 3.33Å; P38-L40 VanDerWaalsContact O-N 3.15Å; P38-F41 HydrophobicContact CB-CD2 4.03Å; P38-F41 HydrophobicContact CB-CE2 4.45Å; P38-F41 WeakPolarHBondContact O-CB 3.35Å; P38-F41 PolarHBondContact O-N 3.11Å; P38-T70 HydrophobicContact CG-CG2 4.05Å; P38-T70 WeakPolarHBondContact CG-OG1 3.37Å
39L87.4Confident80.2Confident83 Ų8369.6 Ų69.644%0.43536%0.363SS..G310 helixtrans-58.3-27.4172.1-61.5176.4000112I36 I37 F41 F42 M67I36-L39 HydrophobicContact CG2-CD1 4.26Å; I36-L39 VanDerWaalsContact O-CB 3.29Å; I36-L39 WeakPolarHBondContact O-CB 3.44Å; I36-L39 WeakPolarHBondContact O-CG 3.47Å; I36-L39 PolarHBondContact O-N 2.7Å; I36-L39 VanDerWaalsContact O-N 3.16Å; I37-L39 PolarHBondContact O-N 3.49Å; L39-F41 PolarHBondContact O-N 3.33Å; L39-F42 HydrophobicContact CD2-CD2 4.05Å; L39-F42 HydrophobicContact CD2-CE2 3.73Å; L39-F42 PolarHBondContact O-N 3.21Å; L39-M67 HydrophobicContact CD2-CE 4.02Å; L39-M67 HydrophobicContact CD2-SD 4.04Å
40L85.6Confident78.4Confident116 Ų11671.7 Ų71.761%0.60737%0.367SS*.G310 helixtrans-64.4-18.8175.4-60.5171.3000113.3I37 P38I37-L40 HydrophobicContact CG2-CD1 4.43Å; I37-L40 VanDerWaalsContact O-CB 3.3Å; I37-L40 WeakPolarHBondContact O-CB 3.43Å; I37-L40 WeakPolarHBondContact O-CG 3.34Å; I37-L40 PolarHBondContact O-N 3.15Å; I37-L40 VanDerWaalsContact O-N 3.12Å; P38-L40 PolarHBondContact O-N 3.33Å; P38-L40 VanDerWaalsContact O-N 3.15Å
41F79.3Confident76.9Confident7 Ų771.3 Ų71.33%0.03137%0.374CS..G310 helixtrans-87.1-2.6179.1-59.6-66.2000113.2M1 K3 L4 P38 L39 N43 Q44 T63M1-F41 HydrophobicContact CE-CD1 4.1Å; M1-F41 HydrophobicContact CE-CE1 3.69Å; M1-F41 HydrophobicContact CE-CE2 4.26Å; M1-F41 HydrophobicContact CE-CZ 3.78Å; M1-F41 HydrophobicContact SD-CE1 3.85Å; M1-F41 HydrophobicContact SD-CE2 3.85Å; M1-F41 HydrophobicContact SD-CZ 3.35Å; M1-F41 WeakPolarHBondContact SD-CZ 3.27Å; K3-F41 HydrophobicContact CD-CZ 4.26Å; K3-F41 HydrophobicContact CG-CZ 4.3Å; L4-F41 HydrophobicContact CD1-CE2 4.06Å; P38-F41 HydrophobicContact CB-CD2 4.03Å; P38-F41 HydrophobicContact CB-CE2 4.45Å; P38-F41 WeakPolarHBondContact O-CB 3.35Å; P38-F41 PolarHBondContact O-N 3.11Å; L39-F41 PolarHBondContact O-N 3.33Å; F41-N43 PolarHBondContact O-N 2.9Å; F41-Q44 WeakPolarHBondContact O-CG 3.19Å; F41-T63 HydrophobicContact CB-CG2 3.7Å
42F74.8Confident75.5Confident58 Ų5873.9 Ų73.925%0.25439%0.391SS..G310 helixtrans-74.4-11.5175.3-75.2-55.3000114.2L39 Q44 M67 I453L39-F42 HydrophobicContact CD2-CD2 4.05Å; L39-F42 HydrophobicContact CD2-CE2 3.73Å; L39-F42 PolarHBondContact O-N 3.21Å; F42-Q44 PolarHBondContact O-N 3Å; F42-M67 HydrophobicContact CE2-SD 3.54Å; F42-M67 VanDerWaalsContact CE2-SD 3.54Å; F42-M67 HydrophobicContact CZ-CB 4.4Å; F42-M67 HydrophobicContact CZ-SD 3.55Å; F42-M67 VanDerWaalsContact CZ-SD 3.55Å; F42-I453 HydrophobicContact CD1-CG2 3.42Å; F42-I453 VanDerWaalsContact CD1-CG2 3.42Å; F42-I453 HydrophobicContact CD2-CG2 4.3Å; F42-I453 HydrophobicContact CE1-CB 4.41Å; F42-I453 HydrophobicContact CE1-CG2 3.03Å; F42-I453 HydrophobicContact CE2-CG2 3.95Å; F42-I453 HydrophobicContact CG-CG2 4.07Å; F42-I453 HydrophobicContact CZ-CG2 3.32Å
43N63.4Low74.9Confident129 Ų12973.5 Ų73.569%0.6939%0.392SS*.  trans-8058.6173.1-16422.2000111.1F41F41-N43 PolarHBondContact O-N 2.9Å
44Q62.6Low74.4Confident36 Ų3674 Ų7417%0.16840%0.402CS..  trans-90.8110.4172.6-76.5176.4-6.200108.3F41 F42 N46 F50 S58 D59F41-Q44 WeakPolarHBondContact O-CG 3.19Å; F42-Q44 PolarHBondContact O-N 3Å; Q44-N46 PolarHBondContact O-N 3.21Å; Q44-F50 HydrophobicContact CG-CB 4.44Å; Q44-S58 VanDerWaalsContact NE2-C 3.29Å; Q44-S58 PolarHBondContact NE2-O 3.22Å; Q44-D59 VanDerWaalsContact OE1-C 3.22Å
45I56.4Low74.1Confident143 Ų14376.7 Ų76.773%0.73342%0.418SS*.  trans-72.4128.6171.7-61.9167000107.2N47 N48I45-N47 PolarHBondContact O-N 3.4Å; I45-N48 PolarHBondContact O-N 3.3Å
46N55.3Low73.9Confident96 Ų9677.3 Ų77.351%0.51342%0.42SS..THydrogen-bonded Turntrans-539.2-157.3-112.313.4000120.2Q44 S459Q44-N46 PolarHBondContact O-N 3.21Å; N46-S459 PolarHBondContact ND2-O 3.48Å; N46-S459 PolarHBondContact ND2-OXT 3.24Å; N46-S459 PolarHBondContact OD1-O 2.87Å; N46-S459 VanDerWaalsContact OD1-O 3.12Å; N46-S459 PolarHBondContact OD1-OG 3.09Å
47N52.9Low73.8Confident157 Ų15772.2 Ų72.284%0.8439%0.394SS*.THydrogen-bonded Turntrans-139.9-14.5-177.5-82.5-31.8000116.3I45I45-N47 PolarHBondContact O-N 3.4Å
48N58.2Low73.7Confident136 Ų13670.6 Ų70.673%0.72739%0.386SS*.SBendtrans-115.4120.9-179.3-74.2-10.5000110.6I45 F50I45-N48 PolarHBondContact O-N 3.3Å; N48-F50 PolarHBondContact O-N 3.07Å
49L61.1Low73.7Confident58 Ų5870.4 Ų70.430%0.30439%0.385SS..  trans-46.4123.2164.7-60.3159.8000107.1S51 D59 L177 F457L49-S51 PolarHBondContact O-N 3.19Å; L49-D59 WeakPolarHBondContact CB-OD1 3.31Å; L49-D59 HydrophobicContact CD2-CB 3.7Å; L49-D59 WeakPolarHBondContact CD2-OD1 3.37Å; L49-D59 VanDerWaalsContact CD2-OD2 3.27Å; L49-D59 WeakPolarHBondContact CD2-OD2 3.44Å; L49-L177 HydrophobicContact CB-CD2 3.86Å; L49-L177 HydrophobicContact CD1-CD2 3.18Å; L49-L177 HydrophobicContact CG-CD2 4.06Å; L49-F457 HydrophobicContact CD2-CE1 4.13Å
50F60.1Low73.7Confident102 Ų10267.8 Ų67.845%0.44737%0.373SS..EExtended strand (participates in β ladder)trans-76.581.9-176.9-164.3-88.2000108Q44 N48 C52 S58Q44-F50 HydrophobicContact CG-CB 4.44Å; N48-F50 PolarHBondContact O-N 3.07Å; F50-C52 PolarHBondContact O-N 3.3Å; F50-S58 WeakPolarHBondContact CA-O 3.31Å; F50-S58 WeakPolarHBondContact CB-O 3.27Å; F50-S58 PolarHBondContact N-O 2.97Å; F50-S58 PolarHBondContact O-N 3.16Å
51S64.5Low73.9Confident75 Ų7562.3 Ų62.352%0.52434%0.344SS..EExtended strand (participates in β ladder)trans-72.5105.8175.359.80000108.8L49L49-S51 PolarHBondContact O-N 3.19Å
52C68.8Low74.5Confident53 Ų5362 Ų6236%0.35834%0.343SS..  trans-77-39.7174.2-69.70000111.5F50 F56F50-C52 PolarHBondContact O-N 3.3Å; C52-F56 WeakPolarHBondContact CB-O 3.19Å; C52-F56 PolarHBondContact N-O 3.47Å; C52-F56 VanDerWaalsContact N-O 3.16Å
53S84.7Confident75.3Confident38 Ų3859.5 Ų59.527%0.26633%0.332SS..SBendtrans-156.5165.9-175.860.80000109.1T55 F56S53-T55 PolarHBondContact O-N 3.47Å; S53-T55 VanDerWaalsContact O-N 3.09Å; S53-T55 PolarHBondContact OG-OG1 2.88Å; S53-F56 PolarHBondContact N-O 2.98Å; S53-F56 VanDerWaalsContact N-O 3.13Å; S53-F56 PolarHBondContact O-N 3.4Å; S53-F56 VanDerWaalsContact O-O 3.14Å; S53-F56 PolarHBondContact OG-N 2.95Å; S53-F56 VanDerWaalsContact OG-N 3.09Å
54P84.6Confident76.7Confident110 Ų11053.5 Ų53.571%0.71430%0.3SS*.SBendtrans-57.6-24.5174.222.6-35.1000113.1T113P54-T113 WeakPolarHBondContact O-CB 3.38Å; P54-T113 PolarHBondContact O-OG1 2.85Å
55T90.1Very high78.2Confident61 Ų6151.9 Ų51.937%0.37429%0.293SS..SBendtrans-92.8-28.6-178.949.20000114.9S53 T113 M117S53-T55 PolarHBondContact O-N 3.47Å; S53-T55 VanDerWaalsContact O-N 3.09Å; S53-T55 PolarHBondContact OG-OG1 2.88Å; T55-T113 VanDerWaalsContact CA-OG1 3.26Å; T55-T113 WeakPolarHBondContact CA-OG1 3.47Å; T55-T113 PolarHBondContact O-N 2.8Å; T55-T113 PolarHBondContact O-OG1 3.38Å; T55-M117 WeakPolarHBondContact O-CE 3.15Å
56F91.8Very high80.1Confident20 Ų2045 Ų459%0.08826%0.258CS..BIsolated β-bridgetrans-133.9129-174.1-58.6-66.3000112.4M1 I5 C52 S53 M108 T111 M117M1-F56 HydrophobicContact CB-CB 3.75Å; M1-F56 HydrophobicContact CB-CD1 4.48Å; M1-F56 HydrophobicContact CB-CD2 4.34Å; M1-F56 HydrophobicContact CB-CG 3.94Å; M1-F56 HydrophobicContact CG-CB 3.61Å; M1-F56 HydrophobicContact CG-CG 4.26Å; I5-F56 HydrophobicContact CD1-CD2 4.45Å; I5-F56 HydrophobicContact CD1-CE2 4.2Å; I5-F56 HydrophobicContact CD1-CZ 4.31Å; C52-F56 WeakPolarHBondContact CB-O 3.19Å; C52-F56 PolarHBondContact N-O 3.47Å; C52-F56 VanDerWaalsContact N-O 3.16Å; S53-F56 PolarHBondContact N-O 2.98Å; S53-F56 VanDerWaalsContact N-O 3.13Å; S53-F56 PolarHBondContact O-N 3.4Å; S53-F56 VanDerWaalsContact O-O 3.14Å; S53-F56 PolarHBondContact OG-N 2.95Å; S53-F56 VanDerWaalsContact OG-N 3.09Å; F56-M108 HydrophobicContact CE1-CE 3.6Å; F56-M108 HydrophobicContact CE1-SD 3.63Å; F56-M108 HydrophobicContact CE2-CE 4.24Å; F56-M108 HydrophobicContact CZ-CE 3.2Å; F56-M108 HydrophobicContact CZ-SD 3.65Å; F56-T111 VanDerWaalsContact CA-O 3.25Å; F56-T111 WeakPolarHBondContact CA-O 3.39Å; F56-T111 VanDerWaalsContact CD1-OG1 3.31Å; F56-T111 WeakPolarHBondContact CD1-OG1 3.25Å; F56-M117 HydrophobicContact CE1-SD 4.35Å
57S89.5Confident81.9Confident1 Ų142.7 Ų42.71%0.00724%0.244CC..EExtended strand (participates in β ladder)trans-127.9158.4176.3590000110.6T111 T113S57-T111 PolarHBondContact N-O 3.42Å; S57-T111 WeakPolarHBondContact O-CA 3.4Å; S57-T113 WeakPolarHBondContact OG-CG2 3.29Å
58S88.5Confident84Confident0 Ų035.6 Ų35.60%021%0.206CC..EExtended strand (participates in β ladder)trans-134.3131.7164.941.30000110.5M1 Q44 F50 T62M1-S58 WeakPolarHBondContact CE-OG 3.46Å; Q44-S58 VanDerWaalsContact NE2-C 3.29Å; Q44-S58 PolarHBondContact NE2-O 3.22Å; F50-S58 WeakPolarHBondContact CA-O 3.31Å; F50-S58 WeakPolarHBondContact CB-O 3.27Å; F50-S58 PolarHBondContact N-O 2.97Å; F50-S58 PolarHBondContact O-N 3.16Å; S58-T62 VanDerWaalsContact CA-OG1 3.24Å; S58-T62 WeakPolarHBondContact CA-OG1 3.36Å; S58-T62 WeakPolarHBondContact CB-OG1 3.11Å
59D87.4Confident85.8Confident0 Ų029.4 Ų29.40%017%0.173CC..  trans-126169179.6-46.9-24.7000108Q44 L49 L61 T62 T63 R245 F457Q44-D59 VanDerWaalsContact OE1-C 3.22Å; L49-D59 WeakPolarHBondContact CB-OD1 3.31Å; L49-D59 HydrophobicContact CD2-CB 3.7Å; L49-D59 WeakPolarHBondContact CD2-OD1 3.37Å; L49-D59 VanDerWaalsContact CD2-OD2 3.27Å; L49-D59 WeakPolarHBondContact CD2-OD2 3.44Å; D59-L61 PolarHBondContact O-N 3.24Å; D59-L61 VanDerWaalsContact O-N 3.1Å; D59-T62 HydrophobicContact CB-CG2 4.27Å; D59-T62 PolarHBondContact N-OG1 3.23Å; D59-T62 PolarHBondContact O-N 3.49Å; D59-T62 PolarHBondContact O-OG1 3.5Å; D59-T63 PolarHBondContact O-N 2.95Å; D59-T63 VanDerWaalsContact O-N 3.1Å; D59-T63 PolarHBondContact O-OG1 2.97Å; D59-R245 IonicContact OD2-CZ 2.89Å; D59-R245 IonicContact OD2-NH1 3.04Å; D59-R245 PolarHBondContact OD2-NH1 2.8Å; D59-R245 IonicContact OD2-NH2 3.18Å; D59-R245 PolarHBondContact OD2-NH2 3.48Å; D59-F457 HydrophobicContact CB-CE1 4.08Å; D59-F457 HydrophobicContact CB-CZ 4.15Å
60P87.8Confident87.5Confident28 Ų2826.6 Ų26.618%0.18216%0.159CC..THydrogen-bonded Turntrans-68.6-14.3-173.925.8-34.8000113.1P64 G456 F457P60-P64 WeakPolarHBondContact O-CD 3.38Å; P60-P64 WeakPolarHBondContact O-CG 3.31Å; P60-G456 VanDerWaalsContact CB-O 3.28Å; P60-G456 WeakPolarHBondContact CB-O 3.49Å; P60-G456 WeakPolarHBondContact CG-O 3.13Å; P60-F457 HydrophobicContact CG-CD1 3.83Å; P60-F457 HydrophobicContact CG-CE1 4.14Å; P60-F457 HydrophobicContact CG-CG 4.39Å
61L90Very high89.2Confident1 Ų124 Ų241%0.00515%0.146CC..THydrogen-bonded Turntrans-71.1-39.9165.7175.764.1000112.6D59 Y241 M244 V313 F457D59-L61 PolarHBondContact O-N 3.24Å; D59-L61 VanDerWaalsContact O-N 3.1Å; L61-Y241 HydrophobicContact CD2-CD2 3.68Å; L61-Y241 HydrophobicContact CD2-CE2 3.79Å; L61-Y241 HydrophobicContact CG-CD2 3.88Å; L61-Y241 HydrophobicContact CG-CE2 4.09Å; L61-M244 HydrophobicContact CD1-SD 3.45Å; L61-M244 WeakPolarHBondContact CD1-SD 3.45Å; L61-M244 HydrophobicContact CD2-CB 3.95Å; L61-M244 HydrophobicContact CD2-SD 4.13Å; L61-M244 HydrophobicContact CG-SD 4.46Å; L61-V313 HydrophobicContact CD1-CG2 3.34Å; L61-F457 HydrophobicContact CB-CD2 4.4Å; L61-F457 HydrophobicContact CB-CE2 3.68Å; L61-F457 HydrophobicContact CB-CZ 4.04Å; L61-F457 HydrophobicContact CD2-CE2 4.13Å; L61-F457 HydrophobicContact CG-CE2 4.49Å
62T91.4Very high90.8Very high0 Ų020.6 Ų20.60%012%0.122CC..Hα-helixtrans-81.4-34.7-171.570.20000112.4S58 D59 L65 L66 F110 Y241S58-T62 VanDerWaalsContact CA-OG1 3.24Å; S58-T62 WeakPolarHBondContact CA-OG1 3.36Å; S58-T62 WeakPolarHBondContact CB-OG1 3.11Å; D59-T62 HydrophobicContact CB-CG2 4.27Å; D59-T62 PolarHBondContact N-OG1 3.23Å; D59-T62 PolarHBondContact O-N 3.49Å; D59-T62 PolarHBondContact O-OG1 3.5Å; T62-L65 PolarHBondContact O-N 2.94Å; T62-L66 WeakPolarHBondContact O-CB 3.41Å; T62-L66 VanDerWaalsContact O-CG 3.3Å; T62-L66 WeakPolarHBondContact O-CG 3.5Å; T62-L66 PolarHBondContact O-N 3.48Å; T62-F110 WeakPolarHBondContact CG2-O 3.33Å; T62-Y241 HydrophobicContact CG2-CE2 3.8Å
63T91.3Very high92.2Very high5 Ų518.4 Ų18.43%0.03111%0.106CC..Hα-helixtrans-65.2-41.8-170.945.60000112.8F41 D59 L66 M67F41-T63 HydrophobicContact CB-CG2 3.7Å; D59-T63 PolarHBondContact O-N 2.95Å; D59-T63 VanDerWaalsContact O-N 3.1Å; D59-T63 PolarHBondContact O-OG1 2.97Å; T63-L66 PolarHBondContact O-N 3.33Å; T63-M67 PolarHBondContact O-N 3.34Å
64P93.4Very high92.8Very high3 Ų316.6 Ų16.62%0.0199%0.094CC..Hα-helixtrans-68.6-37.2176.3-20.936000112.7P60 M67 L68 I317 I454P60-P64 WeakPolarHBondContact O-CD 3.38Å; P60-P64 WeakPolarHBondContact O-CG 3.31Å; P64-M67 PolarHBondContact O-N 2.87Å; P64-L68 WeakPolarHBondContact O-CB 3.13Å; P64-L68 PolarHBondContact O-N 2.82Å; P64-I317 HydrophobicContact CB-CD1 3.24Å; P64-I317 HydrophobicContact CB-CG1 3.93Å; P64-I317 HydrophobicContact CG-CD1 4.04Å; P64-I454 HydrophobicContact CB-CG2 4.05Å; P64-I454 HydrophobicContact CG-CG2 4.29Å
65L95Very high93.4Very high2 Ų211.5 Ų11.51%0.016%0.061CC..Hα-helixtrans-66.1-41177.3-66.9171.5000110.8T62 L68 T69 F110 K237 Y241T62-L65 PolarHBondContact O-N 2.94Å; L65-L68 PolarHBondContact O-N 2.86Å; L65-T69 WeakPolarHBondContact O-CG2 3.47Å; L65-T69 PolarHBondContact O-N 2.96Å; L65-F110 HydrophobicContact CB-CD1 3.99Å; L65-F110 HydrophobicContact CB-CD2 4.42Å; L65-F110 HydrophobicContact CB-CE1 3.98Å; L65-F110 HydrophobicContact CB-CE2 4.42Å; L65-F110 HydrophobicContact CB-CG 4.23Å; L65-F110 HydrophobicContact CB-CZ 4.19Å; L65-F110 HydrophobicContact CD1-CD1 3.89Å; L65-F110 HydrophobicContact CD1-CE1 3.66Å; L65-F110 HydrophobicContact CD1-CZ 4.48Å; L65-F110 HydrophobicContact CG-CE1 4.29Å; L65-K237 HydrophobicContact CD2-CB 3.94Å; L65-K237 HydrophobicContact CD2-CG 4.19Å; L65-Y241 HydrophobicContact CD1-CD2 3.94Å; L65-Y241 HydrophobicContact CD1-CG 4.31Å
66L95.1Very high93.7Very high0 Ų08.7 Ų8.70%04%0.043CC..Hα-helixtrans-63-43.8173.3-75.2165.5000112.2M1 T62 T63 T69 T70 I107 F110 T111M1-L66 HydrophobicContact CE-CD1 4.4Å; T62-L66 WeakPolarHBondContact O-CB 3.41Å; T62-L66 VanDerWaalsContact O-CG 3.3Å; T62-L66 WeakPolarHBondContact O-CG 3.5Å; T62-L66 PolarHBondContact O-N 3.48Å; T63-L66 PolarHBondContact O-N 3.33Å; L66-T69 WeakPolarHBondContact CA-OG1 3.48Å; L66-T69 PolarHBondContact O-N 3.37Å; L66-T69 PolarHBondContact O-OG1 3.12Å; L66-T70 WeakPolarHBondContact O-CG2 3.42Å; L66-T70 PolarHBondContact O-N 3.08Å; L66-T70 PolarHBondContact O-OG1 3.47Å; L66-I107 HydrophobicContact CD2-CB 4.39Å; L66-I107 HydrophobicContact CD2-CG1 4.45Å; L66-I107 HydrophobicContact CD2-CG2 4.22Å; L66-F110 HydrophobicContact CD2-CB 3.95Å; L66-F110 HydrophobicContact CG-CB 4.03Å; L66-T111 HydrophobicContact CD1-CG2 3.44Å; L66-T111 VanDerWaalsContact CD1-CG2 3.44Å; L66-T111 HydrophobicContact CD2-CG2 3.82Å; L66-T111 HydrophobicContact CG-CG2 4.19Å
67M94.3Very high94Very high47 Ų477.8 Ų7.823%0.2324%0.039CC..Hα-helixtrans-59.8-48.1174.8-176.8-175.2166.400110.7L39 F42 T63 P64 T69 T70 W71L39-M67 HydrophobicContact CD2-CE 4.02Å; L39-M67 HydrophobicContact CD2-SD 4.04Å; F42-M67 HydrophobicContact CE2-SD 3.54Å; F42-M67 VanDerWaalsContact CE2-SD 3.54Å; F42-M67 HydrophobicContact CZ-CB 4.4Å; F42-M67 HydrophobicContact CZ-SD 3.55Å; F42-M67 VanDerWaalsContact CZ-SD 3.55Å; T63-M67 PolarHBondContact O-N 3.34Å; P64-M67 PolarHBondContact O-N 2.87Å; M67-T69 VanDerWaalsContact C-N 3.34Å; M67-T69 PolarHBondContact O-N 2.78Å; M67-T70 PolarHBondContact O-N 3.34Å; M67-T70 PolarHBondContact O-OG1 3.45Å; M67-T70 VanDerWaalsContact O-OG1 3.09Å; M67-W71 WeakPolarHBondContact O-CB 3.34Å; M67-W71 PolarHBondContact O-N 3.11Å
68L95.9Very high94.3Very high8 Ų89.3 Ų9.34%0.0425%0.047CC..Hα-helixtrans-58.7-44.6176.9-176.566.4000111.7P64 L65 T70 W71 L72 A233 L321P64-L68 WeakPolarHBondContact O-CB 3.13Å; P64-L68 PolarHBondContact O-N 2.82Å; L65-L68 PolarHBondContact O-N 2.86Å; L68-T70 PolarHBondContact O-N 3.14Å; L68-W71 PolarHBondContact O-N 2.86Å; L68-L72 WeakPolarHBondContact O-CB 3.01Å; L68-L72 PolarHBondContact O-N 3.37Å; L68-A233 WeakPolarHBondContact CD2-O 3.49Å; L68-L321 HydrophobicContact CD1-CD2 3.54Å; L68-L321 HydrophobicContact CD1-CG 3.77Å
69T96.7Very high94.7Very high5 Ų59.4 Ų9.43%0.0315%0.047CC..Hα-helixtrans-62.8-43-179.464.40000113.1L65 L66 M67 L72 L106 F110 V234L65-T69 WeakPolarHBondContact O-CG2 3.47Å; L65-T69 PolarHBondContact O-N 2.96Å; L66-T69 WeakPolarHBondContact CA-OG1 3.48Å; L66-T69 PolarHBondContact O-N 3.37Å; L66-T69 PolarHBondContact O-OG1 3.12Å; M67-T69 VanDerWaalsContact C-N 3.34Å; M67-T69 PolarHBondContact O-N 2.78Å; T69-L72 PolarHBondContact O-N 3.32Å; T69-L106 HydrophobicContact CG2-CB 4.34Å; T69-F110 HydrophobicContact CG2-CD2 3.79Å; T69-F110 HydrophobicContact CG2-CE2 3.4Å; T69-F110 HydrophobicContact CG2-CZ 4.47Å; T69-V234 HydrophobicContact CG2-CB 4.34Å; T69-V234 HydrophobicContact CG2-CG1 3.45Å; T69-V234 VanDerWaalsContact CG2-CG1 3.45Å; T69-V234 HydrophobicContact CG2-CG2 3.87Å
70T96.3Very high95.1Very high0 Ų09.5 Ų9.50%05%0.048CC..Hα-helixtrans-76.2-33.9-178.255.60000112.3L4 P38 L66 M67 L68 L72 P74 I107L4-T70 HydrophobicContact CD1-CG2 4.1Å; L4-T70 HydrophobicContact CD2-CG2 3.88Å; L4-T70 HydrophobicContact CG-CG2 4.39Å; P38-T70 HydrophobicContact CG-CG2 4.05Å; P38-T70 WeakPolarHBondContact CG-OG1 3.37Å; L66-T70 WeakPolarHBondContact O-CG2 3.42Å; L66-T70 PolarHBondContact O-N 3.08Å; L66-T70 PolarHBondContact O-OG1 3.47Å; M67-T70 PolarHBondContact O-N 3.34Å; M67-T70 PolarHBondContact O-OG1 3.45Å; M67-T70 VanDerWaalsContact O-OG1 3.09Å; L68-T70 PolarHBondContact O-N 3.14Å; T70-L72 VanDerWaalsContact C-N 3.33Å; T70-P74 WeakPolarHBondContact O-CD 3.47Å; T70-I107 HydrophobicContact CG2-CD1 4.3Å; T70-I107 HydrophobicContact CG2-CG1 4.35Å
71W97.3Very high95.3Very high48 Ų4810.6 Ų10.618%0.1825%0.051CC..Hα-helixtrans-62.6-40.2171-174.2-111.6000111.7L32 M67 L68 L73 P74 L75 M439 P443L32-W71 HydrophobicContact CD2-CZ3 4.39Å; M67-W71 WeakPolarHBondContact O-CB 3.34Å; M67-W71 PolarHBondContact O-N 3.11Å; L68-W71 PolarHBondContact O-N 2.86Å; W71-L73 PolarHBondContact O-N 3.21Å; W71-P74 WeakPolarHBondContact O-CD 3.3Å; W71-P74 VanDerWaalsContact O-CG 3.24Å; W71-P74 WeakPolarHBondContact O-CG 3.38Å; W71-L75 HydrophobicContact CD2-CD1 4.12Å; W71-L75 HydrophobicContact CG-CD1 4.19Å; W71-L75 HydrophobicContact CZ2-CD1 4.28Å; W71-L75 WeakPolarHBondContact O-CD1 3.43Å; W71-M439 HydrophobicContact CH2-SD 3.68Å; W71-M439 HydrophobicContact CZ2-CB 4.06Å; W71-M439 HydrophobicContact CZ2-CG 4.48Å; W71-M439 WeakPolarHBondContact CZ2-O 3.34Å; W71-M439 HydrophobicContact CZ2-SD 3.75Å; W71-M439 PolarHBondContact NE1-O 3.13Å; W71-M439 VanDerWaalsContact NE1-O 3.08Å; W71-P443 HydrophobicContact CZ2-CG 4.08Å
72L97.4Very high95.4Very high3 Ų316.4 Ų16.42%0.0167%0.073CC..Hα-helixtrans-68.7-30.3-172.6-161.975.5000114.2L68 T69 T70 L75 T76 M229 V230 A233 V234L68-L72 WeakPolarHBondContact O-CB 3.01Å; L68-L72 PolarHBondContact O-N 3.37Å; T69-L72 PolarHBondContact O-N 3.32Å; T70-L72 VanDerWaalsContact C-N 3.33Å; L72-L75 PolarHBondContact O-N 3.35Å; L72-T76 HydrophobicContact CD2-CG2 4.3Å; L72-T76 HydrophobicContact CG-CG2 3.88Å; L72-T76 VanDerWaalsContact O-CG2 3.24Å; L72-T76 WeakPolarHBondContact O-CG2 3.3Å; L72-T76 PolarHBondContact O-N 2.86Å; L72-T76 PolarHBondContact O-OG1 3.19Å; L72-M229 HydrophobicContact CD1-CE 4.38Å; L72-V230 HydrophobicContact CD2-CB 4.23Å; L72-V230 HydrophobicContact CD2-CG2 3.88Å; L72-A233 HydrophobicContact CD1-CB 3.92Å; L72-A233 HydrophobicContact CD2-CB 3.6Å; L72-A233 HydrophobicContact CG-CB 4.41Å; L72-V234 HydrophobicContact CD2-CG2 4.04Å
73L97.3Very high95.3Very high7 Ų720 Ų204%0.0379%0.089CC..Hα-helixtrans-57.7-55-177.5-172.5111.8000112.8L11 W71 L75 T76 I77 L99 I100 Q103L11-L73 HydrophobicContact CD1-CD2 4.06Å; W71-L73 PolarHBondContact O-N 3.21Å; L73-L75 PolarHBondContact O-N 3.49Å; L73-T76 PolarHBondContact O-N 3.03Å; L73-T76 VanDerWaalsContact O-N 3.12Å; L73-T76 PolarHBondContact O-OG1 2.92Å; L73-I77 HydrophobicContact CD2-CD1 3.5Å; L73-I77 VanDerWaalsContact CD2-CD1 3.5Å; L73-I77 HydrophobicContact CD2-CG1 4.47Å; L73-I77 HydrophobicContact CG-CD1 3.92Å; L73-I77 HydrophobicContact CG-CG1 4.4Å; L73-I77 WeakPolarHBondContact O-CG1 3.44Å; L73-I77 PolarHBondContact O-N 2.99Å; L73-L99 HydrophobicContact CD1-CB 4.15Å; L73-L99 WeakPolarHBondContact CD1-O 3.35Å; L73-I100 HydrophobicContact CD1-CG1 4.23Å; L73-Q103 HydrophobicContact CB-CG 4.46Å; L73-Q103 HydrophobicContact CD1-CB 3.79Å; L73-Q103 HydrophobicContact CD1-CG 4.34Å; L73-Q103 VanDerWaalsContact CD2-OE1 3.27Å; L73-Q103 VanDerWaalsContact CG-OE1 3.24Å
74P97.4Very high95.4Very high0 Ų019.9 Ų19.90%09%0.088CC..Hα-helixtrans-57.7-36.8177.817.8-28.5000112.8S31 L32 T70 W71 I77 M78S31-P74 WeakPolarHBondContact OG-CB 3.3Å; L32-P74 HydrophobicContact CD2-CB 3.74Å; L32-P74 HydrophobicContact CD2-CG 3.69Å; L32-P74 HydrophobicContact CG-CB 3.69Å; L32-P74 HydrophobicContact CG-CG 4.02Å; T70-P74 WeakPolarHBondContact O-CD 3.47Å; W71-P74 WeakPolarHBondContact O-CD 3.3Å; W71-P74 VanDerWaalsContact O-CG 3.24Å; W71-P74 WeakPolarHBondContact O-CG 3.38Å; P74-I77 PolarHBondContact O-N 3.46Å; P74-M78 WeakPolarHBondContact O-CG 3.36Å; P74-M78 PolarHBondContact O-N 3Å
75L97.6Very high95.4Very high3 Ų322.9 Ų22.92%0.01611%0.109CC..Hα-helixtrans-65.7-42.6177-76.283.4000111.6W71 L72 L73 I77 M78 A79 M229 M439 H440W71-L75 HydrophobicContact CD2-CD1 4.12Å; W71-L75 HydrophobicContact CG-CD1 4.19Å; W71-L75 HydrophobicContact CZ2-CD1 4.28Å; W71-L75 WeakPolarHBondContact O-CD1 3.43Å; L72-L75 PolarHBondContact O-N 3.35Å; L73-L75 PolarHBondContact O-N 3.49Å; L75-I77 VanDerWaalsContact C-N 3.32Å; L75-I77 PolarHBondContact O-N 2.8Å; L75-M78 PolarHBondContact O-N 2.96Å; L75-A79 WeakPolarHBondContact O-CB 3.48Å; L75-A79 PolarHBondContact O-N 3.39Å; L75-M229 HydrophobicContact CB-CE 3.91Å; L75-M439 HydrophobicContact CD1-CB 4.4Å; L75-M439 HydrophobicContact CD2-CB 4Å; L75-M439 HydrophobicContact CG-CB 4.24Å; L75-H440 HydrophobicContact CD2-CB 4.48Å; L75-H440 WeakPolarHBondContact CD2-CE1 3.47Å; L75-H440 WeakPolarHBondContact CD2-ND1 3.09Å; L75-H440 WeakPolarHBondContact CD2-NE2 3.38Å
76T97Very high95.2Very high1 Ų127.7 Ų27.71%0.00614%0.143CC..Hα-helixtrans-66.1-34.817763.30000112.6L72 L73 A79 S80 A226 M229 V230L72-T76 HydrophobicContact CD2-CG2 4.3Å; L72-T76 HydrophobicContact CG-CG2 3.88Å; L72-T76 VanDerWaalsContact O-CG2 3.24Å; L72-T76 WeakPolarHBondContact O-CG2 3.3Å; L72-T76 PolarHBondContact O-N 2.86Å; L72-T76 PolarHBondContact O-OG1 3.19Å; L73-T76 PolarHBondContact O-N 3.03Å; L73-T76 VanDerWaalsContact O-N 3.12Å; L73-T76 PolarHBondContact O-OG1 2.92Å; T76-A79 PolarHBondContact O-N 3.35Å; T76-S80 WeakPolarHBondContact O-CB 3.28Å; T76-S80 PolarHBondContact O-N 2.73Å; T76-S80 VanDerWaalsContact O-N 3.13Å; T76-S80 PolarHBondContact O-OG 3.24Å; T76-A226 HydrophobicContact CG2-CB 4.34Å; T76-M229 HydrophobicContact CG2-CB 3.93Å; T76-M229 HydrophobicContact CG2-CE 3.94Å; T76-M229 HydrophobicContact CG2-SD 3.99Å; T76-V230 HydrophobicContact CG2-CG2 3.73Å
77I96.9Very high95.2Very high1 Ų130.2 Ų30.21%0.00516%0.155CC..Hα-helixtrans-66.4-47.4174-64.5171.9000109.5W24 T28 L73 P74 L75 A79 S80 Q81 L96 L99W24-I77 HydrophobicContact CE3-CG2 3.52Å; W24-I77 HydrophobicContact CZ3-CG2 3.84Å; T28-I77 HydrophobicContact CG2-CB 3.9Å; T28-I77 HydrophobicContact CG2-CG2 3.38Å; L73-I77 HydrophobicContact CD2-CD1 3.5Å; L73-I77 VanDerWaalsContact CD2-CD1 3.5Å; L73-I77 HydrophobicContact CD2-CG1 4.47Å; L73-I77 HydrophobicContact CG-CD1 3.92Å; L73-I77 HydrophobicContact CG-CG1 4.4Å; L73-I77 WeakPolarHBondContact O-CG1 3.44Å; L73-I77 PolarHBondContact O-N 2.99Å; P74-I77 PolarHBondContact O-N 3.46Å; L75-I77 VanDerWaalsContact C-N 3.32Å; L75-I77 PolarHBondContact O-N 2.8Å; I77-A79 VanDerWaalsContact C-N 3.32Å; I77-A79 PolarHBondContact O-N 3.47Å; I77-S80 PolarHBondContact O-N 3.41Å; I77-S80 PolarHBondContact O-OG 3.37Å; I77-Q81 VanDerWaalsContact O-CG 3.31Å; I77-Q81 WeakPolarHBondContact O-CG 3.39Å; I77-Q81 PolarHBondContact O-N 2.82Å; I77-L96 HydrophobicContact CB-CD2 4.49Å; I77-L96 HydrophobicContact CD1-CD2 4.26Å; I77-L96 HydrophobicContact CG1-CD2 3.87Å; I77-L96 HydrophobicContact CG2-CD2 3.95Å; I77-L99 HydrophobicContact CG1-CD1 4.46Å
78M96.6Very high95.3Very high34 Ų3430.9 Ų30.917%0.16716%0.163CC..Hα-helixtrans-60-41.2175.3-71.6-176.2-175.300112T28 L32 P74 L75 S80 R432 L436T28-M78 HydrophobicContact CG2-CG 4.07Å; L32-M78 HydrophobicContact CD1-CE 4.34Å; P74-M78 WeakPolarHBondContact O-CG 3.36Å; P74-M78 PolarHBondContact O-N 3Å; L75-M78 PolarHBondContact O-N 2.96Å; M78-S80 PolarHBondContact O-N 3Å; M78-R432 WeakPolarHBondContact O-CD 3.48Å; M78-R432 PolarHBondContact O-NH1 3.38Å; M78-L436 HydrophobicContact CB-CD1 4.39Å
79A96.4Very high95.3Very high2 Ų233.3 Ų33.32%0.01718%0.176CC..Hα-helixtrans-62.5-42.2-178.900000112.9L75 T76 I77 I225 M229 R432 L436L75-A79 WeakPolarHBondContact O-CB 3.48Å; L75-A79 PolarHBondContact O-N 3.39Å; T76-A79 PolarHBondContact O-N 3.35Å; I77-A79 VanDerWaalsContact C-N 3.32Å; I77-A79 PolarHBondContact O-N 3.47Å; A79-I225 HydrophobicContact CB-CG1 3.9Å; A79-I225 HydrophobicContact CB-CG2 3.87Å; A79-M229 HydrophobicContact CB-CE 4.36Å; A79-M229 HydrophobicContact CB-SD 3.56Å; A79-M229 VanDerWaalsContact CB-SD 3.56Å; A79-R432 PolarHBondContact O-NH1 3.25Å; A79-L436 HydrophobicContact CB-CD1 3.61Å
80S95.4Very high95.3Very high2 Ų236.3 Ų36.31%0.01420%0.197CC..Hα-helixtrans-85.2-17.1-168.755.70000115.2T76 I77 M78 R82 H83 L84 Y95T76-S80 WeakPolarHBondContact O-CB 3.28Å; T76-S80 PolarHBondContact O-N 2.73Å; T76-S80 VanDerWaalsContact O-N 3.13Å; T76-S80 PolarHBondContact O-OG 3.24Å; I77-S80 PolarHBondContact O-N 3.41Å; I77-S80 PolarHBondContact O-OG 3.37Å; M78-S80 PolarHBondContact O-N 3Å; S80-R82 VanDerWaalsContact C-N 3.29Å; S80-R82 PolarHBondContact O-N 2.67Å; S80-H83 PolarHBondContact O-N 2.92Å; S80-L84 PolarHBondContact O-N 3.28Å; S80-Y95 WeakPolarHBondContact CB-OH 3.45Å; S80-Y95 WeakPolarHBondContact OG-CE1 3.15Å
81Q93.1Very high95.2Very high51 Ų5141 Ų4124%0.23821%0.214CC..THydrogen-bonded Turntrans-51.8-42.1-176.7-82.5166.32300114.4W24 I77 S85W24-Q81 HydrophobicContact CB-CG 4.22Å; W24-Q81 HydrophobicContact CD2-CG 3.43Å; W24-Q81 VanDerWaalsContact CD2-CG 3.43Å; W24-Q81 HydrophobicContact CE3-CB 4.45Å; W24-Q81 HydrophobicContact CE3-CG 3.23Å; W24-Q81 HydrophobicContact CG-CG 3.87Å; W24-Q81 HydrophobicContact CH2-CG 4.27Å; W24-Q81 HydrophobicContact CZ2-CG 4.43Å; W24-Q81 HydrophobicContact CZ3-CG 3.67Å; I77-Q81 VanDerWaalsContact O-CG 3.31Å; I77-Q81 WeakPolarHBondContact O-CG 3.39Å; I77-Q81 PolarHBondContact O-N 2.82Å; Q81-S85 PolarHBondContact O-N 3.13Å
82R91.7Very high95.2Very high122 Ų12240.1 Ų40.146%0.4621%0.212SC..THydrogen-bonded Turntrans-71.5-50.2-172.1-178.759.8-178.5174.69.9111.9S80 L84 S85 E335S80-R82 VanDerWaalsContact C-N 3.29Å; S80-R82 PolarHBondContact O-N 2.67Å; R82-L84 VanDerWaalsContact C-N 3.3Å; R82-L84 PolarHBondContact O-N 3.24Å; R82-S85 VanDerWaalsContact O-CB 3.22Å; R82-S85 WeakPolarHBondContact O-CB 3.36Å; R82-S85 PolarHBondContact O-N 3Å; R82-S85 PolarHBondContact O-OG 2.89Å; R82-E335 VanDerWaalsContact CG-OE2 3.31Å; R82-E335 WeakPolarHBondContact CG-OE2 3.4Å
83H89.7Confident95.2Very high76 Ų7641.3 Ų41.335%0.35222%0.217SC..G310 helixtrans-63-37.3179.1175.963.4000112.1S80 S85 N138S80-H83 PolarHBondContact O-N 2.92Å; H83-S85 PolarHBondContact O-N 2.92Å; H83-N138 PolarHBondContact CE1-OD1 3.43Å; H83-N138 PolarHBondContact NE2-OD1 3.27Å
84L93.9Very high95.2Very high2 Ų244.6 Ų44.61%0.0123%0.234CC..G310 helixtrans-79.70.5179.1-68.7169.1000113.5W24 S80 R82 S86 E87 K92 Y95 W136W24-L84 HydrophobicContact CH2-CB 4.41Å; W24-L84 HydrophobicContact CH2-CD1 3.78Å; W24-L84 HydrophobicContact CZ2-CB 4.25Å; W24-L84 HydrophobicContact CZ2-CD1 4.36Å; S80-L84 PolarHBondContact O-N 3.28Å; R82-L84 VanDerWaalsContact C-N 3.3Å; R82-L84 PolarHBondContact O-N 3.24Å; L84-S86 PolarHBondContact O-N 3.28Å; L84-S86 VanDerWaalsContact O-N 3.16Å; L84-E87 HydrophobicContact CD2-CG 3.9Å; L84-E87 PolarHBondContact O-N 2.86Å; L84-K92 WeakPolarHBondContact O-CE 3.24Å; L84-K92 PolarHBondContact O-NZ 3.11Å; L84-Y95 HydrophobicContact CD1-CD1 3.25Å; L84-Y95 HydrophobicContact CD1-CD2 4.1Å; L84-Y95 HydrophobicContact CD1-CE1 3.34Å; L84-Y95 HydrophobicContact CD1-CE2 4.16Å; L84-Y95 HydrophobicContact CD1-CG 3.62Å; L84-W136 HydrophobicContact CD2-CG 4.46Å
85S91.7Very high95.2Very high66 Ų6644.7 Ų44.746%0.46224%0.235SC..G310 helixtrans-57.1-34.1-173.7590000113.5Q81 R82 H83 K92Q81-S85 PolarHBondContact O-N 3.13Å; R82-S85 VanDerWaalsContact O-CB 3.22Å; R82-S85 WeakPolarHBondContact O-CB 3.36Å; R82-S85 PolarHBondContact O-N 3Å; R82-S85 PolarHBondContact O-OG 2.89Å; H83-S85 PolarHBondContact O-N 2.92Å; S85-K92 PolarHBondContact O-NZ 3.27Å
86S92Very high95.2Very high104 Ų10444.6 Ų44.673%0.72723%0.234SC*.G310 helixtrans-80.5-15177.5540000115.1L84L84-S86 PolarHBondContact O-N 3.28Å; L84-S86 VanDerWaalsContact O-N 3.16Å
87E94.4Very high95.3Very high52 Ų5245.2 Ų45.224%0.24324%0.239CC..SBendtrans-72.3149.2-176.2-73.6-70.115200112.6L84 R91 K92L84-E87 HydrophobicContact CD2-CG 3.9Å; L84-E87 PolarHBondContact O-N 2.86Å; E87-R91 WeakPolarHBondContact OE2-CD 3.27Å; E87-R91 IonicContact OE2-CZ 3.86Å; E87-R91 IonicContact OE2-NE 3.84Å; E87-R91 IonicContact OE2-NH1 3.59Å; E87-R91 PolarHBondContact OE2-NH1 2.78Å; E87-R91 VanDerWaalsContact OE2-NH1 3.08Å; E87-K92 HydrophobicContact CB-CG 4.2Å; E87-K92 WeakPolarHBondContact O-CE 3.43Å; E87-K92 PolarHBondContact O-NZ 2.97Å
88P96Very high95.3Very high61 Ų6147.4 Ų47.440%0.39625%0.249SC..  trans-63.3155.6173.328.7-35.4000111.5S90 R91 K92P88-S90 VanDerWaalsContact C-N 3.33Å; P88-S90 PolarHBondContact O-N 3.26Å; P88-R91 HydrophobicContact CG-CB 4.05Å; P88-R91 HydrophobicContact CG-CG 3.81Å; P88-R91 PolarHBondContact O-N 3.02Å; P88-R91 VanDerWaalsContact O-N 3.12Å; P88-K92 PolarHBondContact O-N 2.9Å; P88-K92 VanDerWaalsContact O-N 3.08Å
89L95.6Very high95.4Very high60 Ų6045.9 Ų45.931%0.31424%0.242SC..Hα-helixtrans-58.1-42.2-171.8-17261.2000113.4K20 I23 R91 K92 K93K20-L89 HydrophobicContact CB-CD1 4.23Å; K20-L89 HydrophobicContact CB-CD2 4.16Å; K20-L89 HydrophobicContact CG-CD1 3.83Å; K20-L89 HydrophobicContact CG-CD2 4.28Å; I23-L89 HydrophobicContact CD1-CD1 3.34Å; I23-L89 HydrophobicContact CD1-CG 4.26Å; L89-R91 VanDerWaalsContact C-N 3.32Å; L89-R91 PolarHBondContact O-N 3.22Å; L89-K92 PolarHBondContact O-N 2.85Å; L89-K93 PolarHBondContact O-N 3.09Å
90S96.6Very high95.5Very high68 Ų6845.9 Ų45.948%0.47624%0.242SC..Hα-helixtrans-60.8-41.7178.953.60000111.7P88 K93 L94P88-S90 VanDerWaalsContact C-N 3.33Å; P88-S90 PolarHBondContact O-N 3.26Å; S90-K93 PolarHBondContact O-N 3.38Å; S90-L94 WeakPolarHBondContact O-CB 3.23Å; S90-L94 WeakPolarHBondContact O-CG 3.44Å; S90-L94 PolarHBondContact O-N 2.85Å
91R96.2Very high95.6Very high97 Ų9747.4 Ų47.437%0.36625%0.253SS..Hα-helixtrans-70.4-35177.8-67.4-177.7-168.9174.23112.6E87 P88 L89 L94 Y95E87-R91 WeakPolarHBondContact OE2-CD 3.27Å; E87-R91 IonicContact OE2-CZ 3.86Å; E87-R91 IonicContact OE2-NE 3.84Å; E87-R91 IonicContact OE2-NH1 3.59Å; E87-R91 PolarHBondContact OE2-NH1 2.78Å; E87-R91 VanDerWaalsContact OE2-NH1 3.08Å; P88-R91 HydrophobicContact CG-CB 4.05Å; P88-R91 HydrophobicContact CG-CG 3.81Å; P88-R91 PolarHBondContact O-N 3.02Å; P88-R91 VanDerWaalsContact O-N 3.12Å; L89-R91 VanDerWaalsContact C-N 3.32Å; L89-R91 PolarHBondContact O-N 3.22Å; R91-L94 PolarHBondContact O-N 3.45Å; R91-Y95 WeakPolarHBondContact O-CB 3.39Å; R91-Y95 PolarHBondContact O-N 3.28Å
92K96.4Very high95.8Very high31 Ų3145.2 Ų45.214%0.13524%0.242CC..Hα-helixtrans-60.9-45.8170.7-72.1170.6172.5151.20111.6W24 L84 S85 E87 P88 L89 Y95 L96W24-K92 HydrophobicContact CZ2-CB 4.45Å; W24-K92 HydrophobicContact CZ2-CG 4.32Å; L84-K92 WeakPolarHBondContact O-CE 3.24Å; L84-K92 PolarHBondContact O-NZ 3.11Å; S85-K92 PolarHBondContact O-NZ 3.27Å; E87-K92 HydrophobicContact CB-CG 4.2Å; E87-K92 WeakPolarHBondContact O-CE 3.43Å; E87-K92 PolarHBondContact O-NZ 2.97Å; P88-K92 PolarHBondContact O-N 2.9Å; P88-K92 VanDerWaalsContact O-N 3.08Å; L89-K92 PolarHBondContact O-N 2.85Å; K92-Y95 PolarHBondContact O-N 3.04Å; K92-L96 WeakPolarHBondContact O-CG 3.39Å; K92-L96 PolarHBondContact O-N 2.83Å; K92-L96 VanDerWaalsContact O-N 3.1Å
93K96.9Very high96.1Very high27 Ų2739.7 Ų39.712%0.11722%0.222CC..Hα-helixtrans-62.7-44.5175.9-72.7-178172.4-172.50111.7T15 W16 I23 L89 S90 Y95 L96 S97T15-K93 VanDerWaalsContact O-CE 3.26Å; T15-K93 WeakPolarHBondContact O-CE 3.29Å; W16-K93 HydrophobicContact CD2-CB 4.45Å; W16-K93 HydrophobicContact CD2-CD 4.43Å; W16-K93 HydrophobicContact CE3-CD 4.07Å; W16-K93 HydrophobicContact CZ2-CB 4.46Å; W16-K93 PolarHBondContact O-NZ 3.17Å; I23-K93 HydrophobicContact CD1-CD 4.28Å; I23-K93 HydrophobicContact CD1-CG 3.9Å; L89-K93 PolarHBondContact O-N 3.09Å; S90-K93 PolarHBondContact O-N 3.38Å; K93-Y95 PolarHBondContact O-N 3.01Å; K93-L96 PolarHBondContact O-N 2.75Å; K93-S97 WeakPolarHBondContact O-CB 3.46Å; K93-S97 PolarHBondContact O-N 3.39Å; K93-S97 PolarHBondContact O-OG 3.29Å
94L97.8Very high96.5Very high76 Ų7637.4 Ų37.440%0.39821%0.212SC..Hα-helixtrans-59.9-46.1175.5-75167.1000111.7W16 S90 R91 L96 S97 M98 W136W16-L94 HydrophobicContact CH2-CD2 4.11Å; W16-L94 HydrophobicContact CH2-CG 4.25Å; W16-L94 HydrophobicContact CZ2-CD2 3.85Å; W16-L94 HydrophobicContact CZ2-CG 4.25Å; S90-L94 WeakPolarHBondContact O-CB 3.23Å; S90-L94 WeakPolarHBondContact O-CG 3.44Å; S90-L94 PolarHBondContact O-N 2.85Å; R91-L94 PolarHBondContact O-N 3.45Å; L94-L96 PolarHBondContact O-N 3.12Å; L94-S97 WeakPolarHBondContact CA-OG 3.49Å; L94-S97 PolarHBondContact O-N 3.41Å; L94-S97 VanDerWaalsContact O-N 3.15Å; L94-S97 PolarHBondContact O-OG 2.96Å; L94-M98 WeakPolarHBondContact O-CG 3.45Å; L94-M98 PolarHBondContact O-N 3.01Å; L94-W136 HydrophobicContact CB-CH2 4.39Å; L94-W136 HydrophobicContact CB-CZ2 4.35Å
95Y97.8Very high96.6Very high3 Ų337.8 Ų37.81%0.01221%0.214CC..Hα-helixtrans-56.6-48.9177.1-178.1-98.4000112.4S80 L84 R91 K92 K93 S97 M98 L99 I132 W136 P224 A226S80-Y95 WeakPolarHBondContact CB-OH 3.45Å; S80-Y95 WeakPolarHBondContact OG-CE1 3.15Å; L84-Y95 HydrophobicContact CD1-CD1 3.25Å; L84-Y95 HydrophobicContact CD1-CD2 4.1Å; L84-Y95 HydrophobicContact CD1-CE1 3.34Å; L84-Y95 HydrophobicContact CD1-CE2 4.16Å; L84-Y95 HydrophobicContact CD1-CG 3.62Å; R91-Y95 WeakPolarHBondContact O-CB 3.39Å; R91-Y95 PolarHBondContact O-N 3.28Å; K92-Y95 PolarHBondContact O-N 3.04Å; K93-Y95 PolarHBondContact O-N 3.01Å; Y95-S97 VanDerWaalsContact C-N 3.32Å; Y95-S97 PolarHBondContact O-N 3.02Å; Y95-M98 PolarHBondContact O-N 3.47Å; Y95-L99 HydrophobicContact CD1-CD1 3.94Å; Y95-L99 HydrophobicContact CE1-CD1 3.45Å; Y95-L99 VanDerWaalsContact CE1-CD1 3.45Å; Y95-L99 HydrophobicContact CE1-CG 4.2Å; Y95-L99 PolarHBondContact O-N 3.22Å; Y95-L99 VanDerWaalsContact O-N 3.07Å; Y95-I132 HydrophobicContact CE2-CG2 4.25Å; Y95-W136 HydrophobicContact CD2-CB 4.34Å; Y95-W136 AromaticContact CD2-CD2 3.46Å; Y95-W136 HydrophobicContact CD2-CD2 3.46Å; Y95-W136 VanDerWaalsContact CD2-CD2 3.46Å; Y95-W136 AromaticContact CD2-CE2 3.64Å; Y95-W136 AromaticContact CD2-CE3 3.76Å; Y95-W136 HydrophobicContact CD2-CE3 3.76Å; Y95-W136 AromaticContact CD2-CG 3.75Å; Y95-W136 HydrophobicContact CD2-CG 3.75Å; Y95-W136 HydrophobicContact CD2-CH2 4.31Å; Y95-W136 HydrophobicContact CD2-CZ2 4.08Å; Y95-W136 HydrophobicContact CD2-CZ3 4.17Å; Y95-W136 HydrophobicContact CE2-CB 4.17Å; Y95-W136 HydrophobicContact CE2-CD2 4.13Å; Y95-W136 HydrophobicContact CE2-CE3 4.37Å; Y95-W136 HydrophobicContact CE2-CG 4.07Å; Y95-W136 HydrophobicContact CG-CD2 4.44Å; Y95-W136 HydrophobicContact CG-CZ2 4.37Å; Y95-P224 HydrophobicContact CE2-CG 4.44Å; Y95-A226 HydrophobicContact CE1-CB 4.5Å; Y95-A226 WeakPolarHBondContact OH-CB 3.33Å
96L97.6Very high96.9Very high0 Ų034.9 Ų34.90%019%0.194CC..Hα-helixtrans-62.3-40.8176.3-71.8170.9000111.7T15 I23 W24 T27 I77 K92 K93 L94 M98 L99 I100T15-L96 HydrophobicContact CG2-CB 4.25Å; I23-L96 HydrophobicContact CG2-CD1 3.44Å; I23-L96 VanDerWaalsContact CG2-CD1 3.44Å; W24-L96 HydrophobicContact CD2-CD1 4.48Å; W24-L96 HydrophobicContact CE3-CD1 4.22Å; W24-L96 HydrophobicContact CE3-CD2 3.99Å; W24-L96 HydrophobicContact CH2-CD1 4.49Å; W24-L96 HydrophobicContact CH2-CD2 4.22Å; W24-L96 HydrophobicContact CH2-CG 4.33Å; W24-L96 HydrophobicContact CZ3-CD1 4.25Å; W24-L96 HydrophobicContact CZ3-CD2 3.58Å; W24-L96 HydrophobicContact CZ3-CG 4.12Å; T27-L96 HydrophobicContact CG2-CD1 4.41Å; I77-L96 HydrophobicContact CB-CD2 4.49Å; I77-L96 HydrophobicContact CD1-CD2 4.26Å; I77-L96 HydrophobicContact CG1-CD2 3.87Å; I77-L96 HydrophobicContact CG2-CD2 3.95Å; K92-L96 WeakPolarHBondContact O-CG 3.39Å; K92-L96 PolarHBondContact O-N 2.83Å; K92-L96 VanDerWaalsContact O-N 3.1Å; K93-L96 PolarHBondContact O-N 2.75Å; L94-L96 PolarHBondContact O-N 3.12Å; L96-M98 VanDerWaalsContact C-N 3.28Å; L96-M98 PolarHBondContact O-N 2.68Å; L96-L99 PolarHBondContact O-N 3.41Å; L96-I100 WeakPolarHBondContact O-CD1 3.43Å; L96-I100 VanDerWaalsContact O-CG1 3.3Å; L96-I100 WeakPolarHBondContact O-CG1 3.25Å; L96-I100 PolarHBondContact O-N 3.18Å
