A0A023QUC2_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 A0A023QUC2, Species HUMAN (Homo sapiens, Human), Gene ND4, Length 459 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M88.6Confident94.6Very high12 Ų1248.7 Ų48.76%0.05925%0.253CS..  0-19.90-65.8-56.3175.100115.8K3 L4 I5 F41 F56 S58 L66 T111M1-K3 PolarHBondContact O-N 3.04Å; M1-K3 VanDerWaalsContact O-N 3.12Å; M1-L4 PolarHBondContact O-N 3.22Å; M1-I5 HydrophobicContact CB-CD1 3.84Å; M1-I5 PolarHBondContact O-N 3.29Å; M1-I5 VanDerWaalsContact O-N 3.15Å; M1-F41 HydrophobicContact CE-CD1 4.25Å; M1-F41 HydrophobicContact CE-CE1 3.87Å; M1-F41 HydrophobicContact CE-CE2 4.26Å; M1-F41 HydrophobicContact CE-CZ 3.87Å; M1-F41 HydrophobicContact SD-CE1 3.91Å; M1-F41 HydrophobicContact SD-CE2 3.84Å; M1-F41 HydrophobicContact SD-CZ 3.37Å; M1-F41 WeakPolarHBondContact SD-CZ 3.33Å; M1-F56 HydrophobicContact CB-CB 3.75Å; M1-F56 HydrophobicContact CB-CD1 4.49Å; M1-F56 HydrophobicContact CB-CD2 4.3Å; M1-F56 HydrophobicContact CB-CG 3.92Å; M1-F56 HydrophobicContact CG-CB 3.62Å; M1-F56 HydrophobicContact CG-CG 4.26Å; M1-S58 WeakPolarHBondContact CE-OG 3.29Å; M1-L66 HydrophobicContact CE-CD1 4.02Å; M1-T111 HydrophobicContact CE-CG2 3.6Å; M1-T111 HydrophobicContact CG-CG2 3.59Å; M1-T111 HydrophobicContact SD-CG2 3.71Å
2L91.2Very high94.9Very high114 Ų11449 Ų4960%0.59725%0.254SS*.Hα-helixtrans-53.6-33.8178.8-77.6156.9000114.5L4 I5 V6L2-L4 PolarHBondContact O-N 3.08Å; L2-L4 VanDerWaalsContact O-N 3.09Å; L2-I5 PolarHBondContact O-N 2.91Å; L2-V6 HydrophobicContact CD2-CG2 4.23Å; L2-V6 WeakPolarHBondContact O-CB 3.32Å; L2-V6 WeakPolarHBondContact O-CG2 3.23Å; L2-V6 PolarHBondContact O-N 3.36Å
3K91.6Very high95Very high99 Ų9949.5 Ų49.543%0.4326%0.262SS..Hα-helixtrans-57-22.2173.968.2175.7178.5178.80114.5M1 P7 I37 F41M1-K3 PolarHBondContact O-N 3.04Å; M1-K3 VanDerWaalsContact O-N 3.12Å; K3-P7 VanDerWaalsContact O-CD 3.23Å; K3-P7 WeakPolarHBondContact O-CD 3.46Å; K3-P7 WeakPolarHBondContact O-CG 3.48Å; K3-I37 HydrophobicContact CD-CG2 4.4Å; K3-I37 HydrophobicContact CG-CG2 4.32Å; K3-F41 HydrophobicContact CD-CZ 4.23Å; K3-F41 HydrophobicContact CG-CZ 4.26Å
4L92.8Very high95.2Very high0 Ų048.6 Ų48.60%026%0.258CS..Hα-helixtrans-100.1-41.9176.9-161.3156.5000110.4M1 L2 P7 T8 P38 F41 T70 I107M1-L4 PolarHBondContact O-N 3.22Å; L2-L4 PolarHBondContact O-N 3.08Å; L2-L4 VanDerWaalsContact O-N 3.09Å; L4-P7 WeakPolarHBondContact O-CD 3.19Å; L4-T8 HydrophobicContact CD2-CG2 4.27Å; L4-T8 WeakPolarHBondContact O-CG2 3.28Å; L4-T8 PolarHBondContact O-N 3.06Å; L4-T8 PolarHBondContact O-OG1 3.12Å; L4-P38 HydrophobicContact CD1-CB 4.21Å; L4-P38 HydrophobicContact CD1-CG 3.89Å; L4-F41 HydrophobicContact CD1-CE2 4.09Å; L4-T70 HydrophobicContact CD1-CG2 4.11Å; L4-T70 HydrophobicContact CD2-CG2 3.86Å; L4-T70 HydrophobicContact CG-CG2 4.39Å; L4-I107 HydrophobicContact CD2-CB 4.17Å; L4-I107 HydrophobicContact CD2-CD1 3.2Å; L4-I107 HydrophobicContact CD2-CG1 3.58Å; L4-I107 HydrophobicContact CD2-CG2 3.54Å
5I94.7Very high95.3Very high9 Ų945.4 Ų45.45%0.04