97S98.1Very high97.1Very high15 Ų1529.9 Ų29.911%0.10516%0.159CC..Hα-helixtrans-63.3-33.5176.473.70000112.7K93 L94 Y95 I100 S101K93-S97 WeakPolarHBondContact O-CB 3.46Å; K93-S97 PolarHBondContact O-N 3.39Å; K93-S97 PolarHBondContact O-OG 3.29Å; L94-S97 WeakPolarHBondContact CA-OG 3.49Å; L94-S97 PolarHBondContact O-N 3.41Å; L94-S97 VanDerWaalsContact O-N 3.15Å; L94-S97 PolarHBondContact O-OG 2.96Å; Y95-S97 VanDerWaalsContact C-N 3.32Å; Y95-S97 PolarHBondContact O-N 3.02Å; S97-I100 PolarHBondContact O-N 3.31Å; S97-S101 WeakPolarHBondContact O-CB 3.4Å; S97-S101 PolarHBondContact O-N 3.43Å; S97-S101 PolarHBondContact O-OG 2.97Å
98M98.1Very high97.2Very high46 Ų4628.6 Ų28.623%0.22715%0.153CC..Hα-helixtrans-71.2-37174.1-62.4-48.8-108.600112.3L94 Y95 L96 S101 L102 P128 A131 I132 W136L94-M98 WeakPolarHBondContact O-CG 3.45Å; L94-M98 PolarHBondContact O-N 3.01Å; Y95-M98 PolarHBondContact O-N 3.47Å; L96-M98 VanDerWaalsContact C-N 3.28Å; L96-M98 PolarHBondContact O-N 2.68Å; M98-S101 WeakPolarHBondContact CA-OG 3.43Å; M98-S101 PolarHBondContact O-OG 2.83Å; M98-S101 VanDerWaalsContact O-OG 3.05Å; M98-L102 VanDerWaalsContact O-CB 3.26Å; M98-L102 WeakPolarHBondContact O-CB 3.5Å; M98-L102 PolarHBondContact O-N 3.09Å; M98-P128 WeakPolarHBondContact O-CB 3.36Å; M98-A131 HydrophobicContact CE-CB 3.21Å; M98-I132 HydrophobicContact CB-CD1 4.15Å; M98-I132 HydrophobicContact CB-CG1 3.97Å; M98-W136 HydrophobicContact CG-CH2 4.26Å; M98-W136 HydrophobicContact CG-CZ3 4.3Å
99L98Very high97.2Very high3 Ų325.7 Ų25.72%0.01614%0.135CC..Hα-helixtrans-65.6-40.6173-70.1175.9000111.7L73 I77 Y95 L96 L102 Q103 I132 A226L73-L99 HydrophobicContact CD1-CB 4.15Å; L73-L99 WeakPolarHBondContact CD1-O 3.35Å; I77-L99 HydrophobicContact CG1-CD1 4.46Å; Y95-L99 HydrophobicContact CD1-CD1 3.94Å; Y95-L99 HydrophobicContact CE1-CD1 3.45Å; Y95-L99 VanDerWaalsContact CE1-CD1 3.45Å; Y95-L99 HydrophobicContact CE1-CG 4.2Å; Y95-L99 PolarHBondContact O-N 3.22Å; Y95-L99 VanDerWaalsContact O-N 3.07Å; L96-L99 PolarHBondContact O-N 3.41Å; L99-L102 WeakPolarHBondContact O-CB 3.49Å; L99-L102 PolarHBondContact O-N 3.26Å; L99-Q103 PolarHBondContact O-N 3.19Å; L99-I132 HydrophobicContact CD2-CD1 3.7Å; L99-I132 HydrophobicContact CG-CD1 4.33Å; L99-A226 HydrophobicContact CD1-CB 4.13Å; L99-A226 HydrophobicContact CD2-CB 3.86Å
100I98.1Very high97.2Very high1 Ų122.9 Ų22.91%0.00512%0.12CC..Hα-helixtrans-69-43.9178.3-68.4159.2000111T8 L11 L12 T15 L73 L96 S97 L102 Q103 I104T8-I100 WeakPolarHBondContact O-CG2 3.44Å; L11-I100 HydrophobicContact CB-CD1 3.68Å; L11-I100 HydrophobicContact CB-CG1 4.08Å; L11-I100 HydrophobicContact CB-CG2 3.94Å; L11-I100 HydrophobicContact CD1-CG1 4.22Å; L12-I100 HydrophobicContact CD2-CB 4.1Å; L12-I100 HydrophobicContact CD2-CG2 3.83Å; L12-I100 HydrophobicContact CG-CG2 3.88Å; T15-I100 HydrophobicContact CG2-CD1 3.27Å; L73-I100 HydrophobicContact CD1-CG1 4.23Å; L96-I100 WeakPolarHBondContact O-CD1 3.43Å; L96-I100 VanDerWaalsContact O-CG1 3.3Å; L96-I100 WeakPolarHBondContact O-CG1 3.25Å; L96-I100 PolarHBondContact O-N 3.18Å; S97-I100 PolarHBondContact O-N 3.31Å; I100-L102 VanDerWaalsContact C-N 3.29Å; I100-L102 PolarHBondContact O-N 3.04Å; I100-Q103 PolarHBondContact O-N 3.46Å; I100-Q103 VanDerWaalsContact O-N 3.16Å; I100-I104 HydrophobicContact CG2-CD1 3.89Å; I100-I104 HydrophobicContact CG2-CG1 4.46Å; I100-I104 VanDerWaalsContact O-CG1 3.3Å; I100-I104 WeakPolarHBondContact O-CG1 3.29Å; I100-I104 PolarHBondContact O-N 3.4Å
101S98.1Very high97.1Very high35 Ų3519.6 Ų19.625%0.24510%0.097CC..Hα-helixtrans-63.5-37.317667.20000111.8S97 M98 I104 S105 P128S97-S101 WeakPolarHBondContact O-CB 3.4Å; S97-S101 PolarHBondContact O-N 3.43Å; S97-S101 PolarHBondContact O-OG 2.97Å; M98-S101 WeakPolarHBondContact CA-OG 3.43Å; M98-S101 PolarHBondContact O-OG 2.83Å; M98-S101 VanDerWaalsContact O-OG 3.05Å; S101-I104 PolarHBondContact O-N 3.45Å; S101-S105 PolarHBondContact O-N 3.12Å; S101-S105 PolarHBondContact O-OG 3.44Å; S101-P128 WeakPolarHBondContact OG-CG 3.22Å
102L97.8Very high97.1Very high4 Ų415 Ų152%0.0218%0.079CC..Hα-helixtrans-59.6-48.3170.9-174.753.7000111.3M98 L99 I100 I104 S105 L106 P128 T129 I132 V230 L235M98-L102 VanDerWaalsContact O-CB 3.26Å; M98-L102 WeakPolarHBondContact O-CB 3.5Å; M98-L102 PolarHBondContact O-N 3.09Å; L99-L102 WeakPolarHBondContact O-CB 3.49Å; L99-L102 PolarHBondContact O-N 3.26Å; I100-L102 VanDerWaalsContact C-N 3.29Å; I100-L102 PolarHBondContact O-N 3.04Å; L102-I104 PolarHBondContact O-N 3.43Å; L102-S105 PolarHBondContact O-N 3.1Å; L102-S105 PolarHBondContact O-OG 3.07Å; L102-L106 HydrophobicContact CD1-CD1 4.17Å; L102-L106 HydrophobicContact CD1-CG 4.31Å; L102-L106 HydrophobicContact CG-CD1 3.97Å; L102-L106 WeakPolarHBondContact O-CB 3.42Å; L102-L106 VanDerWaalsContact O-CG 3.29Å; L102-L106 WeakPolarHBondContact O-CG 3.4Å; L102-L106 PolarHBondContact O-N 3.36Å; L102-P128 HydrophobicContact CB-CB 3.83Å; L102-P128 HydrophobicContact CB-CG 4.34Å; L102-P128 HydrophobicContact CD1-CB 4.33Å; L102-T129 HydrophobicContact CD1-CG2 3.53Å; L102-T129 HydrophobicContact CD2-CG2 3.61Å; L102-T129 HydrophobicContact CG-CG2 4.23Å; L102-I132 HydrophobicContact CD2-CD1 4.26Å; L102-V230 HydrophobicContact CD2-CB 4.1Å; L102-V230 HydrophobicContact CD2-CG1 3.51Å; L102-V230 HydrophobicContact CD2-CG2 4.31Å; L102-V230 HydrophobicContact CG-CG1 4.15Å; L102-L235 HydrophobicContact CD1-CD2 4.48Å
103Q97.3Very high96.9Very high6 Ų613.6 Ų13.63%0.0287%0.073CC..Hα-helixtrans-60.4-44.7177.7-166.9-171-6.200111.8L73 L99 I100 S105 L106 I107L73-Q103 HydrophobicContact CB-CG 4.46Å; L73-Q103 HydrophobicContact CD1-CB 3.79Å; L73-Q103 HydrophobicContact CD1-CG 4.34Å; L73-Q103 VanDerWaalsContact CD2-OE1 3.27Å; L73-Q103 VanDerWaalsContact CG-OE1 3.24Å; L99-Q103 PolarHBondContact O-N 3.19Å; I100-Q103 PolarHBondContact O-N 3.46Å; I100-Q103 VanDerWaalsContact O-N 3.16Å; Q103-S105 PolarHBondContact O-N 3.39Å; Q103-L106 PolarHBondContact O-N 2.86Å; Q103-I107 HydrophobicContact CG-CD1 3.78Å; Q103-I107 HydrophobicContact CG-CG1 4.45Å; Q103-I107 WeakPolarHBondContact O-CD1 3.47Å; Q103-I107 WeakPolarHBondContact O-CG1 3.44Å; Q103-I107 PolarHBondContact O-N 2.98Å
104I97.4Very high96.8Very high29 Ų2916.5 Ų16.515%0.1499%0.088CC..Hα-helixtrans-57.3-50.3176.7-66.4160.6000109.9I9 L12 I100 S101 L102 L106 I107 M108I9-I104 HydrophobicContact CG1-CD1 3.9Å; I9-I104 HydrophobicContact CG1-CG1 4.33Å; I9-I104 HydrophobicContact CG1-CG2 4.48Å; L12-I104 HydrophobicContact CD1-CD1 4.29Å; I100-I104 HydrophobicContact CG2-CD1 3.89Å; I100-I104 HydrophobicContact CG2-CG1 4.46Å; I100-I104 VanDerWaalsContact O-CG1 3.3Å; I100-I104 WeakPolarHBondContact O-CG1 3.29Å; I100-I104 PolarHBondContact O-N 3.4Å; S101-I104 PolarHBondContact O-N 3.45Å; L102-I104 PolarHBondContact O-N 3.43Å; I104-L106 VanDerWaalsContact C-N 3.31Å; I104-L106 PolarHBondContact O-N 3.48Å; I104-I107 PolarHBondContact O-N 3.31Å; I104-M108 HydrophobicContact CG2-CG 4.49Å; I104-M108 WeakPolarHBondContact O-CG 3.41Å; I104-M108 PolarHBondContact O-N 3.4Å; I104-M108 VanDerWaalsContact O-N 3.13Å
105S97.6Very high96.6Very high9 Ų913 Ų136%0.0637%0.069CC..Hα-helixtrans-58.2-43.2178.1650000111.9S101 L102 Q103 M108 T109 T124 T125S101-S105 PolarHBondContact O-N 3.12Å; S101-S105 PolarHBondContact O-OG 3.44Å; L102-S105 PolarHBondContact O-N 3.1Å; L102-S105 PolarHBondContact O-OG 3.07Å; Q103-S105 PolarHBondContact O-N 3.39Å; S105-M108 PolarHBondContact O-N 3.49Å; S105-T109 WeakPolarHBondContact O-CG2 3.28Å; S105-T109 PolarHBondContact O-N 2.96Å; S105-T124 WeakPolarHBondContact CB-OG1 3.44Å; S105-T125 WeakPolarHBondContact OG-CG2 3.3Å
106L97.6Very high96.6Very high5 Ų515 Ų153%0.0268%0.08CC..Hα-helixtrans-64.7-44.8180-72.8168.9000113T69 L102 Q103 I104 M108 T109 F110 T125 V230 V234 L235 L238T69-L106 HydrophobicContact CG2-CB 4.34Å; L102-L106 HydrophobicContact CD1-CD1 4.17Å; L102-L106 HydrophobicContact CD1-CG 4.31Å; L102-L106 HydrophobicContact CG-CD1 3.97Å; L102-L106 WeakPolarHBondContact O-CB 3.42Å; L102-L106 VanDerWaalsContact O-CG 3.29Å; L102-L106 WeakPolarHBondContact O-CG 3.4Å; L102-L106 PolarHBondContact O-N 3.36Å; Q103-L106 PolarHBondContact O-N 2.86Å; I104-L106 VanDerWaalsContact C-N 3.31Å; I104-L106 PolarHBondContact O-N 3.48Å; L106-M108 PolarHBondContact O-N 3.32Å; L106-T109 WeakPolarHBondContact CA-OG1 3.29Å; L106-T109 PolarHBondContact O-N 3.46Å; L106-T109 VanDerWaalsContact O-N 3.17Å; L106-T109 PolarHBondContact O-OG1 2.97Å; L106-F110 HydrophobicContact CD2-CE2 4.41Å; L106-F110 WeakPolarHBondContact O-CD2 3.32Å; L106-F110 PolarHBondContact O-N 2.99Å; L106-F110 VanDerWaalsContact O-N 3.12Å; L106-T125 HydrophobicContact CD2-CG2 3.74Å; L106-T125 HydrophobicContact CG-CG2 4.13Å; L106-V230 HydrophobicContact CD1-CG1 3.99Å; L106-V234 HydrophobicContact CD1-CB 4.38Å; L106-V234 HydrophobicContact CD1-CG1 3.91Å; L106-V234 HydrophobicContact CD2-CG1 3.68Å; L106-V234 HydrophobicContact CG-CG1 4.3Å; L106-L235 HydrophobicContact CD2-CD2 3.98Å; L106-L238 HydrophobicContact CD2-CD1 3.81Å; L106-L238 HydrophobicContact CD2-CD2 4.21Å; L106-L238 HydrophobicContact CD2-CG 4.23Å
107I96.6Very high96.5Very high0 Ų016.5 Ų16.50%09%0.087CC..Hα-helixtrans-58.3-43.4176.1-70154000110.5L4 I5 T8 L66 T70 Q103 I104 T111L4-I107 HydrophobicContact CD2-CB 4.15Å; L4-I107 HydrophobicContact CD2-CD1 3.21Å; L4-I107 HydrophobicContact CD2-CG1 3.56Å; L4-I107 HydrophobicContact CD2-CG2 3.51Å; I5-I107 HydrophobicContact CG1-CG2 4.03Å; T8-I107 HydrophobicContact CG2-CD1 3.68Å; L66-I107 HydrophobicContact CD2-CB 4.39Å; L66-I107 HydrophobicContact CD2-CG1 4.45Å; L66-I107 HydrophobicContact CD2-CG2 4.22Å; T70-I107 HydrophobicContact CG2-CD1 4.3Å; T70-I107 HydrophobicContact CG2-CG1 4.35Å; Q103-I107 HydrophobicContact CG-CD1 3.78Å; Q103-I107 HydrophobicContact CG-CG1 4.45Å; Q103-I107 WeakPolarHBondContact O-CD1 3.47Å; Q103-I107 WeakPolarHBondContact O-CG1 3.44Å; Q103-I107 PolarHBondContact O-N 2.98Å; I104-I107 PolarHBondContact O-N 3.31Å; I107-T111 WeakPolarHBondContact O-CG2 3.38Å; I107-T111 PolarHBondContact O-N 3.16Å; I107-T111 PolarHBondContact O-OG1 3.21Å
108M96.2Very high96.4Very high25 Ų2516.1 Ų16.112%0.1238%0.083CC..Hα-helixtrans-67.5-37.8178.9-60.9-70.1-81.800111.4I5 F56 I104 S105 L106 T111 A112 F121I5-M108 HydrophobicContact CD1-CE 4.35Å; I5-M108 HydrophobicContact CD1-SD 3.21Å; I5-M108 WeakPolarHBondContact CD1-SD 3.48Å; I5-M108 HydrophobicContact CG1-SD 3.59Å; I5-M108 VanDerWaalsContact CG1-SD 3.59Å; I5-M108 HydrophobicContact CG2-SD 4.18Å; F56-M108 HydrophobicContact CE1-CE 3.6Å; F56-M108 HydrophobicContact CE1-SD 3.63Å; F56-M108 HydrophobicContact CE2-CE 4.24Å; F56-M108 HydrophobicContact CZ-CE 3.2Å; F56-M108 HydrophobicContact CZ-SD 3.65Å; I104-M108 HydrophobicContact CG2-CG 4.49Å; I104-M108 WeakPolarHBondContact O-CG 3.41Å; I104-M108 PolarHBondContact O-N 3.4Å; I104-M108 VanDerWaalsContact O-N 3.13Å; S105-M108 PolarHBondContact O-N 3.49Å; L106-M108 PolarHBondContact O-N 3.32Å; M108-T111 PolarHBondContact O-N 2.83Å; M108-A112 WeakPolarHBondContact O-CB 3.21Å; M108-A112 PolarHBondContact O-N 3.5Å; M108-F121 HydrophobicContact CB-CB 4.41Å; M108-F121 HydrophobicContact CB-CD1 3.91Å; M108-F121 HydrophobicContact CB-CD2 3.64Å; M108-F121 HydrophobicContact CB-CE1 4.04Å; M108-F121 HydrophobicContact CB-CE2 3.76Å; M108-F121 HydrophobicContact CB-CG 3.73Å; M108-F121 HydrophobicContact CB-CZ 3.98Å; M108-F121 HydrophobicContact CE-CE1 4.23Å; M108-F121 HydrophobicContact CE-CE2 3.82Å; M108-F121 HydrophobicContact CE-CZ 3.47Å; M108-F121 VanDerWaalsContact CE-CZ 3.47Å; M108-F121 HydrophobicContact CG-CE1 4.4Å; M108-F121 HydrophobicContact CG-CZ 4.34Å
109T96.8Very high96.4Very high0 Ų014.8 Ų14.80%08%0.076CC..Hα-helixtrans-59.6-50.5175.355.70000112.8S105 L106 T111 F118 F121 F122 T125 L238S105-T109 WeakPolarHBondContact O-CG2 3.28Å; S105-T109 PolarHBondContact O-N 2.96Å; L106-T109 WeakPolarHBondContact CA-OG1 3.29Å; L106-T109 PolarHBondContact O-N 3.46Å; L106-T109 VanDerWaalsContact O-N 3.17Å; L106-T109 PolarHBondContact O-OG1 2.97Å; T109-T111 PolarHBondContact O-N 2.86Å; T109-F118 WeakPolarHBondContact O-CD2 3.37Å; T109-F121 HydrophobicContact CG2-CB 3.42Å; T109-F121 VanDerWaalsContact CG2-CB 3.42Å; T109-F121 WeakPolarHBondContact CG2-O 3.43Å; T109-F122 HydrophobicContact CG2-CB 4.37Å; T109-F122 VanDerWaalsContact CG2-N 3.31Å; T109-T125 HydrophobicContact CG2-CG2 4.04Å; T109-L238 HydrophobicContact CG2-CD2 4.33Å; T109-L238 VanDerWaalsContact OG1-CD2 3.31Å; T109-L238 WeakPolarHBondContact OG1-CD2 3.19Å
110F95.2Very high96.4Very high0 Ų019 Ų190%010%0.098CC..Hα-helixtrans-71.6-20.7-175.3-69-61.3000113T62 L65 L66 T69 L106 V234 L238 Y241T62-F110 WeakPolarHBondContact CG2-O 3.33Å; L65-F110 HydrophobicContact CB-CD1 3.99Å; L65-F110 HydrophobicContact CB-CD2 4.42Å; L65-F110 HydrophobicContact CB-CE1 3.98Å; L65-F110 HydrophobicContact CB-CE2 4.42Å; L65-F110 HydrophobicContact CB-CG 4.23Å; L65-F110 HydrophobicContact CB-CZ 4.19Å; L65-F110 HydrophobicContact CD1-CD1 3.89Å; L65-F110 HydrophobicContact CD1-CE1 3.66Å; L65-F110 HydrophobicContact CD1-CZ 4.48Å; L65-F110 HydrophobicContact CG-CE1 4.29Å; L66-F110 HydrophobicContact CD2-CB 3.95Å; L66-F110 HydrophobicContact CG-CB 4.03Å; T69-F110 HydrophobicContact CG2-CD2 3.79Å; T69-F110 HydrophobicContact CG2-CE2 3.4Å; T69-F110 HydrophobicContact CG2-CZ 4.47Å; L106-F110 HydrophobicContact CD2-CE2 4.41Å; L106-F110 WeakPolarHBondContact O-CD2 3.32Å; L106-F110 PolarHBondContact O-N 2.99Å; L106-F110 VanDerWaalsContact O-N 3.12Å; F110-V234 HydrophobicContact CE2-CG1 3.61Å; F110-V234 HydrophobicContact CZ-CG1 3.81Å; F110-L238 HydrophobicContact CD1-CD2 4.35Å; F110-L238 HydrophobicContact CE1-CD2 3.64Å; F110-L238 HydrophobicContact CE2-CD2 3.98Å; F110-L238 HydrophobicContact CZ-CD2 3.43Å; F110-L238 VanDerWaalsContact CZ-CD2 3.43Å; F110-L238 HydrophobicContact CZ-CG 4.09Å; F110-Y241 AromaticContact CD1-CD1 3.84Å; F110-Y241 HydrophobicContact CD1-CD1 3.84Å; F110-Y241 HydrophobicContact CD1-CD2 4.04Å; F110-Y241 HydrophobicContact CD1-CE1 4.2Å; F110-Y241 HydrophobicContact CD1-CE2 4.42Å; F110-Y241 AromaticContact CD1-CG 3.75Å; F110-Y241 HydrophobicContact CD1-CG 3.75Å; F110-Y241 HydrophobicContact CE1-CD1 4.18Å; F110-Y241 HydrophobicContact CE1-CD2 4.48Å; F110-Y241 AromaticContact CE1-CG 3.92Å; F110-Y241 HydrophobicContact CE1-CG 3.92Å; F110-Y241 PolarHBondContact O-OH 3.36Å
111T94.2Very high96.4Very high0 Ų021.2 Ų21.20%011%0.107CC..Hα-helixtrans-102.1-8.8-176.655.70000114.1M1 F56 S57 L66 I107 M108 T109 T113M1-T111 HydrophobicContact CB-CG2 4.41Å; M1-T111 HydrophobicContact CE-CG2 3.82Å; M1-T111 HydrophobicContact CG-CG2 3.52Å; M1-T111 HydrophobicContact SD-CG2 3.66Å; F56-T111 VanDerWaalsContact CA-O 3.25Å; F56-T111 WeakPolarHBondContact CA-O 3.39Å; F56-T111 VanDerWaalsContact CD1-OG1 3.31Å; F56-T111 WeakPolarHBondContact CD1-OG1 3.25Å; S57-T111 PolarHBondContact N-O 3.42Å; S57-T111 WeakPolarHBondContact O-CA 3.4Å; L66-T111 HydrophobicContact CD1-CG2 3.44Å; L66-T111 VanDerWaalsContact CD1-CG2 3.44Å; L66-T111 HydrophobicContact CD2-CG2 3.82Å; L66-T111 HydrophobicContact CG-CG2 4.19Å; I107-T111 WeakPolarHBondContact O-CG2 3.38Å; I107-T111 PolarHBondContact O-N 3.16Å; I107-T111 PolarHBondContact O-OG1 3.21Å; M108-T111 PolarHBondContact O-N 2.83Å; T109-T111 PolarHBondContact O-N 2.86Å; T111-T113 PolarHBondContact O-N 2.88Å
112A95.3Very high96.3Very high0 Ų019.6 Ų19.60%010%0.096CC..BIsolated β-bridgetrans-59.8124.3-179.600000111.6M108 M117 F118M108-A112 WeakPolarHBondContact O-CB 3.21Å; M108-A112 PolarHBondContact O-N 3.5Å; A112-M117 HydrophobicContact CB-CB 4.41Å; A112-M117 HydrophobicContact CB-CE 4.03Å; A112-M117 HydrophobicContact CB-CG 4.03Å; A112-M117 HydrophobicContact CB-SD 4.49Å; A112-F118 HydrophobicContact CB-CB 3.92Å
113T92.9Very high96.3Very high1 Ų120.5 Ų20.51%0.00610%0.1CC..SBendtrans-80.2-38.2175.448.40000112.7P54 T55 S57 T111 I176P54-T113 WeakPolarHBondContact O-CB 3.38Å; P54-T113 PolarHBondContact O-OG1 2.85Å; T55-T113 VanDerWaalsContact CA-OG1 3.26Å; T55-T113 WeakPolarHBondContact CA-OG1 3.47Å; T55-T113 PolarHBondContact O-N 2.8Å; T55-T113 PolarHBondContact O-OG1 3.38Å; S57-T113 WeakPolarHBondContact OG-CG2 3.29Å; T111-T113 PolarHBondContact O-N 2.88Å; T113-I176 WeakPolarHBondContact O-CB 3.33Å; T113-I176 WeakPolarHBondContact O-CD1 3.41Å; T113-I176 WeakPolarHBondContact O-CG1 3.13Å; T113-I176 PolarHBondContact O-N 3.1Å
114E94.1Very high96.3Very high89 Ų8922.3 Ų22.342%0.41611%0.112SC..BIsolated β-bridgetrans-90.3133.9177.7-62.9-171.7164.500111.4I116 M117 F118 L174 N175E114-I116 VanDerWaalsContact C-N 3.3Å; E114-I116 PolarHBondContact O-N 2.91Å; E114-M117 HydrophobicContact CB-CB 4.26Å; E114-M117 HydrophobicContact CB-CE 4.17Å; E114-M117 WeakPolarHBondContact O-CB 3.41Å; E114-M117 PolarHBondContact O-N 2.7Å; E114-F118 PolarHBondContact O-N 3.26Å; E114-L174 WeakPolarHBondContact CA-O 3.31Å; E114-N175 HydrophobicContact CG-CB 4.4Å
115L94.8Very high96.3Very high2 Ų221 Ų211%0.0110%0.104CC..Hα-helixtrans-65-30-176.6-67.2172.5000113.6F118 Y119 L164 L174 I176 L179 R245 L246 I249L115-F118 WeakPolarHBondContact O-CB 3.26Å; L115-F118 PolarHBondContact O-N 3.27Å; L115-Y119 PolarHBondContact O-N 2.98Å; L115-L164 HydrophobicContact CB-CD2 3.66Å; L115-L164 HydrophobicContact CD1-CD2 3.96Å; L115-L164 HydrophobicContact CG-CD2 4.42Å; L115-L174 HydrophobicContact CB-CB 4.26Å; L115-L174 PolarHBondContact N-O 2.75Å; L115-I176 HydrophobicContact CD2-CD1 4.07Å; L115-I176 HydrophobicContact CD2-CG1 3.82Å; L115-I176 HydrophobicContact CG-CG1 4.1Å; L115-L179 HydrophobicContact CD1-CD1 3.5Å; L115-L179 VanDerWaalsContact CD1-CD1 3.5Å; L115-L179 HydrophobicContact CG-CD1 4.23Å; L115-R245 HydrophobicContact CD2-CB 4.45Å; L115-L246 HydrophobicContact CD1-CD2 3.76Å; L115-L246 HydrophobicContact CD2-CD2 4.15Å; L115-I249 HydrophobicContact CD1-CD1 3.74Å
116I96.3Very high96.3Very high46 Ų4621.1 Ų21.124%0.23611%0.105CC..Hα-helixtrans-70.3-38.3175.8-164.265000111.6E114 Y119 I120 L161 L174E114-I116 VanDerWaalsContact C-N 3.3Å; E114-I116 PolarHBondContact O-N 2.91Å; I116-Y119 WeakPolarHBondContact O-CB 2.9Å; I116-Y119 PolarHBondContact O-N 3.38Å; I116-I120 WeakPolarHBondContact O-CG1 3.4Å; I116-I120 PolarHBondContact O-N 3.31Å; I116-L161 HydrophobicContact CD1-CD1 3.49Å; I116-L161 VanDerWaalsContact CD1-CD1 3.49Å; I116-L174 HydrophobicContact CB-CD1 3.95Å; I116-L174 HydrophobicContact CG2-CD1 4.47Å
117M96.3Very high96.3Very high31 Ų3126.6 Ų26.615%0.15313%0.133CC..Hα-helixtrans-66.8-40.6173.8176.2174.442.700110.6T55 F56 A112 E114 Y119 I120 F121T55-M117 WeakPolarHBondContact O-CE 3.15Å; F56-M117 HydrophobicContact CE1-SD 4.35Å; A112-M117 HydrophobicContact CB-CB 4.41Å; A112-M117 HydrophobicContact CB-CE 4.03Å; A112-M117 HydrophobicContact CB-CG 4.03Å; A112-M117 HydrophobicContact CB-SD 4.49Å; E114-M117 HydrophobicContact CB-CB 4.26Å; E114-M117 HydrophobicContact CB-CE 4.17Å; E114-M117 WeakPolarHBondContact O-CB 3.41Å; E114-M117 PolarHBondContact O-N 2.7Å; M117-Y119 VanDerWaalsContact C-N 3.33Å; M117-Y119 PolarHBondContact O-N 2.91Å; M117-I120 PolarHBondContact O-N 3.1Å; M117-F121 HydrophobicContact CG-CD2 3.64Å; M117-F121 HydrophobicContact CG-CE2 3.37Å; M117-F121 HydrophobicContact CG-CZ 4.48Å; M117-F121 WeakPolarHBondContact O-CD2 3.31Å; M117-F121 PolarHBondContact O-N 3.46Å; M117-F121 HydrophobicContact SD-CE2 3.91Å
118F96.7Very high96.3Very high6 Ų627 Ų273%0.02614%0.136CC..Hα-helixtrans-55.5-48.3169.9165.8-106.6000111.2T109 A112 E114 L115 F121 F122 F203 Y241T109-F118 WeakPolarHBondContact O-CD2 3.37Å; A112-F118 HydrophobicContact CB-CB 3.92Å; E114-F118 PolarHBondContact O-N 3.26Å; L115-F118 WeakPolarHBondContact O-CB 3.26Å; L115-F118 PolarHBondContact O-N 3.27Å; F118-F121 PolarHBondContact O-N 2.86Å; F118-F122 HydrophobicContact CE2-CB 4.49Å; F118-F122 HydrophobicContact CZ-CB 4.48Å; F118-F122 HydrophobicContact CZ-CD2 4.27Å; F118-F122 WeakPolarHBondContact O-CB 3.38Å; F118-F122 PolarHBondContact O-N 3.18Å; F118-F203 AromaticContact CE1-CE1 3.66Å; F118-F203 HydrophobicContact CE1-CE1 3.66Å; F118-F203 AromaticContact CE1-CZ 3.74Å; F118-F203 HydrophobicContact CE1-CZ 3.74Å; F118-F203 AromaticContact CZ-CE1 3.83Å; F118-F203 HydrophobicContact CZ-CE1 3.83Å; F118-F203 HydrophobicContact CZ-CZ 4.36Å; F118-Y241 HydrophobicContact CD2-CD1 4.3Å; F118-Y241 AromaticContact CD2-CE1 3.9Å; F118-Y241 HydrophobicContact CD2-CE1 3.9Å; F118-Y241 AromaticContact CE2-CD1 3.57Å; F118-Y241 HydrophobicContact CE2-CD1 3.57Å; F118-Y241 AromaticContact CE2-CE1 3.65Å; F118-Y241 HydrophobicContact CE2-CE1 3.65Å; F118-Y241 HydrophobicContact CZ-CD1 4.11Å; F118-Y241 HydrophobicContact CZ-CE1 4.43Å
119Y97.4Very high96.3Very high19 Ų1926.1 Ų26.18%0.07513%0.131CC..Hα-helixtrans-59.2-48.4177.4172.4-91.3000112.6L115 I116 M117 F121 F122 E123 S157 L160 L161 L164L115-Y119 PolarHBondContact O-N 2.98Å; I116-Y119 WeakPolarHBondContact O-CB 2.9Å; I116-Y119 PolarHBondContact O-N 3.38Å; M117-Y119 VanDerWaalsContact C-N 3.33Å; M117-Y119 PolarHBondContact O-N 2.91Å; Y119-F121 PolarHBondContact O-N 3.11Å; Y119-F122 WeakPolarHBondContact O-CB 3.44Å; Y119-F122 PolarHBondContact O-N 3.03Å; Y119-E123 HydrophobicContact CD2-CG 4.49Å; Y119-E123 HydrophobicContact CE1-CG 4.11Å; Y119-E123 HydrophobicContact CE2-CG 3.94Å; Y119-E123 PolarHBondContact O-N 3.49Å; Y119-S157 VanDerWaalsContact CE2-O 3.28Å; Y119-S157 WeakPolarHBondContact CE2-O 3.42Å; Y119-L160 HydrophobicContact CD2-CD2 3.86Å; Y119-L160 HydrophobicContact CD2-CG 4.16Å; Y119-L160 HydrophobicContact CE2-CD2 4.36Å; Y119-L161 HydrophobicContact CD1-CD1 3.84Å; Y119-L161 HydrophobicContact CE1-CB 3.98Å; Y119-L161 HydrophobicContact CE1-CD1 3.72Å; Y119-L161 HydrophobicContact CE1-CD2 4.03Å; Y119-L161 HydrophobicContact CE1-CG 4.12Å; Y119-L161 HydrophobicContact CE2-CB 3.99Å; Y119-L164 HydrophobicContact CD2-CD1 4.46Å; Y119-L164 HydrophobicContact CG-CD1 4.34Å
120I98.1Very high96.4Very high91 Ų9128.3 Ų28.347%0.46714%0.143SC..Hα-helixtrans-57.6-51.5179.2-68.7165000109.5I116 M117 F122 E123 T124I116-I120 WeakPolarHBondContact O-CG1 3.4Å; I116-I120 PolarHBondContact O-N 3.31Å; M117-I120 PolarHBondContact O-N 3.1Å; I120-F122 VanDerWaalsContact C-N 3.31Å; I120-F122 PolarHBondContact O-N 3.49Å; I120-E123 PolarHBondContact O-N 3.33Å; I120-T124 HydrophobicContact CG2-CG2 4.16Å; I120-T124 WeakPolarHBondContact O-CG2 3.41Å; I120-T124 PolarHBondContact O-N 3.48Å
121F97.7Very high96.5Very high48 Ų4829.5 Ų29.521%0.21115%0.153CC..Hα-helixtrans-66.3-35.8179.8-68.9-54.2000112.2M108 T109 M117 F118 Y119 E123 T124 T125M108-F121 HydrophobicContact CB-CB 4.41Å; M108-F121 HydrophobicContact CB-CD1 3.91Å; M108-F121 HydrophobicContact CB-CD2 3.64Å; M108-F121 HydrophobicContact CB-CE1 4.04Å; M108-F121 HydrophobicContact CB-CE2 3.76Å; M108-F121 HydrophobicContact CB-CG 3.73Å; M108-F121 HydrophobicContact CB-CZ 3.98Å; M108-F121 HydrophobicContact CE-CE1 4.23Å; M108-F121 HydrophobicContact CE-CE2 3.82Å; M108-F121 HydrophobicContact CE-CZ 3.47Å; M108-F121 VanDerWaalsContact CE-CZ 3.47Å; M108-F121 HydrophobicContact CG-CE1 4.4Å; M108-F121 HydrophobicContact CG-CZ 4.34Å; T109-F121 HydrophobicContact CG2-CB 3.42Å; T109-F121 VanDerWaalsContact CG2-CB 3.42Å; T109-F121 WeakPolarHBondContact CG2-O 3.43Å; M117-F121 HydrophobicContact CG-CD2 3.64Å; M117-F121 HydrophobicContact CG-CE2 3.37Å; M117-F121 HydrophobicContact CG-CZ 4.48Å; M117-F121 WeakPolarHBondContact O-CD2 3.31Å; M117-F121 PolarHBondContact O-N 3.46Å; M117-F121 HydrophobicContact SD-CE2 3.91Å; F118-F121 PolarHBondContact O-N 2.86Å; Y119-F121 PolarHBondContact O-N 3.11Å; F121-E123 VanDerWaalsContact C-N 3.33Å; F121-E123 PolarHBondContact O-N 3.39Å; F121-T124 VanDerWaalsContact CA-OG1 3.28Å; F121-T124 WeakPolarHBondContact CA-OG1 3.41Å; F121-T124 PolarHBondContact O-N 3.07Å; F121-T124 VanDerWaalsContact O-N 3.13Å; F121-T124 PolarHBondContact O-OG1 2.94Å; F121-T125 WeakPolarHBondContact O-CG2 3.3Å; F121-T125 PolarHBondContact O-N 3.32Å; F121-T125 VanDerWaalsContact O-N 3.14Å
122F97Very high96.6Very high0 Ų029.5 Ų29.50%015%0.153CC..Hα-helixtrans-59.7-44.3178165.7-94.3000111.2T109 F118 Y119 I120 T125 F203 K206 L238T109-F122 HydrophobicContact CG2-CB 4.37Å; T109-F122 VanDerWaalsContact CG2-N 3.31Å; F118-F122 HydrophobicContact CE2-CB 4.49Å; F118-F122 HydrophobicContact CZ-CB 4.48Å; F118-F122 HydrophobicContact CZ-CD2 4.27Å; F118-F122 WeakPolarHBondContact O-CB 3.38Å; F118-F122 PolarHBondContact O-N 3.18Å; Y119-F122 WeakPolarHBondContact O-CB 3.44Å; Y119-F122 PolarHBondContact O-N 3.03Å; I120-F122 VanDerWaalsContact C-N 3.31Å; I120-F122 PolarHBondContact O-N 3.49Å; F122-T125 PolarHBondContact O-OG1 3.22Å; F122-F203 HydrophobicContact CE2-CD1 4.21Å; F122-F203 HydrophobicContact CE2-CE1 4.12Å; F122-F203 HydrophobicContact CZ-CD1 4.28Å; F122-F203 HydrophobicContact CZ-CE1 4.21Å; F122-K206 HydrophobicContact CE2-CD 4.15Å; F122-K206 HydrophobicContact CE2-CG 3.72Å; F122-K206 HydrophobicContact CZ-CD 4.03Å; F122-K206 VanDerWaalsContact CZ-CE 3.43Å; F122-K206 HydrophobicContact CZ-CG 3.45Å; F122-K206 VanDerWaalsContact CZ-CG 3.45Å; F122-L238 HydrophobicContact CD2-CB 4.05Å; F122-L238 HydrophobicContact CD2-CD1 4.28Å; F122-L238 HydrophobicContact CE2-CB 4.09Å
123E97.1Very high96.7Very high24 Ų2429.6 Ų29.611%0.11215%0.153CC..Hα-helixtrans-72.1-35.7173.3-71.3-57.9136.200112.3Y119 I120 F121 T125 L126 S157Y119-E123 HydrophobicContact CD2-CG 4.49Å; Y119-E123 HydrophobicContact CE1-CG 4.11Å; Y119-E123 HydrophobicContact CE2-CG 3.94Å; Y119-E123 PolarHBondContact O-N 3.49Å; I120-E123 PolarHBondContact O-N 3.33Å; F121-E123 VanDerWaalsContact C-N 3.33Å; F121-E123 PolarHBondContact O-N 3.39Å; E123-T125 PolarHBondContact O-N 3.35Å; E123-T125 VanDerWaalsContact O-N 3.12Å; E123-L126 VanDerWaalsContact O-CB 3.25Å; E123-L126 WeakPolarHBondContact O-CB 3.46Å; E123-L126 PolarHBondContact O-N 3.23Å; E123-L126 WeakPolarHBondContact OE2-CD1 3.43Å; E123-S157 WeakPolarHBondContact OE1-CB 3.37Å; E123-S157 PolarHBondContact OE1-OG 2.99Å
124T97.4Very high96.9Very high44 Ų4431.1 Ų31.127%0.2716%0.163SC..Hα-helixtrans-59.4-28.5177.569.70000112.9S105 I120 F121 L126 I127 P128S105-T124 WeakPolarHBondContact CB-OG1 3.44Å; I120-T124 HydrophobicContact CG2-CG2 4.16Å; I120-T124 WeakPolarHBondContact O-CG2 3.41Å; I120-T124 PolarHBondContact O-N 3.48Å; F121-T124 VanDerWaalsContact CA-OG1 3.28Å; F121-T124 WeakPolarHBondContact CA-OG1 3.41Å; F121-T124 PolarHBondContact O-N 3.07Å; F121-T124 VanDerWaalsContact O-N 3.13Å; F121-T124 PolarHBondContact O-OG1 2.94Å; T124-L126 PolarHBondContact O-N 3.02Å; T124-I127 PolarHBondContact O-N 2.96Å; T124-I127 VanDerWaalsContact O-N 3.17Å; T124-P128 WeakPolarHBondContact O-CD 3.42Å
125T97.7Very high97Very high0 Ų033.1 Ų33.10%017%0.166CC..THydrogen-bonded Turntrans-61.6-23.7175.7680000112.9S105 L106 T109 F121 F122 E123 I127 T129 L235 L238S105-T125 WeakPolarHBondContact OG-CG2 3.3Å; L106-T125 HydrophobicContact CD2-CG2 3.74Å; L106-T125 HydrophobicContact CG-CG2 4.13Å; T109-T125 HydrophobicContact CG2-CG2 4.04Å; F121-T125 WeakPolarHBondContact O-CG2 3.3Å; F121-T125 PolarHBondContact O-N 3.32Å; F121-T125 VanDerWaalsContact O-N 3.14Å; F122-T125 PolarHBondContact O-OG1 3.22Å; E123-T125 PolarHBondContact O-N 3.35Å; 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-CG2 3.33Å; T125-T129 PolarHBondContact O-N 3.12Å; T125-T129 PolarHBondContact O-OG1 3.05Å; T125-L235 HydrophobicContact CG2-CD2 4.48Å; T125-L238 HydrophobicContact CG2-CD1 4.15Å
126L96.8Very high97.1Very high13 Ų1334 Ų347%0.06817%0.17CC..Hα-helixtrans-67.4-32.7177.8-69.2177.7000112.5E123 T124 T129 L130 L149 T153E123-L126 VanDerWaalsContact O-CB 3.25Å; E123-L126 WeakPolarHBondContact O-CB 3.46Å; E123-L126 PolarHBondContact O-N 3.23Å; E123-L126 WeakPolarHBondContact OE2-CD1 3.43Å; T124-L126 PolarHBondContact O-N 3.02Å; L126-T129 VanDerWaalsContact C-OG1 3.32Å; L126-T129 VanDerWaalsContact CA-OG1 3.25Å; L126-T129 WeakPolarHBondContact CA-OG1 3.45Å; L126-T129 PolarHBondContact O-N 3.4Å; L126-T129 PolarHBondContact O-OG1 3.16Å; L126-L130 WeakPolarHBondContact O-CB 3.5Å; L126-L130 PolarHBondContact O-N 3.42Å; L126-L149 HydrophobicContact CD2-CD2 3.8Å; L126-T153 WeakPolarHBondContact CD1-OG1 3.18Å; L126-T153 HydrophobicContact CD2-CG2 4.12Å
127I96.8Very high97Very high119 Ų11932 Ų3261%0.6116%0.16SC*.Hα-helixtrans-67.8-53-173.5-59.8166.9000110.9T124 T125 T129 A131T124-I127 PolarHBondContact O-N 2.96Å; T124-I127 VanDerWaalsContact O-N 3.17Å; T125-I127 VanDerWaalsContact C-N 3.32Å; T125-I127 PolarHBondContact O-N 3.23Å; I127-T129 VanDerWaalsContact C-N 3.31Å; I127-T129 PolarHBondContact O-N 3.33Å; I127-A131 PolarHBondContact O-N 3.3Å; I127-A131 VanDerWaalsContact O-N 3.16Å
128P97.4Very high96.7Very high10 Ų1033.6 Ų33.67%0.06517%0.169CC..Hα-helixtrans-63.4-36.8176.5-22.534.4000112.8M98 S101 L102 T124 A131 I132M98-P128 WeakPolarHBondContact O-CB 3.36Å; S101-P128 WeakPolarHBondContact OG-CG 3.22Å; L102-P128 HydrophobicContact CB-CB 3.83Å; L102-P128 HydrophobicContact CB-CG 4.34Å; L102-P128 HydrophobicContact CD1-CB 4.33Å; T124-P128 WeakPolarHBondContact O-CD 3.42Å; P128-A131 PolarHBondContact O-N 2.84Å; P128-I132 WeakPolarHBondContact O-CD1 3.19Å; P128-I132 VanDerWaalsContact O-CG1 3.22Å; P128-I132 WeakPolarHBondContact O-CG1 3.34Å; P128-I132 PolarHBondContact O-N 2.59Å
129T97.1Very high96.6Very high6 Ų636.6 Ų36.64%0.03718%0.183CC..Hα-helixtrans-69.2-45.6-177.752.40000111.9L102 T125 L126 I127 A131 I132 I133 L235L102-T129 HydrophobicContact CD1-CG2 3.53Å; L102-T129 HydrophobicContact CD2-CG2 3.61Å; L102-T129 HydrophobicContact CG-CG2 4.23Å; T125-T129 WeakPolarHBondContact O-CG2 3.33Å; T125-T129 PolarHBondContact O-N 3.12Å; T125-T129 PolarHBondContact O-OG1 3.05Å; L126-T129 VanDerWaalsContact C-OG1 3.32Å; L126-T129 VanDerWaalsContact CA-OG1 3.25Å; L126-T129 WeakPolarHBondContact CA-OG1 3.45Å; L126-T129 PolarHBondContact O-N 3.4Å; L126-T129 PolarHBondContact O-OG1 3.16Å; I127-T129 VanDerWaalsContact C-N 3.31Å; I127-T129 PolarHBondContact O-N 3.33Å; T129-A131 VanDerWaalsContact C-N 3.29Å; T129-A131 PolarHBondContact O-N 3.15Å; T129-I132 PolarHBondContact O-N 3.42Å; T129-I132 VanDerWaalsContact O-N 3.17Å; T129-I133 VanDerWaalsContact O-CG1 3.28Å; T129-I133 WeakPolarHBondContact O-CG1 3.49Å; T129-I133 PolarHBondContact O-N 3.33Å; T129-L235 HydrophobicContact CG2-CD1 3.31Å; T129-L235 HydrophobicContact CG2-CD2 4.33Å; T129-L235 HydrophobicContact CG2-CG 4.48Å
130L97.1Very high96.3Very high45 Ų4540 Ų4024%0.23621%0.208CC..Hα-helixtrans-57.5-44.9174.4-17772.2000111L126 I132 I133 T134 G146 L150L126-L130 WeakPolarHBondContact O-CB 3.5Å; L126-L130 PolarHBondContact O-N 3.42Å; L130-I132 PolarHBondContact O-N 3.47Å; L130-I133 PolarHBondContact O-N 3.36Å; L130-T134 HydrophobicContact CD1-CG2 3.86Å; L130-T134 HydrophobicContact CG-CG2 4.21Å; L130-T134 WeakPolarHBondContact O-CB 3.29Å; L130-T134 WeakPolarHBondContact O-CG2 3.29Å; L130-T134 PolarHBondContact O-N 3.48Å; L130-T134 PolarHBondContact O-OG1 3.02Å; L130-G146 WeakPolarHBondContact CD1-O 3.4Å; L130-L150 HydrophobicContact CD1-CB 4.45Å; L130-L150 HydrophobicContact CD2-CD1 3.69Å
131A97.4Very high96.1Very high25 Ų2540.5 Ų40.521%0.20721%0.208CC..Hα-helixtrans-62.4-42.9177.200000111.9M98 I127 P128 T129 I133 R135M98-A131 HydrophobicContact CE-CB 3.21Å; I127-A131 PolarHBondContact O-N 3.3Å; I127-A131 VanDerWaalsContact O-N 3.16Å; P128-A131 PolarHBondContact O-N 2.84Å; T129-A131 VanDerWaalsContact C-N 3.29Å; T129-A131 PolarHBondContact O-N 3.15Å; A131-I133 PolarHBondContact O-N 3.16Å; A131-R135 WeakPolarHBondContact O-CB 3.22Å; A131-R135 PolarHBondContact O-N 3.13Å; A131-R135 VanDerWaalsContact O-N 3.09Å
132I97.4Very high96Very high1 Ų141.7 Ų41.71%0.00521%0.211CC..Hα-helixtrans-59.8-46.6177.5-70.8162.1000111.1Y95 M98 L99 L102 P128 T129 L130 W136 P224Y95-I132 HydrophobicContact CE2-CG2 4.25Å; M98-I132 HydrophobicContact CB-CD1 4.15Å; M98-I132 HydrophobicContact CB-CG1 3.97Å; L99-I132 HydrophobicContact CD2-CD1 3.7Å; L99-I132 HydrophobicContact CG-CD1 4.33Å; L102-I132 HydrophobicContact CD2-CD1 4.26Å; P128-I132 WeakPolarHBondContact O-CD1 3.19Å; P128-I132 VanDerWaalsContact O-CG1 3.22Å; P128-I132 WeakPolarHBondContact O-CG1 3.34Å; P128-I132 PolarHBondContact O-N 2.59Å; T129-I132 PolarHBondContact O-N 3.42Å; T129-I132 VanDerWaalsContact O-N 3.17Å; L130-I132 PolarHBondContact O-N 3.47Å; I132-W136 PolarHBondContact O-N 2.85Å; I132-W136 VanDerWaalsContact O-N 3.15Å; I132-P224 HydrophobicContact CG2-CG 3.58Å
133I97.1Very high96Very high1 Ų146.9 Ų46.91%0.00524%0.238CC..Hα-helixtrans-69-55-177.3-61.4164.8000110.9T129 L130 A131 R135 G137 L149 A223 L231T129-I133 VanDerWaalsContact O-CG1 3.28Å; T129-I133 WeakPolarHBondContact O-CG1 3.49Å; T129-I133 PolarHBondContact O-N 3.33Å; L130-I133 PolarHBondContact O-N 3.36Å; A131-I133 PolarHBondContact O-N 3.16Å; I133-R135 VanDerWaalsContact C-N 3.32Å; I133-R135 PolarHBondContact O-N 3.46Å; I133-G137 WeakPolarHBondContact O-CA 3.37Å; I133-G137 PolarHBondContact O-N 3.17Å; I133-L149 HydrophobicContact CD1-CD1 3.85Å; I133-A223 HydrophobicContact CG1-CB 4.06Å; I133-L231 HydrophobicContact CD1-CD1 4.04Å
134T97.1Very high96Very high34 Ų3449.7 Ų49.721%0.20925%0.254CS..Hα-helixtrans-70.4-28-171.757.40000113L130 R142 L143L130-T134 HydrophobicContact CD1-CG2 3.86Å; L130-T134 HydrophobicContact CG-CG2 4.21Å; L130-T134 WeakPolarHBondContact O-CB 3.29Å; L130-T134 WeakPolarHBondContact O-CG2 3.29Å; L130-T134 PolarHBondContact O-N 3.48Å; L130-T134 PolarHBondContact O-OG1 3.02Å; T134-R142 WeakPolarHBondContact O-CD 3.2Å; T134-R142 PolarHBondContact O-NE 3.39Å; T134-R142 VanDerWaalsContact O-NE 3.09Å; T134-L143 HydrophobicContact CG2-CD2 4.36Å
135R96.4Very high95.9Very high131 Ų13147.6 Ų47.649%0.49424%0.242SC..Hα-helixtrans-94.2-42-177.2-175.161.4175.6-178.3-0.3113.9A131 I133 R142A131-R135 WeakPolarHBondContact O-CB 3.22Å; A131-R135 PolarHBondContact O-N 3.13Å; A131-R135 VanDerWaalsContact O-N 3.09Å; I133-R135 VanDerWaalsContact C-N 3.32Å; I133-R135 PolarHBondContact O-N 3.46Å; R135-R142 PolarHBondContact O-NH1 3.48Å
136W96.4Very high95.8Very high21 Ų2147.7 Ų47.78%0.0824%0.242CC..Hα-helixtrans-112.38.2-174.8-64.8-87.7000113.9L84 L94 Y95 M98 I132 P224L84-W136 HydrophobicContact CD2-CG 4.46Å; L94-W136 HydrophobicContact CB-CH2 4.39Å; L94-W136 HydrophobicContact CB-CZ2 4.35Å; Y95-W136 HydrophobicContact CD2-CB 4.34Å; Y95-W136 AromaticContact CD2-CD2 3.46Å; Y95-W136 HydrophobicContact CD2-CD2 3.46Å; Y95-W136 VanDerWaalsContact CD2-CD2 3.46Å; Y95-W136 AromaticContact CD2-CE2 3.64Å; Y95-W136 AromaticContact CD2-CE3 3.76Å; Y95-W136 HydrophobicContact CD2-CE3 3.76Å; Y95-W136 AromaticContact CD2-CG 3.75Å; Y95-W136 HydrophobicContact CD2-CG 3.75Å; Y95-W136 HydrophobicContact CD2-CH2 4.31Å; Y95-W136 HydrophobicContact CD2-CZ2 4.08Å; Y95-W136 HydrophobicContact CD2-CZ3 4.17Å; Y95-W136 HydrophobicContact CE2-CB 4.17Å; Y95-W136 HydrophobicContact CE2-CD2 4.13Å; Y95-W136 HydrophobicContact CE2-CE3 4.37Å; Y95-W136 HydrophobicContact CE2-CG 4.07Å; Y95-W136 HydrophobicContact CG-CD2 4.44Å; Y95-W136 HydrophobicContact CG-CZ2 4.37Å; M98-W136 HydrophobicContact CG-CH2 4.26Å; M98-W136 HydrophobicContact CG-CZ3 4.3Å; I132-W136 PolarHBondContact O-N 2.85Å; I132-W136 VanDerWaalsContact O-N 3.15Å; W136-P224 HydrophobicContact CB-CB 4.5Å; W136-P224 HydrophobicContact CB-CG 4.1Å; W136-P224 WeakPolarHBondContact O-CB 3.33Å
137G94.3Very high95.8Very high3 Ų350.1 Ų50.13%0.03126%0.258CS..  trans-67150165.900000111.9I133 R142 E222I133-G137 WeakPolarHBondContact O-CA 3.37Å; I133-G137 PolarHBondContact O-N 3.17Å; G137-R142 VanDerWaalsContact O-CD 3.23Å; G137-R142 WeakPolarHBondContact O-CD 3.3Å; G137-R142 PolarHBondContact O-NH1 2.91Å; G137-E222 WeakPolarHBondContact CA-O 3.37Å
138N90.9Very high95.7Very high64 Ų6447.9 Ų47.934%0.34224%0.242SC..SBendtrans-81.6-38.8-172.6-72.3-19.7000113.9H83 Y334H83-N138 PolarHBondContact CE1-OD1 3.43Å; H83-N138 PolarHBondContact NE2-OD1 3.27Å; N138-Y334 VanDerWaalsContact ND2-CE1 3.29Å; N138-Y334 WeakPolarHBondContact ND2-CE1 3.44Å; N138-Y334 PolarHBondContact ND2-OH 3.01Å; N138-Y334 VanDerWaalsContact ND2-OH 3.1Å
139Q93.4Very high95.6Very high70 Ų7047.6 Ų47.633%0.32724%0.24SC..SBendtrans-98.5158.5-172.3-56.1-66.4-10.400112.1E141 R142 E222Q139-E141 VanDerWaalsContact CB-OE2 3.29Å; Q139-E141 WeakPolarHBondContact CB-OE2 3.11Å; Q139-E141 PolarHBondContact O-N 2.83Å; Q139-R142 WeakPolarHBondContact O-CB 3.28Å; Q139-R142 VanDerWaalsContact O-CD 3.29Å; Q139-R142 WeakPolarHBondContact O-CD 3.35Å; Q139-R142 WeakPolarHBondContact O-CG 3.17Å; Q139-R142 PolarHBondContact O-N 3.46Å; Q139-E222 WeakPolarHBondContact CB-OE2 3.43Å; Q139-E222 VanDerWaalsContact CG-OE2 3.28Å; Q139-E222 WeakPolarHBondContact CG-OE2 3.42Å
140P91.7Very high95.6Very high91 Ų9149.5 Ų49.559%0.59125%0.25SC*.THydrogen-bonded Turntrans-62.1-29179.424.7-34.5000113.5R142 L143P140-R142 PolarHBondContact O-N 2.96Å; P140-L143 PolarHBondContact O-N 2.92Å
141E94.6Very high95.6Very high100 Ų10053.1 Ų53.147%0.46726%0.264SS..THydrogen-bonded Turntrans-62.7-11.4179.7-65.176.4-16600113.2Q139 L143 N144 A145 E222Q139-E141 VanDerWaalsContact CB-OE2 3.29Å; Q139-E141 WeakPolarHBondContact CB-OE2 3.11Å; Q139-E141 PolarHBondContact O-N 2.83Å; E141-L143 PolarHBondContact O-N 3.07Å; E141-L143 VanDerWaalsContact O-N 3.16Å; E141-N144 WeakPolarHBondContact O-CB 2.98Å; E141-N144 PolarHBondContact O-N 3.13Å; E141-A145 PolarHBondContact O-N 2.94Å; E141-E222 HydrophobicContact CB-CG 4.12Å
142R95.7Very high95.5Very high73 Ų7354.8 Ų54.828%0.27527%0.265SS..Hα-helixtrans-54.2-32.4175.971.8-170.6178.1168.65.8113.8T134 R135 G137 Q139 P140 G146 E222T134-R142 WeakPolarHBondContact O-CD 3.2Å; T134-R142 PolarHBondContact O-NE 3.39Å; T134-R142 VanDerWaalsContact O-NE 3.09Å; R135-R142 PolarHBondContact O-NH1 3.48Å; G137-R142 VanDerWaalsContact O-CD 3.23Å; G137-R142 WeakPolarHBondContact O-CD 3.3Å; G137-R142 PolarHBondContact O-NH1 2.91Å; Q139-R142 WeakPolarHBondContact O-CB 3.28Å; Q139-R142 VanDerWaalsContact O-CD 3.29Å; Q139-R142 WeakPolarHBondContact O-CD 3.35Å; Q139-R142 WeakPolarHBondContact O-CG 3.17Å; Q139-R142 PolarHBondContact O-N 3.46Å; P140-R142 PolarHBondContact O-N 2.96Å; R142-G146 PolarHBondContact O-N 3.21Å; R142-E222 HydrophobicContact CB-CB 4.15Å
143L95.6Very high95.4Very high109 Ų10954.8 Ų54.857%0.57127%0.266SS*.Hα-helixtrans-69.1-46.8176.5-67.3178.4000110.4T134 P140 E141 G146 T147T134-L143 HydrophobicContact CG2-CD2 4.36Å; P140-L143 PolarHBondContact O-N 2.92Å; E141-L143 PolarHBondContact O-N 3.07Å; E141-L143 VanDerWaalsContact O-N 3.16Å; L143-G146 PolarHBondContact O-N 2.94Å; L143-T147 WeakPolarHBondContact O-CG2 3.48Å; L143-T147 PolarHBondContact O-N 3.4Å
144N96.9Very high95.4Very high83 Ų8357.5 Ų57.544%0.44428%0.28SS..Hα-helixtrans-62.5-46.6176.8-163.77.8000110.5E141 G146 T147 Y148E141-N144 WeakPolarHBondContact O-CB 2.98Å; E141-N144 PolarHBondContact O-N 3.13Å; N144-G146 VanDerWaalsContact C-N 3.28Å; N144-G146 PolarHBondContact O-N 2.84Å; N144-T147 WeakPolarHBondContact CA-OG1 3.4Å; N144-T147 PolarHBondContact O-N 3.32Å; N144-T147 PolarHBondContact O-OG1 3.13Å; N144-T147 PolarHBondContact OD1-OG1 3.04Å; N144-Y148 VanDerWaalsContact O-CD2 3.24Å; N144-Y148 WeakPolarHBondContact O-CD2 3.5Å; N144-Y148 PolarHBondContact O-N 3.38Å; N144-Y148 WeakPolarHBondContact OD1-CD2 3.37Å; N144-Y148 WeakPolarHBondContact OD1-CE2 3.39Å
145A96.1Very high95.3Very high1 Ų160.9 Ų60.91%0.00830%0.3CS..Hα-helixtrans-56.4-41.2174.500000112.4E141 Y148 L149 K218 E222E141-A145 PolarHBondContact O-N 2.94Å; A145-Y148 PolarHBondContact O-N 2.89Å; A145-L149 WeakPolarHBondContact O-CB 3.27Å; A145-L149 PolarHBondContact O-N 2.91Å; A145-K218 HydrophobicContact CB-CB 4Å; A145-E222 HydrophobicContact CB-CB 4.23Å; A145-E222 HydrophobicContact CB-CG 4.35Å
146G95.9Very high95.3Very high2 Ų255 Ų552%0.02128%0.28CS..Hα-helixtrans-61-43.817300000112.9L130 R142 L143 N144 L149 L150L130-G146 WeakPolarHBondContact CD1-O 3.4Å; R142-G146 PolarHBondContact O-N 3.21Å; L143-G146 PolarHBondContact O-N 2.94Å; N144-G146 VanDerWaalsContact C-N 3.28Å; N144-G146 PolarHBondContact O-N 2.84Å; G146-L149 PolarHBondContact O-N 2.9Å; G146-L150 WeakPolarHBondContact O-CB 3.45Å; G146-L150 PolarHBondContact O-N 3.45Å
147T95.8Very high95.2Very high64 Ų6454 Ų5439%0.39328%0.276SS..Hα-helixtrans-64.7-40.6176.259.40000112.7L143 N144 L150 F151L143-T147 WeakPolarHBondContact O-CG2 3.48Å; L143-T147 PolarHBondContact O-N 3.4Å; N144-T147 WeakPolarHBondContact CA-OG1 3.4Å; N144-T147 PolarHBondContact O-N 3.32Å; N144-T147 PolarHBondContact O-OG1 3.13Å; N144-T147 PolarHBondContact OD1-OG1 3.04Å; T147-L150 PolarHBondContact O-N 3.06Å; T147-F151 VanDerWaalsContact O-CD2 3.28Å; T147-F151 WeakPolarHBondContact O-CD2 3.34Å; T147-F151 PolarHBondContact O-N 3.14Å
148Y95.9Very high95.3Very high71 Ų7158.2 Ų58.228%0.27830%0.297SS..Hα-helixtrans-59.9-49.3173.9-84-78000111.3N144 A145 L150 Y152 K218N144-Y148 VanDerWaalsContact O-CD2 3.24Å; N144-Y148 WeakPolarHBondContact O-CD2 3.5Å; N144-Y148 PolarHBondContact O-N 3.38Å; N144-Y148 WeakPolarHBondContact OD1-CD2 3.37Å; N144-Y148 WeakPolarHBondContact OD1-CE2 3.39Å; A145-Y148 PolarHBondContact O-N 2.89Å; Y148-L150 VanDerWaalsContact C-N 3.35Å; Y148-L150 PolarHBondContact O-N 3.18Å; Y148-Y152 HydrophobicContact CD1-CD2 4.21Å; Y148-Y152 AromaticContact CD1-CE2 3.63Å; Y148-Y152 HydrophobicContact CD1-CE2 3.63Å; Y148-Y152 HydrophobicContact CE1-CE2 4.22Å; Y148-Y152 VanDerWaalsContact O-CB 3.3Å; Y148-Y152 WeakPolarHBondContact O-CB 3.45Å; Y148-Y152 WeakPolarHBondContact O-CD2 3.3Å; Y148-Y152 PolarHBondContact O-N 2.88Å; Y148-Y152 VanDerWaalsContact O-N 3.07Å; Y148-K218 HydrophobicContact CD2-CD 3.8Å; Y148-K218 HydrophobicContact CE2-CD 4.01Å; Y148-K218 HydrophobicContact CG-CD 4.32Å; Y148-K218 PolarHBondContact OH-NZ 3.27Å
149L95.3Very high95.6Very high4 Ų457.5 Ų57.52%0.02130%0.296CS..Hα-helixtrans-60.3-43.9179.6179.2140.4000111.8L126 I133 A145 G146 T153 W215 A219 L231L126-L149 HydrophobicContact CD2-CD2 3.8Å; I133-L149 HydrophobicContact CD1-CD1 3.85Å; A145-L149 WeakPolarHBondContact O-CB 3.27Å; A145-L149 PolarHBondContact O-N 2.91Å; G146-L149 PolarHBondContact O-N 2.9Å; L149-T153 WeakPolarHBondContact O-CB 3.39Å; L149-T153 VanDerWaalsContact O-CG2 3.27Å; L149-T153 WeakPolarHBondContact O-CG2 3.48Å; L149-T153 PolarHBondContact O-N 2.81Å; L149-T153 PolarHBondContact O-OG1 3.46Å; L149-W215 HydrophobicContact CB-CE3 4.35Å; L149-W215 HydrophobicContact CD1-CE3 3.93Å; L149-W215 HydrophobicContact CD1-CZ3 3.75Å; L149-W215 HydrophobicContact CG-CE3 4.26Å; L149-W215 HydrophobicContact CG-CZ3 4.41Å; L149-A219 HydrophobicContact CD1-CB 3.94Å; L149-L231 HydrophobicContact CD1-CD2 3.94Å
150L96.2Very high95.7Very high46 Ų4654.2 Ų54.224%0.24128%0.281CS..Hα-helixtrans-67.4-51.4-179.6179.4133.8000112.2L130 G146 T147 Y148 T153 L154L130-L150 HydrophobicContact CD1-CB 4.45Å; L130-L150 HydrophobicContact CD2-CD1 3.69Å; G146-L150 WeakPolarHBondContact O-CB 3.45Å; G146-L150 PolarHBondContact O-N 3.45Å; T147-L150 PolarHBondContact O-N 3.06Å; Y148-L150 VanDerWaalsContact C-N 3.35Å; Y148-L150 PolarHBondContact O-N 3.18Å; L150-T153 PolarHBondContact O-N 3.4Å; L150-T153 PolarHBondContact O-OG1 2.97Å; L150-L154 HydrophobicContact CD1-CD1 4.4Å; L150-L154 HydrophobicContact CD2-CD1 3.62Å; L150-L154 HydrophobicContact CG-CD1 3.73Å; L150-L154 HydrophobicContact CG-CG 4.44Å; L150-L154 WeakPolarHBondContact O-CB 3.3Å; L150-L154 WeakPolarHBondContact O-CG 3.16Å; L150-L154 PolarHBondContact O-N 3.49Å
151F97.1Very high96Very high121 Ų12152.1 Ų52.153%0.53126%0.264SS..Hα-helixtrans-74.1-35.7-173.5-75.8-63.9000113.4T147 T153 V155T147-F151 VanDerWaalsContact O-CD2 3.28Å; T147-F151 WeakPolarHBondContact O-CD2 3.34Å; T147-F151 PolarHBondContact O-N 3.14Å; F151-T153 VanDerWaalsContact C-N 3.27Å; F151-T153 PolarHBondContact O-N 3.2Å; F151-V155 VanDerWaalsContact O-CB 3.3Å; F151-V155 WeakPolarHBondContact O-CB 3.42Å; F151-V155 WeakPolarHBondContact O-CG2 3.48Å; F151-V155 PolarHBondContact O-N 3.33Å
152Y96.1Very high96.2Very high60 Ų6053.2 Ų53.224%0.23527%0.272CS..Hα-helixtrans-58.6-46.6174.2-88.3-116.4000110.2Y148 G156 V205 W215Y148-Y152 HydrophobicContact CD1-CD2 4.21Å; Y148-Y152 AromaticContact CD1-CE2 3.63Å; Y148-Y152 HydrophobicContact CD1-CE2 3.63Å; Y148-Y152 HydrophobicContact CE1-CE2 4.22Å; Y148-Y152 VanDerWaalsContact O-CB 3.3Å; Y148-Y152 WeakPolarHBondContact O-CB 3.45Å; Y148-Y152 WeakPolarHBondContact O-CD2 3.3Å; Y148-Y152 PolarHBondContact O-N 2.88Å; Y148-Y152 VanDerWaalsContact O-N 3.07Å; Y152-G156 PolarHBondContact O-N 3.39Å; Y152-V205 HydrophobicContact CD1-CG1 4.44Å; Y152-V205 WeakPolarHBondContact O-CG1 3.47Å; Y152-W215 HydrophobicContact CD1-CB 4.48Å; Y152-W215 AromaticContact CD1-CD1 3.62Å; Y152-W215 HydrophobicContact CD1-CG 4.39Å; Y152-W215 HydrophobicContact CG-CB 4.27Å; Y152-W215 AromaticContact CG-CD1 3.98Å; Y152-W215 HydrophobicContact CG-CG 4.4Å
153T95.5Very high96.2Very high2 Ų249.9 Ų49.91%0.01226%0.26CS..Hα-helixtrans-70.1-46.5-176.252.40000112.2L126 L149 L150 F151 V155 G156 S157 V205 K206L126-T153 WeakPolarHBondContact CD1-OG1 3.18Å; L126-T153 HydrophobicContact CD2-CG2 4.12Å; L149-T153 WeakPolarHBondContact O-CB 3.39Å; L149-T153 VanDerWaalsContact O-CG2 3.27Å; L149-T153 WeakPolarHBondContact O-CG2 3.48Å; L149-T153 PolarHBondContact O-N 2.81Å; L149-T153 PolarHBondContact O-OG1 3.46Å; L150-T153 PolarHBondContact O-N 3.4Å; L150-T153 PolarHBondContact O-OG1 2.97Å; F151-T153 VanDerWaalsContact C-N 3.27Å; F151-T153 PolarHBondContact O-N 3.2Å; T153-V155 PolarHBondContact O-N 3.34Å; T153-G156 PolarHBondContact O-N 3Å; T153-S157 VanDerWaalsContact O-CB 3.24Å; T153-S157 WeakPolarHBondContact O-CB 3.48Å; T153-S157 PolarHBondContact O-N 3.45Å; T153-S157 PolarHBondContact O-OG 3.48Å; T153-V205 HydrophobicContact CG2-CG1 4.23Å; T153-K206 HydrophobicContact CG2-CD 3.82Å
154L95.9Very high96.2Very high58 Ų5844.8 Ų44.830%0.30423%0.234SC..Hα-helixtrans-63.3-41.3178.2-72.3175.2000113.4L150 G156 S157 L158L150-L154 HydrophobicContact CD1-CD1 4.4Å; L150-L154 HydrophobicContact CD2-CD1 3.62Å; L150-L154 HydrophobicContact CG-CD1 3.73Å; L150-L154 HydrophobicContact CG-CG 4.44Å; L150-L154 WeakPolarHBondContact O-CB 3.3Å; L150-L154 WeakPolarHBondContact O-CG 3.16Å; L150-L154 PolarHBondContact O-N 3.49Å; L154-G156 VanDerWaalsContact C-N 3.29Å; L154-G156 PolarHBondContact O-N 3.4Å; L154-S157 WeakPolarHBondContact CA-OG 3.37Å; L154-S157 PolarHBondContact O-N 2.99Å; L154-S157 PolarHBondContact O-OG 3.47Å; L154-L158 WeakPolarHBondContact O-CG 3.26Å; L154-L158 PolarHBondContact O-N 2.94Å
155V96.5Very high96.2Very high105 Ų10544.8 Ų44.864%0.63623%0.233SC*.Hα-helixtrans-65.2-37.1178.2171.80000110.8F151 T153 P159F151-V155 VanDerWaalsContact O-CB 3.3Å; F151-V155 WeakPolarHBondContact O-CB 3.42Å; F151-V155 WeakPolarHBondContact O-CG2 3.48Å; F151-V155 PolarHBondContact O-N 3.33Å; T153-V155 PolarHBondContact O-N 3.34Å; V155-P159 WeakPolarHBondContact O-CD 3.4Å
156G94.5Very high96.1Very high6 Ų650.7 Ų50.76%0.06226%0.256CS..Hα-helixtrans-72.1-35.7174.800000113.5Y152 T153 L154 A202Y152-G156 PolarHBondContact O-N 3.39Å; T153-G156 PolarHBondContact O-N 3Å; L154-G156 VanDerWaalsContact C-N 3.29Å; L154-G156 PolarHBondContact O-N 3.4Å; G156-A202 WeakPolarHBondContact O-CA 3.23Å; G156-A202 WeakPolarHBondContact O-CB 3.16Å; G156-A202 PolarHBondContact O-N 2.74Å
157S95.6Very high96Very high0 Ų051 Ų510%026%0.258CS..Hα-helixtrans-90.7-27.1-169.170.30000115.2Y119 E123 T153 L154 L160 L161Y119-S157 VanDerWaalsContact CE2-O 3.28Å; Y119-S157 WeakPolarHBondContact CE2-O 3.42Å; E123-S157 WeakPolarHBondContact OE1-CB 3.37Å; E123-S157 PolarHBondContact OE1-OG 2.99Å; T153-S157 VanDerWaalsContact O-CB 3.24Å; T153-S157 WeakPolarHBondContact O-CB 3.48Å; T153-S157 PolarHBondContact O-N 3.45Å; T153-S157 PolarHBondContact O-OG 3.48Å; L154-S157 WeakPolarHBondContact CA-OG 3.37Å; L154-S157 PolarHBondContact O-N 2.99Å; L154-S157 PolarHBondContact O-OG 3.47Å; S157-L160 WeakPolarHBondContact O-CA 3.26Å; S157-L160 VanDerWaalsContact O-CB 3.28Å; S157-L160 WeakPolarHBondContact O-CB 3.32Å; S157-L160 PolarHBondContact O-N 2.69Å; S157-L160 VanDerWaalsContact O-N 3.07Å; S157-L161 PolarHBondContact O-N 3.32Å
158L96.1Very high95.9Very high93 Ų9352.1 Ų52.149%0.48726%0.258SS..Hα-helixtrans-60.6-41.8174.5-72.3170.4000113.4L154 L160 L161 I162L154-L158 WeakPolarHBondContact O-CG 3.26Å; L154-L158 PolarHBondContact O-N 2.94Å; L158-L160 VanDerWaalsContact C-N 3.29Å; L158-L160 PolarHBondContact O-N 2.8Å; L158-L161 WeakPolarHBondContact O-CB 3.4Å; L158-L161 PolarHBondContact O-N 2.99Å; L158-I162 PolarHBondContact O-N 2.66Å
159P97.1Very high95.8Very high49 Ų4954.6 Ų54.632%0.31828%0.276SS..Hα-helixtrans-58.1-39.6170-26.335.3000113.1V155 L161 I162 A163 A198V155-P159 WeakPolarHBondContact O-CD 3.4Å; P159-L161 VanDerWaalsContact C-N 3.32Å; P159-L161 PolarHBondContact O-N 3.46Å; P159-I162 PolarHBondContact O-N 3.41Å; P159-A163 WeakPolarHBondContact O-CB 3.24Å; P159-A163 PolarHBondContact O-N 2.93Å; P159-A198 HydrophobicContact CB-CB 3.99Å
160L96.7Very high95.6Very high1 Ų157.6 Ų57.61%0.00530%0.295CS..Hα-helixtrans-60.7-40.7175.9169.569.1000111.3Y119 S157 L158 A163 L164 A198 Y199 A202 F203 L246Y119-L160 HydrophobicContact CD2-CD2 3.86Å; Y119-L160 HydrophobicContact CD2-CG 4.16Å; Y119-L160 HydrophobicContact CE2-CD2 4.36Å; S157-L160 WeakPolarHBondContact O-CA 3.26Å; S157-L160 VanDerWaalsContact O-CB 3.28Å; S157-L160 WeakPolarHBondContact O-CB 3.32Å; S157-L160 PolarHBondContact O-N 2.69Å; S157-L160 VanDerWaalsContact O-N 3.07Å; L158-L160 VanDerWaalsContact C-N 3.29Å; L158-L160 PolarHBondContact O-N 2.8Å; L160-A163 PolarHBondContact O-N 3.46Å; L160-L164 HydrophobicContact CD1-CD1 4.09Å; L160-L164 HydrophobicContact CD1-CG 4.07Å; L160-L164 HydrophobicContact CG-CD1 4.04Å; L160-L164 HydrophobicContact CG-CG 4.42Å; L160-L164 WeakPolarHBondContact O-CB 3.04Å; L160-L164 VanDerWaalsContact O-CG 3.3Å; L160-L164 WeakPolarHBondContact O-CG 3.48Å; L160-L164 PolarHBondContact O-N 3.43Å; L160-A198 VanDerWaalsContact CA-O 3.29Å; L160-A198 WeakPolarHBondContact CA-O 3.4Å; L160-A198 WeakPolarHBondContact CB-O 3.32Å; L160-A198 PolarHBondContact N-O 2.96Å; L160-Y199 HydrophobicContact CD1-CD1 3.77Å; L160-A202 HydrophobicContact CB-CB 3.91Å; L160-A202 HydrophobicContact CD2-CB 3.67Å; L160-A202 HydrophobicContact CG-CB 4.39Å; L160-F203 HydrophobicContact CD1-CE2 3.96Å; L160-F203 HydrophobicContact CD1-CZ 4.25Å; L160-F203 HydrophobicContact CD2-CE1 4.22Å; L160-F203 HydrophobicContact CD2-CE2 3.78Å; L160-F203 HydrophobicContact CD2-CZ 3.45Å; L160-F203 VanDerWaalsContact CD2-CZ 3.45Å; L160-L246 HydrophobicContact CD1-CD1 4.02Å
161L97.6Very high95.4Very high46 Ų4657.2 Ų57.224%0.24129%0.293CS..Hα-helixtrans-60.1-46.9175.9177.960.1000112I116 Y119 S157 L158 P159 A163 L164 I165I116-L161 HydrophobicContact CD1-CD1 3.49Å; I116-L161 VanDerWaalsContact CD1-CD1 3.49Å; Y119-L161 HydrophobicContact CD1-CD1 3.84Å; Y119-L161 HydrophobicContact CE1-CB 3.98Å; Y119-L161 HydrophobicContact CE1-CD1 3.72Å; Y119-L161 HydrophobicContact CE1-CD2 4.03Å; Y119-L161 HydrophobicContact CE1-CG 4.12Å; Y119-L161 HydrophobicContact CE2-CB 3.99Å; S157-L161 PolarHBondContact O-N 3.32Å; L158-L161 WeakPolarHBondContact O-CB 3.4Å; L158-L161 PolarHBondContact O-N 2.99Å; P159-L161 VanDerWaalsContact C-N 3.32Å; P159-L161 PolarHBondContact O-N 3.46Å; L161-A163 VanDerWaalsContact C-N 3.31Å; L161-A163 PolarHBondContact O-N 3.09Å; L161-L164 PolarHBondContact O-N 3.21Å; L161-I165 HydrophobicContact CD1-CD1 3.88Å; L161-I165 HydrophobicContact CD1-CG1 4.24Å; L161-I165 HydrophobicContact CG-CD1 3.94Å; L161-I165 WeakPolarHBondContact O-CG1 3.45Å; L161-I165 PolarHBondContact O-N 3.26Å
162I97.2Very high95.1Very high123 Ų12354 Ų5463%0.63129%0.294SS*.Hα-helixtrans-61.1-45179.1-63.1167.3000109.9L158 P159 L164 I165 Y166L158-I162 PolarHBondContact O-N 2.66Å; P159-I162 PolarHBondContact O-N 3.41Å; I162-L164 PolarHBondContact O-N 3.29Å; I162-I165 PolarHBondContact O-N 3.38Å; I162-Y166 WeakPolarHBondContact O-CB 3.39Å; I162-Y166 PolarHBondContact O-N 2.96Å
163A95.9Very high94.8Very high3 Ų352.5 Ų52.53%0.02529%0.292CS..Hα-helixtrans-60.2-45.117700000111.9P159 L160 L161 Y166 T167 M195 A198 Y199P159-A163 WeakPolarHBondContact O-CB 3.24Å; P159-A163 PolarHBondContact O-N 2.93Å; L160-A163 PolarHBondContact O-N 3.46Å; L161-A163 VanDerWaalsContact C-N 3.31Å; L161-A163 PolarHBondContact O-N 3.09Å; A163-Y166 WeakPolarHBondContact O-CB 3.43Å; A163-Y166 PolarHBondContact O-N 2.95Å; A163-T167 PolarHBondContact O-N 3.37Å; A163-T167 PolarHBondContact O-OG1 2.73Å; A163-M195 HydrophobicContact CB-SD 3.43Å; A163-M195 WeakPolarHBondContact CB-SD 3.17Å; A163-A198 HydrophobicContact CB-CB 3.89Å; A163-Y199 HydrophobicContact CB-CD1 3.9Å; A163-Y199 HydrophobicContact CB-CD2 4.46Å; A163-Y199 HydrophobicContact CB-CE1 3.53Å; A163-Y199 HydrophobicContact CB-CE2 4.21Å; A163-Y199 HydrophobicContact CB-CG 4.31Å; A163-Y199 PolarHBondContact O-OH 3.46Å
164L96.1Very high94.7Very high3 Ų352.6 Ų52.62%0.01629%0.293CS..Hα-helixtrans-62.4-45.6177.9-73.4173.7000112.3L115 Y119 L160 L161 I162 Y166 T167 H168 L174 Y199 L246L115-L164 HydrophobicContact CB-CD2 3.66Å; L115-L164 HydrophobicContact CD1-CD2 3.96Å; L115-L164 HydrophobicContact CG-CD2 4.42Å; Y119-L164 HydrophobicContact CD2-CD1 4.46Å; Y119-L164 HydrophobicContact CG-CD1 4.34Å; L160-L164 HydrophobicContact CD1-CD1 4.09Å; L160-L164 HydrophobicContact CD1-CG 4.07Å; L160-L164 HydrophobicContact CG-CD1 4.04Å; L160-L164 HydrophobicContact CG-CG 4.42Å; L160-L164 WeakPolarHBondContact O-CB 3.04Å; L160-L164 VanDerWaalsContact O-CG 3.3Å; L160-L164 WeakPolarHBondContact O-CG 3.48Å; L160-L164 PolarHBondContact O-N 3.43Å; L161-L164 PolarHBondContact O-N 3.21Å; I162-L164 PolarHBondContact O-N 3.29Å; L164-Y166 VanDerWaalsContact C-N 3.3Å; L164-Y166 PolarHBondContact O-N 2.88Å; L164-T167 WeakPolarHBondContact CA-OG1 3.46Å; L164-T167 PolarHBondContact O-N 3.01Å; L164-T167 PolarHBondContact O-OG1 2.88Å; L164-H168 PolarHBondContact O-N 3.43Å; L164-L174 HydrophobicContact CB-CD1 4.32Å; L164-Y199 HydrophobicContact CD2-CE1 3.98Å; L164-Y199 HydrophobicContact CG-CE1 4.29Å; L164-L246 HydrophobicContact CD2-CD2 4.49Å
165I96.7Very high94.6Very high83 Ų8351 Ų5143%0.42629%0.285SS..Hα-helixtrans-62-40.9176.6-66.2166.8000110.6L161 I162 H168 N169L161-I165 HydrophobicContact CD1-CD1 3.88Å; L161-I165 HydrophobicContact CD1-CG1 4.24Å; L161-I165 HydrophobicContact CG-CD1 3.94Å; L161-I165 WeakPolarHBondContact O-CG1 3.45Å; L161-I165 PolarHBondContact O-N 3.26Å; I162-I165 PolarHBondContact O-N 3.38Å; I165-H168 WeakPolarHBondContact O-CB 3.23Å; I165-H168 PolarHBondContact O-N 2.8Å; I165-N169 PolarHBondContact O-N 3.16Å; I165-N169 VanDerWaalsContact O-N 3.07Å
166Y95.2Very high94.2Very high124 Ų12446.4 Ų46.449%0.48626%0.256SS..Hα-helixtrans-58.5-50.1174.6175.7-93.9000111.5I162 A163 L164 H168 N169 T170 M195I162-Y166 WeakPolarHBondContact O-CB 3.39Å; I162-Y166 PolarHBondContact O-N 2.96Å; A163-Y166 WeakPolarHBondContact O-CB 3.43Å; A163-Y166 PolarHBondContact O-N 2.95Å; L164-Y166 VanDerWaalsContact C-N 3.3Å; L164-Y166 PolarHBondContact O-N 2.88Å; Y166-H168 VanDerWaalsContact C-N 3.25Å; Y166-H168 PolarHBondContact O-N 3.01Å; Y166-N169 PolarHBondContact O-N 3.41Å; Y166-N169 VanDerWaalsContact O-N 3.09Å; Y166-T170 HydrophobicContact CD1-CG2 4.23Å; Y166-T170 HydrophobicContact CE1-CG2 3.76Å; Y166-T170 HydrophobicContact CE2-CG2 4.09Å; Y166-T170 PolarHBondContact O-N 3.15Å; Y166-T170 PolarHBondContact O-OG1 3.49Å; Y166-M195 HydrophobicContact CD1-CE 3.14Å; Y166-M195 HydrophobicContact CD1-SD 4.34Å; Y166-M195 HydrophobicContact CD2-CE 4.42Å; Y166-M195 HydrophobicContact CE1-CE 3.58Å; Y166-M195 HydrophobicContact CG-CE 3.62Å
167T92.2Very high93.9Very high10 Ų1048.3 Ų48.36%0.06127%0.265CS..Hα-helixtrans-61.7-32.8176.330.70000113.8A163 L164 N169 T170 L171 L174 Y199 I249A163-T167 PolarHBondContact O-N 3.37Å; A163-T167 PolarHBondContact O-OG1 2.73Å; L164-T167 WeakPolarHBondContact CA-OG1 3.46Å; L164-T167 PolarHBondContact O-N 3.01Å; L164-T167 PolarHBondContact O-OG1 2.88Å; T167-N169 VanDerWaalsContact C-N 3.31Å; T167-T170 WeakPolarHBondContact CA-OG1 2.91Å; T167-T170 PolarHBondContact O-N 2.87Å; T167-T170 PolarHBondContact O-OG1 2.63Å; T167-L171 HydrophobicContact CG2-CD1 4.36Å; T167-L171 WeakPolarHBondContact O-CB 3.38Å; T167-L171 PolarHBondContact O-N 3.15Å; T167-L174 WeakPolarHBondContact OG1-CD2 3.22Å; T167-Y199 WeakPolarHBondContact CB-OH 3.11Å; T167-Y199 WeakPolarHBondContact CG2-OH 3.25Å; T167-Y199 PolarHBondContact OG1-OH 3.01Å; T167-I249 HydrophobicContact CG2-CG2 4.43Å
168H94.1Very high93.6Very high86 Ų8652 Ų5240%0.39828%0.284SS..Hα-helixtrans-62.8-43.1175.2-173.352.5000111L164 I165 Y166 T170 G172 L174L164-H168 PolarHBondContact O-N 3.43Å; I165-H168 WeakPolarHBondContact O-CB 3.23Å; I165-H168 PolarHBondContact O-N 2.8Å; Y166-H168 VanDerWaalsContact C-N 3.25Å; Y166-H168 PolarHBondContact O-N 3.01Å; H168-T170 VanDerWaalsContact C-N 3.34Å; H168-T170 PolarHBondContact O-N 3.05Å; H168-G172 PolarHBondContact CE1-O 3.47Å; H168-G172 VanDerWaalsContact CE1-O 3.24Å; H168-G172 CarbonylContact O-C 3.49Å; H168-G172 WeakPolarHBondContact O-CA 3.43Å; H168-G172 PolarHBondContact O-N 3.39Å; H168-L174 HydrophobicContact CB-CD1 3.84Å; H168-L174 HydrophobicContact CB-CD2 4.28Å; H168-L174 HydrophobicContact CB-CG 3.79Å
169N95Very high93.2Very high123 Ų12347.8 Ų47.866%0.65826%0.262SS*.Hα-helixtrans-69-31.5179-66-14.7000112.6I165 Y166 T167I165-N169 PolarHBondContact O-N 3.16Å; I165-N169 VanDerWaalsContact O-N 3.07Å; Y166-N169 PolarHBondContact O-N 3.41Å; Y166-N169 VanDerWaalsContact O-N 3.09Å; T167-N169 VanDerWaalsContact C-N 3.31Å
170T91.3Very high92.6Very high68 Ų6848.8 Ų48.842%0.41727%0.267SS..Hα-helixtrans-83.9-43.5-179.6590000113.5Y166 T167 H168Y166-T170 HydrophobicContact CD1-CG2 4.23Å; Y166-T170 HydrophobicContact CE1-CG2 3.76Å; Y166-T170 HydrophobicContact CE2-CG2 4.09Å; Y166-T170 PolarHBondContact O-N 3.15Å; Y166-T170 PolarHBondContact O-OG1 3.49Å; T167-T170 WeakPolarHBondContact CA-OG1 2.91Å; T167-T170 PolarHBondContact O-N 2.87Å; T167-T170 PolarHBondContact O-OG1 2.63Å; H168-T170 VanDerWaalsContact C-N 3.34Å; H168-T170 PolarHBondContact O-N 3.05Å
171L90.3Very high92.1Very high37 Ų3755.6 Ų55.619%0.19430%0.303CS..Hα-helixtrans-95-10.6-176.3-62.1172.8000112.9T167 S173 L179 Q184T167-L171 HydrophobicContact CG2-CD1 4.36Å; T167-L171 WeakPolarHBondContact O-CB 3.38Å; T167-L171 PolarHBondContact O-N 3.15Å; L171-S173 PolarHBondContact O-N 2.88Å; L171-S173 VanDerWaalsContact O-N 3.09Å; L171-L179 HydrophobicContact CD1-CD2 3.52Å; L171-Q184 HydrophobicContact CD2-CG 4.07Å
172G90.7Very high91.5Very high54 Ų5456.4 Ų56.456%0.55731%0.31SS*.SBendtrans76-19.7-177.700000114.9H168H168-G172 PolarHBondContact CE1-O 3.47Å; H168-G172 VanDerWaalsContact CE1-O 3.24Å; H168-G172 CarbonylContact O-C 3.49Å; H168-G172 WeakPolarHBondContact O-CA 3.43Å; H168-G172 PolarHBondContact O-N 3.39Å
173S91.6Very high90.7Very high29 Ų2952.5 Ų52.520%0.20330%0.296CS..  trans-145.4151.6178.971.40000112.3L171L171-S173 PolarHBondContact O-N 2.88Å; L171-S173 VanDerWaalsContact O-N 3.09Å
174L93Very high90.1Very high4 Ų458.8 Ų58.82%0.02133%0.325CS..  trans-115.914.5176.3-70.3179.6000112.8E114 L115 I116 L164 T167 H168 I176E114-L174 WeakPolarHBondContact CA-O 3.31Å; L115-L174 HydrophobicContact CB-CB 4.26Å; L115-L174 PolarHBondContact N-O 2.75Å; I116-L174 HydrophobicContact CB-CD1 3.95Å; I116-L174 HydrophobicContact CG2-CD1 4.47Å; L164-L174 HydrophobicContact CB-CD1 4.32Å; T167-L174 WeakPolarHBondContact OG1-CD2 3.22Å; H168-L174 HydrophobicContact CB-CD1 3.84Å; H168-L174 HydrophobicContact CB-CD2 4.28Å; H168-L174 HydrophobicContact CB-CG 3.79Å; L174-I176 PolarHBondContact O-N 2.98Å
175N92.8Very high89.6Confident25 Ų2566.7 Ų66.713%0.13436%0.362CS..BIsolated β-bridgetrans-70123.6176.8-177.3-1.2000108.9E114 L177 L178 L179E114-N175 HydrophobicContact CG-CB 4.4Å; N175-L177 PolarHBondContact O-N 3.35Å; N175-L177 VanDerWaalsContact O-N 3.15Å; N175-L177 PolarHBondContact OD1-N 3.35Å; N175-L178 HydrophobicContact CB-CB 4.27Å; N175-L178 HydrophobicContact CB-CD1 4.04Å; N175-L178 HydrophobicContact CB-CG 4.4Å; N175-L178 PolarHBondContact O-N 3.01Å; N175-L179 WeakPolarHBondContact O-CG 3.31Å; N175-L179 PolarHBondContact O-N 3.46Å
176I89.4Confident89.1Confident7 Ų764.1 Ų64.14%0.03635%0.349CS..Hα-helixtrans-52.9-37.9-179.9-66.9161.1000111T113 L115 L174 L178 L179 T180 R245T113-I176 WeakPolarHBondContact O-CB 3.33Å; T113-I176 WeakPolarHBondContact O-CD1 3.41Å; T113-I176 WeakPolarHBondContact O-CG1 3.13Å; T113-I176 PolarHBondContact O-N 3.1Å; L115-I176 HydrophobicContact CD2-CD1 4.07Å; L115-I176 HydrophobicContact CD2-CG1 3.82Å; L115-I176 HydrophobicContact CG-CG1 4.1Å; L174-I176 PolarHBondContact O-N 2.98Å; I176-L178 PolarHBondContact O-N 3.26Å; I176-L179 PolarHBondContact O-N 2.9Å; I176-T180 PolarHBondContact O-N 2.75Å; I176-R245 HydrophobicContact CD1-CG 4.34Å
177L86.9Confident88.8Confident47 Ų4761.9 Ų61.925%0.24635%0.351CS..Hα-helixtrans-68.1-31.9178.9-61.5178.5000113.8L49 N175 T180L49-L177 HydrophobicContact CB-CD2 3.86Å; L49-L177 HydrophobicContact CD1-CD2 3.18Å; L49-L177 HydrophobicContact CG-CD2 4.06Å; N175-L177 PolarHBondContact O-N 3.35Å; N175-L177 VanDerWaalsContact O-N 3.15Å; N175-L177 PolarHBondContact OD1-N 3.35Å; L177-T180 PolarHBondContact O-OG1 3.42Å
178L88.9Confident88.8Confident77 Ų7767.1 Ų67.140%0.40338%0.379SS..Hα-helixtrans-80.6-37.6176.2-78.6163.9000110.2N175 I176 T180 L181 T182N175-L178 HydrophobicContact CB-CB 4.27Å; N175-L178 HydrophobicContact CB-CD1 4.04Å; N175-L178 HydrophobicContact CB-CG 4.4Å; N175-L178 PolarHBondContact O-N 3.01Å; I176-L178 PolarHBondContact O-N 3.26Å; L178-T180 PolarHBondContact O-N 3.44Å; L178-L181 WeakPolarHBondContact O-CB 3.43Å; L178-L181 PolarHBondContact O-N 3.47Å; L178-T182 PolarHBondContact O-N 3.17Å; L178-T182 PolarHBondContact O-OG1 3.33Å
179L88.5Confident88.8Confident4 Ų465.1 Ų65.12%0.02137%0.374CS..Hα-helixtrans-60.6-30.9178.5-73.1165.7000112.9L115 L171 N175 I176 L181 A183 I249L115-L179 HydrophobicContact CD1-CD1 3.5Å; L115-L179 VanDerWaalsContact CD1-CD1 3.5Å; L115-L179 HydrophobicContact CG-CD1 4.23Å; L171-L179 HydrophobicContact CD1-CD2 3.52Å; N175-L179 WeakPolarHBondContact O-CG 3.31Å; N175-L179 PolarHBondContact O-N 3.46Å; I176-L179 PolarHBondContact O-N 2.9Å; L179-L181 PolarHBondContact O-N 3.13Å; L179-A183 WeakPolarHBondContact O-CA 3.42Å; L179-A183 WeakPolarHBondContact O-CB 3.38Å; L179-A183 PolarHBondContact O-N 3.49Å; L179-I249 HydrophobicContact CD1-CD1 4.05Å; L179-I249 HydrophobicContact CD2-CD1 4.29Å; L179-I249 HydrophobicContact CD2-CG1 4.43Å
180T85.4Confident88.8Confident70 Ų7069.5 Ų69.543%0.42938%0.382SS..Hα-helixtrans-63.1-24.3173.553.50000113.1I176 L177 L178 L248I176-T180 PolarHBondContact O-N 2.75Å; L177-T180 PolarHBondContact O-OG1 3.42Å; L178-T180 PolarHBondContact O-N 3.44Å; T180-L248 HydrophobicContact CG2-CD1 3.75Å
181L85.3Confident88.9Confident145 Ų14569.6 Ų69.676%0.75939%0.389SS*.Hα-helixtrans-98.5-33.1179.9-59.9174.7000112.6L178 L179L178-L181 WeakPolarHBondContact O-CB 3.43Å; L178-L181 PolarHBondContact O-N 3.47Å; L179-L181 PolarHBondContact O-N 3.13Å
182T84.9Confident89.1Confident62 Ų6269.1 Ų69.138%0.3839%0.387SS..Hα-helixtrans-106.31.7-172.562.30000114.1L178 Q184L178-T182 PolarHBondContact O-N 3.17Å; L178-T182 PolarHBondContact O-OG1 3.33Å; T182-Q184 PolarHBondContact O-N 2.71Å
183A80.8Confident89.3Confident42 Ų4267.7 Ų67.735%0.34737%0.366SS..PPolyproline II helixtrans-55.5122.4179.200000111L179L179-A183 WeakPolarHBondContact O-CA 3.42Å; L179-A183 WeakPolarHBondContact O-CB 3.38Å; L179-A183 PolarHBondContact O-N 3.49Å
184Q82.6Confident89.5Confident134 Ų13471.8 Ų71.863%0.62639%0.385SS*.PPolyproline II helixtrans-91.7140.4172.5-67178.3-8.600109.3L171 T182 L186L171-Q184 HydrophobicContact CD2-CG 4.07Å; T182-Q184 PolarHBondContact O-N 2.71Å; Q184-L186 PolarHBondContact O-N 3.2Å
185E85.8Confident89.5Confident169 Ų16973 Ų7379%0.7939%0.392SS*.PPolyproline II helixtrans-68.2127.7174.9-65.9-172.8172.700110.8S187E185-S187 PolarHBondContact O-N 3.24Å
186L86.4Confident89.7Confident30 Ų3071.9 Ų71.916%0.15739%0.386CS..PPolyproline II helixtrans-78.1119.7175.3-67.4174.3000110.6Q184 I249 L250 N251 L253Q184-L186 PolarHBondContact O-N 3.2Å; L186-I249 WeakPolarHBondContact CD1-O 3.24Å; L186-I249 WeakPolarHBondContact CG-O 3.14Å; L186-L250 HydrophobicContact CD1-CD2 4.47Å; L186-N251 PolarHBondContact N-O 2.97Å; L186-L253 HydrophobicContact CB-CB 4.19Å; L186-L253 HydrophobicContact CB-CD1 3.54Å; L186-L253 HydrophobicContact CB-CG 4.39Å
187S89.9Confident90Very high77 Ų7774.2 Ų74.254%0.53840%0.398SS..PPolyproline II helixtrans-77.1154.2175.763.70000112.6E185 S189 N192 L253E185-S187 PolarHBondContact O-N 3.24Å; S187-S189 PolarHBondContact O-N 3.49Å; S187-N192 PolarHBondContact N-ND2 3.37Å; S187-N192 VanDerWaalsContact O-CB 3.3Å; S187-N192 WeakPolarHBondContact O-CB 3.38Å; S187-N192 PolarHBondContact O-ND2 3.04Å; S187-N192 PolarHBondContact OG-ND2 2.71Å; S187-N192 VanDerWaalsContact OG-ND2 3.16Å; S187-L253 WeakPolarHBondContact O-CD1 3.33Å
188N91.3Very high90.4Very high120 Ų12072.8 Ų72.864%0.64239%0.393SS*.SBendtrans-72.895.7178.9-171.720000111.2
189S94.4Very high90.7Very high43 Ų4369.2 Ų69.230%0.30137%0.374SS..  trans-140.4155.5175.171.70000110.1S187 A191 N192 N193S187-S189 PolarHBondContact O-N 3.49Å; S189-A191 PolarHBondContact O-N 3.44Å; S189-N192 PolarHBondContact O-N 3.24Å; S189-N192 VanDerWaalsContact O-N 3.09Å; S189-N192 WeakPolarHBondContact OG-CB 3.01Å; S189-N192 VanDerWaalsContact OG-CG 3.24Å; S189-N192 PolarHBondContact OG-N 2.9Å; S189-N192 PolarHBondContact OG-ND2 2.87Å; S189-N193 VanDerWaalsContact O-CG 3.24Å; S189-N193 PolarHBondContact O-N 3.45Å; S189-N193 PolarHBondContact O-OD1 3.1Å
190W94.1Very high91Very high216 Ų21669.1 Ų69.182%0.81837%0.374SS*.Hα-helixtrans-57.7-37.1177.9-76.7105.1000113N193 L194W190-N193 PolarHBondContact O-N 3.28Å; W190-L194 WeakPolarHBondContact O-CG 3.21Å; W190-L194 PolarHBondContact O-N 3.46Å
191A94.5Very high91.5Very high69 Ų6968.4 Ų68.457%0.5737%0.366SS*.Hα-helixtrans-62.2-46.2175.200000111.4S189 N193 L194 M195S189-A191 PolarHBondContact O-N 3.44Å; A191-N193 VanDerWaalsContact C-N 3.34Å; A191-N193 PolarHBondContact O-N 2.86Å; A191-L194 PolarHBondContact O-N 3.45Å; A191-M195 WeakPolarHBondContact O-CB 3.5Å; A191-M195 PolarHBondContact O-N 2.87Å
192N93.8Very high92Very high27 Ų2761.6 Ų61.614%0.14433%0.331CS..Hα-helixtrans-70.9-30178.9-65.5-17.2000112.4S187 S189 M195 W196 L253S187-N192 PolarHBondContact N-ND2 3.37Å; S187-N192 VanDerWaalsContact O-CB 3.3Å; S187-N192 WeakPolarHBondContact O-CB 3.38Å; S187-N192 PolarHBondContact O-ND2 3.04Å; S187-N192 PolarHBondContact OG-ND2 2.71Å; S187-N192 VanDerWaalsContact OG-ND2 3.16Å; S189-N192 PolarHBondContact O-N 3.24Å; S189-N192 VanDerWaalsContact O-N 3.09Å; S189-N192 WeakPolarHBondContact OG-CB 3.01Å; S189-N192 VanDerWaalsContact OG-CG 3.24Å; S189-N192 PolarHBondContact OG-N 2.9Å; S189-N192 PolarHBondContact OG-ND2 2.87Å; N192-M195 PolarHBondContact O-N 3.45Å; N192-W196 WeakPolarHBondContact O-CB 3.43Å; N192-W196 PolarHBondContact O-N 3.08Å; N192-L253 HydrophobicContact CB-CD1 3.42Å; N192-L253 VanDerWaalsContact CB-CD1 3.42Å
193N94.9Very high92.5Very high24 Ų2458.7 Ų58.713%0.12831%0.313CS..Hα-helixtrans-65.3-43.7172.7-67.8-12.4000111.4S189 W190 A191 W196 L197 L253 M257S189-N193 VanDerWaalsContact O-CG 3.24Å; S189-N193 PolarHBondContact O-N 3.45Å; S189-N193 PolarHBondContact O-OD1 3.1Å; W190-N193 PolarHBondContact O-N 3.28Å; A191-N193 VanDerWaalsContact C-N 3.34Å; A191-N193 PolarHBondContact O-N 2.86Å; N193-W196 PolarHBondContact O-N 3.41Å; N193-L197 WeakPolarHBondContact O-CG 2.99Å; N193-L197 PolarHBondContact O-N 2.92Å; N193-L197 VanDerWaalsContact O-N 3.08Å; N193-L253 WeakPolarHBondContact OD1-CD2 3.49Å; N193-M257 HydrophobicContact CB-CE 3.96Å; N193-M257 HydrophobicContact CB-SD 4.09Å
194L95.2Very high93.2Very high115 Ų11556.7 Ų56.760%0.60230%0.296SS*.Hα-helixtrans-66-39.2173.7-73.2171.6000111.8W190 A191 L197 A198W190-L194 WeakPolarHBondContact O-CG 3.21Å; W190-L194 PolarHBondContact O-N 3.46Å; A191-L194 PolarHBondContact O-N 3.45Å; L194-L197 PolarHBondContact O-N 3.4Å; L194-A198 WeakPolarHBondContact O-CB 3.16Å; L194-A198 PolarHBondContact O-N 3.41Å
195M94.2Very high93.9Very high31 Ų3150.6 Ų50.615%0.15327%0.268CS..Hα-helixtrans-62-43.8174.8-171.865.274.400111.5A163 Y166 A191 N192 L197 A198 Y199A163-M195 HydrophobicContact CB-SD 3.43Å; A163-M195 WeakPolarHBondContact CB-SD 3.17Å; Y166-M195 HydrophobicContact CD1-CE 3.14Å; Y166-M195 HydrophobicContact CD1-SD 4.34Å; Y166-M195 HydrophobicContact CD2-CE 4.42Å; Y166-M195 HydrophobicContact CE1-CE 3.58Å; Y166-M195 HydrophobicContact CG-CE 3.62Å; A191-M195 WeakPolarHBondContact O-CB 3.5Å; A191-M195 PolarHBondContact O-N 2.87Å; N192-M195 PolarHBondContact O-N 3.45Å; M195-L197 VanDerWaalsContact C-N 3.32Å; M195-L197 PolarHBondContact O-N 3.34Å; M195-A198 WeakPolarHBondContact O-CB 3.45Å; M195-A198 PolarHBondContact O-N 2.99Å; M195-A198 VanDerWaalsContact O-N 3.16Å; M195-Y199 HydrophobicContact CG-CD2 3.88Å; M195-Y199 HydrophobicContact CG-CE2 3.39Å; M195-Y199 WeakPolarHBondContact O-CD2 3.47Å; M195-Y199 PolarHBondContact O-N 3.48Å; M195-Y199 HydrophobicContact SD-CD2 4.37Å; M195-Y199 HydrophobicContact SD-CE2 3.71Å
196W95.7Very high94.3Very high1 Ų143 Ų430%0.00423%0.232CC..Hα-helixtrans-59.7-42.6175.5-174.798.2000111.7N192 N193 Y199 T200 L250 M257 F261 L302N192-W196 WeakPolarHBondContact O-CB 3.43Å; N192-W196 PolarHBondContact O-N 3.08Å; N193-W196 PolarHBondContact O-N 3.41Å; W196-Y199 PolarHBondContact O-N 3.44Å; W196-T200 HydrophobicContact CD2-CG2 4.09Å; W196-T200 HydrophobicContact CE3-CG2 4.28Å; W196-T200 HydrophobicContact CH2-CG2 4.09Å; W196-T200 HydrophobicContact CZ2-CG2 3.89Å; W196-T200 HydrophobicContact CZ3-CG2 4.26Å; W196-T200 WeakPolarHBondContact CZ3-OG1 3.35Å; W196-T200 WeakPolarHBondContact O-CB 3.36Å; W196-T200 WeakPolarHBondContact O-CG2 3.29Å; W196-T200 PolarHBondContact O-N 3.33Å; W196-T200 PolarHBondContact O-OG1 3.29Å; W196-L250 HydrophobicContact CB-CD2 4.33Å; W196-L250 HydrophobicContact CG-CD2 4.07Å; W196-M257 HydrophobicContact CD2-CB 3.56Å; W196-M257 HydrophobicContact CD2-CG 4.12Å; W196-M257 HydrophobicContact CE3-CB 3.69Å; W196-M257 HydrophobicContact CE3-CE 4.03Å; W196-M257 HydrophobicContact CE3-CG 4.3Å; W196-M257 HydrophobicContact CG-CB 4.14Å; W196-M257 HydrophobicContact CG-CG 4.25Å; W196-M257 HydrophobicContact CH2-CB 4.02Å; W196-M257 HydrophobicContact CZ2-CB 3.88Å; W196-M257 HydrophobicContact CZ3-CB 3.94Å; W196-F261 AromaticContact CH2-CD2 3.65Å; W196-F261 HydrophobicContact CH2-CD2 3.65Å; W196-F261 AromaticContact CH2-CE2 3.79Å; W196-F261 HydrophobicContact CH2-CE2 3.79Å; W196-F261 AromaticContact CZ3-CD2 3.8Å; W196-F261 HydrophobicContact CZ3-CD2 3.8Å; W196-F261 AromaticContact CZ3-CE2 3.4Å; W196-F261 HydrophobicContact CZ3-CE2 3.4Å; W196-F261 VanDerWaalsContact CZ3-CE2 3.4Å; W196-F261 HydrophobicContact CZ3-CZ 4.17Å; W196-L302 HydrophobicContact CZ2-CD2 4.34Å
197L95.8Very high94.5Very high55 Ų5541.6 Ų41.629%0.28823%0.225SC..Hα-helixtrans-63.5-44.7173.6-73.1167.6000111.3N193 L194 M195 Y199 T200 M201 M257 F261N193-L197 WeakPolarHBondContact O-CG 2.99Å; N193-L197 PolarHBondContact O-N 2.92Å; N193-L197 VanDerWaalsContact O-N 3.08Å; L194-L197 PolarHBondContact O-N 3.4Å; M195-L197 VanDerWaalsContact C-N 3.32Å; M195-L197 PolarHBondContact O-N 3.34Å; L197-Y199 VanDerWaalsContact C-N 3.29Å; L197-Y199 PolarHBondContact O-N 3.03Å; L197-T200 PolarHBondContact O-N 3.16Å; L197-T200 PolarHBondContact O-OG1 2.83Å; L197-M201 HydrophobicContact CB-CG 4.44Å; L197-M201 HydrophobicContact CD2-CG 4.46Å; L197-M201 VanDerWaalsContact O-CB 3.28Å; L197-M201 WeakPolarHBondContact O-CB 3.33Å; L197-M201 WeakPolarHBondContact O-CG 3.23Å; L197-M201 PolarHBondContact O-N 3.31Å; L197-M257 HydrophobicContact CD1-CE 4.37Å; L197-M257 HydrophobicContact CG-CE 4.14Å; L197-F261 HydrophobicContact CD2-CE2 4.01Å; L197-F261 HydrophobicContact CD2-CZ 3.7Å
198A96.2Very high94.3Very high18 Ų1838 Ų3815%0.14920%0.2CC..Hα-helixtrans-59.5-39.8178.700000112.2P159 L160 A163 L194 M195P159-A198 HydrophobicContact CB-CB 3.99Å; L160-A198 VanDerWaalsContact CA-O 3.29Å; L160-A198 WeakPolarHBondContact CA-O 3.4Å; L160-A198 WeakPolarHBondContact CB-O 3.32Å; L160-A198 PolarHBondContact N-O 2.96Å; A163-A198 HydrophobicContact CB-CB 3.89Å; L194-A198 WeakPolarHBondContact O-CB 3.16Å; L194-A198 PolarHBondContact O-N 3.41Å; M195-A198 WeakPolarHBondContact O-CB 3.45Å; M195-A198 PolarHBondContact O-N 2.99Å; M195-A198 VanDerWaalsContact O-N 3.16Å
199Y94.9Very high94.4Very high2 Ų232.7 Ų32.71%0.00817%0.171CC..Hα-helixtrans-68-42.5174.1-76.4-56000113.5L160 A163 L164 T167 M195 W196 L197 F203 L246 I249 L250L160-Y199 HydrophobicContact CD1-CD1 3.77Å; A163-Y199 HydrophobicContact CB-CD1 3.9Å; A163-Y199 HydrophobicContact CB-CD2 4.46Å; A163-Y199 HydrophobicContact CB-CE1 3.53Å; A163-Y199 HydrophobicContact CB-CE2 4.21Å; A163-Y199 HydrophobicContact CB-CG 4.31Å; A163-Y199 PolarHBondContact O-OH 3.46Å; L164-Y199 HydrophobicContact CD2-CE1 3.98Å; L164-Y199 HydrophobicContact CG-CE1 4.29Å; T167-Y199 WeakPolarHBondContact CB-OH 3.11Å; T167-Y199 WeakPolarHBondContact CG2-OH 3.25Å; T167-Y199 PolarHBondContact OG1-OH 3.01Å; M195-Y199 HydrophobicContact CG-CD2 3.88Å; M195-Y199 HydrophobicContact CG-CE2 3.39Å; M195-Y199 WeakPolarHBondContact O-CD2 3.47Å; M195-Y199 PolarHBondContact O-N 3.48Å; M195-Y199 HydrophobicContact SD-CD2 4.37Å; M195-Y199 HydrophobicContact SD-CE2 3.71Å; W196-Y199 PolarHBondContact O-N 3.44Å; L197-Y199 VanDerWaalsContact C-N 3.29Å; L197-Y199 PolarHBondContact O-N 3.03Å; Y199-F203 WeakPolarHBondContact O-CD2 3.46Å; Y199-F203 WeakPolarHBondContact O-CE2 3.44Å; Y199-L246 HydrophobicContact CD1-CD1 4.02Å; Y199-L246 HydrophobicContact CD1-CD2 4.26Å; Y199-L246 HydrophobicContact CG-CD1 4.45Å; Y199-I249 HydrophobicContact CE2-CG2 4.32Å; Y199-L250 HydrophobicContact CD2-CD2 3.53Å; Y199-L250 HydrophobicContact CE2-CD2 4.49Å; Y199-L250 HydrophobicContact CG-CD2 3.95Å
200T95.2Very high94.5Very high2 Ų233.5 Ų33.51%0.01217%0.168CC..Hα-helixtrans-87.7-32.8-168.753.50000113.7W196 L197 A202 F203 M204 L250W196-T200 HydrophobicContact CD2-CG2 4.09Å; W196-T200 HydrophobicContact CE3-CG2 4.28Å; W196-T200 HydrophobicContact CH2-CG2 4.09Å; W196-T200 HydrophobicContact CZ2-CG2 3.89Å; W196-T200 HydrophobicContact CZ3-CG2 4.26Å; W196-T200 WeakPolarHBondContact CZ3-OG1 3.35Å; W196-T200 WeakPolarHBondContact O-CB 3.36Å; W196-T200 WeakPolarHBondContact O-CG2 3.29Å; W196-T200 PolarHBondContact O-N 3.33Å; W196-T200 PolarHBondContact O-OG1 3.29Å; L197-T200 PolarHBondContact O-N 3.16Å; L197-T200 PolarHBondContact O-OG1 2.83Å; T200-A202 PolarHBondContact O-N 2.94Å; T200-F203 PolarHBondContact O-N 3.34Å; T200-M204 WeakPolarHBondContact O-CG 3.45Å; T200-M204 PolarHBondContact O-N 3.34Å; T200-L250 HydrophobicContact CG2-CD1 3.69Å
201M95.4Very high94.5Very high55 Ų5525.4 Ų25.427%0.27115%0.152SC..Hα-helixtrans-61.2-38.2-170.7-75.9-60.6-62.600113.7L197 F203 M204 V205 L212 F261L197-M201 HydrophobicContact CB-CG 4.44Å; L197-M201 HydrophobicContact CD2-CG 4.46Å; L197-M201 VanDerWaalsContact O-CB 3.28Å; L197-M201 WeakPolarHBondContact O-CB 3.33Å; L197-M201 WeakPolarHBondContact O-CG 3.23Å; L197-M201 PolarHBondContact O-N 3.31Å; M201-F203 VanDerWaalsContact C-N 3.27Å; M201-F203 PolarHBondContact O-N 3.09Å; M201-M204 PolarHBondContact O-N 3.07Å; M201-V205 WeakPolarHBondContact O-CG2 3.42Å; M201-V205 PolarHBondContact O-N 3.46Å; M201-L212 HydrophobicContact CE-CD1 3.74Å; M201-F261 HydrophobicContact SD-CE1 4.05Å; M201-F261 HydrophobicContact SD-CZ 4.19Å
202A95.8Very high94.6Very high2 Ų224.3 Ų24.32%0.01714%0.137CC..Hα-helixtrans-56-43.9175.500000112.1G156 L160 T200 V205 K206G156-A202 WeakPolarHBondContact O-CA 3.23Å; G156-A202 WeakPolarHBondContact O-CB 3.16Å; G156-A202 PolarHBondContact O-N 2.74Å; L160-A202 HydrophobicContact CB-CB 3.91Å; L160-A202 HydrophobicContact CD2-CB 3.67Å; L160-A202 HydrophobicContact CG-CB 4.39Å; T200-A202 PolarHBondContact O-N 2.94Å; A202-V205 PolarHBondContact O-N 2.97Å; A202-K206 PolarHBondContact O-N 2.87Å
203F96.4Very high94.7Very high1 Ų123.7 Ų23.70%0.00413%0.133CC..Hα-helixtrans-78.6-31.6-179.2-52.8-64.8000112.3F118 F122 L160 Y199 T200 M201 V205 K206 M207 G239 M243 L246F118-F203 AromaticContact CE1-CE1 3.66Å; F118-F203 HydrophobicContact CE1-CE1 3.66Å; F118-F203 AromaticContact CE1-CZ 3.74Å; F118-F203 HydrophobicContact CE1-CZ 3.74Å; F118-F203 AromaticContact CZ-CE1 3.83Å; F118-F203 HydrophobicContact CZ-CE1 3.83Å; F118-F203 HydrophobicContact CZ-CZ 4.36Å; F122-F203 HydrophobicContact CE2-CD1 4.21Å; F122-F203 HydrophobicContact CE2-CE1 4.12Å; F122-F203 HydrophobicContact CZ-CD1 4.28Å; F122-F203 HydrophobicContact CZ-CE1 4.21Å; L160-F203 HydrophobicContact CD1-CE2 3.96Å; L160-F203 HydrophobicContact CD1-CZ 4.25Å; L160-F203 HydrophobicContact CD2-CE1 4.22Å; L160-F203 HydrophobicContact CD2-CE2 3.78Å; L160-F203 HydrophobicContact CD2-CZ 3.45Å; L160-F203 VanDerWaalsContact CD2-CZ 3.45Å; Y199-F203 WeakPolarHBondContact O-CD2 3.46Å; Y199-F203 WeakPolarHBondContact O-CE2 3.44Å; T200-F203 PolarHBondContact O-N 3.34Å; M201-F203 VanDerWaalsContact C-N 3.27Å; M201-F203 PolarHBondContact O-N 3.09Å; F203-V205 PolarHBondContact O-N 3.09Å; F203-K206 PolarHBondContact O-N 3.47Å; F203-M207 WeakPolarHBondContact O-CB 3.18Å; F203-M207 PolarHBondContact O-N 2.84Å; F203-G239 WeakPolarHBondContact CB-O 3.34Å; F203-M243 HydrophobicContact CB-CG 3.44Å; F203-M243 VanDerWaalsContact CB-CG 3.44Å; F203-M243 HydrophobicContact CB-SD 4.28Å; F203-M243 HydrophobicContact CD2-CG 4.19Å; F203-M243 HydrophobicContact CG-CG 4.01Å; F203-L246 HydrophobicContact CD2-CD1 4.08Å; F203-L246 HydrophobicContact CE2-CD1 3.2Å; F203-L246 HydrophobicContact CE2-CG 4.39Å; F203-L246 HydrophobicContact CZ-CD1 3.85Å
204M95.4Very high94.7Very high0 Ų026.5 Ų26.50%015%0.147CC..Hα-helixtrans-68.7-20.4171.8-66.5-61.4-171.200113.5T200 M201 M207 L209 M243 F261 V298 L302T200-M204 WeakPolarHBondContact O-CG 3.45Å; T200-M204 PolarHBondContact O-N 3.34Å; M201-M204 PolarHBondContact O-N 3.07Å; M204-M207 CarbonylContact C-O 3.26Å; M204-M207 VanDerWaalsContact C-O 3.23Å; M204-M207 CarbonylContact O-C 3.53Å; M204-L209 HydrophobicContact CB-CB 4.3Å; M204-L209 WeakPolarHBondContact O-CB 3.43Å; M204-L209 PolarHBondContact O-N 3.49Å; M204-L209 HydrophobicContact SD-CD1 4.2Å; M204-M243 HydrophobicContact CE-CE 3.35Å; M204-M243 HydrophobicContact CE-SD 3.82Å; M204-M243 HydrophobicContact SD-CE 4.29Å; M204-M243 HydrophobicContact SD-SD 3.95Å; M204-F261 HydrophobicContact CE-CB 4.15Å; M204-F261 HydrophobicContact CE-CD1 4.25Å; M204-F261 HydrophobicContact CE-CG 4.24Å; M204-F261 HydrophobicContact CG-CD1 4.49Å; M204-V298 HydrophobicContact CE-CG1 4.05Å; M204-V298 HydrophobicContact SD-CG1 3.85Å; M204-L302 HydrophobicContact CE-CD1 3.97Å; M204-L302 HydrophobicContact CE-CD2 3.93Å; M204-L302 HydrophobicContact CE-CG 4.22Å
205V96.8Very high94.8Very high6 Ų621.2 Ų21.24%0.03612%0.12CC..Hα-helixtrans-78.7-43.7168.7171.20000110.6Y152 T153 M201 A202 F203 L212 W215Y152-V205 HydrophobicContact CD1-CG1 4.44Å; Y152-V205 WeakPolarHBondContact O-CG1 3.47Å; T153-V205 HydrophobicContact CG2-CG1 4.23Å; M201-V205 WeakPolarHBondContact O-CG2 3.42Å; M201-V205 PolarHBondContact O-N 3.46Å; A202-V205 PolarHBondContact O-N 2.97Å; F203-V205 PolarHBondContact O-N 3.09Å; V205-L212 HydrophobicContact CG2-CD1 3.99Å; V205-W215 WeakPolarHBondContact O-CZ2 3.11Å; V205-W215 PolarHBondContact O-NE1 3.33Å
206K94.4Very high94.8Very high9 Ų919.8 Ų19.84%0.03911%0.112CC..Hα-helixtrans-71.5-44.8-179-72.3-76.9-170.11650113.5F122 T153 A202 F203 P208 L236F122-K206 HydrophobicContact CE2-CD 4.15Å; F122-K206 HydrophobicContact CE2-CG 3.72Å; F122-K206 HydrophobicContact CZ-CD 4.03Å; F122-K206 VanDerWaalsContact CZ-CE 3.43Å; F122-K206 HydrophobicContact CZ-CG 3.45Å; F122-K206 VanDerWaalsContact CZ-CG 3.45Å; T153-K206 HydrophobicContact CG2-CD 3.82Å; A202-K206 PolarHBondContact O-N 2.87Å; F203-K206 PolarHBondContact O-N 3.47Å; K206-P208 WeakPolarHBondContact O-CD 3.22Å; K206-L236 VanDerWaalsContact O-CD2 3.3Å; K206-L236 WeakPolarHBondContact O-CD2 3.4Å
207M90.2Very high94.7Very high0 Ų020.3 Ų20.30%012%0.116CC..THydrogen-bonded Turntrans-83.394.7159.7-81.1-166.5-5900105.9F203 M204 L209 L236 G240 M243 V297 V298 I301F203-M207 WeakPolarHBondContact O-CB 3.18Å; F203-M207 PolarHBondContact O-N 2.84Å; M204-M207 CarbonylContact C-O 3.26Å; M204-M207 VanDerWaalsContact C-O 3.23Å; M204-M207 CarbonylContact O-C 3.53Å; M207-L209 PolarHBondContact O-N 3.16Å; M207-L236 VanDerWaalsContact CG-O 3.26Å; M207-L236 WeakPolarHBondContact CG-O 3.41Å; M207-G240 VanDerWaalsContact CE-CA 3.44Å; M207-G240 WeakPolarHBondContact SD-CA 3.21Å; M207-G240 PolarHBondContact SD-N 2.93Å; M207-M243 HydrophobicContact CE-CB 4.38Å; M207-M243 HydrophobicContact CE-CG 3.9Å; M207-M243 HydrophobicContact CE-SD 3.24Å; M207-M243 WeakPolarHBondContact CE-SD 3.44Å; M207-V297 HydrophobicContact SD-CB 4.36Å; M207-V297 HydrophobicContact SD-CG1 3.86Å; M207-V298 HydrophobicContact CB-CG2 3.93Å; M207-V298 HydrophobicContact CE-CG2 3.88Å; M207-V298 HydrophobicContact SD-CG2 3.97Å; M207-I301 HydrophobicContact CE-CD1 3.94Å; M207-I301 HydrophobicContact SD-CD1 4.22Å
208P86.6Confident94.6Very high3 Ų321.5 Ų21.52%0.01912%0.119CC..THydrogen-bonded Turntrans-58.394.5-165.531.4-44.1000110.6K206 H213 L216 I291K206-P208 WeakPolarHBondContact O-CD 3.22Å; P208-H213 HydrophobicContact CB-CB 3.65Å; P208-L216 HydrophobicContact CB-CD1 4.06Å; P208-L216 HydrophobicContact CG-CD1 3.51Å; P208-I291 HydrophobicContact CB-CG1 4.3Å; P208-I291 HydrophobicContact CG-CB 4.41Å; P208-I291 HydrophobicContact CG-CG1 3.87Å; P208-I291 HydrophobicContact CG-CG2 4.3Å
209L93.1Very high94.5Very high7 Ų720.6 Ų20.64%0.03711%0.112CC..  trans-60.6145.3172.7-173.278.5000108M204 M207 G211 L212 H213 F261 L264 V298M204-L209 HydrophobicContact CB-CB 4.3Å; M204-L209 WeakPolarHBondContact O-CB 3.43Å; M204-L209 PolarHBondContact O-N 3.49Å; M204-L209 HydrophobicContact SD-CD1 4.2Å; M207-L209 PolarHBondContact O-N 3.16Å; L209-G211 PolarHBondContact O-N 3.23Å; L209-L212 HydrophobicContact CB-CB 4.5Å; L209-L212 HydrophobicContact CB-CD1 4.43Å; L209-L212 HydrophobicContact CD2-CD1 4.49Å; L209-L212 CarbonylContact O-C 3.21Å; L209-L212 WeakPolarHBondContact O-CA 3.36Å; L209-L212 PolarHBondContact O-N 3.28Å; L209-H213 PolarHBondContact O-N 3.1Å; L209-F261 HydrophobicContact CD1-CD1 4.47Å; L209-F261 HydrophobicContact CD2-CD1 3.54Å; L209-F261 HydrophobicContact CD2-CE1 3.99Å; L209-L264 HydrophobicContact CD1-CB 4.29Å; L209-L264 HydrophobicContact CD2-CB 4.41Å; L209-L264 HydrophobicContact CD2-CD1 3.93Å; L209-L264 HydrophobicContact CG-CB 4.38Å; L209-V298 HydrophobicContact CD1-CG1 4.13Å
210Y95.2Very high94.5Very high60 Ų6020.5 Ų20.524%0.23511%0.111CC..THydrogen-bonded Turntrans-54136.4169.5-170.1-103.5000110.5L212 H213 L264 G268 M271 T272Y210-L212 PolarHBondContact O-N 2.89Å; Y210-H213 AromaticContact CD2-CE1 3.55Å; Y210-H213 AromaticContact CD2-ND1 3.89Å; Y210-H213 AromaticContact CE2-CE1 3.7Å; Y210-L264 WeakPolarHBondContact CB-O 3.48Å; Y210-L264 HydrophobicContact CD1-CD2 4.46Å; Y210-G268 VanDerWaalsContact CG-CA 3.45Å; Y210-M271 HydrophobicContact CE2-CB 3.81Å; Y210-T272 HydrophobicContact CD2-CG2 3.92Å; Y210-T272 HydrophobicContact CE2-CG2 4.17Å
211G94.9Very high94.4Very high47 Ų4721 Ų2149%0.48511%0.114SC..THydrogen-bonded Turntrans89.5-41.6-164.100000115.2L209 H213L209-G211 PolarHBondContact O-N 3.23Å; G211-H213 PolarHBondContact N-ND1 2.87Å
212L95.9Very high94.4Very high46 Ų4619.1 Ų19.124%0.24111%0.105CC..THydrogen-bonded Turntrans-97.11.8179.4-60.3175.2000113.8M201 V205 L209 Y210 L214M201-L212 HydrophobicContact CE-CD1 3.74Å; V205-L212 HydrophobicContact CG2-CD1 3.99Å; L209-L212 HydrophobicContact CB-CB 4.5Å; L209-L212 HydrophobicContact CB-CD1 4.43Å; L209-L212 HydrophobicContact CD2-CD1 4.49Å; L209-L212 CarbonylContact O-C 3.21Å; L209-L212 WeakPolarHBondContact O-CA 3.36Å; L209-L212 PolarHBondContact O-N 3.28Å; Y210-L212 PolarHBondContact O-N 2.89Å; L212-L214 PolarHBondContact O-N 2.75Å
213H96.4Very high94.3Very high14 Ų1419.2 Ų19.27%0.06511%0.105CC..THydrogen-bonded Turntrans-81.6-6.3-172.365.5-82.6000115.8P208 L209 Y210 G211 W215 L216 P217 I291P208-H213 HydrophobicContact CB-CB 3.65Å; L209-H213 PolarHBondContact O-N 3.1Å; Y210-H213 AromaticContact CD2-CE1 3.55Å; Y210-H213 AromaticContact CD2-ND1 3.89Å; Y210-H213 AromaticContact CE2-CE1 3.7Å; G211-H213 PolarHBondContact N-ND1 2.87Å; H213-W215 PolarHBondContact O-N 2.71Å; H213-W215 VanDerWaalsContact O-N 3.09Å; H213-L216 WeakPolarHBondContact O-CB 3.15Å; H213-L216 PolarHBondContact O-N 2.98Å; H213-P217 WeakPolarHBondContact O-CD 3.1Å; H213-I291 HydrophobicContact CB-CD1 3.78Å; H213-I291 HydrophobicContact CB-CG1 4.15Å; H213-I291 HydrophobicContact CB-CG2 3.93Å
214L95.9Very high94.3Very high82 Ų8219.4 Ų19.443%0.42911%0.107SC..THydrogen-bonded Turntrans-61.2-25-169.6-67.8176.3000114.5L212 L216L212-L214 PolarHBondContact O-N 2.75Å; L214-L216 VanDerWaalsContact C-N 3.29Å
215W96.1Very high94.3Very high5 Ų519.7 Ų19.72%0.01911%0.108CC..Hα-helixtrans-68.7-30176.369.5-93.9000112.1L149 Y152 V205 H213 K218 A219 L236L149-W215 HydrophobicContact CB-CE3 4.35Å; L149-W215 HydrophobicContact CD1-CE3 3.93Å; L149-W215 HydrophobicContact CD1-CZ3 3.75Å; L149-W215 HydrophobicContact CG-CE3 4.26Å; L149-W215 HydrophobicContact CG-CZ3 4.41Å; Y152-W215 HydrophobicContact CD1-CB 4.48Å; Y152-W215 AromaticContact CD1-CD1 3.62Å; Y152-W215 HydrophobicContact CD1-CG 4.39Å; Y152-W215 HydrophobicContact CG-CB 4.27Å; Y152-W215 AromaticContact CG-CD1 3.98Å; Y152-W215 HydrophobicContact CG-CG 4.4Å; V205-W215 WeakPolarHBondContact O-CZ2 3.11Å; V205-W215 PolarHBondContact O-NE1 3.33Å; H213-W215 PolarHBondContact O-N 2.71Å; H213-W215 VanDerWaalsContact O-N 3.09Å; W215-K218 PolarHBondContact O-N 2.74Å; W215-A219 HydrophobicContact CE3-CB 3.91Å; W215-A219 HydrophobicContact CZ3-CB 4.19Å; W215-A219 VanDerWaalsContact O-CB 3.25Å; W215-A219 WeakPolarHBondContact O-CB 3.39Å; W215-A219 PolarHBondContact O-N 2.96Å; W215-L236 HydrophobicContact CH2-CD2 3.89Å; W215-L236 HydrophobicContact CZ2-CD2 4.24Å
216L93.9Very high94.2Very high0 Ų019.4 Ų19.40%011%0.106CC..Hα-helixtrans-71-51.1-169-170.8163.8000112.6P208 H213 L214 K218 A219 H220 L236 A287 I291P208-L216 HydrophobicContact CB-CD1 4.06Å; P208-L216 HydrophobicContact CG-CD1 3.51Å; H213-L216 WeakPolarHBondContact O-CB 3.15Å; H213-L216 PolarHBondContact O-N 2.98Å; L214-L216 VanDerWaalsContact C-N 3.29Å; L216-K218 PolarHBondContact O-N 2.98Å; L216-A219 PolarHBondContact O-N 2.96Å; L216-A219 VanDerWaalsContact O-N 3.16Å; L216-H220 WeakPolarHBondContact CD2-CD2 3.32Å; L216-H220 VanDerWaalsContact CG-CD2 3.43Å; L216-H220 WeakPolarHBondContact CG-CD2 3.41Å; L216-H220 PolarHBondContact O-CD2 3.33Å; L216-H220 PolarHBondContact O-N 2.94Å; L216-L236 HydrophobicContact CD1-CD1 3.95Å; L216-L236 HydrophobicContact CD1-CD2 3.52Å; L216-L236 HydrophobicContact CD1-CG 4.39Å; L216-A287 HydrophobicContact CD2-CB 3.69Å; L216-A287 WeakPolarHBondContact CD2-O 3.28Å; L216-I291 HydrophobicContact CB-CD1 4.39Å; L216-I291 HydrophobicContact CD1-CG1 3.95Å; L216-I291 HydrophobicContact CD2-CD1 4.25Å; L216-I291 HydrophobicContact CD2-CG1 4.16Å; L216-I291 HydrophobicContact CG-CG1 4.46Å
217P94.8Very high94.3Very high12 Ų1219.2 Ų19.28%0.07811%0.107CC..Hα-helixtrans-56.5-39.3177.2-25.935.5000111.9H213 V221 Y288 I291H213-P217 WeakPolarHBondContact O-CD 3.1Å; P217-V221 WeakPolarHBondContact O-CB 3.3Å; P217-V221 WeakPolarHBondContact O-CG2 3.38Å; P217-V221 PolarHBondContact O-N 3.03Å; P217-V221 VanDerWaalsContact O-N 3.13Å; P217-Y288 HydrophobicContact CB-CE2 3.93Å; P217-Y288 HydrophobicContact CG-CD1 4.31Å; P217-Y288 HydrophobicContact CG-CD2 4.35Å; P217-Y288 HydrophobicContact CG-CE1 3.78Å; P217-Y288 HydrophobicContact CG-CE2 3.82Å; P217-I291 HydrophobicContact CG-CD1 4.05Å
218K93Very high94.5Very high80 Ų8019.2 Ų19.235%0.34811%0.107SC..Hα-helixtrans-66.6-48.6176.1-64.5178.5-178.5174.50112A145 Y148 W215 L216 E222A145-K218 HydrophobicContact CB-CB 4Å; Y148-K218 HydrophobicContact CD2-CD 3.8Å; Y148-K218 HydrophobicContact CE2-CD 4.01Å; Y148-K218 HydrophobicContact CG-CD 4.32Å; Y148-K218 PolarHBondContact OH-NZ 3.27Å; W215-K218 PolarHBondContact O-N 2.74Å; L216-K218 PolarHBondContact O-N 2.98Å; K218-E222 PolarHBondContact O-N 3.41Å; K218-E222 VanDerWaalsContact O-N 3.1Å
219A94Very high95Very high0 Ų019.1 Ų19.10%011%0.106CC..Hα-helixtrans-63.1-44.4-177.400000112.2L149 W215 L216 A223L149-A219 HydrophobicContact CD1-CB 3.94Å; W215-A219 HydrophobicContact CE3-CB 3.91Å; W215-A219 HydrophobicContact CZ3-CB 4.19Å; W215-A219 VanDerWaalsContact O-CB 3.25Å; W215-A219 WeakPolarHBondContact O-CB 3.39Å; W215-A219 PolarHBondContact O-N 2.96Å; L216-A219 PolarHBondContact O-N 2.96Å; L216-A219 VanDerWaalsContact O-N 3.16Å; A219-A223 WeakPolarHBondContact O-CB 3.49Å; A219-A223 PolarHBondContact O-N 3.1Å
220H94.3Very high95.2Very high0 Ų019.3 Ų19.30%011%0.108CC..Hα-helixtrans-70.7-39.8179.4-81.6-92.7000113.5L216 L231 A232 A287 F327L216-H220 WeakPolarHBondContact CD2-CD2 3.32Å; L216-H220 VanDerWaalsContact CG-CD2 3.43Å; L216-H220 WeakPolarHBondContact CG-CD2 3.41Å; L216-H220 PolarHBondContact O-CD2 3.33Å; L216-H220 PolarHBondContact O-N 2.94Å; H220-L231 VanDerWaalsContact CE1-CB 3.42Å; H220-L231 WeakPolarHBondContact CE1-CB 3.45Å; H220-A232 PolarHBondContact CE1-N 2.89Å; H220-A232 VanDerWaalsContact CE1-N 3.33Å; H220-A287 HydrophobicContact CB-CB 3.96Å; H220-F327 HydrophobicContact CB-CE1 4.1Å; H220-F327 HydrophobicContact CB-CZ 3.87Å; H220-F327 AromaticContact CE1-CE2 3.97Å; H220-F327 AromaticContact CG-CZ 3.77Å; H220-F327 AromaticContact ND1-CE2 3.42Å; H220-F327 WeakPolarHBondContact ND1-CE2 3.25Å; H220-F327 AromaticContact ND1-CZ 3.26Å; H220-F327 VanDerWaalsContact ND1-CZ 3.26Å; H220-F327 WeakPolarHBondContact ND1-CZ 3.03Å
221V93.9Very high95.2Very high12 Ų1216.7 Ų16.77%0.07310%0.098CC..Hα-helixtrans-68.7-38.6-176.6169.70000110.7P217 K283 R340P217-V221 WeakPolarHBondContact O-CB 3.3Å; P217-V221 WeakPolarHBondContact O-CG2 3.38Å; P217-V221 PolarHBondContact O-N 3.03Å; P217-V221 VanDerWaalsContact O-N 3.13Å; V221-K283 HydrophobicContact CG2-CB 4.03Å; V221-R340 PolarHBondContact O-NH1 2.6Å
222E94.6Very high95Very high16 Ų1614.4 Ų14.48%0.0758%0.075CC..Hα-helixtrans-91.8-12.7-178.8-55.5-49157.100115.6G137 Q139 E141 R142 A145 K218 R340G137-E222 WeakPolarHBondContact CA-O 3.37Å; Q139-E222 WeakPolarHBondContact CB-OE2 3.43Å; Q139-E222 VanDerWaalsContact CG-OE2 3.28Å; Q139-E222 WeakPolarHBondContact CG-OE2 3.42Å; E141-E222 HydrophobicContact CB-CG 4.12Å; R142-E222 HydrophobicContact CB-CB 4.15Å; A145-E222 HydrophobicContact CB-CB 4.23Å; A145-E222 HydrophobicContact CB-CG 4.35Å; K218-E222 PolarHBondContact O-N 3.41Å; K218-E222 VanDerWaalsContact O-N 3.1Å; E222-R340 VanDerWaalsContact CD-NH1 3.33Å; E222-R340 IonicContact OE1-CZ 2.82Å; E222-R340 IonicContact OE1-NH1 3.18Å; E222-R340 PolarHBondContact OE1-NH1 3.36Å; E222-R340 IonicContact OE1-NH2 3.39Å; E222-R340 PolarHBondContact OE1-NH2 2.95Å; E222-R340 IonicContact OE2-CZ 3.37Å; E222-R340 IonicContact OE2-NH1 2.94Å; E222-R340 PolarHBondContact OE2-NH1 3.21Å; E222-R340 IonicContact OE2-NH2 3.12Å
223A95.1Very high95Very high3 Ų312.2 Ų12.23%0.0256%0.063CC..SBendtrans-66.7147.4171.600000112.4I133 A219 L231I133-A223 HydrophobicContact CG1-CB 4.06Å; A219-A223 WeakPolarHBondContact O-CB 3.49Å; A219-A223 PolarHBondContact O-N 3.1Å; A223-L231 HydrophobicContact CB-CD1 4.19Å
224P95.8Very high94.9Very high6 Ų611.7 Ų11.74%0.0396%0.061CC..  trans-63.4165161.530.3-34.9000110.2Y95 I132 W136 A226 G227 S228Y95-P224 HydrophobicContact CE2-CG 4.44Å; I132-P224 HydrophobicContact CG2-CG 3.58Å; W136-P224 HydrophobicContact CB-CB 4.5Å; W136-P224 HydrophobicContact CB-CG 4.1Å; W136-P224 WeakPolarHBondContact O-CB 3.33Å; P224-A226 PolarHBondContact O-N 3.43Å; P224-G227 WeakPolarHBondContact O-CA 3.42Å; P224-G227 PolarHBondContact O-N 2.96Å; P224-S228 PolarHBondContact O-N 2.99Å; P224-S228 PolarHBondContact O-OG 3.43Å
225I96.2Very high94.9Very high5 Ų58.2 Ų8.23%0.0264%0.043CC..Hα-helixtrans-53.2-47.3-173.2-17551.1000113.6A79 G227 S228 M229 F327 N331A79-I225 HydrophobicContact CB-CG1 3.9Å; A79-I225 HydrophobicContact CB-CG2 3.87Å; I225-G227 VanDerWaalsContact C-N 3.29Å; I225-G227 PolarHBondContact O-N 3.47Å; I225-S228 WeakPolarHBondContact CA-OG 3.24Å; I225-S228 PolarHBondContact O-N 3.05Å; I225-S228 PolarHBondContact O-OG 3.3Å; I225-M229 HydrophobicContact CD1-CG 4.05Å; I225-M229 HydrophobicContact CD1-SD 4.29Å; I225-M229 HydrophobicContact CG1-CG 4.34Å; I225-M229 HydrophobicContact CG1-SD 3.97Å; I225-M229 VanDerWaalsContact O-CG 3.24Å; I225-M229 WeakPolarHBondContact O-CG 3.19Å; I225-M229 PolarHBondContact O-N 2.93Å; I225-F327 HydrophobicContact CD1-CB 4.06Å; I225-F327 WeakPolarHBondContact CD1-O 3.49Å; I225-N331 HydrophobicContact CB-CB 4.26Å; I225-N331 HydrophobicContact CD1-CB 3.72Å; I225-N331 HydrophobicContact CG1-CB 3.86Å
226A94.8Very high94.8Very high0 Ų08 Ų80%04%0.042CC..Hα-helixtrans-60.4-39.6177.400000112.5T76 Y95 L99 P224 M229 V230T76-A226 HydrophobicContact CG2-CB 4.34Å; Y95-A226 HydrophobicContact CE1-CB 4.5Å; Y95-A226 WeakPolarHBondContact OH-CB 3.33Å; L99-A226 HydrophobicContact CD1-CB 4.13Å; L99-A226 HydrophobicContact CD2-CB 3.86Å; P224-A226 PolarHBondContact O-N 3.43Å; A226-M229 PolarHBondContact O-N 3.16Å; A226-V230 WeakPolarHBondContact O-CG2 3.26Å; A226-V230 PolarHBondContact O-N 3.33Å
227G94.7Very high94.9Very high6 Ų68 Ų86%0.0624%0.042CC..Hα-helixtrans-61.7-49.817600000110.9P224 I225 M229 V230 L231P224-G227 WeakPolarHBondContact O-CA 3.42Å; P224-G227 PolarHBondContact O-N 2.96Å; I225-G227 VanDerWaalsContact C-N 3.29Å; I225-G227 PolarHBondContact O-N 3.47Å; G227-M229 VanDerWaalsContact C-N 3.3Å; G227-M229 PolarHBondContact O-N 3.33Å; G227-V230 PolarHBondContact O-N 3.22Å; G227-L231 VanDerWaalsContact O-CB 3.26Å; G227-L231 WeakPolarHBondContact O-CB 3.07Å; G227-L231 WeakPolarHBondContact O-CD1 3.12Å; G227-L231 WeakPolarHBondContact O-CG 3.06Å; G227-L231 PolarHBondContact O-N 2.98Å
228S95.6Very high94.9Very high0 Ų07.4 Ų7.40%04%0.038CC..Hα-helixtrans-60.6-37.317754.10000113.1P224 I225 A232P224-S228 PolarHBondContact O-N 2.99Å; P224-S228 PolarHBondContact O-OG 3.43Å; I225-S228 WeakPolarHBondContact CA-OG 3.24Å; I225-S228 PolarHBondContact O-N 3.05Å; I225-S228 PolarHBondContact O-OG 3.3Å; S228-A232 VanDerWaalsContact O-CB 3.23Å; S228-A232 WeakPolarHBondContact O-CB 3.21Å; S228-A232 PolarHBondContact O-N 3.36Å
229M97.4Very high95Very high0 Ų03.6 Ų3.60%02%0.022CC..Hα-helixtrans-65.5-50.5176.5-68.8166.677.400111.6L72 L75 T76 A79 I225 A226 G227 A232 A233 C328 H440L72-M229 HydrophobicContact CD1-CE 4.38Å; L75-M229 HydrophobicContact CB-CE 3.91Å; T76-M229 HydrophobicContact CG2-CB 3.93Å; T76-M229 HydrophobicContact CG2-CE 3.94Å; T76-M229 HydrophobicContact CG2-SD 3.99Å; A79-M229 HydrophobicContact CB-CE 4.36Å; A79-M229 HydrophobicContact CB-SD 3.56Å; A79-M229 VanDerWaalsContact CB-SD 3.56Å; I225-M229 HydrophobicContact CD1-CG 4.05Å; I225-M229 HydrophobicContact CD1-SD 4.29Å; I225-M229 HydrophobicContact CG1-CG 4.34Å; I225-M229 HydrophobicContact CG1-SD 3.97Å; I225-M229 VanDerWaalsContact O-CG 3.24Å; I225-M229 WeakPolarHBondContact O-CG 3.19Å; I225-M229 PolarHBondContact O-N 2.93Å; A226-M229 PolarHBondContact O-N 3.16Å; G227-M229 VanDerWaalsContact C-N 3.3Å; G227-M229 PolarHBondContact O-N 3.33Å; M229-A232 PolarHBondContact O-N 3.36Å; M229-A233 WeakPolarHBondContact O-CB 3.22Å; M229-A233 PolarHBondContact O-N 2.91Å; M229-C328 VanDerWaalsContact CE-SG 3.59Å; M229-C328 PolarHBondContact SD-SG 2.84Å; M229-H440 WeakPolarHBondContact CE-NE2 3.32Å
230V96.8Very high95.1Very high12 Ų123.6 Ų3.67%0.0732%0.022CC..Hα-helixtrans-68.5-38.7-178.4-176.80000111.6L72 T76 L102 L106 A226 G227 V234 L235L72-V230 HydrophobicContact CD2-CB 4.23Å; L72-V230 HydrophobicContact CD2-CG2 3.88Å; T76-V230 HydrophobicContact CG2-CG2 3.73Å; L102-V230 HydrophobicContact CD2-CB 4.1Å; L102-V230 HydrophobicContact CD2-CG1 3.51Å; L102-V230 HydrophobicContact CD2-CG2 4.31Å; L102-V230 HydrophobicContact CG-CG1 4.15Å; L106-V230 HydrophobicContact CD1-CG1 3.99Å; A226-V230 WeakPolarHBondContact O-CG2 3.26Å; A226-V230 PolarHBondContact O-N 3.33Å; G227-V230 PolarHBondContact O-N 3.22Å; V230-V234 PolarHBondContact O-N 3.21Å; V230-L235 HydrophobicContact CG1-CD1 4.1Å; V230-L235 HydrophobicContact CG1-CG 4.26Å; V230-L235 PolarHBondContact O-N 2.98Å; V230-L235 VanDerWaalsContact O-N 3.11Å
231L94.3Very high95.1Very high4 Ų43.7 Ų3.72%0.0212%0.022CC..Iπ-helixtrans-55.5-52.7171.6-74.2163000110.6I133 L149 H220 A223 G227 L235 L236I133-L231 HydrophobicContact CD1-CD1 4.04Å; L149-L231 HydrophobicContact CD1-CD2 3.94Å; H220-L231 VanDerWaalsContact CE1-CB 3.42Å; H220-L231 WeakPolarHBondContact CE1-CB 3.45Å; A223-L231 HydrophobicContact CB-CD1 4.19Å; G227-L231 VanDerWaalsContact O-CB 3.26Å; G227-L231 WeakPolarHBondContact O-CB 3.07Å; G227-L231 WeakPolarHBondContact O-CD1 3.12Å; G227-L231 WeakPolarHBondContact O-CG 3.06Å; G227-L231 PolarHBondContact O-N 2.98Å; L231-L235 HydrophobicContact CB-CD1 4.44Å; L231-L235 HydrophobicContact CD2-CB 4.4Å; L231-L235 HydrophobicContact CD2-CD1 3.51Å; L231-L235 HydrophobicContact CG-CD1 3.94Å; L231-L235 PolarHBondContact O-N 3.41Å; L231-L236 WeakPolarHBondContact O-CG 3.33Å; L231-L236 PolarHBondContact O-N 3.38Å
232A92.3Very high95.2Very high0 Ų03.1 Ų3.10%02%0.019CC..Iπ-helixtrans-69.5-48.3-174.300000111.4H220 S228 M229 K237 S323 F327H220-A232 PolarHBondContact CE1-N 2.89Å; H220-A232 VanDerWaalsContact CE1-N 3.33Å; S228-A232 VanDerWaalsContact O-CB 3.23Å; S228-A232 WeakPolarHBondContact O-CB 3.21Å; S228-A232 PolarHBondContact O-N 3.36Å; M229-A232 PolarHBondContact O-N 3.36Å; A232-K237 PolarHBondContact O-NZ 3.03Å; A232-S323 WeakPolarHBondContact CB-OG 3.45Å; A232-F327 HydrophobicContact CB-CD2 3.85Å; A232-F327 HydrophobicContact CB-CE2 3.7Å
233A94.4Very high95.2Very high0 Ų02.7 Ų2.70%02%0.017CC..Iπ-helixtrans-74.9-39.3-170.300000113.1L68 L72 M229 K237 G320L68-A233 WeakPolarHBondContact CD2-O 3.49Å; L72-A233 HydrophobicContact CD1-CB 3.92Å; L72-A233 HydrophobicContact CD2-CB 3.6Å; L72-A233 HydrophobicContact CG-CB 4.41Å; M229-A233 WeakPolarHBondContact O-CB 3.22Å; M229-A233 PolarHBondContact O-N 2.91Å; A233-K237 WeakPolarHBondContact O-CD 3.21Å; A233-K237 WeakPolarHBondContact O-CE 3.37Å; A233-G320 WeakPolarHBondContact CB-O 3.37Å
234V95.9Very high95.1Very high3 Ų33.7 Ų3.72%0.0182%0.021CC..Iπ-helixtrans-124.5-45.9-167.3-175.50000113.4T69 L72 L106 F110 V230 L236 K237 L238T69-V234 HydrophobicContact CG2-CB 4.34Å; T69-V234 HydrophobicContact CG2-CG1 3.45Å; T69-V234 VanDerWaalsContact CG2-CG1 3.45Å; T69-V234 HydrophobicContact CG2-CG2 3.87Å; L72-V234 HydrophobicContact CD2-CG2 4.04Å; L106-V234 HydrophobicContact CD1-CB 4.38Å; L106-V234 HydrophobicContact CD1-CG1 3.91Å; L106-V234 HydrophobicContact CD2-CG1 3.68Å; L106-V234 HydrophobicContact CG-CG1 4.3Å; F110-V234 HydrophobicContact CE2-CG1 3.61Å; F110-V234 HydrophobicContact CZ-CG1 3.81Å; V230-V234 PolarHBondContact O-N 3.21Å; V234-L236 VanDerWaalsContact C-N 3.31Å; V234-L236 PolarHBondContact O-N 2.93Å; V234-K237 WeakPolarHBondContact O-CA 3.46Å; V234-K237 WeakPolarHBondContact O-CB 2.83Å; V234-K237 PolarHBondContact O-N 2.82Å; V234-L238 PolarHBondContact O-N 3.17Å
235L95.1Very high95Very high9 Ų94.1 Ų4.15%0.0472%0.022CC..Iπ-helixtrans-67-32.7-169.5-67.4163.8000113L102 L106 T125 T129 V230 L231 K237 L238L102-L235 HydrophobicContact CD1-CD2 4.48Å; L106-L235 HydrophobicContact CD2-CD2 3.98Å; T125-L235 HydrophobicContact CG2-CD2 4.48Å; T129-L235 HydrophobicContact CG2-CD1 3.31Å; T129-L235 HydrophobicContact CG2-CD2 4.33Å; T129-L235 HydrophobicContact CG2-CG 4.48Å; V230-L235 HydrophobicContact CG1-CD1 4.1Å; V230-L235 HydrophobicContact CG1-CG 4.26Å; V230-L235 PolarHBondContact O-N 2.98Å; V230-L235 VanDerWaalsContact O-N 3.11Å; L231-L235 HydrophobicContact CB-CD1 4.44Å; L231-L235 HydrophobicContact CD2-CB 4.4Å; L231-L235 HydrophobicContact CD2-CD1 3.51Å; L231-L235 HydrophobicContact CG-CD1 3.94Å; L231-L235 PolarHBondContact O-N 3.41Å; L235-K237 PolarHBondContact O-N 3.35Å; L235-L238 HydrophobicContact CD2-CD1 3.79Å; L235-L238 WeakPolarHBondContact O-CB 3.23Å; L235-L238 PolarHBondContact O-N 3.32Å
236L93.2Very high94.7Very high0 Ų04 Ų40%02%0.022CC..Hα-helixtrans-64.9-32.1171.5-57.1177.4000111.9K206 M207 W215 L216 L231 V234 L238 G239 M294K206-L236 VanDerWaalsContact O-CD2 3.3Å; K206-L236 WeakPolarHBondContact O-CD2 3.4Å; M207-L236 VanDerWaalsContact CG-O 3.26Å; M207-L236 WeakPolarHBondContact CG-O 3.41Å; W215-L236 HydrophobicContact CH2-CD2 3.89Å; W215-L236 HydrophobicContact CZ2-CD2 4.24Å; L216-L236 HydrophobicContact CD1-CD1 3.95Å; L216-L236 HydrophobicContact CD1-CD2 3.52Å; L216-L236 HydrophobicContact CD1-CG 4.39Å; L231-L236 WeakPolarHBondContact O-CG 3.33Å; L231-L236 PolarHBondContact O-N 3.38Å; V234-L236 VanDerWaalsContact C-N 3.31Å; V234-L236 PolarHBondContact O-N 2.93Å; L236-L238 VanDerWaalsContact C-N 3.32Å; L236-L238 PolarHBondContact O-N 3.23Å; L236-G239 PolarHBondContact O-N 2.96Å; L236-M294 HydrophobicContact CB-CG 4.29Å; L236-M294 HydrophobicContact CB-SD 4.24Å; L236-M294 HydrophobicContact CD1-CG 4.12Å
237K96.9Very high94.3Very high0 Ų05.5 Ų5.50%03%0.031CC..Hα-helixtrans-77-21.3-176-73.357.7169.51750111.9L65 A232 A233 V234 L235 G239 G240 Y241 M294 M316 H319L65-K237 HydrophobicContact CD2-CB 3.94Å; L65-K237 HydrophobicContact CD2-CG 4.19Å; A232-K237 PolarHBondContact O-NZ 3.03Å; A233-K237 WeakPolarHBondContact O-CD 3.21Å; A233-K237 WeakPolarHBondContact O-CE 3.37Å; V234-K237 WeakPolarHBondContact O-CA 3.46Å; V234-K237 WeakPolarHBondContact O-CB 2.83Å; V234-K237 PolarHBondContact O-N 2.82Å; L235-K237 PolarHBondContact O-N 3.35Å; K237-G239 PolarHBondContact O-N 3.43Å; K237-G240 PolarHBondContact O-N 2.93Å; K237-G240 VanDerWaalsContact O-N 3.17Å; K237-Y241 WeakPolarHBondContact O-CB 3.21Å; K237-Y241 PolarHBondContact O-N 3.38Å; K237-M294 HydrophobicContact CD-SD 4.23Å; K237-M316 HydrophobicContact CB-SD 4.16Å; K237-M316 WeakPolarHBondContact CE-O 3.28Å; K237-M316 HydrophobicContact CG-CB 3.74Å; K237-M316 HydrophobicContact CG-CG 3.89Å; K237-M316 HydrophobicContact CG-SD 4.04Å; K237-H319 PolarHBondContact NZ-CD2 2.7Å
238L95Very high93.8Very high0 Ų08.8 Ų8.80%05%0.046CC..Hα-helixtrans-57.7-34.8169.3-70173.8000111.8L106 T109 F110 F122 T125 V234 L235 L236 G242L106-L238 HydrophobicContact CD2-CD1 3.81Å; L106-L238 HydrophobicContact CD2-CD2 4.21Å; L106-L238 HydrophobicContact CD2-CG 4.23Å; T109-L238 HydrophobicContact CG2-CD2 4.33Å; T109-L238 VanDerWaalsContact OG1-CD2 3.31Å; T109-L238 WeakPolarHBondContact OG1-CD2 3.19Å; F110-L238 HydrophobicContact CD1-CD2 4.35Å; F110-L238 HydrophobicContact CE1-CD2 3.64Å; F110-L238 HydrophobicContact CE2-CD2 3.98Å; F110-L238 HydrophobicContact CZ-CD2 3.43Å; F110-L238 VanDerWaalsContact CZ-CD2 3.43Å; F110-L238 HydrophobicContact CZ-CG 4.09Å; F122-L238 HydrophobicContact CD2-CB 4.05Å; F122-L238 HydrophobicContact CD2-CD1 4.28Å; F122-L238 HydrophobicContact CE2-CB 4.09Å; T125-L238 HydrophobicContact CG2-CD1 4.15Å; V234-L238 PolarHBondContact O-N 3.17Å; L235-L238 HydrophobicContact CD2-CD1 3.79Å; L235-L238 WeakPolarHBondContact O-CB 3.23Å; L235-L238 PolarHBondContact O-N 3.32Å; L236-L238 VanDerWaalsContact C-N 3.32Å; L236-L238 PolarHBondContact O-N 3.23Å; L238-G242 PolarHBondContact O-N 2.94Å
239G94.8Very high93.5Very high0 Ų09.3 Ų9.30%05%0.049CC..Hα-helixtrans-62.2-50.9173.800000111.6F203 L236 K237 G242 M243F203-G239 WeakPolarHBondContact CB-O 3.34Å; L236-G239 PolarHBondContact O-N 2.96Å; K237-G239 PolarHBondContact O-N 3.43Å; G239-G242 PolarHBondContact O-N 2.72Å; G239-M243 WeakPolarHBondContact O-CG 3.4Å; G239-M243 PolarHBondContact O-N 3.21Å
240G95.4Very high93.2Very high0 Ų09.5 Ų9.50%05%0.05CC..Hα-helixtrans-63.7-44.4179.800000112.7M207 K237 G242 M243 M244M207-G240 VanDerWaalsContact CE-CA 3.44Å; M207-G240 WeakPolarHBondContact SD-CA 3.21Å; M207-G240 PolarHBondContact SD-N 2.93Å; K237-G240 PolarHBondContact O-N 2.93Å; K237-G240 VanDerWaalsContact O-N 3.17Å; G240-G242 PolarHBondContact O-N 2.91Å; G240-M243 PolarHBondContact O-N 3.39Å; G240-M244 WeakPolarHBondContact O-CG 2.74Å; G240-M244 PolarHBondContact O-N 3.44Å
241Y95.8Very high92.8Very high1 Ų111.7 Ų11.70%0.0046%0.061CC..Hα-helixtrans-56.5-50.1173.8177.5-105.3000111.9L61 T62 L65 F110 F118 K237 M244 R245L61-Y241 HydrophobicContact CD2-CD2 3.68Å; L61-Y241 HydrophobicContact CD2-CE2 3.79Å; L61-Y241 HydrophobicContact CG-CD2 3.88Å; L61-Y241 HydrophobicContact CG-CE2 4.09Å; T62-Y241 HydrophobicContact CG2-CE2 3.8Å; L65-Y241 HydrophobicContact CD1-CD2 3.94Å; L65-Y241 HydrophobicContact CD1-CG 4.31Å; F110-Y241 AromaticContact CD1-CD1 3.84Å; F110-Y241 HydrophobicContact CD1-CD1 3.84Å; F110-Y241 HydrophobicContact CD1-CD2 4.04Å; F110-Y241 HydrophobicContact CD1-CE1 4.2Å; F110-Y241 HydrophobicContact CD1-CE2 4.42Å; F110-Y241 AromaticContact CD1-CG 3.75Å; F110-Y241 HydrophobicContact CD1-CG 3.75Å; F110-Y241 HydrophobicContact CE1-CD1 4.18Å; F110-Y241 HydrophobicContact CE1-CD2 4.48Å; F110-Y241 AromaticContact CE1-CG 3.92Å; F110-Y241 HydrophobicContact CE1-CG 3.92Å; F110-Y241 PolarHBondContact O-OH 3.36Å; F118-Y241 HydrophobicContact CD2-CD1 4.3Å; F118-Y241 AromaticContact CD2-CE1 3.9Å; F118-Y241 HydrophobicContact CD2-CE1 3.9Å; F118-Y241 AromaticContact CE2-CD1 3.57Å; F118-Y241 HydrophobicContact CE2-CD1 3.57Å; F118-Y241 AromaticContact CE2-CE1 3.65Å; F118-Y241 HydrophobicContact CE2-CE1 3.65Å; F118-Y241 HydrophobicContact CZ-CD1 4.11Å; F118-Y241 HydrophobicContact CZ-CE1 4.43Å; K237-Y241 WeakPolarHBondContact O-CB 3.21Å; K237-Y241 PolarHBondContact O-N 3.38Å; Y241-M244 PolarHBondContact O-N 3.06Å; Y241-R245 HydrophobicContact CE1-CG 4.16Å; Y241-R245 HydrophobicContact CE2-CG 4.08Å; Y241-R245 WeakPolarHBondContact O-CG 3.24Å; Y241-R245 PolarHBondContact O-N 2.98Å; Y241-R245 PolarHBondContact OH-NE 3.17Å; Y241-R245 PolarHBondContact OH-NH2 2.97Å
242G95.6Very high92.7Very high0 Ų013.9 Ų13.90%08%0.076CC..Hα-helixtrans-62.6-43.2179.300000112.9L238 G239 G240 M244 R245 L246L238-G242 PolarHBondContact O-N 2.94Å; G239-G242 PolarHBondContact O-N 2.72Å; G240-G242 PolarHBondContact O-N 2.91Å; G242-M244 PolarHBondContact O-N 2.84Å; G242-R245 PolarHBondContact O-N 3.45Å; G242-L246 WeakPolarHBondContact O-CG 2.99Å; G242-L246 PolarHBondContact O-N 2.91Å; G242-L246 VanDerWaalsContact O-N 3.1Å
243M94.6Very high92.7Very high8 Ų814 Ų144%0.0398%0.076CC..Hα-helixtrans-60.7-46.7175.1-73.5-167.971.100111.9F203 M204 M207 G239 G240 R245 L246 T247 I301 L302F203-M243 HydrophobicContact CB-CG 3.44Å; F203-M243 VanDerWaalsContact CB-CG 3.44Å; F203-M243 HydrophobicContact CB-SD 4.28Å; F203-M243 HydrophobicContact CD2-CG 4.19Å; F203-M243 HydrophobicContact CG-CG 4.01Å; M204-M243 HydrophobicContact CE-CE 3.35Å; M204-M243 HydrophobicContact CE-SD 3.82Å; M204-M243 HydrophobicContact SD-CE 4.29Å; M204-M243 HydrophobicContact SD-SD 3.95Å; M207-M243 HydrophobicContact CE-CB 4.38Å; M207-M243 HydrophobicContact CE-CG 3.9Å; M207-M243 HydrophobicContact CE-SD 3.24Å; M207-M243 WeakPolarHBondContact CE-SD 3.44Å; G239-M243 WeakPolarHBondContact O-CG 3.4Å; G239-M243 PolarHBondContact O-N 3.21Å; G240-M243 PolarHBondContact O-N 3.39Å; M243-R245 VanDerWaalsContact C-N 3.27Å; M243-R245 PolarHBondContact O-N 2.83Å; M243-L246 PolarHBondContact O-N 2.68Å; M243-L246 VanDerWaalsContact O-N 3.15Å; M243-T247 VanDerWaalsContact O-CG2 3.26Å; M243-T247 WeakPolarHBondContact O-CG2 2.91Å; M243-T247 PolarHBondContact O-N 3.01Å; M243-I301 HydrophobicContact CB-CD1 4.49Å; M243-I301 HydrophobicContact CB-CG2 3.73Å; M243-I301 HydrophobicContact CE-CG2 4.16Å; M243-L302 HydrophobicContact CE-CD2 3.75Å; M243-L302 HydrophobicContact CE-CG 4.27Å
244M93.6Very high92.6Very high24 Ų2414.2 Ų14.212%0.1188%0.078CC..Hα-helixtrans-62.1-31.6178.4-73.1-177.7177.200113.1L61 G240 Y241 G242 T247 I301 A312 V313 M316L61-M244 HydrophobicContact CD1-SD 3.45Å; L61-M244 WeakPolarHBondContact CD1-SD 3.45Å; L61-M244 HydrophobicContact CD2-CB 3.95Å; L61-M244 HydrophobicContact CD2-SD 4.13Å; L61-M244 HydrophobicContact CG-SD 4.46Å; G240-M244 WeakPolarHBondContact O-CG 2.74Å; G240-M244 PolarHBondContact O-N 3.44Å; Y241-M244 PolarHBondContact O-N 3.06Å; G242-M244 PolarHBondContact O-N 2.84Å; M244-T247 PolarHBondContact O-OG1 3.07Å; M244-I301 HydrophobicContact CE-CD1 3.93Å; M244-I301 HydrophobicContact CE-CG1 3.6Å; M244-I301 HydrophobicContact CG-CD1 4.09Å; M244-I301 HydrophobicContact CG-CG1 4.01Å; M244-I301 HydrophobicContact CG-CG2 4.31Å; M244-A312 HydrophobicContact CE-CB 3.38Å; M244-V313 HydrophobicContact CE-CG2 3.84Å; M244-V313 HydrophobicContact SD-CG2 3.94Å; M244-M316 HydrophobicContact CE-CE 3.86Å; M244-M316 HydrophobicContact SD-CE 4.18Å
245R91.9Very high92.3Very high15 Ų1521 Ų216%0.05711%0.107CC..Hα-helixtrans-72.8-35174.5-68.9-56.2-165.8174.45.9112.8D59 L115 I176 Y241 G242 M243D59-R245 IonicContact OD2-CZ 2.89Å; D59-R245 IonicContact OD2-NH1 3.04Å; D59-R245 PolarHBondContact OD2-NH1 2.8Å; D59-R245 IonicContact OD2-NH2 3.18Å; D59-R245 PolarHBondContact OD2-NH2 3.48Å; L115-R245 HydrophobicContact CD2-CB 4.45Å; I176-R245 HydrophobicContact CD1-CG 4.34Å; Y241-R245 HydrophobicContact CE1-CG 4.16Å; Y241-R245 HydrophobicContact CE2-CG 4.08Å; Y241-R245 WeakPolarHBondContact O-CG 3.24Å; Y241-R245 PolarHBondContact O-N 2.98Å; Y241-R245 PolarHBondContact OH-NE 3.17Å; Y241-R245 PolarHBondContact OH-NH2 2.97Å; G242-R245 PolarHBondContact O-N 3.45Å; M243-R245 VanDerWaalsContact C-N 3.27Å; M243-R245 PolarHBondContact O-N 2.83Å
246L90.9Very high92.2Very high3 Ų326.6 Ų26.62%0.01613%0.133CC..Hα-helixtrans-86.1-14-177.6-68177.5000114L115 L160 L164 Y199 F203 G242 M243 L248 I249 L250L115-L246 HydrophobicContact CD1-CD2 3.76Å; L115-L246 HydrophobicContact CD2-CD2 4.15Å; L160-L246 HydrophobicContact CD1-CD1 4.02Å; L164-L246 HydrophobicContact CD2-CD2 4.49Å; Y199-L246 HydrophobicContact CD1-CD1 4.02Å; Y199-L246 HydrophobicContact CD1-CD2 4.26Å; Y199-L246 HydrophobicContact CG-CD1 4.45Å; F203-L246 HydrophobicContact CD2-CD1 4.08Å; F203-L246 HydrophobicContact CE2-CD1 3.2Å; F203-L246 HydrophobicContact CE2-CG 4.39Å; F203-L246 HydrophobicContact CZ-CD1 3.85Å; G242-L246 WeakPolarHBondContact O-CG 2.99Å; G242-L246 PolarHBondContact O-N 2.91Å; G242-L246 VanDerWaalsContact O-N 3.1Å; M243-L246 PolarHBondContact O-N 2.68Å; M243-L246 VanDerWaalsContact O-N 3.15Å; L246-L248 PolarHBondContact O-N 3.39Å; L246-I249 HydrophobicContact CD2-CD1 3.96Å; L246-I249 PolarHBondContact O-N 3.39Å; L246-L250 HydrophobicContact CB-CD1 4.09Å; L246-L250 VanDerWaalsContact O-CG 3.29Å; L246-L250 WeakPolarHBondContact O-CG 3.43Å; L246-L250 PolarHBondContact O-N 2.91Å; L246-L250 VanDerWaalsContact O-N 3.14Å
247T86.1Confident92.2Very high31 Ų3128.3 Ų28.319%0.1914%0.141CC..Hα-helixtrans-55-29.817753.20000112.7M243 M244 I249 L250 N251 I301 Q304M243-T247 VanDerWaalsContact O-CG2 3.26Å; M243-T247 WeakPolarHBondContact O-CG2 2.91Å; M243-T247 PolarHBondContact O-N 3.01Å; M244-T247 PolarHBondContact O-OG1 3.07Å; T247-I249 VanDerWaalsContact C-N 3.33Å; T247-I249 PolarHBondContact O-N 3.32Å; T247-L250 PolarHBondContact O-N 3.12Å; T247-N251 PolarHBondContact O-N 3.18Å; T247-N251 PolarHBondContact O-ND2 3.13Å; T247-N251 PolarHBondContact O-OD1 3.47Å; T247-I301 HydrophobicContact CG2-CG2 4.37Å; T247-Q304 HydrophobicContact CG2-CG 4.26Å; T247-Q304 VanDerWaalsContact CG2-NE2 3.35Å
248L85.6Confident92.1Very high74 Ų7428.5 Ų28.539%0.38714%0.143SC..Hα-helixtrans-59.8-40.3175.3-69166.4000112.7T180 L246T180-L248 HydrophobicContact CG2-CD1 3.75Å; L246-L248 PolarHBondContact O-N 3.39Å
249I88.8Confident92.1Very high11 Ų1134.2 Ų34.26%0.05617%0.165CC..Hα-helixtrans-81.3-31.9-179.1-56.8176000110.7L115 T167 L179 L186 Y199 L246 T247 N251L115-I249 HydrophobicContact CD1-CD1 3.74Å; T167-I249 HydrophobicContact CG2-CG2 4.43Å; L179-I249 HydrophobicContact CD1-CD1 4.05Å; L179-I249 HydrophobicContact CD2-CD1 4.29Å; L179-I249 HydrophobicContact CD2-CG1 4.43Å; L186-I249 WeakPolarHBondContact CD1-O 3.24Å; L186-I249 WeakPolarHBondContact CG-O 3.14Å; Y199-I249 HydrophobicContact CE2-CG2 4.32Å; L246-I249 HydrophobicContact CD2-CD1 3.96Å; L246-I249 PolarHBondContact O-N 3.39Å; T247-I249 VanDerWaalsContact C-N 3.33Å; T247-I249 PolarHBondContact O-N 3.32Å; I249-N251 VanDerWaalsContact C-N 3.35Å; I249-N251 PolarHBondContact O-N 3.03Å
250L90.6Very high92.2Very high5 Ų537.9 Ų37.93%0.02619%0.189CC..Hα-helixtrans-81.7-10.9-168.3-63.9170.6000114.5L186 W196 Y199 T200 L246 T247 L253 T254L186-L250 HydrophobicContact CD1-CD2 4.47Å; W196-L250 HydrophobicContact CB-CD2 4.33Å; W196-L250 HydrophobicContact CG-CD2 4.07Å; Y199-L250 HydrophobicContact CD2-CD2 3.53Å; Y199-L250 HydrophobicContact CE2-CD2 4.49Å; Y199-L250 HydrophobicContact CG-CD2 3.95Å; T200-L250 HydrophobicContact CG2-CD1 3.69Å; L246-L250 HydrophobicContact CB-CD1 4.09Å; L246-L250 VanDerWaalsContact O-CG 3.29Å; L246-L250 WeakPolarHBondContact O-CG 3.43Å; L246-L250 PolarHBondContact O-N 2.91Å; L246-L250 VanDerWaalsContact O-N 3.14Å; T247-L250 PolarHBondContact O-N 3.12Å; L250-L253 PolarHBondContact O-N 2.99Å; L250-T254 HydrophobicContact CB-CG2 3.43Å; L250-T254 VanDerWaalsContact CB-CG2 3.43Å; L250-T254 WeakPolarHBondContact O-CG2 3.42Å; L250-T254 PolarHBondContact O-N 3.36Å
251N89.3Confident92.3Very high57 Ų5738.9 Ų38.931%0.30519%0.193SC..THydrogen-bonded Turntrans-81.4147.7-176.8-73-5.9000111.9L186 T247 I249 T254 Q304L186-N251 PolarHBondContact N-O 2.97Å; T247-N251 PolarHBondContact O-N 3.18Å; T247-N251 PolarHBondContact O-ND2 3.13Å; T247-N251 PolarHBondContact O-OD1 3.47Å; I249-N251 VanDerWaalsContact C-N 3.35Å; I249-N251 PolarHBondContact O-N 3.03Å; N251-T254 WeakPolarHBondContact OD1-CG2 3.38Å; N251-T254 PolarHBondContact OD1-OG1 2.88Å; N251-Q304 PolarHBondContact ND2-OE1 2.67Å; N251-Q304 PolarHBondContact OD1-NE2 3.48Å; N251-Q304 VanDerWaalsContact OD1-NE2 3.16Å; N251-Q304 PolarHBondContact OD1-OE1 3.25Å
252P91.3Very high92.3Very high50 Ų5039.1 Ų39.133%0.32520%0.195SC..THydrogen-bonded Turncis-86.40.8-1.434.5-36.9000115.2T254 K255P252-T254 PolarHBondContact O-N 3.41Å; P252-T254 VanDerWaalsContact O-N 3.16Å; P252-K255 WeakPolarHBondContact O-CB 3.42Å; P252-K255 PolarHBondContact O-N 3.23Å; P252-K255 VanDerWaalsContact O-N 3.08Å
253L92.6Very high92.3Very high3 Ų343.8 Ų43.82%0.01622%0.223CC..THydrogen-bonded Turntrans-59-29.4-172.6-120.3161.1000114.4L186 S187 N192 N193 L250 K255 H256 M257L186-L253 HydrophobicContact CB-CB 4.19Å; L186-L253 HydrophobicContact CB-CD1 3.54Å; L186-L253 HydrophobicContact CB-CG 4.39Å; S187-L253 WeakPolarHBondContact O-CD1 3.33Å; N192-L253 HydrophobicContact CB-CD1 3.42Å; N192-L253 VanDerWaalsContact CB-CD1 3.42Å; N193-L253 WeakPolarHBondContact OD1-CD2 3.49Å; L250-L253 PolarHBondContact O-N 2.99Å; L253-K255 PolarHBondContact O-N 3.46Å; L253-K255 VanDerWaalsContact O-N 3.17Å; L253-H256 PolarHBondContact O-N 3.37Å; L253-M257 HydrophobicContact CD2-CG 3.72Å; L253-M257 PolarHBondContact O-N 2.72Å
254T92.7Very high92.5Very high4 Ų446.6 Ų46.63%0.02524%0.238CC..Hα-helixtrans-46.9-39.4171.148.10000113.3L250 N251 P252 H256 M257 A258 Q304L250-T254 HydrophobicContact CB-CG2 3.43Å; L250-T254 VanDerWaalsContact CB-CG2 3.43Å; L250-T254 WeakPolarHBondContact O-CG2 3.42Å; L250-T254 PolarHBondContact O-N 3.36Å; N251-T254 WeakPolarHBondContact OD1-CG2 3.38Å; N251-T254 PolarHBondContact OD1-OG1 2.88Å; P252-T254 PolarHBondContact O-N 3.41Å; P252-T254 VanDerWaalsContact O-N 3.16Å; T254-H256 PolarHBondContact O-N 2.99Å; T254-H256 VanDerWaalsContact O-N 3.15Å; T254-M257 PolarHBondContact O-N 3.12Å; T254-A258 WeakPolarHBondContact O-CB 3.43Å; T254-A258 PolarHBondContact O-N 2.93Å; T254-Q304 PolarHBondContact OG1-OE1 2.94Å
255K89.5Confident92.6Very high146 Ų14645.5 Ų45.564%0.63523%0.232SC*.Hα-helixtrans-59.7-28.2-178.8-66.3-179.7-180176.50113P252 L253 Y259P252-K255 WeakPolarHBondContact O-CB 3.42Å; P252-K255 PolarHBondContact O-N 3.23Å; P252-K255 VanDerWaalsContact O-N 3.08Å; L253-K255 PolarHBondContact O-N 3.46Å; L253-K255 VanDerWaalsContact O-N 3.17Å; K255-Y259 WeakPolarHBondContact O-CE2 3.33Å
256H91.3Very high92.9Very high127 Ų12745.4 Ų45.459%0.58823%0.233SC*.Hα-helixtrans-99.3-39.3178.1-60.8-61.4000112.3L253 T254 Y259L253-H256 PolarHBondContact O-N 3.37Å; T254-H256 PolarHBondContact O-N 2.99Å; T254-H256 VanDerWaalsContact O-N 3.15Å; H256-Y259 WeakPolarHBondContact O-CD2 3.35Å
257M94.8Very high93.2Very high36 Ų3651.9 Ų51.918%0.17726%0.257CS..Hα-helixtrans-78.6-19.3-175.6-67.5-62.9-70.700113.7N193 W196 L197 L253 T254 Y259 P260 F261N193-M257 HydrophobicContact CB-CE 3.96Å; N193-M257 HydrophobicContact CB-SD 4.09Å; W196-M257 HydrophobicContact CD2-CB 3.56Å; W196-M257 HydrophobicContact CD2-CG 4.12Å; W196-M257 HydrophobicContact CE3-CB 3.69Å; W196-M257 HydrophobicContact CE3-CE 4.03Å; W196-M257 HydrophobicContact CE3-CG 4.3Å; W196-M257 HydrophobicContact CG-CB 4.14Å; W196-M257 HydrophobicContact CG-CG 4.25Å; W196-M257 HydrophobicContact CH2-CB 4.02Å; W196-M257 HydrophobicContact CZ2-CB 3.88Å; W196-M257 HydrophobicContact CZ3-CB 3.94Å; L197-M257 HydrophobicContact CD1-CE 4.37Å; L197-M257 HydrophobicContact CG-CE 4.14Å; L253-M257 HydrophobicContact CD2-CG 3.72Å; L253-M257 PolarHBondContact O-N 2.72Å; T254-M257 PolarHBondContact O-N 3.12Å; M257-Y259 PolarHBondContact O-N 3.23Å; M257-P260 WeakPolarHBondContact O-CD 3.24Å; M257-F261 WeakPolarHBondContact O-CD2 3.22Å
258A94.9Very high93.7Very high4 Ų450.5 Ų50.53%0.03325%0.249CC..THydrogen-bonded Turntrans-69.9-25.9-177.200000114.4T254 F261 L262 L302T254-A258 WeakPolarHBondContact O-CB 3.43Å; T254-A258 PolarHBondContact O-N 2.93Å; A258-F261 PolarHBondContact O-N 3.18Å; A258-F261 VanDerWaalsContact O-N 3.11Å; A258-L262 HydrophobicContact CB-CD1 3.98Å; A258-L262 HydrophobicContact CB-CG 4.37Å; A258-L262 WeakPolarHBondContact O-CG 3.42Å; A258-L262 PolarHBondContact O-N 3.47Å; A258-L302 HydrophobicContact CB-CB 4.2Å; A258-L302 HydrophobicContact CB-CD2 4.06Å
259Y95.2Very high94.2Very high119 Ų11947 Ų4747%0.46723%0.23SC..Hα-helixtrans-54.2-49.1-170-74.6-79.2000114.8K255 H256 M257 F261 L262 V263 W388K255-Y259 WeakPolarHBondContact O-CE2 3.33Å; H256-Y259 WeakPolarHBondContact O-CD2 3.35Å; M257-Y259 PolarHBondContact O-N 3.23Å; Y259-F261 VanDerWaalsContact C-N 3.28Å; Y259-F261 PolarHBondContact O-N 3.34Å; Y259-L262 PolarHBondContact O-N 2.76Å; Y259-V263 WeakPolarHBondContact O-CG2 3.24Å; Y259-V263 PolarHBondContact O-N 2.91Å; Y259-W388 HydrophobicContact CD1-CH2 4.06Å; Y259-W388 AromaticContact CD1-CZ2 3.91Å; Y259-W388 HydrophobicContact CD1-CZ2 3.91Å; Y259-W388 AromaticContact CE1-CH2 3.88Å; Y259-W388 HydrophobicContact CE1-CH2 3.88Å; Y259-W388 AromaticContact CE1-CZ2 3.47Å; Y259-W388 HydrophobicContact CE1-CZ2 3.47Å; Y259-W388 VanDerWaalsContact CE1-CZ2 3.47Å
260P96.3Very high94.6Very high77 Ų7747.6 Ų47.650%0.523%0.234SC..Hα-helixtrans-61-39.2179.6-22.534.6000112.4M257 V263 L264M257-P260 WeakPolarHBondContact O-CD 3.24Å; P260-V263 PolarHBondContact O-N 2.88Å; P260-L264 WeakPolarHBondContact O-CB 3.31Å; P260-L264 VanDerWaalsContact O-CG 3.32Å; P260-L264 WeakPolarHBondContact O-CG 3.18Å; P260-L264 PolarHBondContact O-N 3.48Å
261F96.5Very high95Very high22 Ų2250 Ų5010%0.09625%0.246CC..Hα-helixtrans-73.5-34.5-179.5-61.2-81.1000112.2W196 L197 M201 M204 L209 M257 A258 Y259 L264 S265 L302W196-F261 AromaticContact CH2-CD2 3.65Å; W196-F261 HydrophobicContact CH2-CD2 3.65Å; W196-F261 AromaticContact CH2-CE2 3.79Å; W196-F261 HydrophobicContact CH2-CE2 3.79Å; W196-F261 AromaticContact CZ3-CD2 3.8Å; W196-F261 HydrophobicContact CZ3-CD2 3.8Å; W196-F261 AromaticContact CZ3-CE2 3.4Å; W196-F261 HydrophobicContact CZ3-CE2 3.4Å; W196-F261 VanDerWaalsContact CZ3-CE2 3.4Å; W196-F261 HydrophobicContact CZ3-CZ 4.17Å; L197-F261 HydrophobicContact CD2-CE2 4.01Å; L197-F261 HydrophobicContact CD2-CZ 3.7Å; M201-F261 HydrophobicContact SD-CE1 4.05Å; M201-F261 HydrophobicContact SD-CZ 4.19Å; M204-F261 HydrophobicContact CE-CB 4.15Å; M204-F261 HydrophobicContact CE-CD1 4.25Å; M204-F261 HydrophobicContact CE-CG 4.24Å; M204-F261 HydrophobicContact CG-CD1 4.49Å; L209-F261 HydrophobicContact CD1-CD1 4.47Å; L209-F261 HydrophobicContact CD2-CD1 3.54Å; L209-F261 HydrophobicContact CD2-CE1 3.99Å; M257-F261 WeakPolarHBondContact O-CD2 3.22Å; A258-F261 PolarHBondContact O-N 3.18Å; A258-F261 VanDerWaalsContact O-N 3.11Å; Y259-F261 VanDerWaalsContact C-N 3.28Å; Y259-F261 PolarHBondContact O-N 3.34Å; F261-L264 PolarHBondContact O-N 3.27Å; F261-S265 WeakPolarHBondContact O-CB 3.37Å; F261-S265 PolarHBondContact O-N 3.36Å; F261-S265 PolarHBondContact O-OG 3.23Å; F261-L302 HydrophobicContact CB-CD1 3.64Å
262L96.3Very high95.4Very high6 Ų647.3 Ų47.33%0.03123%0.231CC..Hα-helixtrans-62.1-46.3170.9-77.7168.3000111.1A258 Y259 S265 L266 T299 L302 I303 W388A258-L262 HydrophobicContact CB-CD1 3.98Å; A258-L262 HydrophobicContact CB-CG 4.37Å; A258-L262 WeakPolarHBondContact O-CG 3.42Å; A258-L262 PolarHBondContact O-N 3.47Å; Y259-L262 PolarHBondContact O-N 2.76Å; L262-S265 WeakPolarHBondContact CA-OG 3.35Å; L262-S265 PolarHBondContact O-N 3.12Å; L262-S265 PolarHBondContact O-OG 3.07Å; L262-L266 WeakPolarHBondContact O-CB 3.48Å; L262-L266 VanDerWaalsContact O-CG 3.3Å; L262-L266 WeakPolarHBondContact O-CG 3.32Å; L262-L266 PolarHBondContact O-N 3.04Å; L262-T299 HydrophobicContact CD2-CG2 4.35Å; L262-L302 HydrophobicContact CD2-CB 3.77Å; L262-L302 HydrophobicContact CD2-CD1 4.15Å; L262-L302 HydrophobicContact CG-CB 4.05Å; L262-L302 HydrophobicContact CG-CD1 4.02Å; L262-I303 HydrophobicContact CD2-CD1 4.48Å; L262-I303 HydrophobicContact CD2-CG1 4.09Å; L262-W388 HydrophobicContact CD1-CH2 4.13Å; L262-W388 HydrophobicContact CD1-CZ2 3.69Å
263V96.5Very high95.6Very high97 Ų9745 Ų4559%0.58822%0.216SC*.Hα-helixtrans-63.4-45.1177175.30000111Y259 P260 S265 L266 W267Y259-V263 WeakPolarHBondContact O-CG2 3.24Å; Y259-V263 PolarHBondContact O-N 2.91Å; P260-V263 PolarHBondContact O-N 2.88Å; V263-S265 VanDerWaalsContact C-N 3.31Å; V263-S265 PolarHBondContact O-N 2.74Å; V263-L266 PolarHBondContact O-N 2.97Å; V263-W267 VanDerWaalsContact O-CB 3.29Å; V263-W267 WeakPolarHBondContact O-CB 3.33Å; V263-W267 PolarHBondContact O-N 3.03Å
264L97.3Very high95.9Very high68 Ų6846.5 Ų46.536%0.35623%0.226SC..Hα-helixtrans-60.6-39177.5-77.6166.1000112.6L209 Y210 P260 F261 G268L209-L264 HydrophobicContact CD1-CB 4.29Å; L209-L264 HydrophobicContact CD2-CB 4.41Å; L209-L264 HydrophobicContact CD2-CD1 3.93Å; L209-L264 HydrophobicContact CG-CB 4.38Å; Y210-L264 WeakPolarHBondContact CB-O 3.48Å; Y210-L264 HydrophobicContact CD1-CD2 4.46Å; P260-L264 WeakPolarHBondContact O-CB 3.31Å; P260-L264 VanDerWaalsContact O-CG 3.32Å; P260-L264 WeakPolarHBondContact O-CG 3.18Å; P260-L264 PolarHBondContact O-N 3.48Å; F261-L264 PolarHBondContact O-N 3.27Å; L264-G268 WeakPolarHBondContact O-CA 3.42Å; L264-G268 PolarHBondContact O-N 2.67Å
265S96.8Very high96.1Very high1 Ų148.2 Ų48.21%0.00724%0.235CC..Hα-helixtrans-75.8-43.3179.149.20000112.7F261 L262 V263 G268 M269 T299F261-S265 WeakPolarHBondContact O-CB 3.37Å; F261-S265 PolarHBondContact O-N 3.36Å; F261-S265 PolarHBondContact O-OG 3.23Å; L262-S265 WeakPolarHBondContact CA-OG 3.35Å; L262-S265 PolarHBondContact O-N 3.12Å; L262-S265 PolarHBondContact O-OG 3.07Å; V263-S265 VanDerWaalsContact C-N 3.31Å; V263-S265 PolarHBondContact O-N 2.74Å; S265-G268 PolarHBondContact O-N 2.94Å; S265-M269 PolarHBondContact O-N 3.11Å; S265-T299 WeakPolarHBondContact OG-CG2 3.05Å
266L96.8Very high96.5Very high12 Ų1241.2 Ų41.26%0.06321%0.205CC..Hα-helixtrans-63.9-41.7175.7-71.8169.1000113L262 V263 M269 T299 T392 L395 T396L262-L266 WeakPolarHBondContact O-CB 3.48Å; L262-L266 VanDerWaalsContact O-CG 3.3Å; L262-L266 WeakPolarHBondContact O-CG 3.32Å; L262-L266 PolarHBondContact O-N 3.04Å; V263-L266 PolarHBondContact O-N 2.97Å; L266-M269 HydrophobicContact CD2-CE 3.88Å; L266-M269 HydrophobicContact CD2-SD 4.41Å; L266-M269 WeakPolarHBondContact O-CG 3.2Å; L266-T299 HydrophobicContact CD2-CG2 3.88Å; L266-T299 HydrophobicContact CG-CG2 3.84Å; L266-T392 HydrophobicContact CD1-CG2 3.93Å; L266-L395 HydrophobicContact CB-CD1 4.04Å; L266-L395 HydrophobicContact CD1-CD1 4.42Å; L266-T396 HydrophobicContact CD2-CG2 4.27Å
267W97.7Very high96.8Very high140 Ų14038 Ų3853%0.5319%0.192SC..Hα-helixtrans-72.6-41.3172.8-174.9-111.4000111.2V263 M269 I270 M271V263-W267 VanDerWaalsContact O-CB 3.29Å; V263-W267 WeakPolarHBondContact O-CB 3.33Å; V263-W267 PolarHBondContact O-N 3.03Å; W267-M269 PolarHBondContact O-N 2.63Å; W267-I270 PolarHBondContact O-N 3.48Å; W267-M271 HydrophobicContact CD2-CG 4.25Å; W267-M271 HydrophobicContact CG-CG 4.27Å; W267-M271 HydrophobicContact CH2-SD 4.47Å; W267-M271 HydrophobicContact CZ2-CG 4.2Å; W267-M271 HydrophobicContact CZ2-SD 3.66Å; W267-M271 VanDerWaalsContact NE1-CG 3.32Å; W267-M271 WeakPolarHBondContact O-CG 3.24Å; W267-M271 PolarHBondContact O-N 3.07Å
268G96.9Very high96.9Very high1 Ų146 Ų461%0.0122%0.22CC..Hα-helixtrans-58-42.3-178.800000113.8Y210 L264 S265 I270 M271 T272Y210-G268 VanDerWaalsContact CG-CA 3.45Å; L264-G268 WeakPolarHBondContact O-CA 3.42Å; L264-G268 PolarHBondContact O-N 2.67Å; S265-G268 PolarHBondContact O-N 2.94Å; G268-I270 VanDerWaalsContact C-N 3.31Å; G268-I270 PolarHBondContact O-N 3.05Å; G268-M271 PolarHBondContact O-N 3.44Å; G268-T272 WeakPolarHBondContact O-CG2 3.47Å; G268-T272 PolarHBondContact O-N 3.38Å; G268-T272 PolarHBondContact O-OG1 3.31Å
269M96.5Very high96.9Very high0 Ų047.7 Ų47.70%023%0.227CC..Hα-helixtrans-61.1-38.2178.563.1178.56800112.4S265 L266 W267 T272 S273 A295 L296 T299 T396 N399S265-M269 PolarHBondContact O-N 3.11Å; L266-M269 HydrophobicContact CD2-CE 3.88Å; L266-M269 HydrophobicContact CD2-SD 4.41Å; L266-M269 WeakPolarHBondContact O-CG 3.2Å; W267-M269 PolarHBondContact O-N 2.63Å; M269-T272 PolarHBondContact O-OG1 3.43Å; M269-S273 VanDerWaalsContact O-CB 3.25Å; M269-S273 WeakPolarHBondContact O-CB 3.5Å; M269-S273 PolarHBondContact O-N 2.97Å; M269-S273 VanDerWaalsContact O-N 3.12Å; M269-S273 PolarHBondContact O-OG 3.21Å; M269-A295 HydrophobicContact CB-CB 3.94Å; M269-L296 HydrophobicContact CE-CD2 3.61Å; M269-L296 HydrophobicContact CE-CG 3.94Å; M269-L296 HydrophobicContact SD-CD2 3.83Å; M269-L296 HydrophobicContact SD-CG 4.28Å; M269-T299 HydrophobicContact CE-CG2 3.88Å; M269-T396 HydrophobicContact SD-CG2 4.47Å; M269-N399 HydrophobicContact CG-CB 4.18Å; M269-N399 PolarHBondContact O-OD1 3.29Å; M269-N399 HydrophobicContact SD-CB 3.99Å
270I97.7Very high97Very high25 Ų2545.9 Ų45.913%0.12823%0.229CC..Hα-helixtrans-71.5-43.9176.8-59.7172.8000110W267 G268 S273 S274 L395 L398 N399W267-I270 PolarHBondContact O-N 3.48Å; G268-I270 VanDerWaalsContact C-N 3.31Å; G268-I270 PolarHBondContact O-N 3.05Å; I270-S273 WeakPolarHBondContact CA-OG 3.09Å; I270-S273 PolarHBondContact O-OG 3Å; I270-S274 WeakPolarHBondContact O-CB 3.44Å; I270-S274 PolarHBondContact O-N 2.95Å; I270-S274 PolarHBondContact O-OG 2.94Å; I270-L395 HydrophobicContact CD1-CB 4.07Å; I270-L395 HydrophobicContact CD1-CD2 3.55Å; I270-L395 HydrophobicContact CD1-CG 4.42Å; I270-L398 HydrophobicContact CD1-CB 4.49Å; I270-N399 HydrophobicContact CG1-CB 4.44Å
271M97.9Very high97Very high56 Ų5644.3 Ų44.328%0.27622%0.216SC..Hα-helixtrans-66.1-44.2-178.8-68-56.2-67.400111.8Y210 W267 G268 S274 I275Y210-M271 HydrophobicContact CE2-CB 3.81Å; W267-M271 HydrophobicContact CD2-CG 4.25Å; W267-M271 HydrophobicContact CG-CG 4.27Å; W267-M271 HydrophobicContact CH2-SD 4.47Å; W267-M271 HydrophobicContact CZ2-CG 4.2Å; W267-M271 HydrophobicContact CZ2-SD 3.66Å; W267-M271 VanDerWaalsContact NE1-CG 3.32Å; W267-M271 WeakPolarHBondContact O-CG 3.24Å; W267-M271 PolarHBondContact O-N 3.07Å; G268-M271 PolarHBondContact O-N 3.44Å; M271-S274 PolarHBondContact O-N 3.09Å; M271-S274 PolarHBondContact O-OG 3.41Å; M271-I275 VanDerWaalsContact O-CG1 3.27Å; M271-I275 WeakPolarHBondContact O-CG1 3.42Å; M271-I275 PolarHBondContact O-N 3.01Å
272T97.4Very high97Very high0 Ų043.6 Ų43.60%021%0.213CC..Hα-helixtrans-70.2-37.3179.855.90000112Y210 G268 M269 I275 C276 Y288 I291 S292Y210-T272 HydrophobicContact CD2-CG2 3.92Å; Y210-T272 HydrophobicContact CE2-CG2 4.17Å; G268-T272 WeakPolarHBondContact O-CG2 3.47Å; G268-T272 PolarHBondContact O-N 3.38Å; G268-T272 PolarHBondContact O-OG1 3.31Å; M269-T272 PolarHBondContact O-OG1 3.43Å; T272-I275 WeakPolarHBondContact O-CB 3.3Å; T272-I275 PolarHBondContact O-N 2.98Å; T272-C276 PolarHBondContact O-N 3.23Å; T272-C276 VanDerWaalsContact O-N 3.07Å; T272-C276 PolarHBondContact O-SG 3.4Å; T272-Y288 HydrophobicContact CG2-CD1 4.43Å; T272-I291 HydrophobicContact CG2-CB 4.2Å; T272-I291 HydrophobicContact CG2-CG2 3.69Å; T272-S292 WeakPolarHBondContact OG1-CA 3.15Å; T272-S292 WeakPolarHBondContact OG1-CB 3.43Å; T272-S292 PolarHBondContact OG1-N 3.42Å
273S96.9Very high97Very high0 Ų043.8 Ų43.80%021%0.213CC..Hα-helixtrans-65.4-37.3172.460.40000112.2M269 I270 I275 C276 N399 V402M269-S273 VanDerWaalsContact O-CB 3.25Å; M269-S273 WeakPolarHBondContact O-CB 3.5Å; M269-S273 PolarHBondContact O-N 2.97Å; M269-S273 VanDerWaalsContact O-N 3.12Å; M269-S273 PolarHBondContact O-OG 3.21Å; I270-S273 WeakPolarHBondContact CA-OG 3.09Å; I270-S273 PolarHBondContact O-OG 3Å; S273-I275 VanDerWaalsContact C-N 3.31Å; S273-I275 PolarHBondContact O-N 3.46Å; S273-C276 VanDerWaalsContact O-CB 3.29Å; S273-C276 WeakPolarHBondContact O-CB 3.37Å; S273-C276 PolarHBondContact O-N 3.24Å; S273-N399 PolarHBondContact OG-OD1 2.96Å; S273-V402 VanDerWaalsContact C-CG1 3.48Å; S273-V402 WeakPolarHBondContact OG-CG1 3.25Å
274S97.5Very high97Very high35 Ų3539.5 Ų39.525%0.24519%0.188CC..Hα-helixtrans-66.2-33.2172.880.10000112.7I270 M271 C276 L277I270-S274 WeakPolarHBondContact O-CB 3.44Å; I270-S274 PolarHBondContact O-N 2.95Å; I270-S274 PolarHBondContact O-OG 2.94Å; M271-S274 PolarHBondContact O-N 3.09Å; M271-S274 PolarHBondContact O-OG 3.41Å; S274-C276 VanDerWaalsContact C-N 3.33Å; S274-L277 PolarHBondContact O-N 3.37Å
275I97.9Very high97Very high40 Ų4036.3 Ų36.321%0.20517%0.171CC..Hα-helixtrans-63.5-42173.1-72165.2000109.6M271 T272 S273 L277 R278 Q279 Y288M271-I275 VanDerWaalsContact O-CG1 3.27Å; M271-I275 WeakPolarHBondContact O-CG1 3.42Å; M271-I275 PolarHBondContact O-N 3.01Å; T272-I275 WeakPolarHBondContact O-CB 3.3Å; T272-I275 PolarHBondContact O-N 2.98Å; S273-I275 VanDerWaalsContact C-N 3.31Å; S273-I275 PolarHBondContact O-N 3.46Å; I275-L277 PolarHBondContact O-N 3Å; I275-R278 PolarHBondContact O-N 3.39Å; I275-Q279 HydrophobicContact CG2-CG 4.21Å; I275-Q279 WeakPolarHBondContact O-CG 3.5Å; I275-Q279 PolarHBondContact O-N 2.74Å; I275-Y288 HydrophobicContact CB-CD1 4.47Å; I275-Y288 HydrophobicContact CD1-CE1 4.24Å; I275-Y288 HydrophobicContact CG2-CD1 3.93Å; I275-Y288 HydrophobicContact CG2-CD2 3.85Å; I275-Y288 HydrophobicContact CG2-CE1 4Å; I275-Y288 HydrophobicContact CG2-CE2 3.94Å; I275-Y288 HydrophobicContact CG2-CG 3.86Å
276C97.5Very high97Very high0 Ų036.2 Ų36.20%017%0.171CC..Hα-helixtrans-54.3-37178.1-64.50000113.3T272 S273 S274 R278 Q279 L285 Y288 S289 Y406T272-C276 PolarHBondContact O-N 3.23Å; T272-C276 VanDerWaalsContact O-N 3.07Å; T272-C276 PolarHBondContact O-SG 3.4Å; S273-C276 VanDerWaalsContact O-CB 3.29Å; S273-C276 WeakPolarHBondContact O-CB 3.37Å; S273-C276 PolarHBondContact O-N 3.24Å; S274-C276 VanDerWaalsContact C-N 3.33Å; C276-R278 PolarHBondContact O-N 3.47Å; C276-Q279 PolarHBondContact O-N 2.92Å; C276-L285 HydrophobicContact CB-CG 4.16Å; C276-L285 WeakPolarHBondContact O-CD1 3.35Å; C276-Y288 WeakPolarHBondContact SG-CB 3.11Å; C276-S289 PolarHBondContact SG-N 3.25Å; C276-S289 VanDerWaalsContact SG-N 3.41Å; C276-Y406 HydrophobicContact CB-CD1 3.69Å; C276-Y406 HydrophobicContact CB-CD2 4.17Å; C276-Y406 HydrophobicContact CB-CE1 4.36Å; C276-Y406 HydrophobicContact CB-CG 3.61Å
277L96.6Very high97Very high59 Ų5935.7 Ų35.731%0.30917%0.168SC..THydrogen-bonded Turntrans-62.4-24.7178.6-68.4173.3000113.6S274 I275 V402 L405 Y409S274-L277 PolarHBondContact O-N 3.37Å; I275-L277 PolarHBondContact O-N 3Å; L277-V402 HydrophobicContact CD1-CG1 4Å; L277-V402 HydrophobicContact CG-CG1 4.39Å; L277-L405 HydrophobicContact CD2-CB 3.83Å; L277-Y409 WeakPolarHBondContact O-CE1 3.39Å
278R96.8Very high97.1Very high205 Ų20530.8 Ų30.877%0.77415%0.15SC*.THydrogen-bonded Turntrans-108.75.2-177.3-62.6-167.9-67.9-171.2-1.7113.5I275 C276 T280I275-R278 PolarHBondContact O-N 3.39Å; C276-R278 PolarHBondContact O-N 3.47Å; R278-T280 PolarHBondContact O-N 3.39Å
279Q96.9Very high97.1Very high38 Ų3830.8 Ų30.818%0.17815%0.149CC..  trans-73.8127.6179.3-73.6-59.6-3000111.2I275 C276 S284 L285 Y288I275-Q279 HydrophobicContact CG2-CG 4.21Å; I275-Q279 WeakPolarHBondContact O-CG 3.5Å; I275-Q279 PolarHBondContact O-N 2.74Å; C276-Q279 PolarHBondContact O-N 2.92Å; Q279-S284 PolarHBondContact OE1-OG 3.17Å; Q279-L285 HydrophobicContact CB-CB 3.78Å; Q279-L285 HydrophobicContact CB-CD1 4.28Å; Q279-L285 HydrophobicContact CB-CG 4.21Å; Q279-L285 HydrophobicContact CG-CB 4.32Å; Q279-Y288 HydrophobicContact CG-CD2 4.11Å; Q279-Y288 VanDerWaalsContact NE2-CE2 3.29Å
280T96.3Very high97.1Very high82 Ų8230.8 Ų30.850%0.50315%0.149SC..SBendtrans-82.8-31.4171.655.20000111.9R278 M342R278-T280 PolarHBondContact O-N 3.39Å; T280-M342 WeakPolarHBondContact O-CB 3.06Å; T280-M342 PolarHBondContact O-N 2.7Å
281D96.2Very high97.1Very high43 Ų4329.7 Ų29.723%0.2314%0.144CC..BIsolated β-bridgetrans-90122.5-176.7-81.9-2000110.3K283 S284 L285D281-K283 PolarHBondContact O-N 3.15Å; D281-S284 VanDerWaalsContact CB-OG 3.23Å; D281-S284 WeakPolarHBondContact CB-OG 3.3Å; D281-S284 PolarHBondContact O-N 3.08Å; D281-S284 PolarHBondContact O-OG 3.24Å; D281-L285 PolarHBondContact O-N 3.31Å
282L95.9Very high97Very high7 Ų727 Ų274%0.03713%0.131CC..Hα-helixtrans-67.6-39.1-174.3-171.5151.9000111.9L285 I286 A330 R340 M342 W359 T414L282-L285 PolarHBondContact O-N 3.49Å; L282-I286 HydrophobicContact CD2-CD1 3.64Å; L282-I286 WeakPolarHBondContact O-CG1 3.33Å; L282-I286 PolarHBondContact O-N 3.43Å; L282-A330 HydrophobicContact CD2-CB 3.12Å; L282-R340 PolarHBondContact N-O 3.17Å; L282-M342 HydrophobicContact CB-CB 4.33Å; L282-M342 HydrophobicContact CD1-CG 4.24Å; L282-W359 HydrophobicContact CD1-CH2 3.81Å; L282-W359 HydrophobicContact CD1-CZ2 4.36Å; L282-W359 HydrophobicContact CD2-CH2 4.01Å; L282-W359 HydrophobicContact CG-CH2 4.4Å; L282-T414 HydrophobicContact CD1-CG2 3.47Å; L282-T414 VanDerWaalsContact CD1-CG2 3.47Å
283K96.4Very high97Very high10 Ų1027.1 Ų27.14%0.04313%0.131CC..Hα-helixtrans-67.6-34.9175.6-78.3-167.4179.1-175.70112.6V221 D281 A287 F327 A330V221-K283 HydrophobicContact CG2-CB 4.03Å; D281-K283 PolarHBondContact O-N 3.15Å; K283-A287 WeakPolarHBondContact O-CB 3.08Å; K283-A287 PolarHBondContact O-N 3.09Å; K283-F327 HydrophobicContact CB-CE1 4.38Å; K283-F327 HydrophobicContact CG-CD1 4.37Å; K283-F327 HydrophobicContact CG-CE1 4.48Å; K283-A330 HydrophobicContact CG-CB 4.14Å
284S96.4Very high97.1Very high8 Ų827.2 Ų27.26%0.05613%0.131CC..Hα-helixtrans-71.6-38.4177.771.30000110.4Q279 D281 I286 A287 Y288Q279-S284 PolarHBondContact OE1-OG 3.17Å; D281-S284 VanDerWaalsContact CB-OG 3.23Å; D281-S284 WeakPolarHBondContact CB-OG 3.3Å; D281-S284 PolarHBondContact O-N 3.08Å; D281-S284 PolarHBondContact O-OG 3.24Å; S284-I286 VanDerWaalsContact C-N 3.32Å; S284-I286 PolarHBondContact O-N 2.94Å; S284-A287 CarbonylContact O-C 3.37Å; S284-A287 WeakPolarHBondContact O-CA 3.39Å; S284-A287 WeakPolarHBondContact O-CB 3.43Å; S284-A287 PolarHBondContact O-N 3.41Å; S284-A287 VanDerWaalsContact O-N 3.09Å; S284-Y288 VanDerWaalsContact O-CD2 3.24Å; S284-Y288 WeakPolarHBondContact O-CD2 3.1Å; S284-Y288 PolarHBondContact O-N 3.29Å
285L97.8Very high97Very high0 Ų025.9 Ų25.90%012%0.123CC..Hα-helixtrans-55.1-48.3173-169.1159.1000110.7C276 Q279 D281 L282 A287 Y288 S289 M342 Y406 M410C276-L285 HydrophobicContact CB-CG 4.16Å; C276-L285 WeakPolarHBondContact O-CD1 3.35Å; Q279-L285 HydrophobicContact CB-CB 3.78Å; Q279-L285 HydrophobicContact CB-CD1 4.28Å; Q279-L285 HydrophobicContact CB-CG 4.21Å; Q279-L285 HydrophobicContact CG-CB 4.32Å; D281-L285 PolarHBondContact O-N 3.31Å; L282-L285 PolarHBondContact O-N 3.49Å; L285-A287 VanDerWaalsContact C-N 3.33Å; L285-A287 PolarHBondContact O-N 3.29Å; L285-Y288 PolarHBondContact O-N 3.45Å; L285-S289 PolarHBondContact O-N 2.85Å; L285-M342 HydrophobicContact CD1-CE 4.14Å; L285-M342 HydrophobicContact CD1-SD 4.08Å; L285-Y406 HydrophobicContact CD2-CD2 4.3Å; L285-M410 HydrophobicContact CD1-CB 4.47Å; L285-M410 HydrophobicContact CD2-CB 4.29Å; L285-M410 HydrophobicContact CD2-CE 3.37Å; L285-M410 HydrophobicContact CD2-CG 4.35Å
286I97.8Very high97Very high0 Ų024.3 Ų24.30%011%0.114CC..Hα-helixtrans-63.2-40.1176.8-58.9161.1000110.9L282 S284 S289 S290 L326 F327 A330 M410L282-I286 HydrophobicContact CD2-CD1 3.64Å; L282-I286 WeakPolarHBondContact O-CG1 3.33Å; L282-I286 PolarHBondContact O-N 3.43Å; S284-I286 VanDerWaalsContact C-N 3.32Å; S284-I286 PolarHBondContact O-N 2.94Å; I286-S289 WeakPolarHBondContact CA-OG 3.49Å; I286-S289 PolarHBondContact O-N 3.49Å; I286-S289 PolarHBondContact O-OG 2.88Å; I286-S290 PolarHBondContact O-N 3.42Å; I286-L326 HydrophobicContact CD1-CB 3.9Å; I286-L326 WeakPolarHBondContact CD1-O 3.47Å; I286-L326 HydrophobicContact CG1-CB 4.09Å; I286-L326 HydrophobicContact CG2-CB 3.96Å; I286-F327 HydrophobicContact CB-CD1 4.47Å; I286-F327 HydrophobicContact CB-CE1 4.01Å; I286-F327 HydrophobicContact CB-CE2 4.38Å; I286-F327 HydrophobicContact CB-CZ 3.95Å; I286-F327 HydrophobicContact CD1-CD1 4.38Å; I286-F327 HydrophobicContact CG2-CD1 4.24Å; I286-F327 HydrophobicContact CG2-CD2 3.82Å; I286-F327 HydrophobicContact CG2-CE1 3.96Å; I286-F327 HydrophobicContact CG2-CE2 3.49Å; I286-F327 VanDerWaalsContact CG2-CE2 3.49Å; I286-F327 HydrophobicContact CG2-CG 4.17Å; I286-F327 HydrophobicContact CG2-CZ 3.56Å; I286-A330 HydrophobicContact CD1-CB 3.84Å; I286-M410 HydrophobicContact CG1-CE 4.28Å
287A96.9Very high97Very high0 Ų024.3 Ų24.30%011%0.114CC..Hα-helixtrans-64.8-38.1176.700000113.6L216 H220 K283 S284 L285 S290 I291 F327L216-A287 HydrophobicContact CD2-CB 3.69Å; L216-A287 WeakPolarHBondContact CD2-O 3.28Å; H220-A287 HydrophobicContact CB-CB 3.96Å; K283-A287 WeakPolarHBondContact O-CB 3.08Å; K283-A287 PolarHBondContact O-N 3.09Å; S284-A287 CarbonylContact O-C 3.37Å; S284-A287 WeakPolarHBondContact O-CA 3.39Å; S284-A287 WeakPolarHBondContact O-CB 3.43Å; S284-A287 PolarHBondContact O-N 3.41Å; S284-A287 VanDerWaalsContact O-N 3.09Å; L285-A287 VanDerWaalsContact C-N 3.33Å; L285-A287 PolarHBondContact O-N 3.29Å; A287-S290 PolarHBondContact O-N 3.12Å; A287-S290 PolarHBondContact O-OG 3.28Å; A287-I291 WeakPolarHBondContact O-CG1 3.48Å; A287-I291 PolarHBondContact O-N 2.97Å; A287-F327 HydrophobicContact CB-CZ 4.41Å
288Y97.9Very high97Very high38 Ų3821.6 Ų21.615%0.14910%0.1CC..Hα-helixtrans-71-35.2173.6-79.8-72.9000112P217 T272 I275 C276 Q279 S284 L285 S290 I291 S292P217-Y288 HydrophobicContact CB-CE2 3.93Å; P217-Y288 HydrophobicContact CG-CD1 4.31Å; P217-Y288 HydrophobicContact CG-CD2 4.35Å; P217-Y288 HydrophobicContact CG-CE1 3.78Å; P217-Y288 HydrophobicContact CG-CE2 3.82Å; T272-Y288 HydrophobicContact CG2-CD1 4.43Å; I275-Y288 HydrophobicContact CB-CD1 4.47Å; I275-Y288 HydrophobicContact CD1-CE1 4.24Å; I275-Y288 HydrophobicContact CG2-CD1 3.93Å; I275-Y288 HydrophobicContact CG2-CD2 3.85Å; I275-Y288 HydrophobicContact CG2-CE1 4Å; I275-Y288 HydrophobicContact CG2-CE2 3.94Å; I275-Y288 HydrophobicContact CG2-CG 3.86Å; C276-Y288 WeakPolarHBondContact SG-CB 3.11Å; Q279-Y288 HydrophobicContact CG-CD2 4.11Å; Q279-Y288 VanDerWaalsContact NE2-CE2 3.29Å; S284-Y288 VanDerWaalsContact O-CD2 3.24Å; S284-Y288 WeakPolarHBondContact O-CD2 3.1Å; S284-Y288 PolarHBondContact O-N 3.29Å; L285-Y288 PolarHBondContact O-N 3.45Å; Y288-S290 VanDerWaalsContact C-N 3.27Å; Y288-S290 PolarHBondContact O-N 3.08Å; Y288-I291 HydrophobicContact CD1-CD1 3.94Å; Y288-I291 HydrophobicContact CE1-CD1 4.33Å; Y288-I291 WeakPolarHBondContact O-CB 3.26Å; Y288-I291 PolarHBondContact O-N 3.22Å; Y288-I291 VanDerWaalsContact O-N 3.14Å; Y288-S292 PolarHBondContact O-N 3.35Å
289S97.3Very high97Very high1 Ų111.8 Ų11.81%0.0076%0.064CC..Hα-helixtrans-64.4-30.9173.277.70000112.7C276 L285 I286 S292 H293C276-S289 PolarHBondContact SG-N 3.25Å; C276-S289 VanDerWaalsContact SG-N 3.41Å; L285-S289 PolarHBondContact O-N 2.85Å; I286-S289 WeakPolarHBondContact CA-OG 3.49Å; I286-S289 PolarHBondContact O-N 3.49Å; I286-S289 PolarHBondContact O-OG 2.88Å; S289-S292 WeakPolarHBondContact CA-OG 3.22Å; S289-S292 PolarHBondContact O-N 3.1Å; S289-S292 PolarHBondContact O-OG 3.19Å; S289-H293 PolarHBondContact O-CD2 3.34Å; S289-H293 PolarHBondContact O-N 3.46Å; S289-H293 VanDerWaalsContact O-N 3.09Å
290S96.6Very high97Very high0 Ų010 Ų100%06%0.055CC..Hα-helixtrans-71.7-31.7173.764.80000112.6I286 A287 Y288 M294 H319I286-S290 PolarHBondContact O-N 3.42Å; A287-S290 PolarHBondContact O-N 3.12Å; A287-S290 PolarHBondContact O-OG 3.28Å; Y288-S290 VanDerWaalsContact C-N 3.27Å; Y288-S290 PolarHBondContact O-N 3.08Å; S290-M294 WeakPolarHBondContact O-CB 3.24Å; S290-M294 WeakPolarHBondContact O-CG 3.35Å; S290-M294 PolarHBondContact O-N 3.4Å; S290-H319 VanDerWaalsContact CA-NE2 3.34Å; S290-H319 WeakPolarHBondContact CA-NE2 3.46Å; S290-H319 WeakPolarHBondContact CB-NE2 3.4Å
291I97.7Very high96.9Very high2 Ų26.3 Ų6.31%0.013%0.032CC..Hα-helixtrans-66.7-43.3172.5-59159.5000110.6P208 H213 L216 P217 T272 A287 Y288 M294 A295P208-I291 HydrophobicContact CB-CG1 4.3Å; P208-I291 HydrophobicContact CG-CB 4.41Å; P208-I291 HydrophobicContact CG-CG1 3.87Å; P208-I291 HydrophobicContact CG-CG2 4.3Å; H213-I291 HydrophobicContact CB-CD1 3.78Å; H213-I291 HydrophobicContact CB-CG1 4.15Å; H213-I291 HydrophobicContact CB-CG2 3.93Å; L216-I291 HydrophobicContact CB-CD1 4.39Å; L216-I291 HydrophobicContact CD1-CG1 3.95Å; L216-I291 HydrophobicContact CD2-CD1 4.25Å; L216-I291 HydrophobicContact CD2-CG1 4.16Å; L216-I291 HydrophobicContact CG-CG1 4.46Å; P217-I291 HydrophobicContact CG-CD1 4.05Å; T272-I291 HydrophobicContact CG2-CB 4.2Å; T272-I291 HydrophobicContact CG2-CG2 3.69Å; A287-I291 WeakPolarHBondContact O-CG1 3.48Å; A287-I291 PolarHBondContact O-N 2.97Å; Y288-I291 HydrophobicContact CD1-CD1 3.94Å; Y288-I291 HydrophobicContact CE1-CD1 4.33Å; Y288-I291 WeakPolarHBondContact O-CB 3.26Å; Y288-I291 PolarHBondContact O-N 3.22Å; Y288-I291 VanDerWaalsContact O-N 3.14Å; I291-M294 PolarHBondContact O-N 2.9Å; I291-A295 WeakPolarHBondContact O-CB 3.04Å; I291-A295 PolarHBondContact O-N 3.11Å
292S97.3Very high96.9Very high0 Ų04.9 Ų4.90%03%0.025CC..Hα-helixtrans-62.3-43.6177.559.70000112.2T272 Y288 S289 A295T272-S292 WeakPolarHBondContact OG1-CA 3.15Å; T272-S292 WeakPolarHBondContact OG1-CB 3.43Å; T272-S292 PolarHBondContact OG1-N 3.42Å; Y288-S292 PolarHBondContact O-N 3.35Å; S289-S292 WeakPolarHBondContact CA-OG 3.22Å; S289-S292 PolarHBondContact O-N 3.1Å; S289-S292 PolarHBondContact O-OG 3.19Å; S292-A295 WeakPolarHBondContact O-CB 3.45Å; S292-A295 PolarHBondContact O-N 3.3Å
293H97.3Very high96.8Very high1 Ų15.6 Ų5.61%0.0053%0.028CC..Hα-helixtrans-67.9-42.3177.9-75.7-55.2000113S289 A295 L296 V297 L315 H319 N366 E378 Y406S289-H293 PolarHBondContact O-CD2 3.34Å; S289-H293 PolarHBondContact O-N 3.46Å; S289-H293 VanDerWaalsContact O-N 3.09Å; H293-A295 VanDerWaalsContact C-N 3.28Å; H293-A295 PolarHBondContact O-N 2.75Å; H293-L296 WeakPolarHBondContact O-CB 3.37Å; H293-L296 PolarHBondContact O-N 2.89Å; H293-V297 PolarHBondContact O-N 3.07Å; H293-L315 VanDerWaalsContact O-CD2 3.3Å; H293-L315 WeakPolarHBondContact O-CD2 3.4Å; H293-H319 AromaticContact CD2-CE1 3.54Å; H293-H319 AromaticContact CD2-ND1 3.36Å; H293-H319 PolarHBondContact CD2-ND1 2.99Å; H293-H319 AromaticContact CG-CE1 3.94Å; H293-H319 AromaticContact CG-ND1 3.58Å; H293-N366 PolarHBondContact NE2-O 2.87Å; H293-N366 PolarHBondContact NE2-OD1 3.42Å; H293-E378 IonicContact CE1-OE1 3.54Å; H293-E378 PolarHBondContact CE1-OE1 3.28Å; H293-E378 IonicContact ND1-OE1 2.73Å; H293-E378 PolarHBondContact ND1-OE1 3.39Å; H293-Y406 PolarHBondContact NE2-OH 2.91Å
294M97.1Very high96.6Very high2 Ų27.9 Ų7.91%0.014%0.039CC..Hα-helixtrans-70.2-24.2176.4-62.9-60.185.600112.6L236 K237 S290 I291 L296 V297 V298 H319L236-M294 HydrophobicContact CB-CG 4.29Å; L236-M294 HydrophobicContact CB-SD 4.24Å; L236-M294 HydrophobicContact CD1-CG 4.12Å; K237-M294 HydrophobicContact CD-SD 4.23Å; S290-M294 WeakPolarHBondContact O-CB 3.24Å; S290-M294 WeakPolarHBondContact O-CG 3.35Å; S290-M294 PolarHBondContact O-N 3.4Å; I291-M294 PolarHBondContact O-N 2.9Å; M294-L296 VanDerWaalsContact C-N 3.31Å; M294-L296 PolarHBondContact O-N 3.39Å; M294-V297 HydrophobicContact CE-CG2 3.71Å; M294-V297 WeakPolarHBondContact O-CB 3.34Å; M294-V297 PolarHBondContact O-N 3.31Å; M294-V297 VanDerWaalsContact O-N 3.16Å; M294-V297 HydrophobicContact SD-CG2 4.26Å; M294-V298 WeakPolarHBondContact O-CG2 3.49Å; M294-V298 PolarHBondContact O-N 3.36Å; M294-H319 HydrophobicContact CE-CB 3.82Å; M294-H319 WeakPolarHBondContact CE-CD2 3.27Å
295A97.4Very high96.5Very high7 Ų79.4 Ų9.46%0.0585%0.048CC..Hα-helixtrans-63.3-36.4172.200000112.1M269 I291 S292 H293 V298 T299M269-A295 HydrophobicContact CB-CB 3.94Å; I291-A295 WeakPolarHBondContact O-CB 3.04Å; I291-A295 PolarHBondContact O-N 3.11Å; S292-A295 WeakPolarHBondContact O-CB 3.45Å; S292-A295 PolarHBondContact O-N 3.3Å; H293-A295 VanDerWaalsContact C-N 3.28Å; H293-A295 PolarHBondContact O-N 2.75Å; A295-V298 PolarHBondContact O-N 3.36Å; A295-T299 WeakPolarHBondContact O-CG2 3.2Å; A295-T299 PolarHBondContact O-N 3.23Å
296L96.9Very high96.2Very high7 Ų713.8 Ų13.84%0.0378%0.077CC..Hα-helixtrans-61.2-43.4170.5-72.8163.3000111.3M269 H293 M294 V298 T299 A300 L315 E378 V381 T396M269-L296 HydrophobicContact CE-CD2 3.61Å; M269-L296 HydrophobicContact CE-CG 3.94Å; M269-L296 HydrophobicContact SD-CD2 3.83Å; M269-L296 HydrophobicContact SD-CG 4.28Å; H293-L296 WeakPolarHBondContact O-CB 3.37Å; H293-L296 PolarHBondContact O-N 2.89Å; M294-L296 VanDerWaalsContact C-N 3.31Å; M294-L296 PolarHBondContact O-N 3.39Å; L296-V298 VanDerWaalsContact C-N 3.34Å; L296-V298 PolarHBondContact O-N 3.03Å; L296-T299 WeakPolarHBondContact CA-OG1 3.2Å; L296-T299 PolarHBondContact O-N 3.08Å; L296-T299 PolarHBondContact O-OG1 2.89Å; L296-A300 WeakPolarHBondContact O-CB 3.34Å; L296-A300 PolarHBondContact O-N 3.35Å; L296-L315 HydrophobicContact CB-CD2 3.92Å; L296-E378 HydrophobicContact CD1-CG 4.36Å; L296-V381 HydrophobicContact CB-CG1 4.31Å; L296-V381 HydrophobicContact CD2-CG1 4.05Å; L296-T396 HydrophobicContact CD2-CG2 4.42Å
297V97.6Very high96Very high0 Ų021.5 Ų21.50%011%0.106CC..Hα-helixtrans-59.1-45175-175.60000111.2M207 H293 M294 T299 A300 I301 A312 L315 M316M207-V297 HydrophobicContact SD-CB 4.36Å; M207-V297 HydrophobicContact SD-CG1 3.86Å; H293-V297 PolarHBondContact O-N 3.07Å; M294-V297 HydrophobicContact CE-CG2 3.71Å; M294-V297 WeakPolarHBondContact O-CB 3.34Å; M294-V297 PolarHBondContact O-N 3.31Å; M294-V297 VanDerWaalsContact O-N 3.16Å; M294-V297 HydrophobicContact SD-CG2 4.26Å; V297-T299 PolarHBondContact O-N 3.22Å; V297-A300 PolarHBondContact O-N 2.94Å; V297-I301 HydrophobicContact CG1-CD1 3.65Å; V297-I301 HydrophobicContact CG1-CG1 4.31Å; V297-I301 VanDerWaalsContact O-CG1 3.3Å; V297-I301 WeakPolarHBondContact O-CG1 3.43Å; V297-I301 PolarHBondContact O-N 3.03Å; V297-A312 HydrophobicContact CG1-CB 4.08Å; V297-L315 HydrophobicContact CG2-CB 4.34Å; V297-L315 HydrophobicContact CG2-CD2 3.52Å; V297-L315 HydrophobicContact CG2-CG 4.37Å; V297-M316 HydrophobicContact CG1-CG 3.74Å; V297-M316 HydrophobicContact CG1-SD 3.99Å; V297-M316 HydrophobicContact CG2-CG 4.01Å
298V97Very high95.9Very high2 Ų221.5 Ų21.51%0.01211%0.106CC..Hα-helixtrans-59.5-46.3176.8173.50000110.7M204 M207 L209 M294 A295 L296 A300 I301 L302M204-V298 HydrophobicContact CE-CG1 4.05Å; M204-V298 HydrophobicContact SD-CG1 3.85Å; M207-V298 HydrophobicContact CB-CG2 3.93Å; M207-V298 HydrophobicContact CE-CG2 3.88Å; M207-V298 HydrophobicContact SD-CG2 3.97Å; L209-V298 HydrophobicContact CD1-CG1 4.13Å; M294-V298 WeakPolarHBondContact O-CG2 3.49Å; M294-V298 PolarHBondContact O-N 3.36Å; A295-V298 PolarHBondContact O-N 3.36Å; L296-V298 VanDerWaalsContact C-N 3.34Å; L296-V298 PolarHBondContact O-N 3.03Å; V298-A300 VanDerWaalsContact C-N 3.32Å; V298-A300 PolarHBondContact O-N 3.1Å; V298-I301 PolarHBondContact O-N 2.9Å; V298-L302 HydrophobicContact CG1-CD1 3.87Å; V298-L302 HydrophobicContact CG1-CG 4.42Å; V298-L302 WeakPolarHBondContact O-CB 3.48Å; V298-L302 WeakPolarHBondContact O-CG 3.28Å; V298-L302 PolarHBondContact O-N 2.65Å
299T96.6Very high95.7Very high0 Ų021.3 Ų21.30%011%0.11CC..Hα-helixtrans-59.4-44.5177.358.60000112.1L262 S265 L266 M269 A295 L296 V297 L302 I303L262-T299 HydrophobicContact CD2-CG2 4.35Å; S265-T299 WeakPolarHBondContact OG-CG2 3.05Å; L266-T299 HydrophobicContact CD2-CG2 3.88Å; L266-T299 HydrophobicContact CG-CG2 3.84Å; M269-T299 HydrophobicContact CE-CG2 3.88Å; A295-T299 WeakPolarHBondContact O-CG2 3.2Å; A295-T299 PolarHBondContact O-N 3.23Å; L296-T299 WeakPolarHBondContact CA-OG1 3.2Å; L296-T299 PolarHBondContact O-N 3.08Å; L296-T299 PolarHBondContact O-OG1 2.89Å; V297-T299 PolarHBondContact O-N 3.22Å; T299-L302 PolarHBondContact O-N 3.44Å; T299-I303 WeakPolarHBondContact O-CG1 3.41Å; T299-I303 PolarHBondContact O-N 3.1Å; T299-I303 VanDerWaalsContact O-N 3.1Å
300A96.1Very high95.5Very high0 Ų021.8 Ų21.80%011%0.113CC..Hα-helixtrans-67-39.8-176.800000112.6L296 V297 V298 Q304 S308 A312 V381L296-A300 WeakPolarHBondContact O-CB 3.34Å; L296-A300 PolarHBondContact O-N 3.35Å; V297-A300 PolarHBondContact O-N 2.94Å; V298-A300 VanDerWaalsContact C-N 3.32Å; V298-A300 PolarHBondContact O-N 3.1Å; A300-Q304 PolarHBondContact O-N 3.09Å; A300-S308 WeakPolarHBondContact CB-O 3.14Å; A300-S308 VanDerWaalsContact O-CB 3.22Å; A300-S308 WeakPolarHBondContact O-CB 3.45Å; A300-S308 PolarHBondContact O-OG 3.04Å; A300-A312 HydrophobicContact CB-CB 3.93Å; A300-V381 HydrophobicContact CB-CB 4.4Å; A300-V381 HydrophobicContact CB-CG1 3.98Å; A300-V381 HydrophobicContact CB-CG2 3.63Å
301I95.7Very high95.4Very high5 Ų521.8 Ų21.83%0.02611%0.113CC..Hα-helixtrans-68.8-38.1176.4-66.1169.1000111.2M207 M243 M244 T247 V297 V298 Q304 A312M207-I301 HydrophobicContact CE-CD1 3.94Å; M207-I301 HydrophobicContact SD-CD1 4.22Å; M243-I301 HydrophobicContact CB-CD1 4.49Å; M243-I301 HydrophobicContact CB-CG2 3.73Å; M243-I301 HydrophobicContact CE-CG2 4.16Å; M244-I301 HydrophobicContact CE-CD1 3.93Å; M244-I301 HydrophobicContact CE-CG1 3.6Å; M244-I301 HydrophobicContact CG-CD1 4.09Å; M244-I301 HydrophobicContact CG-CG1 4.01Å; M244-I301 HydrophobicContact CG-CG2 4.31Å; T247-I301 HydrophobicContact CG2-CG2 4.37Å; V297-I301 HydrophobicContact CG1-CD1 3.65Å; V297-I301 HydrophobicContact CG1-CG1 4.31Å; V297-I301 VanDerWaalsContact O-CG1 3.3Å; V297-I301 WeakPolarHBondContact O-CG1 3.43Å; V297-I301 PolarHBondContact O-N 3.03Å; V298-I301 PolarHBondContact O-N 2.9Å; I301-Q304 WeakPolarHBondContact O-CG 3.49Å; I301-Q304 PolarHBondContact O-N 3.33Å; I301-A312 HydrophobicContact CG1-CB 4.08Å
302L95.4Very high95.4Very high13 Ų1321.7 Ų21.77%0.06811%0.113CC..Hα-helixtrans-70.8-29.7179.6-74.3176.3000113.4W196 M204 M243 A258 F261 L262 V298 T299W196-L302 HydrophobicContact CZ2-CD2 4.34Å; M204-L302 HydrophobicContact CE-CD1 3.97Å; M204-L302 HydrophobicContact CE-CD2 3.93Å; M204-L302 HydrophobicContact CE-CG 4.22Å; M243-L302 HydrophobicContact CE-CD2 3.75Å; M243-L302 HydrophobicContact CE-CG 4.27Å; A258-L302 HydrophobicContact CB-CB 4.2Å; A258-L302 HydrophobicContact CB-CD2 4.06Å; F261-L302 HydrophobicContact CB-CD1 3.64Å; L262-L302 HydrophobicContact CD2-CB 3.77Å; L262-L302 HydrophobicContact CD2-CD1 4.15Å; L262-L302 HydrophobicContact CG-CB 4.05Å; L262-L302 HydrophobicContact CG-CD1 4.02Å; V298-L302 HydrophobicContact CG1-CD1 3.87Å; V298-L302 HydrophobicContact CG1-CG 4.42Å; V298-L302 WeakPolarHBondContact O-CB 3.48Å; V298-L302 WeakPolarHBondContact O-CG 3.28Å; V298-L302 PolarHBondContact O-N 2.65Å; T299-L302 PolarHBondContact O-N 3.44Å
303I94.4Very high95.3Very high22 Ų2221.9 Ų21.911%0.11311%0.114CC..Hα-helixtrans-73.7-26.7176.2-69.7166.5000112.2L262 T299 T305 T385 W388L262-I303 HydrophobicContact CD2-CD1 4.48Å; L262-I303 HydrophobicContact CD2-CG1 4.09Å; T299-I303 WeakPolarHBondContact O-CG1 3.41Å; T299-I303 PolarHBondContact O-N 3.1Å; T299-I303 VanDerWaalsContact O-N 3.1Å; I303-T305 VanDerWaalsContact C-N 3.32Å; I303-T305 HydrophobicContact CG2-CG2 3.82Å; I303-T305 PolarHBondContact O-N 3.47Å; I303-T385 HydrophobicContact CD1-CG2 3.55Å; I303-W388 HydrophobicContact CD1-CB 4.01Å; I303-W388 HydrophobicContact CD1-CG 4.11Å; I303-W388 HydrophobicContact CG1-CB 4.29Å; I303-W388 HydrophobicContact CG1-CD2 4.43Å; I303-W388 HydrophobicContact CG1-CG 3.98Å; I303-W388 HydrophobicContact CG2-CB 4.14Å; I303-W388 HydrophobicContact CG2-CG 4.31Å
304Q92.4Very high95.2Very high57 Ų5722.4 Ų22.427%0.26612%0.116SC..  trans56.233.3172.7-57.6-178.3-15.400116.1T247 N251 T254 A300 I301T247-Q304 HydrophobicContact CG2-CG 4.26Å; T247-Q304 VanDerWaalsContact CG2-NE2 3.35Å; N251-Q304 PolarHBondContact ND2-OE1 2.67Å; N251-Q304 PolarHBondContact OD1-NE2 3.48Å; N251-Q304 VanDerWaalsContact OD1-NE2 3.16Å; N251-Q304 PolarHBondContact OD1-OE1 3.25Å; T254-Q304 PolarHBondContact OG1-OE1 2.94Å; A300-Q304 PolarHBondContact O-N 3.09Å; I301-Q304 WeakPolarHBondContact O-CG 3.49Å; I301-Q304 PolarHBondContact O-N 3.33Å
305T92.8Very high95.2Very high41 Ų4122.3 Ų22.325%0.25212%0.116SC..  trans-89.1153.8169.162.50000110.6I303 W307 S308 S309 T384I303-T305 VanDerWaalsContact C-N 3.32Å; I303-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 3.07Å; T305-S308 PolarHBondContact N-OG 2.9Å; T305-S308 PolarHBondContact O-N 3.49Å; T305-S308 PolarHBondContact O-OG 3.12Å; T305-S308 WeakPolarHBondContact OG1-CB 3.08Å; T305-S308 PolarHBondContact OG1-N 3.1Å; T305-S308 VanDerWaalsContact OG1-N 3.17Å; T305-S308 PolarHBondContact OG1-OG 3.05Å; T305-S309 PolarHBondContact O-N 3.18Å; T305-T384 WeakPolarHBondContact OG1-CG2 3.16Å
306P92Very high95.2Very high92 Ų9222 Ų2260%0.59711%0.113SC*.Hα-helixtrans-55.6-43.6176.5-26.634.6000112.9S308 S309 T310P306-S308 VanDerWaalsContact C-N 3.29Å; P306-S308 PolarHBondContact O-N 3.21Å; P306-S309 PolarHBondContact O-N 3.21Å; P306-S309 PolarHBondContact O-OG 3.13Å; P306-T310 WeakPolarHBondContact O-CG2 3.45Å; P306-T310 PolarHBondContact O-N 3.05Å; P306-T310 VanDerWaalsContact O-N 3.12Å; P306-T310 PolarHBondContact O-OG1 3.18Å
307W93.1Very high95.2Very high161 Ų16121.9 Ų21.961%0.6111%0.112SC*.Hα-helixtrans-67.5-28.3176.6-83.264.4000113.1T305 T310 G311 T384T305-W307 VanDerWaalsContact C-N 3.3Å; T305-W307 PolarHBondContact O-N 3.07Å; W307-T310 WeakPolarHBondContact CA-OG1 3.29Å; W307-T310 PolarHBondContact O-OG1 3.15Å; W307-G311 PolarHBondContact O-N 2.83Å; W307-T384 HydrophobicContact CB-CG2 3.3Å
308S94.9Very high95.2Very high0 Ų021.9 Ų21.90%011%0.112CC..Hα-helixtrans-78.6-36.5179.371.30000110.9A300 T305 P306 A312 T384A300-S308 WeakPolarHBondContact CB-O 3.14Å; A300-S308 VanDerWaalsContact O-CB 3.22Å; A300-S308 WeakPolarHBondContact O-CB 3.45Å; A300-S308 PolarHBondContact O-OG 3.04Å; T305-S308 PolarHBondContact N-OG 2.9Å; T305-S308 PolarHBondContact O-N 3.49Å; T305-S308 PolarHBondContact O-OG 3.12Å; T305-S308 WeakPolarHBondContact OG1-CB 3.08Å; T305-S308 PolarHBondContact OG1-N 3.1Å; T305-S308 VanDerWaalsContact OG1-N 3.17Å; T305-S308 PolarHBondContact OG1-OG 3.05Å; P306-S308 VanDerWaalsContact C-N 3.29Å; P306-S308 PolarHBondContact O-N 3.21Å; S308-A312 WeakPolarHBondContact O-CB 3.47Å; S308-A312 PolarHBondContact O-N 2.87Å; S308-T384 WeakPolarHBondContact CB-OG1 3.14Å
309S93.2Very high95.2Very high35 Ų3521.8 Ų21.825%0.24511%0.112CC..Hα-helixtrans-66.1-39.8174.166.10000111.5T305 P306 A312 V313T305-S309 PolarHBondContact O-N 3.18Å; P306-S309 PolarHBondContact O-N 3.21Å; P306-S309 PolarHBondContact O-OG 3.13Å; S309-A312 WeakPolarHBondContact O-CB 3.42Å; S309-A312 PolarHBondContact O-N 3.19Å; S309-V313 WeakPolarHBondContact O-CG2 3.49Å; S309-V313 PolarHBondContact O-N 3.44Å
310T93.7Very high95.2Very high11 Ų1121.8 Ų21.87%0.06711%0.112CC..Hα-helixtrans-67.6-46178.565.20000110.9P306 W307 A312 V313 I314 T455 S458P306-T310 WeakPolarHBondContact O-CG2 3.45Å; P306-T310 PolarHBondContact O-N 3.05Å; P306-T310 VanDerWaalsContact O-N 3.12Å; P306-T310 PolarHBondContact O-OG1 3.18Å; W307-T310 WeakPolarHBondContact CA-OG1 3.29Å; W307-T310 PolarHBondContact O-OG1 3.15Å; T310-A312 VanDerWaalsContact C-N 3.31Å; T310-A312 PolarHBondContact O-N 3.27Å; T310-V313 PolarHBondContact O-N 3.42Å; T310-I314 VanDerWaalsContact O-CG1 3.31Å; T310-I314 WeakPolarHBondContact O-CG1 3.39Å; T310-I314 PolarHBondContact O-N 3.16Å; T310-T455 WeakPolarHBondContact CA-O 3.23Å; T310-T455 VanDerWaalsContact CB-O 3.24Å; T310-T455 WeakPolarHBondContact CB-O 3.32Å; T310-T455 WeakPolarHBondContact CG2-O 3.38Å; T310-S458 WeakPolarHBondContact CG2-OG 3.49Å
311G95.3Very high95.2Very high0 Ų022 Ų220%011%0.113CC..Hα-helixtrans-58.3-41.5173.300000113.5W307 I314 L315 S380W307-G311 PolarHBondContact O-N 2.83Å; G311-I314 PolarHBondContact O-N 2.93Å; G311-L315 VanDerWaalsContact O-CB 3.24Å; G311-L315 WeakPolarHBondContact O-CB 3.28Å; G311-L315 PolarHBondContact O-N 3.09Å; G311-S380 WeakPolarHBondContact CA-OG 3.48Å
312A96.2Very high95.3Very high0 Ų021.8 Ų21.80%011%0.112CC..Hα-helixtrans-61.9-43.3175.100000112.5M244 V297 A300 I301 S308 S309 T310 M316M244-A312 HydrophobicContact CE-CB 3.38Å; V297-A312 HydrophobicContact CG1-CB 4.08Å; A300-A312 HydrophobicContact CB-CB 3.93Å; I301-A312 HydrophobicContact CG1-CB 4.08Å; S308-A312 WeakPolarHBondContact O-CB 3.47Å; S308-A312 PolarHBondContact O-N 2.87Å; S309-A312 WeakPolarHBondContact O-CB 3.42Å; S309-A312 PolarHBondContact O-N 3.19Å; T310-A312 VanDerWaalsContact C-N 3.31Å; T310-A312 PolarHBondContact O-N 3.27Å; A312-M316 WeakPolarHBondContact O-CB 3.4Å; A312-M316 VanDerWaalsContact O-CG 3.23Å; A312-M316 WeakPolarHBondContact O-CG 3.4Å; A312-M316 PolarHBondContact O-N 2.91Å
313V95.6Very high95.4Very high4 Ų421.1 Ų21.12%0.02411%0.109CC..Hα-helixtrans-65.1-48.7177.31770000111.3L61 M244 S309 T310 L315 M316 I317 I454L61-V313 HydrophobicContact CD1-CG2 3.34Å; M244-V313 HydrophobicContact CE-CG2 3.84Å; M244-V313 HydrophobicContact SD-CG2 3.94Å; S309-V313 WeakPolarHBondContact O-CG2 3.49Å; S309-V313 PolarHBondContact O-N 3.44Å; T310-V313 PolarHBondContact O-N 3.42Å; V313-L315 VanDerWaalsContact C-N 3.34Å; V313-L315 PolarHBondContact O-N 3.37Å; V313-M316 HydrophobicContact CG2-CE 4.13Å; V313-M316 WeakPolarHBondContact O-CB 3.13Å; V313-M316 PolarHBondContact O-N 3.19Å; V313-I317 HydrophobicContact CG1-CD1 3.8Å; V313-I317 WeakPolarHBondContact O-CD1 3.48Å; V313-I317 WeakPolarHBondContact O-CG1 3.09Å; V313-I317 PolarHBondContact O-N 3.11Å; V313-I317 VanDerWaalsContact O-N 3.13Å; V313-I454 WeakPolarHBondContact CG1-O 3.44Å
314I96Very high95.6Very high11 Ų1120.1 Ų20.16%0.05610%0.103CC..Hα-helixtrans-57.3-50.4177.9-65.1168.3000109.5T310 G311 M316 I317 A318 I373 L376 I454 T455T310-I314 VanDerWaalsContact O-CG1 3.31Å; T310-I314 WeakPolarHBondContact O-CG1 3.39Å; T310-I314 PolarHBondContact O-N 3.16Å; G311-I314 PolarHBondContact O-N 2.93Å; I314-M316 VanDerWaalsContact C-N 3.33Å; I314-M316 PolarHBondContact O-N 3.41Å; I314-I317 PolarHBondContact O-N 3.37Å; I314-A318 WeakPolarHBondContact O-CB 3.38Å; I314-A318 PolarHBondContact O-N 3Å; I314-I373 HydrophobicContact CG2-CB 4.43Å; I314-I373 VanDerWaalsContact CG2-O 3.26Å; I314-I373 WeakPolarHBondContact CG2-O 3.3Å; I314-L376 HydrophobicContact CG2-CB 4.18Å; I314-I454 HydrophobicContact CG1-CD1 4.29Å; I314-I454 HydrophobicContact CG1-CG1 4.18Å; I314-I454 WeakPolarHBondContact CG1-O 3.37Å; I314-I454 HydrophobicContact CG2-CD1 4.06Å; I314-T455 HydrophobicContact CD1-CG2 4.3Å
315L96.8Very high95.8Very high0 Ų017.4 Ų17.40%09%0.091CC..Hα-helixtrans-61.8-39.6179.5-162.587.7000112.1H293 L296 V297 G311 V313 I317 H319 E378H293-L315 VanDerWaalsContact O-CD2 3.3Å; H293-L315 WeakPolarHBondContact O-CD2 3.4Å; L296-L315 HydrophobicContact CB-CD2 3.92Å; V297-L315 HydrophobicContact CG2-CB 4.34Å; V297-L315 HydrophobicContact CG2-CD2 3.52Å; V297-L315 HydrophobicContact CG2-CG 4.37Å; G311-L315 VanDerWaalsContact O-CB 3.24Å; G311-L315 WeakPolarHBondContact O-CB 3.28Å; G311-L315 PolarHBondContact O-N 3.09Å; V313-L315 VanDerWaalsContact C-N 3.34Å; V313-L315 PolarHBondContact O-N 3.37Å; L315-I317 VanDerWaalsContact C-N 3.35Å; L315-I317 PolarHBondContact O-N 3.04Å; L315-H319 WeakPolarHBondContact O-CA 3.28Å; L315-H319 WeakPolarHBondContact O-CB 3.5Å; L315-H319 PolarHBondContact O-N 3.49Å; L315-E378 HydrophobicContact CD1-CB 4.29Å; L315-E378 HydrophobicContact CD1-CG 3.27Å
316M97.3Very high96.1Very high0 Ų015.4 Ų15.40%08%0.079CC..Hα-helixtrans-58.3-45.9176.7-84.7-169.2-65.400111.7K237 M244 V297 A312 V313 I314 G320K237-M316 HydrophobicContact CB-SD 4.16Å; K237-M316 WeakPolarHBondContact CE-O 3.28Å; K237-M316 HydrophobicContact CG-CB 3.74Å; K237-M316 HydrophobicContact CG-CG 3.89Å; K237-M316 HydrophobicContact CG-SD 4.04Å; M244-M316 HydrophobicContact CE-CE 3.86Å; M244-M316 HydrophobicContact SD-CE 4.18Å; V297-M316 HydrophobicContact CG1-CG 3.74Å; V297-M316 HydrophobicContact CG1-SD 3.99Å; V297-M316 HydrophobicContact CG2-CG 4.01Å; A312-M316 WeakPolarHBondContact O-CB 3.4Å; A312-M316 VanDerWaalsContact O-CG 3.23Å; A312-M316 WeakPolarHBondContact O-CG 3.4Å; A312-M316 PolarHBondContact O-N 2.91Å; V313-M316 HydrophobicContact CG2-CE 4.13Å; V313-M316 WeakPolarHBondContact O-CB 3.13Å; V313-M316 PolarHBondContact O-N 3.19Å; I314-M316 VanDerWaalsContact C-N 3.33Å; I314-M316 PolarHBondContact O-N 3.41Å; M316-G320 PolarHBondContact O-N 3.43Å
317I97.4Very high96.4Very high5 Ų511 Ų113%0.0265%0.05CC..Hα-helixtrans-70.9-48.6-179.3-61.3151.1000110.3P64 V313 I314 L315 G320 L321 L447 I454P64-I317 HydrophobicContact CB-CD1 3.24Å; P64-I317 HydrophobicContact CB-CG1 3.93Å; P64-I317 HydrophobicContact CG-CD1 4.04Å; V313-I317 HydrophobicContact CG1-CD1 3.8Å; V313-I317 WeakPolarHBondContact O-CD1 3.48Å; V313-I317 WeakPolarHBondContact O-CG1 3.09Å; V313-I317 PolarHBondContact O-N 3.11Å; V313-I317 VanDerWaalsContact O-N 3.13Å; I314-I317 PolarHBondContact O-N 3.37Å; L315-I317 VanDerWaalsContact C-N 3.35Å; L315-I317 PolarHBondContact O-N 3.04Å; I317-G320 WeakPolarHBondContact O-CA 3.35Å; I317-G320 PolarHBondContact O-N 2.97Å; I317-L321 HydrophobicContact CG2-CD1 4.45Å; I317-L321 PolarHBondContact O-N 3.41Å; I317-L447 HydrophobicContact CG2-CD1 4.27Å; I317-I454 HydrophobicContact CD1-CB 3.59Å; I317-I454 HydrophobicContact CD1-CG2 3.7Å
318A96.6Very high96.6Very high0 Ų03.6 Ų3.60%02%0.023CC..Hα-helixtrans-62.5-47.7-176.400000111I314 G320 L321 T322 I373 N374I314-A318 WeakPolarHBondContact O-CB 3.38Å; I314-A318 PolarHBondContact O-N 3Å; A318-G320 VanDerWaalsContact C-N 3.3Å; A318-G320 PolarHBondContact O-N 3.38Å; A318-L321 PolarHBondContact O-N 3.41Å; A318-T322 WeakPolarHBondContact O-CG2 3.48Å; A318-T322 PolarHBondContact O-N 3.05Å; A318-T322 PolarHBondContact O-OG1 3.17Å; A318-I373 HydrophobicContact CB-CB 4.05Å; A318-I373 HydrophobicContact CB-CD1 3.56Å; A318-I373 HydrophobicContact CB-CG1 3.65Å; A318-N374 WeakPolarHBondContact CA-OD1 3.18Å; A318-N374 HydrophobicContact CB-CB 4.5Å; A318-N374 WeakPolarHBondContact CB-OD1 3.3Å; A318-N374 PolarHBondContact O-OD1 3.38Å
319H97.1Very high96.7Very high1 Ų13.6 Ų3.61%0.0052%0.023CC..Hα-helixtrans-62.4-36.4171.6-175.966.2000112.1K237 S290 H293 M294 L315 L321 T322 S323K237-H319 PolarHBondContact NZ-CD2 2.7Å; S290-H319 VanDerWaalsContact CA-NE2 3.34Å; S290-H319 WeakPolarHBondContact CA-NE2 3.46Å; S290-H319 WeakPolarHBondContact CB-NE2 3.4Å; H293-H319 AromaticContact CD2-CE1 3.54Å; H293-H319 AromaticContact CD2-ND1 3.36Å; H293-H319 PolarHBondContact CD2-ND1 2.99Å; H293-H319 AromaticContact CG-CE1 3.94Å; H293-H319 AromaticContact CG-ND1 3.58Å; M294-H319 HydrophobicContact CE-CB 3.82Å; M294-H319 WeakPolarHBondContact CE-CD2 3.27Å; L315-H319 WeakPolarHBondContact O-CA 3.28Å; L315-H319 WeakPolarHBondContact O-CB 3.5Å; L315-H319 PolarHBondContact O-N 3.49Å; H319-L321 PolarHBondContact O-N 3.01Å; H319-T322 VanDerWaalsContact CA-OG1 3.25Å; H319-T322 WeakPolarHBondContact CA-OG1 3.17Å; H319-T322 PolarHBondContact O-N 2.96Å; H319-T322 PolarHBondContact O-OG1 3.08Å; H319-S323 VanDerWaalsContact O-CB 3.23Å; H319-S323 WeakPolarHBondContact O-CB 3.46Å; H319-S323 PolarHBondContact O-N 2.98Å; H319-S323 PolarHBondContact O-OG 2.98Å
320G96.9Very high96.9Very high0 Ų02.2 Ų2.20%01%0.013CC..Hα-helixtrans-62-42.3178.500000113.4A233 M316 I317 A318 S324A233-G320 WeakPolarHBondContact CB-O 3.37Å; M316-G320 PolarHBondContact O-N 3.43Å; I317-G320 WeakPolarHBondContact O-CA 3.35Å; I317-G320 PolarHBondContact O-N 2.97Å; A318-G320 VanDerWaalsContact C-N 3.3Å; A318-G320 PolarHBondContact O-N 3.38Å; G320-S324 WeakPolarHBondContact O-CB 3.37Å; G320-S324 PolarHBondContact O-N 3.28Å; G320-S324 PolarHBondContact O-OG 2.81Å
321L97.4Very high97Very high4 Ų42.3 Ų2.32%0.0211%0.014CC..Hα-helixtrans-72.1-43175.8-67.7168.4000112.2L68 I317 A318 H319 S324 L325 P443 I444 L447L68-L321 HydrophobicContact CD1-CD2 3.54Å; L68-L321 HydrophobicContact CD1-CG 3.77Å; I317-L321 HydrophobicContact CG2-CD1 4.45Å; I317-L321 PolarHBondContact O-N 3.41Å; A318-L321 PolarHBondContact O-N 3.41Å; H319-L321 PolarHBondContact O-N 3.01Å; L321-S324 PolarHBondContact O-OG 3.25Å; L321-L325 WeakPolarHBondContact O-CB 3.16Å; L321-L325 PolarHBondContact O-N 3.07Å; L321-L325 VanDerWaalsContact O-N 3.1Å; L321-P443 HydrophobicContact CD1-CB 4.07Å; L321-I444 HydrophobicContact CB-CD1 3.75Å; L321-I444 HydrophobicContact CB-CG1 3.57Å; L321-I444 HydrophobicContact CD1-CG1 3.77Å; L321-I444 HydrophobicContact CG-CG1 4.28Å; L321-L447 HydrophobicContact CD1-CD1 4.26Å
322T97.7Very high97.1Very high0 Ų02.5 Ų2.50%02%0.015CC..Hα-helixtrans-70.7-43.7-177.849.90000113.1A318 H319 L325 L326 A365 N374 I444A318-T322 WeakPolarHBondContact O-CG2 3.48Å; A318-T322 PolarHBondContact O-N 3.05Å; A318-T322 PolarHBondContact O-OG1 3.17Å; H319-T322 VanDerWaalsContact CA-OG1 3.25Å; H319-T322 WeakPolarHBondContact CA-OG1 3.17Å; H319-T322 PolarHBondContact O-N 2.96Å; H319-T322 PolarHBondContact O-OG1 3.08Å; T322-L325 WeakPolarHBondContact O-CB 3.25Å; T322-L325 PolarHBondContact O-N 3.15Å; T322-L326 WeakPolarHBondContact O-CG 3.47Å; T322-L326 PolarHBondContact O-N 3.04Å; T322-A365 HydrophobicContact CG2-CB 3.5Å; T322-N374 PolarHBondContact OG1-ND2 3.08Å; T322-I444 HydrophobicContact CG2-CD1 3.76Å
323S97.1Very high97Very high0 Ų02.7 Ų2.70%02%0.016CC..Hα-helixtrans-65.5-40.217759.10000112.4A232 H319 L326 F327A232-S323 WeakPolarHBondContact CB-OG 3.45Å; H319-S323 VanDerWaalsContact O-CB 3.23Å; H319-S323 WeakPolarHBondContact O-CB 3.46Å; H319-S323 PolarHBondContact O-N 2.98Å; H319-S323 PolarHBondContact O-OG 2.98Å; S323-L326 PolarHBondContact O-N 3.28Å; S323-F327 WeakPolarHBondContact O-CD2 3.47Å; S323-F327 PolarHBondContact O-N 2.72Å
324S97.6Very high97Very high0 Ų03.9 Ų3.90%02%0.02CC..Hα-helixtrans-63.9-42175.654.40000112G320 L321 L326 F327 C328 H440G320-S324 WeakPolarHBondContact O-CB 3.37Å; G320-S324 PolarHBondContact O-N 3.28Å; G320-S324 PolarHBondContact O-OG 2.81Å; L321-S324 PolarHBondContact O-OG 3.25Å; S324-L326 PolarHBondContact O-N 2.92Å; S324-F327 PolarHBondContact O-N 3.42Å; S324-C328 PolarHBondContact O-N 3.49Å; S324-C328 PolarHBondContact O-SG 3.16Å; S324-H440 PolarHBondContact OG-CE1 3.33Å; S324-H440 PolarHBondContact OG-ND1 2.96Å
325L98Very high96.8Very high0 Ų05 Ų50%03%0.025CC..Hα-helixtrans-57.2-47.8171.9176.565.6000112.2L321 T322 F327 C328 L329 A362 M437 H440 L441L321-L325 WeakPolarHBondContact O-CB 3.16Å; L321-L325 PolarHBondContact O-N 3.07Å; L321-L325 VanDerWaalsContact O-N 3.1Å; T322-L325 WeakPolarHBondContact O-CB 3.25Å; T322-L325 PolarHBondContact O-N 3.15Å; L325-F327 PolarHBondContact O-N 3.16Å; L325-C328 WeakPolarHBondContact O-CB 3.43Å; L325-C328 PolarHBondContact O-N 3.43Å; L325-C328 VanDerWaalsContact O-N 3.11Å; L325-L329 HydrophobicContact CD1-CD1 4.49Å; L325-L329 HydrophobicContact CG-CD1 4.22Å; L325-L329 WeakPolarHBondContact O-CG 3.45Å; L325-L329 PolarHBondContact O-N 3.3Å; L325-A362 HydrophobicContact CD2-CB 3.48Å; L325-A362 VanDerWaalsContact CD2-CB 3.48Å; L325-A362 HydrophobicContact CG-CB 3.91Å; L325-M437 HydrophobicContact CD1-CB 4.11Å; L325-M437 HydrophobicContact CD1-CG 4.33Å; L325-M437 HydrophobicContact CD1-SD 3.44Å; L325-M437 WeakPolarHBondContact CD1-SD 3.45Å; L325-H440 HydrophobicContact CB-CB 3.96Å; L325-H440 HydrophobicContact CD1-CB 3.75Å; L325-H440 HydrophobicContact CG-CB 4.32Å; L325-L441 HydrophobicContact CD2-CD1 4.07Å; L325-L441 HydrophobicContact CD2-CD2 3.74Å; L325-L441 HydrophobicContact CD2-CG 3.66Å
326L97.9Very high96.6Very high0 Ų06.4 Ų6.40%03%0.03CC..Hα-helixtrans-62.2-41.1178.5-72171.5000112.2I286 T322 S323 S324 C328 L329 A330 W359 A362 N366 M410I286-L326 HydrophobicContact CD1-CB 3.9Å; I286-L326 WeakPolarHBondContact CD1-O 3.47Å; I286-L326 HydrophobicContact CG1-CB 4.09Å; I286-L326 HydrophobicContact CG2-CB 3.96Å; T322-L326 WeakPolarHBondContact O-CG 3.47Å; T322-L326 PolarHBondContact O-N 3.04Å; S323-L326 PolarHBondContact O-N 3.28Å; S324-L326 PolarHBondContact O-N 2.92Å; L326-C328 VanDerWaalsContact C-N 3.27Å; L326-C328 PolarHBondContact O-N 3.46Å; L326-L329 HydrophobicContact CD2-CD1 4.43Å; L326-L329 PolarHBondContact O-N 2.87Å; L326-A330 WeakPolarHBondContact O-CB 3.48Å; L326-A330 PolarHBondContact O-N 2.95Å; L326-W359 HydrophobicContact CD2-CZ3 4.4Å; L326-A362 HydrophobicContact CD2-CB 3.75Å; L326-A362 HydrophobicContact CG-CB 4.38Å; L326-N366 HydrophobicContact CD1-CB 4.05Å; L326-N366 WeakPolarHBondContact CD1-ND2 3.39Å; L326-M410 HydrophobicContact CD1-CE 4.28Å; L326-M410 HydrophobicContact CD2-CE 4.34Å; L326-M410 HydrophobicContact CD2-SD 3.86Å
327F98.2Very high96.3Very high0 Ų07.7 Ų7.70%04%0.038CC..Hα-helixtrans-63.5-34.2174.1-81.5-64.3000112.2H220 I225 A232 K283 I286 A287 S323 S324 L325 A330 N331H220-F327 HydrophobicContact CB-CE1 4.1Å; H220-F327 HydrophobicContact CB-CZ 3.87Å; H220-F327 AromaticContact CE1-CE2 3.97Å; H220-F327 AromaticContact CG-CZ 3.77Å; H220-F327 AromaticContact ND1-CE2 3.42Å; H220-F327 WeakPolarHBondContact ND1-CE2 3.25Å; H220-F327 AromaticContact ND1-CZ 3.26Å; H220-F327 VanDerWaalsContact ND1-CZ 3.26Å; H220-F327 WeakPolarHBondContact ND1-CZ 3.03Å; I225-F327 HydrophobicContact CD1-CB 4.06Å; I225-F327 WeakPolarHBondContact CD1-O 3.49Å; A232-F327 HydrophobicContact CB-CD2 3.85Å; A232-F327 HydrophobicContact CB-CE2 3.7Å; K283-F327 HydrophobicContact CB-CE1 4.38Å; K283-F327 HydrophobicContact CG-CD1 4.37Å; K283-F327 HydrophobicContact CG-CE1 4.48Å; I286-F327 HydrophobicContact CB-CD1 4.47Å; I286-F327 HydrophobicContact CB-CE1 4.01Å; I286-F327 HydrophobicContact CB-CE2 4.38Å; I286-F327 HydrophobicContact CB-CZ 3.95Å; I286-F327 HydrophobicContact CD1-CD1 4.38Å; I286-F327 HydrophobicContact CG2-CD1 4.24Å; I286-F327 HydrophobicContact CG2-CD2 3.82Å; I286-F327 HydrophobicContact CG2-CE1 3.96Å; I286-F327 HydrophobicContact CG2-CE2 3.49Å; I286-F327 VanDerWaalsContact CG2-CE2 3.49Å; I286-F327 HydrophobicContact CG2-CG 4.17Å; I286-F327 HydrophobicContact CG2-CZ 3.56Å; A287-F327 HydrophobicContact CB-CZ 4.41Å; S323-F327 WeakPolarHBondContact O-CD2 3.47Å; S323-F327 PolarHBondContact O-N 2.72Å; S324-F327 PolarHBondContact O-N 3.42Å; L325-F327 PolarHBondContact O-N 3.16Å; F327-A330 WeakPolarHBondContact O-CB 3.38Å; F327-A330 PolarHBondContact O-N 3.38Å; F327-N331 WeakPolarHBondContact O-CB 3.33Å; F327-N331 PolarHBondContact O-N 3.33Å
328C97.4Very high96.1Very high5 Ų514.2 Ų14.23%0.0347%0.068CC..Hα-helixtrans-70-40175.3-69.40000112.8M229 S324 L325 L326 A330 N331 S332 L436 M437M229-C328 VanDerWaalsContact CE-SG 3.59Å; M229-C328 PolarHBondContact SD-SG 2.84Å; S324-C328 PolarHBondContact O-N 3.49Å; S324-C328 PolarHBondContact O-SG 3.16Å; L325-C328 WeakPolarHBondContact O-CB 3.43Å; L325-C328 PolarHBondContact O-N 3.43Å; L325-C328 VanDerWaalsContact O-N 3.11Å; L326-C328 VanDerWaalsContact C-N 3.27Å; L326-C328 PolarHBondContact O-N 3.46Å; C328-A330 VanDerWaalsContact C-N 3.35Å; C328-N331 WeakPolarHBondContact O-CB 3.48Å; C328-N331 PolarHBondContact O-N 2.94Å; C328-N331 VanDerWaalsContact O-N 3.16Å; C328-S332 PolarHBondContact O-N 2.85Å; C328-L436 HydrophobicContact CB-CD2 3.35Å; C328-L436 VanDerWaalsContact SG-CD2 3.53Å; C328-M437 HydrophobicContact CB-CE 3.92Å; C328-M437 HydrophobicContact CB-SD 4.23Å
329L97.7Very high95.8Very high0 Ų015.7 Ų15.70%08%0.079CC..Hα-helixtrans-64.1-40172.3-71.8170.7000111.6L325 L326 N331 S332 N333 M355 W358 W359 A362 M437L325-L329 HydrophobicContact CD1-CD1 4.49Å; L325-L329 HydrophobicContact CG-CD1 4.22Å; L325-L329 WeakPolarHBondContact O-CG 3.45Å; L325-L329 PolarHBondContact O-N 3.3Å; L326-L329 HydrophobicContact CD2-CD1 4.43Å; L326-L329 PolarHBondContact O-N 2.87Å; L329-N331 PolarHBondContact O-N 2.72Å; L329-S332 PolarHBondContact O-N 3.3Å; L329-S332 PolarHBondContact O-OG 3.16Å; L329-N333 PolarHBondContact O-N 2.94Å; L329-M355 HydrophobicContact CD2-CG 4.47Å; L329-M355 HydrophobicContact CD2-SD 3.53Å; L329-M355 VanDerWaalsContact CD2-SD 3.53Å; L329-W358 HydrophobicContact CD2-CB 4.02Å; L329-W359 HydrophobicContact CB-CD2 4.09Å; L329-W359 HydrophobicContact CB-CE3 4.46Å; L329-W359 HydrophobicContact CB-CH2 3.95Å; L329-W359 HydrophobicContact CB-CZ2 3.56Å; L329-W359 HydrophobicContact CB-CZ3 4.38Å; L329-W359 HydrophobicContact CD1-CD2 3.97Å; L329-W359 HydrophobicContact CD1-CE3 4.16Å; L329-W359 HydrophobicContact CD1-CG 4.18Å; L329-W359 HydrophobicContact CD2-CD2 4.43Å; L329-W359 HydrophobicContact CD2-CG 4.21Å; L329-W359 HydrophobicContact CG-CD2 4.41Å; L329-A362 HydrophobicContact CD1-CB 3.48Å; L329-A362 VanDerWaalsContact CD1-CB 3.48Å; L329-M437 HydrophobicContact CD2-CE 3.77Å; L329-M437 HydrophobicContact CD2-CG 4.13Å; L329-M437 HydrophobicContact CD2-SD 3.6Å; L329-M437 HydrophobicContact CG-CE 4.11Å; L329-M437 HydrophobicContact CG-SD 3.77Å
330A97.2Very high95.6Very high6 Ų617.9 Ų17.95%0.059%0.087CC..Hα-helixtrans-57.7-41.1170.500000111.9L282 K283 I286 L326 F327 C328 N333 Y334L282-A330 HydrophobicContact CD2-CB 3.12Å; K283-A330 HydrophobicContact CG-CB 4.14Å; I286-A330 HydrophobicContact CD1-CB 3.84Å; L326-A330 WeakPolarHBondContact O-CB 3.48Å; L326-A330 PolarHBondContact O-N 2.95Å; F327-A330 WeakPolarHBondContact O-CB 3.38Å; F327-A330 PolarHBondContact O-N 3.38Å; C328-A330 VanDerWaalsContact C-N 3.35Å; A330-N333 PolarHBondContact O-N 3.48Å; A330-Y334 WeakPolarHBondContact O-CB 3.26Å; A330-Y334 PolarHBondContact O-N 3.44Å
331N96.6Very high95.5Very high13 Ų1321.4 Ų21.47%0.0711%0.105CC..Hα-helixtrans-71.3-34.3-179.3-173.964.7000113I225 F327 C328 L329 N333 Y334 E335I225-N331 HydrophobicContact CB-CB 4.26Å; I225-N331 HydrophobicContact CD1-CB 3.72Å; I225-N331 HydrophobicContact CG1-CB 3.86Å; F327-N331 WeakPolarHBondContact O-CB 3.33Å; F327-N331 PolarHBondContact O-N 3.33Å; C328-N331 WeakPolarHBondContact O-CB 3.48Å; C328-N331 PolarHBondContact O-N 2.94Å; C328-N331 VanDerWaalsContact O-N 3.16Å; L329-N331 PolarHBondContact O-N 2.72Å; N331-N333 VanDerWaalsContact C-N 3.3Å; N331-N333 PolarHBondContact O-N 3.48Å; N331-Y334 PolarHBondContact O-N 3.44Å; N331-E335 PolarHBondContact ND2-OE1 2.65Å; N331-E335 WeakPolarHBondContact O-CB 3.31Å; N331-E335 WeakPolarHBondContact O-CG 3.43Å; N331-E335 PolarHBondContact O-N 3.33Å
332S95.8Very high95.3Very high3 Ų321.2 Ų21.22%0.02110%0.104CC..Hα-helixtrans-64.4-36.8175.667.40000111.5C328 L329 R336C328-S332 PolarHBondContact O-N 2.85Å; L329-S332 PolarHBondContact O-N 3.3Å; L329-S332 PolarHBondContact O-OG 3.16Å; S332-R336 PolarHBondContact O-NH1 3.18Å
333N95.1Very high95Very high5 Ų525.4 Ų25.43%0.02713%0.125CC..Hα-helixtrans-67.2-44171.3-69.6-1.8000111.4L329 A330 N331 E335 R336 T337 L348L329-N333 PolarHBondContact O-N 2.94Å; A330-N333 PolarHBondContact O-N 3.48Å; N331-N333 VanDerWaalsContact C-N 3.3Å; N331-N333 PolarHBondContact O-N 3.48Å; N333-E335 PolarHBondContact O-N 3.4Å; N333-R336 PolarHBondContact O-N 3.27Å; N333-T337 PolarHBondContact O-N 3.06Å; N333-T337 PolarHBondContact O-OG1 3.5Å; N333-L348 WeakPolarHBondContact OD1-CD1 3.39Å
334Y94.7Very high94.6Very high29 Ų2928.9 Ų28.911%0.11414%0.143CC..Hα-helixtrans-64.9-38.1-179.8-176.9-96.3000113.1N138 A330 N331 R336 H338 R340N138-Y334 VanDerWaalsContact ND2-CE1 3.29Å; N138-Y334 WeakPolarHBondContact ND2-CE1 3.44Å; N138-Y334 PolarHBondContact ND2-OH 3.01Å; N138-Y334 VanDerWaalsContact ND2-OH 3.1Å; A330-Y334 WeakPolarHBondContact O-CB 3.26Å; A330-Y334 PolarHBondContact O-N 3.44Å; N331-Y334 PolarHBondContact O-N 3.44Å; Y334-R336 PolarHBondContact O-N 2.97Å; Y334-H338 VanDerWaalsContact O-CA 3.27Å; Y334-H338 WeakPolarHBondContact O-CA 3.34Å; Y334-H338 PolarHBondContact O-N 3.33Å; Y334-R340 HydrophobicContact CD2-CG 3.8Å; Y334-R340 HydrophobicContact CE2-CG 3.85Å
335E93.3Very high94.1Very high35 Ų3529.1 Ų29.116%0.16415%0.145CC..Hα-helixtrans-64.3-18.5176.5-77.4-177.5-165.800113.1R82 N331 N333 R432R82-E335 VanDerWaalsContact CG-OE2 3.31Å; R82-E335 WeakPolarHBondContact CG-OE2 3.4Å; N331-E335 PolarHBondContact ND2-OE1 2.65Å; N331-E335 WeakPolarHBondContact O-CB 3.31Å; N331-E335 WeakPolarHBondContact O-CG 3.43Å; N331-E335 PolarHBondContact O-N 3.33Å; N333-E335 PolarHBondContact O-N 3.4Å; E335-R432 IonicContact OE1-NH2 3.54Å; E335-R432 PolarHBondContact OE1-NH2 3.48Å; E335-R432 IonicContact OE2-NH2 3.41Å; E335-R432 PolarHBondContact OE2-NH2 2.9Å
336R92.3Very high93.9Very high29 Ų2932 Ų3211%0.10916%0.159CC..Hα-helixtrans-99.7-45.4178.2-66.1174.5175.271.12.3112.8S332 N333 Y334 M426 K427 P428 E433S332-R336 PolarHBondContact O-NH1 3.18Å; N333-R336 PolarHBondContact O-N 3.27Å; Y334-R336 PolarHBondContact O-N 2.97Å; R336-M426 HydrophobicContact CB-SD 3.68Å; R336-M426 HydrophobicContact CG-SD 4.24Å; R336-K427 PolarHBondContact NE-O 3.35Å; R336-K427 PolarHBondContact NH2-O 2.98Å; R336-P428 PolarHBondContact NH2-O 3.46Å; R336-E433 IonicContact CZ-OE1 2.71Å; R336-E433 IonicContact CZ-OE2 3.93Å; R336-E433 IonicContact NH1-OE1 2.7Å; R336-E433 PolarHBondContact NH1-OE1 3Å; R336-E433 IonicContact NH1-OE2 3.94Å; R336-E433 PolarHBondContact NH1-OE2 3.31Å; R336-E433 IonicContact NH2-OE1 3.16Å; R336-E433 PolarHBondContact NH2-OE1 3.35Å; R336-E433 IonicContact NH2-OE2 3.08Å; R336-E433 PolarHBondContact NH2-OE2 3.44Å
337T91.3Very high93.6Very high26 Ų2632 Ų3216%0.1616%0.159CC..Hα-helixtrans-96-14.7-172.360.50000113.7N333 S339 I423 M426N333-T337 PolarHBondContact O-N 3.06Å; N333-T337 PolarHBondContact O-OG1 3.5Å; T337-S339 PolarHBondContact O-N 3.15Å; T337-S339 PolarHBondContact OG1-O 3.1Å; T337-I423 HydrophobicContact CG2-CD1 4.23Å; T337-M426 HydrophobicContact CG2-CE 3.53Å; T337-M426 HydrophobicContact CG2-SD 4.45Å
338H91.9Very high93.4Very high143 Ų14332.1 Ų32.166%0.66216%0.16SC*.SBendtrans53.515.9-174-64.3-63.3000115.2Y334Y334-H338 VanDerWaalsContact O-CA 3.27Å; Y334-H338 WeakPolarHBondContact O-CA 3.34Å; Y334-H338 PolarHBondContact O-N 3.33Å
339S91.4Very high93.3Very high31 Ų3136 Ų3622%0.21718%0.177CC..  trans-129.8150.4179640000110.2T337 L344T337-S339 PolarHBondContact O-N 3.15Å; T337-S339 PolarHBondContact OG1-O 3.1Å; S339-L344 VanDerWaalsContact OG-CD1 3.29Å; S339-L344 WeakPolarHBondContact OG-CD1 3.46Å
340R92.4Very high93Very high46 Ų4640.9 Ų40.917%0.17421%0.207CC..  trans-95.5-5.8179.5-60.5-174.1-68.5-150.51.8112.7V221 E222 L282 Y334 M342V221-R340 PolarHBondContact O-NH1 2.6Å; E222-R340 VanDerWaalsContact CD-NH1 3.33Å; E222-R340 IonicContact OE1-CZ 2.82Å; E222-R340 IonicContact OE1-NH1 3.18Å; E222-R340 PolarHBondContact OE1-NH1 3.36Å; E222-R340 IonicContact OE1-NH2 3.39Å; E222-R340 PolarHBondContact OE1-NH2 2.95Å; E222-R340 IonicContact OE2-CZ 3.37Å; E222-R340 IonicContact OE2-NH1 2.94Å; E222-R340 PolarHBondContact OE2-NH1 3.21Å; E222-R340 IonicContact OE2-NH2 3.12Å; L282-R340 PolarHBondContact N-O 3.17Å; Y334-R340 HydrophobicContact CD2-CG 3.8Å; Y334-R340 HydrophobicContact CE2-CG 3.85Å; R340-M342 PolarHBondContact O-N 3.37Å
341I94.3Very high92.8Very high74 Ų7444.5 Ų44.538%0.37923%0.225SC..BIsolated β-bridgetrans-73.8119.9-173.2-60.3167.2000108.9I343 L344I341-I343 VanDerWaalsContact C-N 3.34Å; I341-I343 HydrophobicContact CG2-CB 4.38Å; I341-I343 PolarHBondContact O-N 3.28Å; I341-L344 HydrophobicContact CB-CD1 3.91Å; I341-L344 HydrophobicContact CB-CG 4.08Å; I341-L344 HydrophobicContact CD1-CD1 4.02Å; I341-L344 HydrophobicContact CG1-CD1 4.47Å; I341-L344 HydrophobicContact CG2-CD1 4.39Å; I341-L344 HydrophobicContact CG2-CG 4.08Å; I341-L344 PolarHBondContact O-N 3.44Å
342M93.1Very high92.8Very high1 Ų144.1 Ų44.11%0.00522%0.223CC..G310 helixtrans-63-38.2-173.7-173.7164.566.600113.1T280 L282 L285 R340 L344 S345 Y409 T413 T414T280-M342 WeakPolarHBondContact O-CB 3.06Å; T280-M342 PolarHBondContact O-N 2.7Å; L282-M342 HydrophobicContact CB-CB 4.33Å; L282-M342 HydrophobicContact CD1-CG 4.24Å; L285-M342 HydrophobicContact CD1-CE 4.14Å; L285-M342 HydrophobicContact CD1-SD 4.08Å; R340-M342 PolarHBondContact O-N 3.37Å; M342-L344 PolarHBondContact O-N 3.46Å; M342-S345 PolarHBondContact O-N 3.16Å; M342-S345 VanDerWaalsContact O-N 3.11Å; M342-S345 PolarHBondContact O-OG 2.96Å; M342-S345 VanDerWaalsContact O-OG 3.04Å; M342-Y409 HydrophobicContact CE-CD1 3.99Å; M342-Y409 HydrophobicContact CE-CE1 3.3Å; M342-T413 HydrophobicContact CE-CG2 4.31Å; M342-T413 WeakPolarHBondContact CG-OG1 3.46Å; M342-T413 PolarHBondContact SD-OG1 3.26Å; M342-T414 HydrophobicContact CG-CG2 3.76Å; M342-T414 HydrophobicContact SD-CG2 4.4Å
343I91.3Very high92.8Very high87 Ų8748.2 Ų48.245%0.44625%0.249SC..G310 helixtrans-66.6-23.2-179-65.5165.7000112.1I341 S345 Q346I341-I343 VanDerWaalsContact C-N 3.34Å; I341-I343 HydrophobicContact CG2-CB 4.38Å; I341-I343 PolarHBondContact O-N 3.28Å; I343-S345 VanDerWaalsContact C-N 3.29Å; I343-Q346 WeakPolarHBondContact O-CG 3.29Å
344L90.5Very high92.8Very high73 Ų7351.8 Ų51.838%0.38227%0.268SS..G310 helixtrans-74-22.7175.8-69.6177.4000112.5S339 I341 M342 T420 I423S339-L344 VanDerWaalsContact OG-CD1 3.29Å; S339-L344 WeakPolarHBondContact OG-CD1 3.46Å; I341-L344 HydrophobicContact CB-CD1 3.91Å; I341-L344 HydrophobicContact CB-CG 4.08Å; I341-L344 HydrophobicContact CD1-CD1 4.02Å; I341-L344 HydrophobicContact CG1-CD1 4.47Å; I341-L344 HydrophobicContact CG2-CD1 4.39Å; I341-L344 HydrophobicContact CG2-CG 4.08Å; I341-L344 PolarHBondContact O-N 3.44Å; M342-L344 PolarHBondContact O-N 3.46Å; L344-T420 WeakPolarHBondContact O-CG2 3.46Å; L344-I423 WeakPolarHBondContact O-CD1 3.49Å
345S86.9Confident92.9Very high6 Ų650.5 Ų50.54%0.04226%0.263CS..SBendtrans-105.255.1-176.959.80000111.6M342 I343 T414M342-S345 PolarHBondContact O-N 3.16Å; M342-S345 VanDerWaalsContact O-N 3.11Å; M342-S345 PolarHBondContact O-OG 2.96Å; M342-S345 VanDerWaalsContact O-OG 3.04Å; I343-S345 VanDerWaalsContact C-N 3.29Å; S345-T414 CarbonylContact O-C 3.25Å; S345-T414 WeakPolarHBondContact O-CA 3.26Å
346Q92Very high93.1Very high59 Ų5949 Ų4928%0.27626%0.257SS..  trans-89.7154.1-179.7-75.7174.8-3.900113.2I343 L348 T413 T420I343-Q346 WeakPolarHBondContact O-CG 3.29Å; Q346-L348 VanDerWaalsContact C-N 3.28Å; Q346-L348 PolarHBondContact O-N 3.05Å; Q346-T413 VanDerWaalsContact CG-O 3.24Å; Q346-T413 WeakPolarHBondContact CG-O 3.5Å; Q346-T420 HydrophobicContact CB-CG2 4.33Å
347G92Very high93.3Very high0 Ų052.4 Ų52.40%027%0.273CS..  trans67.919.217000000115.7Q349 T350 Q415 W416 G417 L419G347-Q349 PolarHBondContact O-N 2.98Å; G347-Q349 VanDerWaalsContact O-N 3.12Å; G347-T350 PolarHBondContact O-N 3.43Å; G347-T350 PolarHBondContact O-OG1 3.21Å; G347-Q415 CarbonylContact C-O 3.54Å; G347-Q415 VanDerWaalsContact C-O 3.25Å; G347-Q415 WeakPolarHBondContact CA-O 3.33Å; G347-W416 WeakPolarHBondContact CA-O 3.22Å; G347-W416 PolarHBondContact N-O 3.41Å; G347-G417 WeakPolarHBondContact CA-O 3.44Å; G347-L419 VanDerWaalsContact O-CD2 3.28Å; G347-L419 WeakPolarHBondContact O-CD2 3.42Å
348L94Very high93.6Very high4 Ų452.4 Ų52.42%0.02127%0.27CS..G310 helixtrans-64.4-17.8-172.1-66.9178.3000114.6N333 Q346 T350 L351 L352 T414 Q415 M426N333-L348 WeakPolarHBondContact OD1-CD1 3.39Å; Q346-L348 VanDerWaalsContact C-N 3.28Å; Q346-L348 PolarHBondContact O-N 3.05Å; L348-T350 PolarHBondContact O-N 2.92Å; L348-L351 PolarHBondContact O-N 2.86Å; L348-L352 PolarHBondContact O-N 3.39Å; L348-T414 WeakPolarHBondContact CB-O 3.32Å; L348-T414 WeakPolarHBondContact CG-O 3.31Å; L348-T414 PolarHBondContact N-O 3.21Å; L348-Q415 PolarHBondContact N-O 3.38Å; L348-M426 HydrophobicContact CD2-CE 3.38Å; L348-M426 HydrophobicContact CD2-SD 4.46Å
349Q95.8Very high93.9Very high86 Ų8645.6 Ų45.640%0.40224%0.238SC..G310 helixtrans-60.3-34.1178.6-178.8175.3-4.600112.8G347 L351 A356 Q415G347-Q349 PolarHBondContact O-N 2.98Å; G347-Q349 VanDerWaalsContact O-N 3.12Å; Q349-L351 VanDerWaalsContact C-N 3.29Å; Q349-L351 PolarHBondContact O-N 3.48Å; Q349-A356 HydrophobicContact CB-CB 3.82Å; Q349-A356 HydrophobicContact CG-CB 3.8Å; Q349-Q415 HydrophobicContact CB-CB 4.36Å; Q349-Q415 VanDerWaalsContact CB-O 3.24Å; Q349-Q415 WeakPolarHBondContact CB-O 3.28Å; Q349-Q415 PolarHBondContact N-O 3.22Å
350T92.3Very high94.2Very high102 Ų10247.1 Ų47.163%0.62624%0.244SC*.G310 helixtrans-68.9-30.1-179.658.30000112.4G347 L348 L419G347-T350 PolarHBondContact O-N 3.43Å; G347-T350 PolarHBondContact O-OG1 3.21Å; L348-T350 PolarHBondContact O-N 2.92Å; T350-L419 VanDerWaalsContact OG1-CD1 3.27Å; T350-L419 WeakPolarHBondContact OG1-CD1 3.37Å; T350-L419 WeakPolarHBondContact OG1-CG 3.34Å
351L92.9Very high94.4Very high82 Ų8247 Ų4743%0.42925%0.246SC..THydrogen-bonded Turntrans-93.1-38179.8-64.9176.8000113.1L348 Q349 L419 M426L348-L351 PolarHBondContact O-N 2.86Å; Q349-L351 VanDerWaalsContact C-N 3.29Å; Q349-L351 PolarHBondContact O-N 3.48Å; L351-L419 HydrophobicContact CD1-CD1 4.16Å; L351-L419 HydrophobicContact CD1-CD2 3.43Å; L351-L419 VanDerWaalsContact CD1-CD2 3.43Å; L351-L419 HydrophobicContact CD1-CG 4.44Å; L351-L419 HydrophobicContact CD2-CD1 4.13Å; L351-L419 HydrophobicContact CG-CD1 3.92Å; L351-L419 HydrophobicContact CG-CD2 3.76Å; L351-L419 HydrophobicContact CG-CG 4.48Å; L351-M426 HydrophobicContact CD1-CB 3.88Å; L351-M426 HydrophobicContact CD1-CG 3.89Å
352L95.4Very high94.5Very high6 Ų643.5 Ų43.53%0.03123%0.228CC..  trans-129.666.3-169.1-61169.3000110.9L348 L354 M355 A356L348-L352 PolarHBondContact O-N 3.39Å; L352-L354 VanDerWaalsContact C-N 3.35Å; L352-L354 PolarHBondContact O-N 2.92Å; L352-M355 HydrophobicContact CB-CB 3.8Å; L352-M355 WeakPolarHBondContact O-CB 3.45Å; L352-M355 PolarHBondContact O-N 2.67Å; L352-A356 PolarHBondContact O-N 3.48Å
353P95Very high94.8Very high88 Ų8843.5 Ų43.557%0.57123%0.228SC*.Hα-helixtrans-61.9-38.5-171.323.6-34.5000113.3A356 F357P353-A356 WeakPolarHBondContact O-CB 3.3Å; P353-A356 PolarHBondContact O-N 2.88Å; P353-F357 PolarHBondContact O-N 3.47Å
354L96.8Very high95Very high81 Ų8141.4 Ų41.442%0.42422%0.218SC..Hα-helixtrans-68.8-35.4176.3-175.861.4000112.1L352 A356 F357 W358L352-L354 VanDerWaalsContact C-N 3.35Å; L352-L354 PolarHBondContact O-N 2.92Å; L354-A356 VanDerWaalsContact C-N 3.35Å; L354-F357 HydrophobicContact CD1-CD1 4.45Å; L354-F357 WeakPolarHBondContact O-CB 3.18Å; L354-F357 PolarHBondContact O-N 3.12Å; L354-W358 PolarHBondContact O-N 3.37Å; L354-W358 VanDerWaalsContact O-N 3.15Å
355M96.8Very high95.2Very high2 Ų238 Ų381%0.0120%0.201CC..Hα-helixtrans-68-38.8174-167.461.571.600110.9L329 L352 F357 W358 W359 E433 M437L329-M355 HydrophobicContact CD2-CG 4.47Å; L329-M355 HydrophobicContact CD2-SD 3.53Å; L329-M355 VanDerWaalsContact CD2-SD 3.53Å; L352-M355 HydrophobicContact CB-CB 3.8Å; L352-M355 WeakPolarHBondContact O-CB 3.45Å; L352-M355 PolarHBondContact O-N 2.67Å; M355-F357 VanDerWaalsContact C-N 3.29Å; M355-F357 PolarHBondContact O-N 3.15Å; M355-W358 WeakPolarHBondContact O-CB 3.41Å; M355-W358 PolarHBondContact O-N 2.87Å; M355-W358 VanDerWaalsContact O-N 3.13Å; M355-W359 VanDerWaalsContact O-CD1 3.28Å; M355-W359 PolarHBondContact O-N 2.93Å; M355-E433 HydrophobicContact CE-CB 3.91Å; M355-M437 HydrophobicContact SD-CE 4.32Å; M355-M437 HydrophobicContact SD-CG 4.4Å
356A96.9Very high95.7Very high4 Ų437.8 Ų37.83%0.03320%0.199CC..Hα-helixtrans-62.3-36.2173.900000112.2Q349 L352 P353 L354 W359 L360 Q415Q349-A356 HydrophobicContact CB-CB 3.82Å; Q349-A356 HydrophobicContact CG-CB 3.8Å; L352-A356 PolarHBondContact O-N 3.48Å; P353-A356 WeakPolarHBondContact O-CB 3.3Å; P353-A356 PolarHBondContact O-N 2.88Å; L354-A356 VanDerWaalsContact C-N 3.35Å; A356-W359 WeakPolarHBondContact O-CB 3.33Å; A356-W359 PolarHBondContact O-N 3.17Å; A356-L360 WeakPolarHBondContact O-CB 3.36Å; A356-L360 PolarHBondContact O-N 3.19Å; A356-Q415 HydrophobicContact CB-CG 4.37Å
357F96.9Very high95.9Very high100 Ų10036.2 Ų36.244%0.43919%0.192SC..Hα-helixtrans-61.2-43.5170.9176.8-102.6000112.2P353 L354 M355 L360 L361P353-F357 PolarHBondContact O-N 3.47Å; L354-F357 HydrophobicContact CD1-CD1 4.45Å; L354-F357 WeakPolarHBondContact O-CB 3.18Å; L354-F357 PolarHBondContact O-N 3.12Å; M355-F357 VanDerWaalsContact C-N 3.29Å; M355-F357 PolarHBondContact O-N 3.15Å; F357-L360 WeakPolarHBondContact O-CB 3.33Å; F357-L360 PolarHBondContact O-N 3.22Å; F357-L361 HydrophobicContact CD1-CD1 4.08Å; F357-L361 HydrophobicContact CE1-CD1 3.37Å; F357-L361 HydrophobicContact CE1-CG 4.18Å; F357-L361 HydrophobicContact CE2-CD1 4.24Å; F357-L361 HydrophobicContact CE2-CG 4.29Å; F357-L361 HydrophobicContact CZ-CD1 3.48Å; F357-L361 VanDerWaalsContact CZ-CD1 3.48Å; F357-L361 HydrophobicContact CZ-CD2 4.41Å; F357-L361 HydrophobicContact CZ-CG 4.01Å; F357-L361 PolarHBondContact O-N 2.71Å
358W97.8Very high96Very high26 Ų2636.4 Ų36.410%0.09819%0.194CC..Hα-helixtrans-63.6-40.7174-59.9130.8000112.7L329 L354 M355 L360 L361 A362 N434 M437 F438 L441L329-W358 HydrophobicContact CD2-CB 4.02Å; L354-W358 PolarHBondContact O-N 3.37Å; L354-W358 VanDerWaalsContact O-N 3.15Å; M355-W358 WeakPolarHBondContact O-CB 3.41Å; M355-W358 PolarHBondContact O-N 2.87Å; M355-W358 VanDerWaalsContact O-N 3.13Å; W358-L360 VanDerWaalsContact C-N 3.34Å; W358-L361 HydrophobicContact CE3-CD1 4.2Å; W358-L361 HydrophobicContact CZ3-CD1 4.28Å; W358-L361 PolarHBondContact O-N 2.76Å; W358-A362 VanDerWaalsContact O-CB 3.3Å; W358-A362 WeakPolarHBondContact O-CB 3.01Å; W358-A362 PolarHBondContact O-N 2.87Å; W358-N434 PolarHBondContact NE1-OD1 3.25Å; W358-M437 HydrophobicContact CB-CB 4.07Å; W358-M437 HydrophobicContact CB-CG 4.05Å; W358-M437 HydrophobicContact CD2-CB 3.62Å; W358-M437 HydrophobicContact CD2-CG 4.41Å; W358-M437 HydrophobicContact CE3-CB 4.18Å; W358-M437 HydrophobicContact CG-CB 3.58Å; W358-M437 HydrophobicContact CG-CG 3.84Å; W358-F438 HydrophobicContact CH2-CB 3.96Å; W358-F438 HydrophobicContact CH2-CD2 4.07Å; W358-F438 HydrophobicContact CZ2-CB 4.23Å; W358-L441 HydrophobicContact CD2-CD1 4.28Å; W358-L441 HydrophobicContact CE3-CD1 3.16Å; W358-L441 HydrophobicContact CZ3-CD1 3.46Å; W358-L441 VanDerWaalsContact CZ3-CD1 3.46Å
359W97.8Very high96Very high0 Ų039.5 Ų39.50%021%0.21CC..Hα-helixtrans-59.4-43.4172.6-88.7103.4000112.4L282 L326 L329 M355 A356 A362 S363 M410 F411 Q415L282-W359 HydrophobicContact CD1-CH2 3.81Å; L282-W359 HydrophobicContact CD1-CZ2 4.36Å; L282-W359 HydrophobicContact CD2-CH2 4.01Å; L282-W359 HydrophobicContact CG-CH2 4.4Å; L326-W359 HydrophobicContact CD2-CZ3 4.4Å; L329-W359 HydrophobicContact CB-CD2 4.09Å; L329-W359 HydrophobicContact CB-CE3 4.46Å; L329-W359 HydrophobicContact CB-CH2 3.95Å; L329-W359 HydrophobicContact CB-CZ2 3.56Å; L329-W359 HydrophobicContact CB-CZ3 4.38Å; L329-W359 HydrophobicContact CD1-CD2 3.97Å; L329-W359 HydrophobicContact CD1-CE3 4.16Å; L329-W359 HydrophobicContact CD1-CG 4.18Å; L329-W359 HydrophobicContact CD2-CD2 4.43Å; L329-W359 HydrophobicContact CD2-CG 4.21Å; L329-W359 HydrophobicContact CG-CD2 4.41Å; M355-W359 VanDerWaalsContact O-CD1 3.28Å; M355-W359 PolarHBondContact O-N 2.93Å; A356-W359 WeakPolarHBondContact O-CB 3.33Å; A356-W359 PolarHBondContact O-N 3.17Å; W359-A362 PolarHBondContact O-N 3.34Å; W359-S363 WeakPolarHBondContact O-CB 3.26Å; W359-S363 PolarHBondContact O-N 2.9Å; W359-S363 PolarHBondContact O-OG 3.23Å; W359-M410 HydrophobicContact CE3-SD 4.35Å; W359-M410 HydrophobicContact CZ3-CG 4Å; W359-M410 HydrophobicContact CZ3-SD 3.62Å; W359-F411 HydrophobicContact CB-CD2 3.99Å; W359-F411 HydrophobicContact CB-CE2 4.03Å; W359-Q415 HydrophobicContact CB-CG 3.8Å; W359-Q415 HydrophobicContact CG-CG 4Å
360L97.4Very high95.7Very high63 Ų6339.5 Ų39.533%0.3322%0.217SC..Hα-helixtrans-60.9-54.5177.5-177.869.7000109.9A356 F357 W358 A362 S363 L364 F411A356-L360 WeakPolarHBondContact O-CB 3.36Å; A356-L360 PolarHBondContact O-N 3.19Å; F357-L360 WeakPolarHBondContact O-CB 3.33Å; F357-L360 PolarHBondContact O-N 3.22Å; W358-L360 VanDerWaalsContact C-N 3.34Å; L360-A362 VanDerWaalsContact C-N 3.31Å; L360-A362 PolarHBondContact O-N 3.5Å; L360-S363 PolarHBondContact O-N 2.69Å; L360-S363 VanDerWaalsContact O-N 3.13Å; L360-S363 PolarHBondContact O-OG 3.18Å; L360-L364 HydrophobicContact CD1-CD1 4.32Å; L360-L364 HydrophobicContact CD1-CG 4.38Å; L360-L364 HydrophobicContact CG-CD1 3.95Å; L360-L364 HydrophobicContact CG-CG 4.38Å; L360-L364 WeakPolarHBondContact O-CB 3.37Å; L360-L364 VanDerWaalsContact O-CG 3.3Å; L360-L364 WeakPolarHBondContact O-CG 3.3Å; L360-L364 PolarHBondContact O-N 3.05Å; L360-F411 HydrophobicContact CB-CD2 4.44Å; L360-F411 HydrophobicContact CB-CE2 3.68Å; L360-F411 HydrophobicContact CB-CZ 4Å; L360-F411 HydrophobicContact CD1-CE1 4Å; L360-F411 HydrophobicContact CD1-CE2 4.07Å; L360-F411 HydrophobicContact CD1-CZ 3.77Å; L360-F411 HydrophobicContact CG-CZ 4.45Å
361L96.9Very high95.4Very high44 Ų4439.6 Ų39.623%0.2322%0.219CC..Hα-helixtrans-58.9-41.2179.2-71.5-179.3000112.7F357 W358 L364 A365 L441F357-L361 HydrophobicContact CD1-CD1 4.08Å; F357-L361 HydrophobicContact CE1-CD1 3.37Å; F357-L361 HydrophobicContact CE1-CG 4.18Å; F357-L361 HydrophobicContact CE2-CD1 4.24Å; F357-L361 HydrophobicContact CE2-CG 4.29Å; F357-L361 HydrophobicContact CZ-CD1 3.48Å; F357-L361 VanDerWaalsContact CZ-CD1 3.48Å; F357-L361 HydrophobicContact CZ-CD2 4.41Å; F357-L361 HydrophobicContact CZ-CG 4.01Å; F357-L361 PolarHBondContact O-N 2.71Å; W358-L361 HydrophobicContact CE3-CD1 4.2Å; W358-L361 HydrophobicContact CZ3-CD1 4.28Å; W358-L361 PolarHBondContact O-N 2.76Å; L361-L364 PolarHBondContact O-N 3.39Å; L361-A365 WeakPolarHBondContact O-CB 3.5Å; L361-A365 PolarHBondContact O-N 3.18Å; L361-L441 HydrophobicContact CB-CD1 3.98Å; L361-L441 HydrophobicContact CB-CD2 4.01Å; L361-L441 HydrophobicContact CD1-CD1 3.89Å
362A97.1Very high95.4Very high0 Ų036.5 Ų36.50%020%0.204CC..Hα-helixtrans-64.1-41.9176.300000112.1L325 L326 L329 W358 W359 L360 A365 N366L325-A362 HydrophobicContact CD2-CB 3.48Å; L325-A362 VanDerWaalsContact CD2-CB 3.48Å; L325-A362 HydrophobicContact CG-CB 3.91Å; L326-A362 HydrophobicContact CD2-CB 3.75Å; L326-A362 HydrophobicContact CG-CB 4.38Å; L329-A362 HydrophobicContact CD1-CB 3.48Å; L329-A362 VanDerWaalsContact CD1-CB 3.48Å; W358-A362 VanDerWaalsContact O-CB 3.3Å; W358-A362 WeakPolarHBondContact O-CB 3.01Å; W358-A362 PolarHBondContact O-N 2.87Å; W359-A362 PolarHBondContact O-N 3.34Å; L360-A362 VanDerWaalsContact C-N 3.31Å; L360-A362 PolarHBondContact O-N 3.5Å; A362-A365 PolarHBondContact O-N 2.82Å; A362-N366 WeakPolarHBondContact O-CB 3.42Å; A362-N366 PolarHBondContact O-N 3.21Å
363S97.3Very high95.4Very high0 Ų036.2 Ų36.20%020%0.203CC..Hα-helixtrans-66.9-40.7177.570.30000112.1W359 L360 N366 L367W359-S363 WeakPolarHBondContact O-CB 3.26Å; W359-S363 PolarHBondContact O-N 2.9Å; W359-S363 PolarHBondContact O-OG 3.23Å; L360-S363 PolarHBondContact O-N 2.69Å; L360-S363 VanDerWaalsContact O-N 3.13Å; L360-S363 PolarHBondContact O-OG 3.18Å; S363-N366 PolarHBondContact O-N 2.81Å; S363-L367 WeakPolarHBondContact O-CG 3.22Å; S363-L367 PolarHBondContact O-N 3.1Å
364L96.4Very high95.4Very high43 Ų4332.1 Ų32.123%0.22518%0.176CC..Hα-helixtrans-64.9-40.7175.4-69.5175.1000111.8L360 L361 L367 A368 L369L360-L364 HydrophobicContact CD1-CD1 4.32Å; L360-L364 HydrophobicContact CD1-CG 4.38Å; L360-L364 HydrophobicContact CG-CD1 3.95Å; L360-L364 HydrophobicContact CG-CG 4.38Å; L360-L364 WeakPolarHBondContact O-CB 3.37Å; L360-L364 VanDerWaalsContact O-CG 3.3Å; L360-L364 WeakPolarHBondContact O-CG 3.3Å; L360-L364 PolarHBondContact O-N 3.05Å; L361-L364 PolarHBondContact O-N 3.39Å; L364-L367 HydrophobicContact CD2-CD2 4.33Å; L364-L367 WeakPolarHBondContact O-CG 3.47Å; L364-A368 PolarHBondContact O-N 3.4Å; L364-L369 HydrophobicContact CB-CB 4.26Å; L364-L369 HydrophobicContact CB-CD2 4.34Å; L364-L369 HydrophobicContact CD1-CD2 4.29Å; L364-L369 HydrophobicContact CD2-CD1 4.26Å; L364-L369 HydrophobicContact CD2-CD2 4.24Å; L364-L369 WeakPolarHBondContact O-CB 3.24Å; L364-L369 PolarHBondContact O-N 2.9Å
365A95.8Very high95.4Very high3 Ų330.2 Ų30.23%0.02517%0.166CC..Hα-helixtrans-65-43.617300000110.7T322 L361 A362 L367 A368 N374T322-A365 HydrophobicContact CG2-CB 3.5Å; L361-A365 WeakPolarHBondContact O-CB 3.5Å; L361-A365 PolarHBondContact O-N 3.18Å; A362-A365 PolarHBondContact O-N 2.82Å; A365-L367 VanDerWaalsContact C-N 3.33Å; A365-L367 PolarHBondContact O-N 2.73Å; A365-A368 WeakPolarHBondContact O-CA 3.34Å; A365-A368 PolarHBondContact O-N 3.21Å; A365-N374 WeakPolarHBondContact O-CB 3.3Å; A365-N374 PolarHBondContact O-ND2 3.49Å
366N96.8Very high95.2Very high0 Ų033.6 Ų33.60%018%0.184CC..Hα-helixtrans-64.8-29.6-179.2-167.126.8000114.5H293 L326 A362 S363 A368H293-N366 PolarHBondContact NE2-O 2.87Å; H293-N366 PolarHBondContact NE2-OD1 3.42Å; L326-N366 HydrophobicContact CD1-CB 4.05Å; L326-N366 WeakPolarHBondContact CD1-ND2 3.39Å; A362-N366 WeakPolarHBondContact O-CB 3.42Å; A362-N366 PolarHBondContact O-N 3.21Å; S363-N366 PolarHBondContact O-N 2.81Å; N366-A368 VanDerWaalsContact C-N 3.27Å
367L95.5Very high95.2Very high27 Ų2733.4 Ų33.414%0.14118%0.182CC..THydrogen-bonded Turntrans-87.77.2171.565.184.4000114.1S363 L364 A365 L369 A404 S407 L408S363-L367 WeakPolarHBondContact O-CG 3.22Å; S363-L367 PolarHBondContact O-N 3.1Å; L364-L367 HydrophobicContact CD2-CD2 4.33Å; L364-L367 WeakPolarHBondContact O-CG 3.47Å; A365-L367 VanDerWaalsContact C-N 3.33Å; A365-L367 PolarHBondContact O-N 2.73Å; L367-L369 HydrophobicContact CD1-CB 4Å; L367-L369 HydrophobicContact CD1-CD1 4.22Å; L367-A404 HydrophobicContact CB-CB 4.5Å; L367-S407 WeakPolarHBondContact CB-OG 3.41Å; L367-S407 WeakPolarHBondContact CD2-OG 3.42Å; L367-L408 HydrophobicContact CD2-CD2 4.17Å; L367-L408 HydrophobicContact CD2-CG 4.18Å
368A95.2Very high95.1Very high4 Ų428.8 Ų28.83%0.03316%0.162CC..THydrogen-bonded Turntrans58.755.2179.900000113.8L364 A365 N366 N374 L375 E378 M400L364-A368 PolarHBondContact O-N 3.4Å; A365-A368 WeakPolarHBondContact O-CA 3.34Å; A365-A368 PolarHBondContact O-N 3.21Å; N366-A368 VanDerWaalsContact C-N 3.27Å; A368-N374 HydrophobicContact CB-CB 4Å; A368-L375 HydrophobicContact CB-CB 4.1Å; A368-L375 HydrophobicContact CB-CD1 4.3Å; A368-L375 WeakPolarHBondContact O-CB 3.04Å; A368-L375 VanDerWaalsContact O-CD1 3.3Å; A368-L375 WeakPolarHBondContact O-CD1 3.44Å; A368-E378 VanDerWaalsContact CB-CD 3.48Å; A368-E378 HydrophobicContact CB-CG 4.41Å; A368-E378 WeakPolarHBondContact CB-OE2 3.17Å; A368-M400 HydrophobicContact CB-CE 4.42Å
369L93.6Very high95Very high69 Ų6932 Ų3236%0.36118%0.181SC..  trans-66.3137.7173.9-16885.9000111.1L364 L367 T372L364-L369 HydrophobicContact CB-CB 4.26Å; L364-L369 HydrophobicContact CB-CD2 4.34Å; L364-L369 HydrophobicContact CD1-CD2 4.29Å; L364-L369 HydrophobicContact CD2-CD1 4.26Å; L364-L369 HydrophobicContact CD2-CD2 4.24Å; L364-L369 WeakPolarHBondContact O-CB 3.24Å; L364-L369 PolarHBondContact O-N 2.9Å; L367-L369 HydrophobicContact CD1-CB 4Å; L367-L369 HydrophobicContact CD1-CD1 4.22Å; L369-T372 VanDerWaalsContact O-CB 3.28Å; L369-T372 WeakPolarHBondContact O-CB 3.33Å; L369-T372 VanDerWaalsContact O-CG2 3.3Å; L369-T372 WeakPolarHBondContact O-CG2 3.37Å; L369-T372 PolarHBondContact O-N 3.12Å; L369-T372 PolarHBondContact O-OG1 3.41Å
370P88.6Confident94.8Very high85 Ų8532.4 Ų32.455%0.55218%0.183SC*.THydrogen-bonded Turntrans-63139.4166.924.2-32.2000110.9L375P370-L375 HydrophobicContact CB-CD2 3.58Å; P370-L375 HydrophobicContact CG-CD2 4.25Å
371P87.2Confident94.8Very high104 Ų10429.4 Ų29.468%0.67517%0.167SC*.THydrogen-bonded Turncis-98.831.74.139.2-36.3000114.5S448P371-S448 WeakPolarHBondContact O-CB 3.46Å
372T93.4Very high94.7Very high18 Ų1829.2 Ų29.211%0.1117%0.167CC..SBendtrans-66.6152.3-174.965.70000113.4L369 N374 L375 L376L369-T372 VanDerWaalsContact O-CB 3.28Å; L369-T372 WeakPolarHBondContact O-CB 3.33Å; L369-T372 VanDerWaalsContact O-CG2 3.3Å; L369-T372 WeakPolarHBondContact O-CG2 3.37Å; L369-T372 PolarHBondContact O-N 3.12Å; L369-T372 PolarHBondContact O-OG1 3.41Å; T372-N374 PolarHBondContact O-N 3.02Å; T372-L375 WeakPolarHBondContact O-CB 3.46Å; T372-L375 PolarHBondContact O-N 2.86Å; T372-L375 VanDerWaalsContact O-N 3.07Å; T372-L376 PolarHBondContact O-N 3.2Å
373I94.8Very high94.7Very high0 Ų032.3 Ų32.30%019%0.186CC..Hα-helixtrans-61.1-24.9174.448.5163.9000113.6I314 A318 L375 L376 G377 I444 L447 I454I314-I373 HydrophobicContact CG2-CB 4.43Å; I314-I373 VanDerWaalsContact CG2-O 3.26Å; I314-I373 WeakPolarHBondContact CG2-O 3.3Å; A318-I373 HydrophobicContact CB-CB 4.05Å; A318-I373 HydrophobicContact CB-CD1 3.56Å; A318-I373 HydrophobicContact CB-CG1 3.65Å; I373-L375 VanDerWaalsContact C-N 3.31Å; I373-L375 PolarHBondContact O-N 2.85Å; I373-L376 HydrophobicContact CG2-CD1 4.41Å; I373-L376 PolarHBondContact O-N 3.34Å; I373-G377 PolarHBondContact O-N 3.34Å; I373-G377 VanDerWaalsContact O-N 3.12Å; I373-I444 HydrophobicContact CD1-CG2 4.45Å; I373-I444 HydrophobicContact CG1-CG2 4.11Å; I373-L447 HydrophobicContact CD1-CB 4.17Å; I373-L447 HydrophobicContact CD1-CD1 4.11Å; I373-L447 HydrophobicContact CG2-CB 3.94Å; I373-I454 HydrophobicContact CB-CD1 4.28Å; I373-I454 HydrophobicContact CD1-CD1 4.45Å; I373-I454 HydrophobicContact CG2-CD1 3.89Å
374N95.5Very high94.6Very high1 Ų132.5 Ų32.51%0.00519%0.187CC..Hα-helixtrans-59.3-45.6172.7-83.624.2000110.2A318 T322 A365 A368 T372 L376 G377 E378A318-N374 WeakPolarHBondContact CA-OD1 3.18Å; A318-N374 HydrophobicContact CB-CB 4.5Å; A318-N374 WeakPolarHBondContact CB-OD1 3.3Å; A318-N374 PolarHBondContact O-OD1 3.38Å; T322-N374 PolarHBondContact OG1-ND2 3.08Å; A365-N374 WeakPolarHBondContact O-CB 3.3Å; A365-N374 PolarHBondContact O-ND2 3.49Å; A368-N374 HydrophobicContact CB-CB 4Å; T372-N374 PolarHBondContact O-N 3.02Å; N374-L376 PolarHBondContact O-N 3.45Å; N374-G377 PolarHBondContact O-N 3.41Å; N374-E378 WeakPolarHBondContact O-CG 3.12Å; N374-E378 PolarHBondContact O-N 3.29Å
375L95.3Very high94.6Very high42 Ų4230.5 Ų30.522%0.2218%0.176CC..Hα-helixtrans-64.2-41.9177.5-175.671.9000112.3A368 P370 T372 I373 G377 E378 L379A368-L375 HydrophobicContact CB-CB 4.1Å; A368-L375 HydrophobicContact CB-CD1 4.3Å; A368-L375 WeakPolarHBondContact O-CB 3.04Å; A368-L375 VanDerWaalsContact O-CD1 3.3Å; A368-L375 WeakPolarHBondContact O-CD1 3.44Å; P370-L375 HydrophobicContact CB-CD2 3.58Å; P370-L375 HydrophobicContact CG-CD2 4.25Å; T372-L375 WeakPolarHBondContact O-CB 3.46Å; T372-L375 PolarHBondContact O-N 2.86Å; T372-L375 VanDerWaalsContact O-N 3.07Å; I373-L375 VanDerWaalsContact C-N 3.31Å; I373-L375 PolarHBondContact O-N 2.85Å; L375-G377 VanDerWaalsContact C-N 3.26Å; L375-G377 PolarHBondContact O-N 3.16Å; L375-E378 PolarHBondContact O-N 3.42Å; L375-L379 WeakPolarHBondContact O-CB 3.34Å; L375-L379 PolarHBondContact O-N 3.44Å
376L94.1Very high94.7Very high72 Ų7234.5 Ų34.538%0.37719%0.193SC..Hα-helixtrans-58.1-42.3178.3-69.1174.1000111.4I314 T372 I373 N374 S380 P451I314-L376 HydrophobicContact CG2-CB 4.18Å; T372-L376 PolarHBondContact O-N 3.2Å; I373-L376 HydrophobicContact CG2-CD1 4.41Å; I373-L376 PolarHBondContact O-N 3.34Å; N374-L376 PolarHBondContact O-N 3.45Å; L376-S380 WeakPolarHBondContact O-CB 3.34Å; L376-S380 PolarHBondContact O-N 3.49Å; L376-S380 PolarHBondContact O-OG 3.3Å; L376-P451 HydrophobicContact CD1-CB 3.76Å; L376-P451 HydrophobicContact CD1-CG 4.12Å
377G95Very high94.7Very high0 Ų038.5 Ų38.50%022%0.221CC..Hα-helixtrans-66.8-48.317400000113I373 N374 L375 L379 S380 V381I373-G377 PolarHBondContact O-N 3.34Å; I373-G377 VanDerWaalsContact O-N 3.12Å; N374-G377 PolarHBondContact O-N 3.41Å; L375-G377 VanDerWaalsContact C-N 3.26Å; L375-G377 PolarHBondContact O-N 3.16Å; G377-L379 PolarHBondContact O-N 3.26Å; G377-S380 PolarHBondContact O-OG 2.91Å; G377-V381 VanDerWaalsContact O-CG2 3.32Å; G377-V381 WeakPolarHBondContact O-CG2 3.06Å; G377-V381 PolarHBondContact O-N 2.83Å; G377-V381 VanDerWaalsContact O-N 3.15Å
378E95.8Very high94.7Very high4 Ų441.8 Ų41.82%0.01923%0.232CC..Hα-helixtrans-65.8-41.5-178.3-70-179.5-171.300112.3H293 L296 L315 A368 N374 L375 V381 L382 M400H293-E378 IonicContact CE1-OE1 3.54Å; H293-E378 PolarHBondContact CE1-OE1 3.28Å; H293-E378 IonicContact ND1-OE1 2.73Å; H293-E378 PolarHBondContact ND1-OE1 3.39Å; L296-E378 HydrophobicContact CD1-CG 4.36Å; L315-E378 HydrophobicContact CD1-CB 4.29Å; L315-E378 HydrophobicContact CD1-CG 3.27Å; A368-E378 VanDerWaalsContact CB-CD 3.48Å; A368-E378 HydrophobicContact CB-CG 4.41Å; A368-E378 WeakPolarHBondContact CB-OE2 3.17Å; N374-E378 WeakPolarHBondContact O-CG 3.12Å; N374-E378 PolarHBondContact O-N 3.29Å; L375-E378 PolarHBondContact O-N 3.42Å; E378-V381 PolarHBondContact O-N 3.38Å; E378-L382 VanDerWaalsContact O-CB 3.29Å; E378-L382 WeakPolarHBondContact O-CB 3.35Å; E378-L382 PolarHBondContact O-N 3.02Å; E378-M400 HydrophobicContact CB-SD 4.37Å; E378-M400 WeakPolarHBondContact OE2-CE 3.43Å
379L95.2Very high94.7Very high93 Ų9343.4 Ų43.449%0.48724%0.243SC..Hα-helixtrans-68-40.8-179.1-170.9147.3000111.8L375 G377 L382 V383L375-L379 WeakPolarHBondContact O-CB 3.34Å; L375-L379 PolarHBondContact O-N 3.44Å; G377-L379 PolarHBondContact O-N 3.26Å; L379-L382 PolarHBondContact O-N 3.48Å; L379-V383 HydrophobicContact CD2-CG2 4.02Å; L379-V383 VanDerWaalsContact O-CG2 3.32Å; L379-V383 WeakPolarHBondContact O-CG2 3.45Å; L379-V383 PolarHBondContact O-N 3.45Å
380S94.9Very high94.8Very high8 Ų845.7 Ų45.76%0.05626%0.255CS..Hα-helixtrans-65.1-38.9175.347.90000112.3G311 L376 G377 T384G311-S380 WeakPolarHBondContact CA-OG 3.48Å; L376-S380 WeakPolarHBondContact O-CB 3.34Å; L376-S380 PolarHBondContact O-N 3.49Å; L376-S380 PolarHBondContact O-OG 3.3Å; G377-S380 PolarHBondContact O-OG 2.91Å; S380-T384 VanDerWaalsContact O-CG2 3.26Å; S380-T384 WeakPolarHBondContact O-CG2 3.11Å; S380-T384 PolarHBondContact O-N 2.95Å; S380-T384 VanDerWaalsContact O-N 3.15Å; S380-T384 PolarHBondContact O-OG1 3.01Å
381V96.3Very high95.2Very high0 Ų047.9 Ų47.90%026%0.261CS..Hα-helixtrans-65.3-39171.31760000111.4L296 A300 G377 E378 T384 T385L296-V381 HydrophobicContact CB-CG1 4.31Å; L296-V381 HydrophobicContact CD2-CG1 4.05Å; A300-V381 HydrophobicContact CB-CB 4.4Å; A300-V381 HydrophobicContact CB-CG1 3.98Å; A300-V381 HydrophobicContact CB-CG2 3.63Å; G377-V381 VanDerWaalsContact O-CG2 3.32Å; G377-V381 WeakPolarHBondContact O-CG2 3.06Å; G377-V381 PolarHBondContact O-N 2.83Å; G377-V381 VanDerWaalsContact O-N 3.15Å; E378-V381 PolarHBondContact O-N 3.38Å; V381-T384 WeakPolarHBondContact CA-OG1 3.47Å; V381-T384 PolarHBondContact O-N 3.34Å; V381-T384 PolarHBondContact O-OG1 2.72Å; V381-T385 HydrophobicContact CG1-CG2 4.14Å; V381-T385 WeakPolarHBondContact O-CB 3.29Å; V381-T385 VanDerWaalsContact O-CG2 3.27Å; V381-T385 WeakPolarHBondContact O-CG2 3.28Å; V381-T385 PolarHBondContact O-N 3.01Å; V381-T385 PolarHBondContact O-OG1 3.07Å
382L96.1Very high95.6Very high41 Ų4143.1 Ų43.122%0.21523%0.23CC..Hα-helixtrans-66.7-43.8179.1-164.8156.6000111.9E378 L379 T384 T385 F386 L393 M400E378-L382 VanDerWaalsContact O-CB 3.29Å; E378-L382 WeakPolarHBondContact O-CB 3.35Å; E378-L382 PolarHBondContact O-N 3.02Å; L379-L382 PolarHBondContact O-N 3.48Å; L382-T384 VanDerWaalsContact C-N 3.32Å; L382-T384 PolarHBondContact O-N 3.05Å; L382-T385 WeakPolarHBondContact CA-OG1 3.28Å; L382-T385 PolarHBondContact O-OG1 2.88Å; L382-F386 VanDerWaalsContact O-CB 3.28Å; L382-F386 WeakPolarHBondContact O-CB 3.47Å; L382-F386 PolarHBondContact O-N 3.23Å; L382-L393 HydrophobicContact CD2-CD1 3.47Å; L382-L393 VanDerWaalsContact CD2-CD1 3.47Å; L382-L393 HydrophobicContact CG-CD1 4.37Å; L382-M400 HydrophobicContact CD1-CG 4.38Å
383V96.2Very high95.7Very high65 Ų6545.9 Ų45.939%0.39424%0.244SC..Hα-helixtrans-62.2-39.9176.1171.10000111.5L379 F386 S387L379-V383 HydrophobicContact CD2-CG2 4.02Å; L379-V383 VanDerWaalsContact O-CG2 3.32Å; L379-V383 WeakPolarHBondContact O-CG2 3.45Å; L379-V383 PolarHBondContact O-N 3.45Å; V383-F386 PolarHBondContact O-N 3.19Å; V383-S387 PolarHBondContact O-N 3.44Å
384T96.1Very high95.7Very high4 Ų451.5 Ų51.53%0.02527%0.273CS..Hα-helixtrans-78.8-33.2-177.652.30000113.5T305 W307 S308 S380 V381 L382 F386 S387 W388T305-T384 WeakPolarHBondContact OG1-CG2 3.16Å; W307-T384 HydrophobicContact CB-CG2 3.3Å; S308-T384 WeakPolarHBondContact CB-OG1 3.14Å; S380-T384 VanDerWaalsContact O-CG2 3.26Å; S380-T384 WeakPolarHBondContact O-CG2 3.11Å; S380-T384 PolarHBondContact O-N 2.95Å; S380-T384 VanDerWaalsContact O-N 3.15Å; S380-T384 PolarHBondContact O-OG1 3.01Å; V381-T384 WeakPolarHBondContact CA-OG1 3.47Å; V381-T384 PolarHBondContact O-N 3.34Å; V381-T384 PolarHBondContact O-OG1 2.72Å; L382-T384 VanDerWaalsContact C-N 3.32Å; L382-T384 PolarHBondContact O-N 3.05Å; T384-F386 VanDerWaalsContact C-N 3.34Å; T384-S387 WeakPolarHBondContact CA-OG 3.24Å; T384-S387 PolarHBondContact O-OG 3.14Å; T384-W388 WeakPolarHBondContact O-CB 2.88Å; T384-W388 PolarHBondContact O-N 3.38Å
385T96.3Very high95.8Very high1 Ų153.5 Ų53.51%0.00628%0.284CS..Hα-helixtrans-68-37.1169.950.60000111.1I303 V381 L382 W388 S389 T392I303-T385 HydrophobicContact CD1-CG2 3.55Å; V381-T385 HydrophobicContact CG1-CG2 4.14Å; V381-T385 WeakPolarHBondContact O-CB 3.29Å; V381-T385 VanDerWaalsContact O-CG2 3.27Å; V381-T385 WeakPolarHBondContact O-CG2 3.28Å; V381-T385 PolarHBondContact O-N 3.01Å; V381-T385 PolarHBondContact O-OG1 3.07Å; L382-T385 WeakPolarHBondContact CA-OG1 3.28Å; L382-T385 PolarHBondContact O-OG1 2.88Å; T385-W388 PolarHBondContact O-N 2.95Å; T385-S389 PolarHBondContact O-N 3.07Å; T385-T392 PolarHBondContact O-OG1 2.8Å
386F96.9Very high95.8Very high86 Ų8651.6 Ų51.638%0.37727%0.274SS..Hα-helixtrans-63.7-45173.7177-113.2000111.6L382 V383 T384 W388 S389 N390 T392 L393L382-F386 VanDerWaalsContact O-CB 3.28Å; L382-F386 WeakPolarHBondContact O-CB 3.47Å; L382-F386 PolarHBondContact O-N 3.23Å; V383-F386 PolarHBondContact O-N 3.19Å; T384-F386 VanDerWaalsContact C-N 3.34Å; F386-W388 VanDerWaalsContact C-N 3.27Å; F386-W388 PolarHBondContact O-N 3.49Å; F386-S389 CarbonylContact O-C 3.59Å; F386-S389 PolarHBondContact O-N 3.43Å; F386-N390 HydrophobicContact CD2-CB 4.42Å; F386-N390 HydrophobicContact CE2-CB 3.99Å; F386-N390 PolarHBondContact O-N 2.95Å; F386-N390 PolarHBondContact O-OD1 2.89Å; F386-T392 PolarHBondContact N-OG1 3.17Å; F386-L393 HydrophobicContact CD2-CB 3.88Å; F386-L393 HydrophobicContact CD2-CD2 4.07Å; F386-L393 HydrophobicContact CD2-CG 4.43Å; F386-L393 HydrophobicContact CE2-CB 4.49Å; F386-L393 HydrophobicContact CE2-CD2 4.04Å
387S96.6Very high95.8Very high85 Ų8549.7 Ų49.759%0.59427%0.272SS*.Hα-helixtrans-66-30.117672.10000112.9V383 T384V383-S387 PolarHBondContact O-N 3.44Å; T384-S387 WeakPolarHBondContact CA-OG 3.24Å; T384-S387 PolarHBondContact O-OG 3.14Å
388W95.7Very high95.9Very high95 Ų9553.4 Ų53.436%0.3629%0.291SS..Hα-helixtrans-68.7-46.1173.4-177.883.4000112.4Y259 L262 I303 T384 T385 F386 T392Y259-W388 HydrophobicContact CD1-CH2 4.06Å; Y259-W388 AromaticContact CD1-CZ2 3.91Å; Y259-W388 HydrophobicContact CD1-CZ2 3.91Å; Y259-W388 AromaticContact CE1-CH2 3.88Å; Y259-W388 HydrophobicContact CE1-CH2 3.88Å; Y259-W388 AromaticContact CE1-CZ2 3.47Å; Y259-W388 HydrophobicContact CE1-CZ2 3.47Å; Y259-W388 VanDerWaalsContact CE1-CZ2 3.47Å; L262-W388 HydrophobicContact CD1-CH2 4.13Å; L262-W388 HydrophobicContact CD1-CZ2 3.69Å; I303-W388 HydrophobicContact CD1-CB 4.01Å; I303-W388 HydrophobicContact CD1-CG 4.11Å; I303-W388 HydrophobicContact CG1-CB 4.29Å; I303-W388 HydrophobicContact CG1-CD2 4.43Å; I303-W388 HydrophobicContact CG1-CG 3.98Å; I303-W388 HydrophobicContact CG2-CB 4.14Å; I303-W388 HydrophobicContact CG2-CG 4.31Å; T384-W388 WeakPolarHBondContact O-CB 2.88Å; T384-W388 PolarHBondContact O-N 3.38Å; T385-W388 PolarHBondContact O-N 2.95Å; F386-W388 VanDerWaalsContact C-N 3.27Å; F386-W388 PolarHBondContact O-N 3.49Å; W388-T392 HydrophobicContact CE3-CG2 3.95Å; W388-T392 HydrophobicContact CZ3-CG2 4.11Å
389S95.9Very high96Very high39 Ų3953.2 Ų53.227%0.27329%0.291SS..  trans-159.2133168.476.20000111.5T385 F386 I391 T392T385-S389 PolarHBondContact O-N 3.07Å; F386-S389 CarbonylContact O-C 3.59Å; F386-S389 PolarHBondContact O-N 3.43Å; S389-I391 PolarHBondContact O-N 3.13Å; S389-T392 PolarHBondContact O-N 3.37Å; S389-T392 VanDerWaalsContact O-N 3.09Å; S389-T392 PolarHBondContact O-OG1 3.14Å; S389-T392 WeakPolarHBondContact OG-CG2 3.29Å
390N95.8Very high96Very high116 Ų11651.1 Ų51.162%0.6228%0.279SS*.THydrogen-bonded Turntrans-58.3-27.9-174.8-64.6-5000114.5F386 T392 L393F386-N390 HydrophobicContact CD2-CB 4.42Å; F386-N390 HydrophobicContact CE2-CB 3.99Å; F386-N390 PolarHBondContact O-N 2.95Å; F386-N390 PolarHBondContact O-OD1 2.89Å; N390-T392 VanDerWaalsContact C-N 3.27Å; N390-T392 PolarHBondContact O-N 3.43Å; N390-L393 WeakPolarHBondContact O-CB 3.05Å; N390-L393 PolarHBondContact O-N 3.18Å
391I95.8Very high96.1Very high132 Ų13255.7 Ų55.768%0.67730%0.302SS*.THydrogen-bonded Turntrans-67-28.2-178.3-62.8170.7000111.7S389 L393 L394S389-I391 PolarHBondContact O-N 3.13Å; I391-L393 PolarHBondContact O-N 3.12Å; I391-L393 VanDerWaalsContact O-N 3.17Å; I391-L394 WeakPolarHBondContact O-CB 3.39Å; I391-L394 PolarHBondContact O-N 3.4Å; I391-L394 VanDerWaalsContact O-N 3.11Å
392T96Very high96.1Very high4 Ų456.6 Ų56.63%0.02531%0.308CS..Hα-helixtrans-62.2-25.8-179590000112.3L266 T385 F386 W388 S389 N390 L394 L395 T396L266-T392 HydrophobicContact CD1-CG2 3.93Å; T385-T392 PolarHBondContact O-OG1 2.8Å; F386-T392 PolarHBondContact N-OG1 3.17Å; W388-T392 HydrophobicContact CE3-CG2 3.95Å; W388-T392 HydrophobicContact CZ3-CG2 4.11Å; S389-T392 PolarHBondContact O-N 3.37Å; S389-T392 VanDerWaalsContact O-N 3.09Å; S389-T392 PolarHBondContact O-OG1 3.14Å; S389-T392 WeakPolarHBondContact OG-CG2 3.29Å; N390-T392 VanDerWaalsContact C-N 3.27Å; N390-T392 PolarHBondContact O-N 3.43Å; T392-L394 PolarHBondContact O-N 2.67Å; T392-L395 PolarHBondContact O-N 2.86Å; T392-T396 PolarHBondContact O-N 3.27Å; T392-T396 PolarHBondContact O-OG1 3.41Å
393L95.3Very high96.2Very high76 Ų7654.7 Ų54.740%0.39830%0.298SS..Hα-helixtrans-57.6-35.9176.6-177.165.4000112.1L382 F386 N390 I391 T396 G397L382-L393 HydrophobicContact CD2-CD1 3.47Å; L382-L393 VanDerWaalsContact CD2-CD1 3.47Å; L382-L393 HydrophobicContact CG-CD1 4.37Å; F386-L393 HydrophobicContact CD2-CB 3.88Å; F386-L393 HydrophobicContact CD2-CD2 4.07Å; F386-L393 HydrophobicContact CD2-CG 4.43Å; F386-L393 HydrophobicContact CE2-CB 4.49Å; F386-L393 HydrophobicContact CE2-CD2 4.04Å; N390-L393 WeakPolarHBondContact O-CB 3.05Å; N390-L393 PolarHBondContact O-N 3.18Å; I391-L393 PolarHBondContact O-N 3.12Å; I391-L393 VanDerWaalsContact O-N 3.17Å; L393-T396 WeakPolarHBondContact CA-OG1 3.21Å; L393-T396 PolarHBondContact O-OG1 3.45Å; L393-G397 WeakPolarHBondContact O-CA 3.48Å; L393-G397 PolarHBondContact O-N 2.95Å
394L96.2Very high96.3Very high117 Ų11753.1 Ų53.161%0.61329%0.291SS*.Hα-helixtrans-64.3-45.5175.3-177.668.9000110.7I391 T392 L398I391-L394 WeakPolarHBondContact O-CB 3.39Å; I391-L394 PolarHBondContact O-N 3.4Å; I391-L394 VanDerWaalsContact O-N 3.11Å; T392-L394 PolarHBondContact O-N 2.67Å; L394-L398 HydrophobicContact CD1-CD1 4.38Å; L394-L398 HydrophobicContact CG-CD1 4.15Å; L394-L398 VanDerWaalsContact O-CB 3.31Å; L394-L398 WeakPolarHBondContact O-CB 3.42Å; L394-L398 WeakPolarHBondContact O-CD1 3.42Å; L394-L398 WeakPolarHBondContact O-CG 3.09Å; L394-L398 PolarHBondContact O-N 3.46Å
395L96.3Very high96.4Very high43 Ų4357.3 Ų57.323%0.22531%0.313CS..Hα-helixtrans-70.2-46.1-177.3-63173.7000111.8L266 I270 T392 L398 N399L266-L395 HydrophobicContact CB-CD1 4.04Å; L266-L395 HydrophobicContact CD1-CD1 4.42Å; I270-L395 HydrophobicContact CD1-CB 4.07Å; I270-L395 HydrophobicContact CD1-CD2 3.55Å; I270-L395 HydrophobicContact CD1-CG 4.42Å; T392-L395 PolarHBondContact O-N 2.86Å; L395-L398 PolarHBondContact O-N 3.38Å; L395-N399 PolarHBondContact O-N 2.7Å
396T95.1Very high96.4Very high2 Ų257.2 Ų57.21%0.01231%0.313CS..Hα-helixtrans-69.5-38.8178.155.50000111.2L266 M269 L296 T392 L393 N399 M400L266-T396 HydrophobicContact CD2-CG2 4.27Å; M269-T396 HydrophobicContact SD-CG2 4.47Å; L296-T396 HydrophobicContact CD2-CG2 4.42Å; T392-T396 PolarHBondContact O-N 3.27Å; T392-T396 PolarHBondContact O-OG1 3.41Å; L393-T396 WeakPolarHBondContact CA-OG1 3.21Å; L393-T396 PolarHBondContact O-OG1 3.45Å; T396-N399 WeakPolarHBondContact O-CB 3.42Å; T396-N399 PolarHBondContact O-N 2.99Å; T396-M400 WeakPolarHBondContact O-CG 3.36Å; T396-M400 PolarHBondContact O-N 3.3Å
397G95.3Very high96.4Very high33 Ų3353.1 Ų53.134%0.3430%0.295SS..Hα-helixtrans-63-42.1173.300000113.2L393 N399 M400 L401L393-G397 WeakPolarHBondContact O-CA 3.48Å; L393-G397 PolarHBondContact O-N 2.95Å; G397-N399 VanDerWaalsContact C-N 3.34Å; G397-M400 PolarHBondContact O-N 3.42Å; G397-L401 PolarHBondContact O-N 3.13Å; G397-L401 VanDerWaalsContact O-N 3.11Å
398L96.6Very high96.4Very high77 Ų7752.9 Ų52.940%0.40329%0.286SS..Hα-helixtrans-62.2-41.7171.8-77.7168.7000111.6I270 L394 L395 M400 L401 V402I270-L398 HydrophobicContact CD1-CB 4.49Å; L394-L398 HydrophobicContact CD1-CD1 4.38Å; L394-L398 HydrophobicContact CG-CD1 4.15Å; L394-L398 VanDerWaalsContact O-CB 3.31Å; L394-L398 WeakPolarHBondContact O-CB 3.42Å; L394-L398 WeakPolarHBondContact O-CD1 3.42Å; L394-L398 WeakPolarHBondContact O-CG 3.09Å; L394-L398 PolarHBondContact O-N 3.46Å; L395-L398 PolarHBondContact O-N 3.38Å; L398-M400 PolarHBondContact O-N 2.71Å; L398-L401 PolarHBondContact O-N 3.19Å; L398-V402 WeakPolarHBondContact O-CG2 3.46Å; L398-V402 PolarHBondContact O-N 3.05Å
399N96.9Very high96.5Very high1 Ų152.2 Ų52.21%0.00528%0.284CS..Hα-helixtrans-60-46.3176-175.847.6000111.4M269 I270 S273 L395 T396 G397 L401 V402 T403M269-N399 HydrophobicContact CG-CB 4.18Å; M269-N399 PolarHBondContact O-OD1 3.29Å; M269-N399 HydrophobicContact SD-CB 3.99Å; I270-N399 HydrophobicContact CG1-CB 4.44Å; S273-N399 PolarHBondContact OG-OD1 2.96Å; L395-N399 PolarHBondContact O-N 2.7Å; T396-N399 WeakPolarHBondContact O-CB 3.42Å; T396-N399 PolarHBondContact O-N 2.99Å; G397-N399 VanDerWaalsContact C-N 3.34Å; N399-L401 VanDerWaalsContact C-N 3.27Å; N399-L401 PolarHBondContact O-N 3.42Å; N399-V402 PolarHBondContact O-N 3Å; N399-V402 VanDerWaalsContact O-N 3.16Å; N399-T403 WeakPolarHBondContact O-CG2 3.4Å; N399-T403 PolarHBondContact O-N 3.02Å; N399-T403 PolarHBondContact O-OG1 3.05Å
400M95.4Very high96.5Very high49 Ų4950.4 Ų50.424%0.24127%0.271CS..Hα-helixtrans-57.9-38.6175.9-67.1-62.1-67.500112.8A368 E378 L382 T396 G397 L398 T403 A404A368-M400 HydrophobicContact CB-CE 4.42Å; E378-M400 HydrophobicContact CB-SD 4.37Å; E378-M400 WeakPolarHBondContact OE2-CE 3.43Å; L382-M400 HydrophobicContact CD1-CG 4.38Å; T396-M400 WeakPolarHBondContact O-CG 3.36Å; T396-M400 PolarHBondContact O-N 3.3Å; G397-M400 PolarHBondContact O-N 3.42Å; L398-M400 PolarHBondContact O-N 2.71Å; M400-T403 WeakPolarHBondContact CA-OG1 3.28Å; M400-T403 PolarHBondContact O-OG1 3.29Å; M400-A404 PolarHBondContact O-N 2.74Å; M400-A404 VanDerWaalsContact O-N 3.14Å
401L96.9Very high96.6Very high103 Ų10345.3 Ų45.354%0.53924%0.244SC..Hα-helixtrans-66.3-47.1176-178.9141000111G397 L398 N399 T403 A404 L405G397-L401 PolarHBondContact O-N 3.13Å; G397-L401 VanDerWaalsContact O-N 3.11Å; L398-L401 PolarHBondContact O-N 3.19Å; N399-L401 VanDerWaalsContact C-N 3.27Å; N399-L401 PolarHBondContact O-N 3.42Å; L401-T403 VanDerWaalsContact C-N 3.32Å; L401-T403 PolarHBondContact O-N 2.97Å; L401-A404 PolarHBondContact O-N 3.22Å; L401-L405 HydrophobicContact CD2-CD1 3.69Å; L401-L405 HydrophobicContact CD2-CG 4.42Å; L401-L405 WeakPolarHBondContact O-CG 3.16Å; L401-L405 PolarHBondContact O-N 3.13Å
402V97.7Very high96.6Very high20 Ų2041.2 Ų41.212%0.12123%0.225CC..Hα-helixtrans-67.9-33.2179.1-176.40000111.3S273 L277 L398 N399 L405 Y406S273-V402 VanDerWaalsContact C-CG1 3.48Å; S273-V402 WeakPolarHBondContact OG-CG1 3.25Å; L277-V402 HydrophobicContact CD1-CG1 4Å; L277-V402 HydrophobicContact CG-CG1 4.39Å; L398-V402 WeakPolarHBondContact O-CG2 3.46Å; L398-V402 PolarHBondContact O-N 3.05Å; N399-V402 PolarHBondContact O-N 3Å; N399-V402 VanDerWaalsContact O-N 3.16Å; V402-L405 PolarHBondContact O-N 2.98Å; V402-Y406 HydrophobicContact CG1-CD1 4.49Å; V402-Y406 WeakPolarHBondContact O-CD1 3.38Å; V402-Y406 PolarHBondContact O-N 3.24Å
403T97.6Very high96.6Very high1 Ų142 Ų421%0.00623%0.23CC..Hα-helixtrans-64.2-42.3175.564.20000112.6N399 M400 L401 Y406 S407N399-T403 WeakPolarHBondContact O-CG2 3.4Å; N399-T403 PolarHBondContact O-N 3.02Å; N399-T403 PolarHBondContact O-OG1 3.05Å; M400-T403 WeakPolarHBondContact CA-OG1 3.28Å; M400-T403 PolarHBondContact O-OG1 3.29Å; L401-T403 VanDerWaalsContact C-N 3.32Å; L401-T403 PolarHBondContact O-N 2.97Å; T403-Y406 HydrophobicContact CG2-CE1 3.78Å; T403-Y406 WeakPolarHBondContact CG2-OH 3.21Å; T403-S407 VanDerWaalsContact O-CB 3.31Å; T403-S407 WeakPolarHBondContact O-CB 3.31Å; T403-S407 PolarHBondContact O-N 3.02Å; T403-S407 VanDerWaalsContact O-N 3.08Å; T403-S407 PolarHBondContact O-OG 2.89Å; T403-S407 VanDerWaalsContact O-OG 3.12Å
404A97.4Very high96.6Very high31 Ų3138.3 Ų38.326%0.25621%0.211SC..Hα-helixtrans-63-41.1171.900000112.1L367 M400 L401 S407 L408L367-A404 HydrophobicContact CB-CB 4.5Å; M400-A404 PolarHBondContact O-N 2.74Å; M400-A404 VanDerWaalsContact O-N 3.14Å; L401-A404 PolarHBondContact O-N 3.22Å; A404-S407 PolarHBondContact O-OG 3.12Å; A404-L408 WeakPolarHBondContact O-CB 3.33Å; A404-L408 WeakPolarHBondContact O-CG 3.27Å; A404-L408 PolarHBondContact O-N 3.13Å; A404-L408 VanDerWaalsContact O-N 3.11Å
405L97.9Very high96.6Very high92 Ų9232.9 Ų32.948%0.48218%0.182SC..Hα-helixtrans-63.4-49.2179.1-70.5174.5000112L277 L401 V402 Y409L277-L405 HydrophobicContact CD2-CB 3.83Å; L401-L405 HydrophobicContact CD2-CD1 3.69Å; L401-L405 HydrophobicContact CD2-CG 4.42Å; L401-L405 WeakPolarHBondContact O-CG 3.16Å; L401-L405 PolarHBondContact O-N 3.13Å; V402-L405 PolarHBondContact O-N 2.98Å; L405-Y409 WeakPolarHBondContact O-CB 3.39Å; L405-Y409 PolarHBondContact O-N 2.68Å
406Y97.5Very high96.5Very high0 Ų037.5 Ų37.50%020%0.196CC..Hα-helixtrans-72.7-30.9-178.375.1-117.3000112.8C276 L285 H293 V402 T403 Y409 M410C276-Y406 HydrophobicContact CB-CD1 3.69Å; C276-Y406 HydrophobicContact CB-CD2 4.17Å; C276-Y406 HydrophobicContact CB-CE1 4.36Å; C276-Y406 HydrophobicContact CB-CG 3.61Å; L285-Y406 HydrophobicContact CD2-CD2 4.3Å; H293-Y406 PolarHBondContact NE2-OH 2.91Å; V402-Y406 HydrophobicContact CG1-CD1 4.49Å; V402-Y406 WeakPolarHBondContact O-CD1 3.38Å; V402-Y406 PolarHBondContact O-N 3.24Å; T403-Y406 HydrophobicContact CG2-CE1 3.78Å; T403-Y406 WeakPolarHBondContact CG2-OH 3.21Å; Y406-Y409 PolarHBondContact O-N 2.89Å; Y406-M410 VanDerWaalsContact O-CB 3.31Å; Y406-M410 WeakPolarHBondContact O-CB 3.43Å; Y406-M410 PolarHBondContact O-N 2.95Å
407S97.6Very high96.2Very high0 Ų040.2 Ų40.20%023%0.225CC..Hα-helixtrans-70.3-41.9179.768.70000111L367 T403 A404 M410 F411L367-S407 WeakPolarHBondContact CB-OG 3.41Å; L367-S407 WeakPolarHBondContact CD2-OG 3.42Å; T403-S407 VanDerWaalsContact O-CB 3.31Å; T403-S407 WeakPolarHBondContact O-CB 3.31Å; T403-S407 PolarHBondContact O-N 3.02Å; T403-S407 VanDerWaalsContact O-N 3.08Å; T403-S407 PolarHBondContact O-OG 2.89Å; T403-S407 VanDerWaalsContact O-OG 3.12Å; A404-S407 PolarHBondContact O-OG 3.12Å; S407-M410 PolarHBondContact O-N 3.22Å; S407-F411 PolarHBondContact O-N 2.84Å
408L96.6Very high95.9Very high80 Ų8042.8 Ų42.842%0.41924%0.238SC..Hα-helixtrans-71.4-36.2174.3-67.6173.3000111L367 A404 F411 T412L367-L408 HydrophobicContact CD2-CD2 4.17Å; L367-L408 HydrophobicContact CD2-CG 4.18Å; A404-L408 WeakPolarHBondContact O-CB 3.33Å; A404-L408 WeakPolarHBondContact O-CG 3.27Å; A404-L408 PolarHBondContact O-N 3.13Å; A404-L408 VanDerWaalsContact O-N 3.11Å; L408-F411 PolarHBondContact O-N 2.78Å; L408-T412 WeakPolarHBondContact O-CB 3.18Å; L408-T412 VanDerWaalsContact O-CG2 3.25Å; L408-T412 WeakPolarHBondContact O-CG2 3.35Å; L408-T412 PolarHBondContact O-N 3.18Å; L408-T412 PolarHBondContact O-OG1 3.22Å
409Y96.8Very high95.5Very high81 Ų8142 Ų4232%0.31823%0.234SC..Hα-helixtrans-59.6-46.4171.7175.8-114.9000111.7L277 M342 L405 Y406 F411 T412 T413L277-Y409 WeakPolarHBondContact O-CE1 3.39Å; M342-Y409 HydrophobicContact CE-CD1 3.99Å; M342-Y409 HydrophobicContact CE-CE1 3.3Å; L405-Y409 WeakPolarHBondContact O-CB 3.39Å; L405-Y409 PolarHBondContact O-N 2.68Å; Y406-Y409 PolarHBondContact O-N 2.89Å; Y409-F411 VanDerWaalsContact C-N 3.34Å; Y409-F411 PolarHBondContact O-N 3.24Å; Y409-T412 WeakPolarHBondContact CA-OG1 3.13Å; Y409-T412 PolarHBondContact O-N 3.28Å; Y409-T412 PolarHBondContact O-OG1 3.49Å; Y409-T413 HydrophobicContact CD2-CG2 3.65Å; Y409-T413 HydrophobicContact CE1-CG2 4.43Å; Y409-T413 HydrophobicContact CE2-CG2 3.28Å; Y409-T413 HydrophobicContact CG-CG2 4.34Å; Y409-T413 WeakPolarHBondContact O-CB 3.2Å; Y409-T413 VanDerWaalsContact O-CG2 3.29Å; Y409-T413 WeakPolarHBondContact O-CG2 3.39Å; Y409-T413 PolarHBondContact O-N 3.09Å; Y409-T413 PolarHBondContact O-OG1 3.21Å
410M96.8Very high95.1Very high0 Ų043.6 Ų43.60%024%0.244CC..Hα-helixtrans-59.1-43.5174.6179-145.7-64.900111.7L285 I286 L326 W359 Y406 S407 T413 T414L285-M410 HydrophobicContact CD1-CB 4.47Å; L285-M410 HydrophobicContact CD2-CB 4.29Å; L285-M410 HydrophobicContact CD2-CE 3.37Å; L285-M410 HydrophobicContact CD2-CG 4.35Å; I286-M410 HydrophobicContact CG1-CE 4.28Å; L326-M410 HydrophobicContact CD1-CE 4.28Å; L326-M410 HydrophobicContact CD2-CE 4.34Å; L326-M410 HydrophobicContact CD2-SD 3.86Å; W359-M410 HydrophobicContact CE3-SD 4.35Å; W359-M410 HydrophobicContact CZ3-CG 4Å; W359-M410 HydrophobicContact CZ3-SD 3.62Å; Y406-M410 VanDerWaalsContact O-CB 3.31Å; Y406-M410 WeakPolarHBondContact O-CB 3.43Å; Y406-M410 PolarHBondContact O-N 2.95Å; S407-M410 PolarHBondContact O-N 3.22Å; M410-T413 PolarHBondContact O-OG1 2.98Å; M410-T414 WeakPolarHBondContact O-CB 3.44Å; M410-T414 VanDerWaalsContact O-CG2 3.26Å; M410-T414 WeakPolarHBondContact O-CG2 3.35Å; M410-T414 PolarHBondContact O-N 3.33Å; M410-T414 PolarHBondContact O-OG1 3.29Å
411F97.2Very high94.4Very high10 Ų1049 Ų494%0.04427%0.268CS..Hα-helixtrans-66.7-50.6178.2178.3-102.1000112.2W359 L360 S407 L408 Y409 T414 Q415 W416W359-F411 HydrophobicContact CB-CD2 3.99Å; W359-F411 HydrophobicContact CB-CE2 4.03Å; L360-F411 HydrophobicContact CB-CD2 4.44Å; L360-F411 HydrophobicContact CB-CE2 3.68Å; L360-F411 HydrophobicContact CB-CZ 4Å; L360-F411 HydrophobicContact CD1-CE1 4Å; L360-F411 HydrophobicContact CD1-CE2 4.07Å; L360-F411 HydrophobicContact CD1-CZ 3.77Å; L360-F411 HydrophobicContact CG-CZ 4.45Å; S407-F411 PolarHBondContact O-N 2.84Å; L408-F411 PolarHBondContact O-N 2.78Å; Y409-F411 VanDerWaalsContact C-N 3.34Å; Y409-F411 PolarHBondContact O-N 3.24Å; F411-T414 PolarHBondContact O-N 3.19Å; F411-T414 PolarHBondContact O-OG1 3.45Å; F411-Q415 HydrophobicContact CD2-CB 4.28Å; F411-Q415 HydrophobicContact CD2-CG 3.75Å; F411-Q415 HydrophobicContact CE2-CB 3.93Å; F411-Q415 HydrophobicContact CE2-CG 3.58Å; F411-Q415 HydrophobicContact CZ-CB 4.09Å; F411-Q415 HydrophobicContact CZ-CG 4.26Å; F411-Q415 WeakPolarHBondContact O-CB 3.24Å; F411-Q415 PolarHBondContact O-N 2.89Å; F411-W416 HydrophobicContact CE1-CD2 4.34Å; F411-W416 AromaticContact CE1-CE2 3.65Å; F411-W416 AromaticContact CE1-CZ2 3.9Å; F411-W416 HydrophobicContact CE1-CZ2 3.9Å; F411-W416 AromaticContact CE1-NE1 3.52Å; F411-W416 AromaticContact CZ-NE1 3.95Å
412T96.3Very high93.9Very high45 Ų4552.9 Ų52.928%0.27628%0.283SS..Hα-helixtrans-65.2-42.8-176.852.70000112.1L408 Y409 T414 W416L408-T412 WeakPolarHBondContact O-CB 3.18Å; L408-T412 VanDerWaalsContact O-CG2 3.25Å; L408-T412 WeakPolarHBondContact O-CG2 3.35Å; L408-T412 PolarHBondContact O-N 3.18Å; L408-T412 PolarHBondContact O-OG1 3.22Å; Y409-T412 WeakPolarHBondContact CA-OG1 3.13Å; Y409-T412 PolarHBondContact O-N 3.28Å; Y409-T412 PolarHBondContact O-OG1 3.49Å; T412-T414 VanDerWaalsContact C-N 3.31Å; T412-T414 PolarHBondContact O-N 3.09Å; T412-W416 HydrophobicContact CG2-CD2 4.21Å; T412-W416 HydrophobicContact CG2-CE3 3.6Å; T412-W416 HydrophobicContact CG2-CZ3 3.94Å; T412-W416 CarbonylContact O-C 3.23Å; T412-W416 WeakPolarHBondContact O-CA 3.28Å; T412-W416 WeakPolarHBondContact O-CB 3.23Å; T412-W416 PolarHBondContact O-N 3.19Å
413T95.7Very high93.3Very high20 Ų2054.2 Ų54.212%0.12329%0.289CS..Hα-helixtrans-67.2-30.217852.70000113.3M342 Q346 Y409 M410M342-T413 HydrophobicContact CE-CG2 4.31Å; M342-T413 WeakPolarHBondContact CG-OG1 3.46Å; M342-T413 PolarHBondContact SD-OG1 3.26Å; Q346-T413 VanDerWaalsContact CG-O 3.24Å; Q346-T413 WeakPolarHBondContact CG-O 3.5Å; Y409-T413 HydrophobicContact CD2-CG2 3.65Å; Y409-T413 HydrophobicContact CE1-CG2 4.43Å; Y409-T413 HydrophobicContact CE2-CG2 3.28Å; Y409-T413 HydrophobicContact CG-CG2 4.34Å; Y409-T413 WeakPolarHBondContact O-CB 3.2Å; Y409-T413 VanDerWaalsContact O-CG2 3.29Å; Y409-T413 WeakPolarHBondContact O-CG2 3.39Å; Y409-T413 PolarHBondContact O-N 3.09Å; Y409-T413 PolarHBondContact O-OG1 3.21Å; M410-T413 PolarHBondContact O-OG1 2.98Å
414T95.2Very high92.4Very high0 Ų060.6 Ų60.60%032%0.323CS..Hα-helixtrans-91-40.7-178.959.20000113.1L282 M342 S345 L348 M410 F411 T412L282-T414 HydrophobicContact CD1-CG2 3.47Å; L282-T414 VanDerWaalsContact CD1-CG2 3.47Å; M342-T414 HydrophobicContact CG-CG2 3.76Å; M342-T414 HydrophobicContact SD-CG2 4.4Å; S345-T414 CarbonylContact O-C 3.25Å; S345-T414 WeakPolarHBondContact O-CA 3.26Å; L348-T414 WeakPolarHBondContact CB-O 3.32Å; L348-T414 WeakPolarHBondContact CG-O 3.31Å; L348-T414 PolarHBondContact N-O 3.21Å; M410-T414 WeakPolarHBondContact O-CB 3.44Å; M410-T414 VanDerWaalsContact O-CG2 3.26Å; M410-T414 WeakPolarHBondContact O-CG2 3.35Å; M410-T414 PolarHBondContact O-N 3.33Å; M410-T414 PolarHBondContact O-OG1 3.29Å; F411-T414 PolarHBondContact O-N 3.19Å; F411-T414 PolarHBondContact O-OG1 3.45Å; T412-T414 VanDerWaalsContact C-N 3.31Å; T412-T414 PolarHBondContact O-N 3.09Å
415Q96Very high91.3Very high2 Ų265.7 Ų65.71%0.00935%0.346CS..Hα-helixtrans-98.8-36.9-171.4-56.9-47.7-58.500113G347 L348 Q349 A356 W359 F411G347-Q415 CarbonylContact C-O 3.54Å; G347-Q415 VanDerWaalsContact C-O 3.25Å; G347-Q415 WeakPolarHBondContact CA-O 3.33Å; L348-Q415 PolarHBondContact N-O 3.38Å; Q349-Q415 HydrophobicContact CB-CB 4.36Å; Q349-Q415 VanDerWaalsContact CB-O 3.24Å; Q349-Q415 WeakPolarHBondContact CB-O 3.28Å; Q349-Q415 PolarHBondContact N-O 3.22Å; A356-Q415 HydrophobicContact CB-CG 4.37Å; W359-Q415 HydrophobicContact CB-CG 3.8Å; W359-Q415 HydrophobicContact CG-CG 4Å; F411-Q415 HydrophobicContact CD2-CB 4.28Å; F411-Q415 HydrophobicContact CD2-CG 3.75Å; F411-Q415 HydrophobicContact CE2-CB 3.93Å; F411-Q415 HydrophobicContact CE2-CG 3.58Å; F411-Q415 HydrophobicContact CZ-CB 4.09Å; F411-Q415 HydrophobicContact CZ-CG 4.26Å; F411-Q415 WeakPolarHBondContact O-CB 3.24Å; F411-Q415 PolarHBondContact O-N 2.89Å
416W93.3Very high90.8Very high140 Ų14063 Ų6353%0.5333%0.332SS..SBendtrans-95.4169.3-176.2-68.4-1.8000112.2G347 F411 T412G347-W416 WeakPolarHBondContact CA-O 3.22Å; G347-W416 PolarHBondContact N-O 3.41Å; F411-W416 HydrophobicContact CE1-CD2 4.34Å; F411-W416 AromaticContact CE1-CE2 3.65Å; F411-W416 AromaticContact CE1-CZ2 3.9Å; F411-W416 HydrophobicContact CE1-CZ2 3.9Å; F411-W416 AromaticContact CE1-NE1 3.52Å; F411-W416 AromaticContact CZ-NE1 3.95Å; T412-W416 HydrophobicContact CG2-CD2 4.21Å; T412-W416 HydrophobicContact CG2-CE3 3.6Å; T412-W416 HydrophobicContact CG2-CZ3 3.94Å; T412-W416 CarbonylContact O-C 3.23Å; T412-W416 WeakPolarHBondContact O-CA 3.28Å; T412-W416 WeakPolarHBondContact O-CB 3.23Å; T412-W416 PolarHBondContact O-N 3.19Å
417G90.5Very high90.5Very high60 Ų6068.3 Ų68.362%0.61935%0.354SS*.SBendtrans92.1-174.4-179.500000113.9G347G347-G417 WeakPolarHBondContact CA-O 3.44Å
418S88.1Confident90.4Very high87 Ų8773 Ų7361%0.60839%0.385SS*.  trans-74.8140.2176.252.70000111
419L88.2Confident90.3Very high59 Ų5970.9 Ų70.931%0.30938%0.377SS..  trans-60.4139.8170.2-74.7164.5000110.9G347 T350 L351 H421G347-L419 VanDerWaalsContact O-CD2 3.28Å; G347-L419 WeakPolarHBondContact O-CD2 3.42Å; T350-L419 VanDerWaalsContact OG1-CD1 3.27Å; T350-L419 WeakPolarHBondContact OG1-CD1 3.37Å; T350-L419 WeakPolarHBondContact OG1-CG 3.34Å; L351-L419 HydrophobicContact CD1-CD1 4.16Å; L351-L419 HydrophobicContact CD1-CD2 3.43Å; L351-L419 VanDerWaalsContact CD1-CD2 3.43Å; L351-L419 HydrophobicContact CD1-CG 4.44Å; L351-L419 HydrophobicContact CD2-CD1 4.13Å; L351-L419 HydrophobicContact CG-CD1 3.92Å; L351-L419 HydrophobicContact CG-CD2 3.76Å; L351-L419 HydrophobicContact CG-CG 4.48Å; L419-H421 PolarHBondContact O-N 3.46Å
420T88Confident90.3Very high36 Ų3670.7 Ų70.722%0.22138%0.378CS..  trans-66.9114.9170.852.30000110.3L344 Q346 H422 I423L344-T420 WeakPolarHBondContact O-CG2 3.46Å; Q346-T420 HydrophobicContact CB-CG2 4.33Å; T420-H422 PolarHBondContact O-N 3.16Å; T420-H422 VanDerWaalsContact O-N 3.07Å; T420-I423 PolarHBondContact O-N 2.78Å; T420-I423 VanDerWaalsContact O-N 3.12Å; T420-I423 VanDerWaalsContact OG1-CD1 3.23Å; T420-I423 WeakPolarHBondContact OG1-CD1 3.46Å; T420-I423 VanDerWaalsContact OG1-CG1 3.3Å; T420-I423 WeakPolarHBondContact OG1-CG1 3.47Å
421H81.9Confident90.3Very high161 Ų16176.5 Ų76.575%0.74541%0.413SS*.THydrogen-bonded Turntrans-59.4-23.4-172.4-65.5-60.2000115.7L419 N424L419-H421 PolarHBondContact O-N 3.46Å; H421-N424 PolarHBondContact O-OD1 3.42Å
422H86.7Confident90.3Very high186 Ų18678 Ų7886%0.86142%0.419SS*.THydrogen-bonded Turntrans-84.8-12.1-178.7-59.8-55.2000113.8T420 N424T420-H422 PolarHBondContact O-N 3.16Å; T420-H422 VanDerWaalsContact O-N 3.07Å; H422-N424 PolarHBondContact O-N 2.89Å
423I83.4Confident90.3Very high48 Ų4876.1 Ų76.125%0.24641%0.407CS..  trans-95.888.4-177.2-53.7-174.3000110T337 L344 T420 M426T337-I423 HydrophobicContact CG2-CD1 4.23Å; L344-I423 WeakPolarHBondContact O-CD1 3.49Å; T420-I423 PolarHBondContact O-N 2.78Å; T420-I423 VanDerWaalsContact O-N 3.12Å; T420-I423 VanDerWaalsContact OG1-CD1 3.23Å; T420-I423 WeakPolarHBondContact OG1-CD1 3.46Å; T420-I423 VanDerWaalsContact OG1-CG1 3.3Å; T420-I423 WeakPolarHBondContact OG1-CG1 3.47Å; I423-M426 HydrophobicContact CG2-CE 3.85Å; I423-M426 HydrophobicContact CG2-CG 3.92Å; I423-M426 HydrophobicContact CG2-SD 4.19Å
424N78.6Confident90.4Very high135 Ų13576.4 Ų76.472%0.72241%0.408SS*.  trans-95-12.7-177-65.9-6.9000113.8H421 H422 M426H421-N424 PolarHBondContact O-OD1 3.42Å; H422-N424 PolarHBondContact O-N 2.89Å; N424-M426 PolarHBondContact O-N 3.5Å
425N76.3Confident90.5Very high137 Ų13779.6 Ų79.673%0.73343%0.427SS*.  trans-100.534.2-170-71-6.2000114K427N425-K427 PolarHBondContact O-N 3.28Å
426M86.6Confident90.5Very high37 Ų3779.7 Ų79.718%0.18243%0.428CS..  trans-76107.7177.1-73.5-61.3-158.500111R336 T337 L348 L351 I423 N424R336-M426 HydrophobicContact CB-SD 3.68Å; R336-M426 HydrophobicContact CG-SD 4.24Å; T337-M426 HydrophobicContact CG2-CE 3.53Å; T337-M426 HydrophobicContact CG2-SD 4.45Å; L348-M426 HydrophobicContact CD2-CE 3.38Å; L348-M426 HydrophobicContact CD2-SD 4.46Å; L351-M426 HydrophobicContact CD1-CB 3.88Å; L351-M426 HydrophobicContact CD1-CG 3.89Å; I423-M426 HydrophobicContact CG2-CE 3.85Å; I423-M426 HydrophobicContact CG2-CG 3.92Å; I423-M426 HydrophobicContact CG2-SD 4.19Å; N424-M426 PolarHBondContact O-N 3.5Å
427K91Very high90.8Very high110 Ų11073.1 Ų73.148%0.47840%0.403SS..PPolyproline II helixtrans-73.2146.6172.7-63.5-179.9-175.1174.60110.3R336 N425 F430R336-K427 PolarHBondContact NE-O 3.35Å; R336-K427 PolarHBondContact NH2-O 2.98Å; N425-K427 PolarHBondContact O-N 3.28Å; K427-F430 HydrophobicContact CB-CE2 4.42Å; K427-F430 HydrophobicContact CB-CZ 4.27Å; K427-F430 HydrophobicContact CD-CE2 4.47Å; K427-F430 HydrophobicContact CD-CZ 3.93Å
428P94.4Very high91.1Very high99 Ų9975.9 Ų75.964%0.64340%0.398SS*.PPolyproline II helixtrans-58163.9173.125.2-34.2000111.8R336 F430R336-P428 PolarHBondContact NH2-O 3.46Å; P428-F430 PolarHBondContact O-N 3.27Å
429S95.6Very high91.5Very high35 Ų3574.3 Ų74.325%0.24538%0.382CS..PPolyproline II helixtrans-62126.2177.358.50000110.5N434S429-N434 PolarHBondContact OG-ND2 3.43Å; S429-N434 VanDerWaalsContact OG-ND2 3.11Å
430F96.5Very high91.9Very high78 Ų7871.5 Ų71.534%0.34237%0.367SS..PPolyproline II helixtrans-75.9150176.3-66.2-75.6000110.6K427 P428 R432 E433 N434K427-F430 HydrophobicContact CB-CE2 4.42Å; K427-F430 HydrophobicContact CB-CZ 4.27Å; K427-F430 HydrophobicContact CD-CE2 4.47Å; K427-F430 HydrophobicContact CD-CZ 3.93Å; P428-F430 PolarHBondContact O-N 3.27Å; F430-R432 VanDerWaalsContact C-N 3.25Å; F430-R432 PolarHBondContact O-N 3.44Å; F430-E433 HydrophobicContact CB-CG 4.12Å; F430-E433 PolarHBondContact N-OE2 2.93Å; F430-E433 WeakPolarHBondContact O-CB 3.41Å; F430-E433 PolarHBondContact O-N 2.96Å; F430-N434 PolarHBondContact O-N 3.01Å; F430-N434 VanDerWaalsContact O-N 3.13Å
431T96.9Very high92.2Very high121 Ų12170.1 Ų70.174%0.74236%0.358SS*.Hα-helixtrans-54.4-43.6174.651.30000111.5E433 N434 T435T431-E433 VanDerWaalsContact C-N 3.3Å; T431-E433 PolarHBondContact O-N 3.17Å; T431-N434 PolarHBondContact O-N 3.18Å; T431-T435 WeakPolarHBondContact O-CG2 3.46Å; T431-T435 PolarHBondContact O-N 2.95Å; T431-T435 PolarHBondContact O-OG1 2.87Å; T431-T435 VanDerWaalsContact O-OG1 3.07Å
432R96.2Very high92.8Very high43 Ų4363.6 Ų63.616%0.16233%0.331CS..Hα-helixtrans-52-44.1173.5-177.2-16570.2102.8-5.2113.2M78 A79 E335 F430 T435 L436M78-R432 WeakPolarHBondContact O-CD 3.48Å; M78-R432 PolarHBondContact O-NH1 3.38Å; A79-R432 PolarHBondContact O-NH1 3.25Å; E335-R432 IonicContact OE1-NH2 3.54Å; E335-R432 PolarHBondContact OE1-NH2 3.48Å; E335-R432 IonicContact OE2-NH2 3.41Å; E335-R432 PolarHBondContact OE2-NH2 2.9Å; F430-R432 VanDerWaalsContact C-N 3.25Å; F430-R432 PolarHBondContact O-N 3.44Å; R432-T435 VanDerWaalsContact C-OG1 3.3Å; R432-T435 VanDerWaalsContact CA-OG1 3.3Å; R432-T435 WeakPolarHBondContact CA-OG1 3.4Å; R432-T435 PolarHBondContact O-OG1 2.93Å; R432-L436 VanDerWaalsContact O-CB 3.3Å; R432-L436 WeakPolarHBondContact O-CB 3.3Å; R432-L436 PolarHBondContact O-N 3.28Å
433E97.2Very high93.2Very high5 Ų555.5 Ų55.52%0.02330%0.295CS..Hα-helixtrans-68.9-47.2-178.2-63.8172.2153.200109.9R336 M355 F430 T431 T435 L436 M437R336-E433 IonicContact CZ-OE1 2.71Å; R336-E433 IonicContact CZ-OE2 3.93Å; R336-E433 IonicContact NH1-OE1 2.7Å; R336-E433 PolarHBondContact NH1-OE1 3Å; R336-E433 IonicContact NH1-OE2 3.94Å; R336-E433 PolarHBondContact NH1-OE2 3.31Å; R336-E433 IonicContact NH2-OE1 3.16Å; R336-E433 PolarHBondContact NH2-OE1 3.35Å; R336-E433 IonicContact NH2-OE2 3.08Å; R336-E433 PolarHBondContact NH2-OE2 3.44Å; M355-E433 HydrophobicContact CE-CB 3.91Å; F430-E433 HydrophobicContact CB-CG 4.12Å; F430-E433 PolarHBondContact N-OE2 2.93Å; F430-E433 WeakPolarHBondContact O-CB 3.41Å; F430-E433 PolarHBondContact O-N 2.96Å; T431-E433 VanDerWaalsContact C-N 3.3Å; T431-E433 PolarHBondContact O-N 3.17Å; E433-T435 PolarHBondContact O-N 2.95Å; E433-L436 WeakPolarHBondContact O-CB 3.47Å; E433-L436 PolarHBondContact O-N 3.24Å; E433-L436 VanDerWaalsContact O-N 3.15Å; E433-M437 WeakPolarHBondContact O-CG 2.84Å; E433-M437 PolarHBondContact O-N 3.15Å
434N97.6Very high93.6Very high26 Ų2653.3 Ų53.314%0.13928%0.283CS..Hα-helixtrans-64.4-40178.7-68.1-29.1000112.2W358 S429 F430 T431 L436 M437 F438W358-N434 PolarHBondContact NE1-OD1 3.25Å; S429-N434 PolarHBondContact OG-ND2 3.43Å; S429-N434 VanDerWaalsContact OG-ND2 3.11Å; F430-N434 PolarHBondContact O-N 3.01Å; F430-N434 VanDerWaalsContact O-N 3.13Å; T431-N434 PolarHBondContact O-N 3.18Å; N434-L436 VanDerWaalsContact C-N 3.27Å; N434-L436 PolarHBondContact O-N 3.41Å; N434-M437 PolarHBondContact O-N 3.19Å; N434-F438 WeakPolarHBondContact O-CB 3.34Å; N434-F438 PolarHBondContact O-N 2.6Å
435T97.3Very high94.3Very high67 Ų6751.4 Ų51.441%0.41127%0.273SS..Hα-helixtrans-62.8-36.9174.252.50000111.5T431 R432 E433 M439T431-T435 WeakPolarHBondContact O-CG2 3.46Å; T431-T435 PolarHBondContact O-N 2.95Å; T431-T435 PolarHBondContact O-OG1 2.87Å; T431-T435 VanDerWaalsContact O-OG1 3.07Å; R432-T435 VanDerWaalsContact C-OG1 3.3Å; R432-T435 VanDerWaalsContact CA-OG1 3.3Å; R432-T435 WeakPolarHBondContact CA-OG1 3.4Å; R432-T435 PolarHBondContact O-OG1 2.93Å; E433-T435 PolarHBondContact O-N 2.95Å; T435-M439 WeakPolarHBondContact O-CB 3.3Å; T435-M439 WeakPolarHBondContact O-CG 3.43Å; T435-M439 PolarHBondContact O-N 3.19Å
436L97.3Very high95.1Very high4 Ų450.2 Ų50.22%0.02127%0.266CS..Hα-helixtrans-67.5-44177.3-177.7153.2000111.2M78 A79 C328 R432 E433 N434 F438 M439 H440M78-L436 HydrophobicContact CB-CD1 4.39Å; A79-L436 HydrophobicContact CB-CD1 3.61Å; C328-L436 HydrophobicContact CB-CD2 3.35Å; C328-L436 VanDerWaalsContact SG-CD2 3.53Å; R432-L436 VanDerWaalsContact O-CB 3.3Å; R432-L436 WeakPolarHBondContact O-CB 3.3Å; R432-L436 PolarHBondContact O-N 3.28Å; E433-L436 WeakPolarHBondContact O-CB 3.47Å; E433-L436 PolarHBondContact O-N 3.24Å; E433-L436 VanDerWaalsContact O-N 3.15Å; N434-L436 VanDerWaalsContact C-N 3.27Å; N434-L436 PolarHBondContact O-N 3.41Å; L436-F438 VanDerWaalsContact C-N 3.34Å; L436-M439 PolarHBondContact O-N 2.93Å; L436-H440 PolarHBondContact O-CD2 2.96Å; L436-H440 PolarHBondContact O-N 3.5Å; L436-H440 VanDerWaalsContact O-N 3.16Å
437M97.8Very high95.4Very high2 Ų249.3 Ų49.31%0.0126%0.262CS..Hα-helixtrans-63.3-43176.5-57.7-45.4157.200111.3L325 C328 L329 M355 W358 E433 N434 H440 L441L325-M437 HydrophobicContact CD1-CB 4.11Å; L325-M437 HydrophobicContact CD1-CG 4.33Å; L325-M437 HydrophobicContact CD1-SD 3.44Å; L325-M437 WeakPolarHBondContact CD1-SD 3.45Å; C328-M437 HydrophobicContact CB-CE 3.92Å; C328-M437 HydrophobicContact CB-SD 4.23Å; L329-M437 HydrophobicContact CD2-CE 3.77Å; L329-M437 HydrophobicContact CD2-CG 4.13Å; L329-M437 HydrophobicContact CD2-SD 3.6Å; L329-M437 HydrophobicContact CG-CE 4.11Å; L329-M437 HydrophobicContact CG-SD 3.77Å; M355-M437 HydrophobicContact SD-CE 4.32Å; M355-M437 HydrophobicContact SD-CG 4.4Å; W358-M437 HydrophobicContact CB-CB 4.07Å; W358-M437 HydrophobicContact CB-CG 4.05Å; W358-M437 HydrophobicContact CD2-CB 3.62Å; W358-M437 HydrophobicContact CD2-CG 4.41Å; W358-M437 HydrophobicContact CE3-CB 4.18Å; W358-M437 HydrophobicContact CG-CB 3.58Å; W358-M437 HydrophobicContact CG-CG 3.84Å; E433-M437 WeakPolarHBondContact O-CG 2.84Å; E433-M437 PolarHBondContact O-N 3.15Å; N434-M437 PolarHBondContact O-N 3.19Å; M437-H440 PolarHBondContact O-N 2.87Å; M437-L441 PolarHBondContact O-N 2.97Å
438F97.4Very high95.5Very high117 Ų11745.5 Ų45.551%0.51325%0.249SC..Hα-helixtrans-60.2-47.1176.6178-102.4000112.2W358 N434 L436 H440 L441 S442W358-F438 HydrophobicContact CH2-CB 3.96Å; W358-F438 HydrophobicContact CH2-CD2 4.07Å; W358-F438 HydrophobicContact CZ2-CB 4.23Å; N434-F438 WeakPolarHBondContact O-CB 3.34Å; N434-F438 PolarHBondContact O-N 2.6Å; L436-F438 VanDerWaalsContact C-N 3.34Å; F438-H440 PolarHBondContact O-N 3.16Å; F438-L441 PolarHBondContact O-N 3.09Å; F438-L441 VanDerWaalsContact O-N 3.17Å; F438-S442 WeakPolarHBondContact O-CB 3.44Å; F438-S442 PolarHBondContact O-N 3.3Å; F438-S442 PolarHBondContact O-OG 2.96Å
439M96.9Very high95.4Very high54 Ų5447.6 Ų47.627%0.26625%0.254SS..Hα-helixtrans-66-21.5178.6-71.6-67.1-165.900113.7W71 L75 T435 L436 P443W71-M439 HydrophobicContact CH2-SD 3.68Å; W71-M439 HydrophobicContact CZ2-CB 4.06Å; W71-M439 HydrophobicContact CZ2-CG 4.48Å; W71-M439 WeakPolarHBondContact CZ2-O 3.34Å; W71-M439 HydrophobicContact CZ2-SD 3.75Å; W71-M439 PolarHBondContact NE1-O 3.13Å; W71-M439 VanDerWaalsContact NE1-O 3.08Å; L75-M439 HydrophobicContact CD1-CB 4.4Å; L75-M439 HydrophobicContact CD2-CB 4Å; L75-M439 HydrophobicContact CG-CB 4.24Å; T435-M439 WeakPolarHBondContact O-CB 3.3Å; T435-M439 WeakPolarHBondContact O-CG 3.43Å; T435-M439 PolarHBondContact O-N 3.19Å; L436-M439 PolarHBondContact O-N 2.93Å; M439-P443 WeakPolarHBondContact O-CD 3.48Å; M439-P443 WeakPolarHBondContact O-CG 3.22Å
440H96.4Very high95.2Very high0 Ų049.4 Ų49.40%026%0.261CS..Hα-helixtrans-81.5-37.9171.2-87.8-58.2000112.9L75 M229 S324 L325 L436 M437 F438 P443 I444L75-H440 HydrophobicContact CD2-CB 4.48Å; L75-H440 WeakPolarHBondContact CD2-CE1 3.47Å; L75-H440 WeakPolarHBondContact CD2-ND1 3.09Å; L75-H440 WeakPolarHBondContact CD2-NE2 3.38Å; M229-H440 WeakPolarHBondContact CE-NE2 3.32Å; S324-H440 PolarHBondContact OG-CE1 3.33Å; S324-H440 PolarHBondContact OG-ND1 2.96Å; L325-H440 HydrophobicContact CB-CB 3.96Å; L325-H440 HydrophobicContact CD1-CB 3.75Å; L325-H440 HydrophobicContact CG-CB 4.32Å; L436-H440 PolarHBondContact O-CD2 2.96Å; L436-H440 PolarHBondContact O-N 3.5Å; L436-H440 VanDerWaalsContact O-N 3.16Å; M437-H440 PolarHBondContact O-N 2.87Å; F438-H440 PolarHBondContact O-N 3.16Å; H440-P443 WeakPolarHBondContact O-CD 2.98Å; H440-I444 WeakPolarHBondContact O-CD1 3.41Å; H440-I444 WeakPolarHBondContact O-CG1 3.19Å
441L94.8Very high94.8Very high7 Ų747.2 Ų47.24%0.03726%0.255CS..Hα-helixtrans-82.6-32.5-176.9-80.6162.1000113.3L325 W358 L361 M437 F438 I444 L445L325-L441 HydrophobicContact CD2-CD1 4.07Å; L325-L441 HydrophobicContact CD2-CD2 3.74Å; L325-L441 HydrophobicContact CD2-CG 3.66Å; W358-L441 HydrophobicContact CD2-CD1 4.28Å; W358-L441 HydrophobicContact CE3-CD1 3.16Å; W358-L441 HydrophobicContact CZ3-CD1 3.46Å; W358-L441 VanDerWaalsContact CZ3-CD1 3.46Å; L361-L441 HydrophobicContact CB-CD1 3.98Å; L361-L441 HydrophobicContact CB-CD2 4.01Å; L361-L441 HydrophobicContact CD1-CD1 3.89Å; M437-L441 PolarHBondContact O-N 2.97Å; F438-L441 PolarHBondContact O-N 3.09Å; F438-L441 VanDerWaalsContact O-N 3.17Å; L441-I444 HydrophobicContact CD2-CD1 4.25Å; L441-I444 WeakPolarHBondContact O-CB 3.46Å; L441-I444 PolarHBondContact O-N 3.44Å; L441-I444 VanDerWaalsContact O-N 3.13Å; L441-L445 PolarHBondContact O-N 2.95Å
442S94.6Very high94.3Very high25 Ų2546.5 Ų46.518%0.17525%0.246CC..Hα-helixtrans-58.2-42.7-178.870.60000112.8F438 L445 L446F438-S442 WeakPolarHBondContact O-CB 3.44Å; F438-S442 PolarHBondContact O-N 3.3Å; F438-S442 PolarHBondContact O-OG 2.96Å; S442-L445 PolarHBondContact O-N 3Å; S442-L446 WeakPolarHBondContact O-CB 3.1Å; S442-L446 WeakPolarHBondContact O-CD1 3.47Å; S442-L446 WeakPolarHBondContact O-CG 3.26Å; S442-L446 PolarHBondContact O-N 3.4Å
443P93.8Very high93.8Very high15 Ų1547.3 Ų47.310%0.09725%0.253CS..Hα-helixtrans-69.5-34.9176.2-15.732.5000112.3W71 L321 M439 H440 L445 L446 L447W71-P443 HydrophobicContact CZ2-CG 4.08Å; L321-P443 HydrophobicContact CD1-CB 4.07Å; M439-P443 WeakPolarHBondContact O-CD 3.48Å; M439-P443 WeakPolarHBondContact O-CG 3.22Å; H440-P443 WeakPolarHBondContact O-CD 2.98Å; P443-L445 VanDerWaalsContact C-N 3.33Å; P443-L445 PolarHBondContact O-N 2.97Å; P443-L446 PolarHBondContact O-N 3.09Å; P443-L447 WeakPolarHBondContact O-CB 3.44Å; P443-L447 WeakPolarHBondContact O-CD1 3.36Å; P443-L447 WeakPolarHBondContact O-CG 3.47Å; P443-L447 PolarHBondContact O-N 3.28Å
444I93.1Very high93.3Very high2 Ų247.2 Ų47.21%0.0125%0.253CS..Hα-helixtrans-60.6-46177.4-62.3170000110.1L321 T322 I373 H440 L441 S448L321-I444 HydrophobicContact CB-CD1 3.75Å; L321-I444 HydrophobicContact CB-CG1 3.57Å; L321-I444 HydrophobicContact CD1-CG1 3.77Å; L321-I444 HydrophobicContact CG-CG1 4.28Å; T322-I444 HydrophobicContact CG2-CD1 3.76Å; I373-I444 HydrophobicContact CD1-CG2 4.45Å; I373-I444 HydrophobicContact CG1-CG2 4.11Å; H440-I444 WeakPolarHBondContact O-CD1 3.41Å; H440-I444 WeakPolarHBondContact O-CG1 3.19Å; L441-I444 HydrophobicContact CD2-CD1 4.25Å; L441-I444 WeakPolarHBondContact O-CB 3.46Å; L441-I444 PolarHBondContact O-N 3.44Å; L441-I444 VanDerWaalsContact O-N 3.13Å; I444-S448 PolarHBondContact O-N 3.48Å
445L92.3Very high92.7Very high95 Ų9546.9 Ų46.950%0.49725%0.252SS..Hα-helixtrans-70.5-44.4178.9-67.3172.4000111.6L441 S442 P443 L447 S448L441-L445 PolarHBondContact O-N 2.95Å; S442-L445 PolarHBondContact O-N 3Å; P443-L445 VanDerWaalsContact C-N 3.33Å; P443-L445 PolarHBondContact O-N 2.97Å; L445-L447 PolarHBondContact O-N 2.87Å; L445-S448 WeakPolarHBondContact O-CB 3.41Å; L445-S448 PolarHBondContact O-N 3.3Å; L445-S448 VanDerWaalsContact O-N 3.16Å; L445-S448 PolarHBondContact O-OG 2.92Å
446L93.1Very high91.8Very high113 Ų11343.9 Ų43.959%0.59223%0.234SC*.Hα-helixtrans-65.4-38.8-180-71.1169.6000112.4S442 P443 S448 L449S442-L446 WeakPolarHBondContact O-CB 3.1Å; S442-L446 WeakPolarHBondContact O-CD1 3.47Å; S442-L446 WeakPolarHBondContact O-CG 3.26Å; S442-L446 PolarHBondContact O-N 3.4Å; P443-L446 PolarHBondContact O-N 3.09Å; L446-S448 PolarHBondContact O-N 3.21Å; L446-L449 HydrophobicContact CD2-CD1 4.48Å; L446-L449 WeakPolarHBondContact O-CB 3.45Å; L446-L449 PolarHBondContact O-N 2.81Å; L446-L449 VanDerWaalsContact O-N 3.13Å
447L93.6Very high90.2Very high17 Ų1749.1 Ų49.19%0.08926%0.257CS..Hα-helixtrans-67.9-23175.8-71.6171.2000112.6I317 L321 I373 P443 L445 L449 N450 P451 I454I317-L447 HydrophobicContact CG2-CD1 4.27Å; L321-L447 HydrophobicContact CD1-CD1 4.26Å; I373-L447 HydrophobicContact CD1-CB 4.17Å; I373-L447 HydrophobicContact CD1-CD1 4.11Å; I373-L447 HydrophobicContact CG2-CB 3.94Å; P443-L447 WeakPolarHBondContact O-CB 3.44Å; P443-L447 WeakPolarHBondContact O-CD1 3.36Å; P443-L447 WeakPolarHBondContact O-CG 3.47Å; P443-L447 PolarHBondContact O-N 3.28Å; L445-L447 PolarHBondContact O-N 2.87Å; L447-L449 VanDerWaalsContact C-N 3.26Å; L447-L449 PolarHBondContact O-N 2.99Å; L447-N450 CarbonylContact O-C 3.56Å; L447-N450 VanDerWaalsContact O-C 3.26Å; L447-N450 PolarHBondContact O-N 3.17Å; L447-P451 WeakPolarHBondContact O-CA 3.45Å; L447-I454 HydrophobicContact CB-CD1 4.45Å; L447-I454 HydrophobicContact CD1-CG2 4.4Å; L447-I454 HydrophobicContact CD2-CG2 3.86Å
448S93Very high88.2Confident31 Ų3152 Ų5222%0.21728%0.277CS..Hα-helixtrans-68.9-25.3172.473.70000113.2P371 I444 L445 L446P371-S448 WeakPolarHBondContact O-CB 3.46Å; I444-S448 PolarHBondContact O-N 3.48Å; L445-S448 WeakPolarHBondContact O-CB 3.41Å; L445-S448 PolarHBondContact O-N 3.3Å; L445-S448 VanDerWaalsContact O-N 3.16Å; L445-S448 PolarHBondContact O-OG 2.92Å; L446-S448 PolarHBondContact O-N 3.21Å
449L92.4Very high85.5Confident142 Ų14250.6 Ų50.674%0.74328%0.282SS*.Hα-helixtrans-78.6-30.7176.9-62.7173.7000112.5L446 L447L446-L449 HydrophobicContact CD2-CD1 4.48Å; L446-L449 WeakPolarHBondContact O-CB 3.45Å; L446-L449 PolarHBondContact O-N 2.81Å; L446-L449 VanDerWaalsContact O-N 3.13Å; L447-L449 VanDerWaalsContact C-N 3.26Å; L447-L449 PolarHBondContact O-N 2.99Å
450N90.7Very high85Confident73 Ų7350.5 Ų50.539%0.3928%0.283SS..  trans-138.578.1177.8-170.8-0.9000110.7L447 D452 I453L447-N450 CarbonylContact O-C 3.56Å; L447-N450 VanDerWaalsContact O-C 3.26Å; L447-N450 PolarHBondContact O-N 3.17Å; N450-D452 PolarHBondContact O-N 3.25Å; N450-I453 HydrophobicContact CB-CD1 4.26Å
451P88.6Confident84.4Confident33 Ų3353.1 Ų53.121%0.21430%0.298CS..G310 helixtrans-72.3-16.7-178.130.1-35.3000113L376 L447 I453 I454 T455L376-P451 HydrophobicContact CD1-CB 3.76Å; L376-P451 HydrophobicContact CD1-CG 4.12Å; L447-P451 WeakPolarHBondContact O-CA 3.45Å; P451-I453 PolarHBondContact O-N 3.38Å; P451-I453 VanDerWaalsContact O-N 3.1Å; P451-I454 WeakPolarHBondContact O-CG1 3.41Å; P451-I454 PolarHBondContact O-N 2.9Å; P451-T455 WeakPolarHBondContact O-CG2 3.4Å
452D86Confident83.8Confident106 Ų10655.7 Ų55.757%0.56731%0.312SS*.G310 helixtrans-56.5-34.5-175.2-61.7-14.5000112.1N450 I454 T455N450-D452 PolarHBondContact O-N 3.25Å; D452-I454 PolarHBondContact O-N 3.06Å; D452-T455 PolarHBondContact O-N 3.07Å; D452-T455 PolarHBondContact O-OG1 3.04Å
453I86.2Confident83.1Confident59 Ų5957.5 Ų57.530%0.30332%0.32SS..G310 helixtrans-54.9-27.5176.8-61.2-179.5000112.8F42 N450 P451F42-I453 HydrophobicContact CD1-CG2 3.42Å; F42-I453 VanDerWaalsContact CD1-CG2 3.42Å; F42-I453 HydrophobicContact CD2-CG2 4.3Å; F42-I453 HydrophobicContact CE1-CB 4.41Å; F42-I453 HydrophobicContact CE1-CG2 3.03Å; F42-I453 HydrophobicContact CE2-CG2 3.95Å; F42-I453 HydrophobicContact CG-CG2 4.07Å; F42-I453 HydrophobicContact CZ-CG2 3.32Å; N450-I453 HydrophobicContact CB-CD1 4.26Å; P451-I453 PolarHBondContact O-N 3.38Å; P451-I453 VanDerWaalsContact O-N 3.1Å
454I87.3Confident82.5Confident3 Ų360.1 Ų60.12%0.01533%0.334CS..G310 helixtrans-115.910.7-173.559.2165.9000113.5P64 V313 I314 I317 I373 L447 P451 D452 G456P64-I454 HydrophobicContact CB-CG2 4.05Å; P64-I454 HydrophobicContact CG-CG2 4.29Å; V313-I454 WeakPolarHBondContact CG1-O 3.44Å; I314-I454 HydrophobicContact CG1-CD1 4.29Å; I314-I454 HydrophobicContact CG1-CG1 4.18Å; I314-I454 WeakPolarHBondContact CG1-O 3.37Å; I314-I454 HydrophobicContact CG2-CD1 4.06Å; I317-I454 HydrophobicContact CD1-CB 3.59Å; I317-I454 HydrophobicContact CD1-CG2 3.7Å; I373-I454 HydrophobicContact CB-CD1 4.28Å; I373-I454 HydrophobicContact CD1-CD1 4.45Å; I373-I454 HydrophobicContact CG2-CD1 3.89Å; L447-I454 HydrophobicContact CB-CD1 4.45Å; L447-I454 HydrophobicContact CD1-CG2 4.4Å; L447-I454 HydrophobicContact CD2-CG2 3.86Å; P451-I454 WeakPolarHBondContact O-CG1 3.41Å; P451-I454 PolarHBondContact O-N 2.9Å; D452-I454 PolarHBondContact O-N 3.06Å; I454-G456 VanDerWaalsContact C-N 3.32Å; I454-G456 PolarHBondContact O-N 3.09Å
455T83.6Confident81.8Confident20 Ų2064 Ų6412%0.12336%0.356CS..  trans-77.3-13.1-178.4570000113.8T310 I314 P451 D452T310-T455 WeakPolarHBondContact CA-O 3.23Å; T310-T455 VanDerWaalsContact CB-O 3.24Å; T310-T455 WeakPolarHBondContact CB-O 3.32Å; T310-T455 WeakPolarHBondContact CG2-O 3.38Å; I314-T455 HydrophobicContact CD1-CG2 4.3Å; P451-T455 WeakPolarHBondContact O-CG2 3.4Å; D452-T455 PolarHBondContact O-N 3.07Å; D452-T455 PolarHBondContact O-OG1 3.04Å
456G78.6Confident81Confident3 Ų361.8 Ų61.83%0.03135%0.346CS..  trans74.5-135.9-179.100000112P60 I454 S458P60-G456 VanDerWaalsContact CB-O 3.28Å; P60-G456 WeakPolarHBondContact CB-O 3.49Å; P60-G456 WeakPolarHBondContact CG-O 3.13Å; I454-G456 VanDerWaalsContact C-N 3.32Å; I454-G456 PolarHBondContact O-N 3.09Å; G456-S458 VanDerWaalsContact C-N 3.26Å; G456-S458 PolarHBondContact O-N 2.94Å
457F64.5Low80.1Confident114 Ų11457.8 Ų57.850%0.533%0.327SS..THydrogen-bonded Turntrans-77.54.5-170-68.5-73.3000115.7L49 D59 P60 L61L49-F457 HydrophobicContact CD2-CE1 4.13Å; D59-F457 HydrophobicContact CB-CE1 4.08Å; D59-F457 HydrophobicContact CB-CZ 4.15Å; P60-F457 HydrophobicContact CG-CD1 3.83Å; P60-F457 HydrophobicContact CG-CE1 4.14Å; P60-F457 HydrophobicContact CG-CG 4.39Å; L61-F457 HydrophobicContact CB-CD2 4.4Å; L61-F457 HydrophobicContact CB-CE2 3.68Å; L61-F457 HydrophobicContact CB-CZ 4.04Å; L61-F457 HydrophobicContact CD2-CE2 4.13Å; L61-F457 HydrophobicContact CG-CE2 4.49Å
458S54.5Low79Confident62 Ų6261.3 Ų61.343%0.43435%0.347SS..THydrogen-bonded Turntrans-110.416.6-175.887.20000115.1T310 G456T310-S458 WeakPolarHBondContact CG2-OG 3.49Å; G456-S458 VanDerWaalsContact C-N 3.26Å; G456-S458 PolarHBondContact O-N 2.94Å
459S42.3Very low77.7Confident89 Ų8964 Ų6462%0.62236%0.358SS*.  trans-78.80171.359.80000111.8N46N46-S459 PolarHBondContact ND2-O 3.48Å; N46-S459 PolarHBondContact ND2-OXT 3.24Å; N46-S459 PolarHBondContact OD1-O 2.87Å; N46-S459 VanDerWaalsContact OD1-O 3.12Å; N46-S459 PolarHBondContact OD1-OG 3.09Å

Retrieved 459 of 459 residues in 99.7 ms (Link to these results)

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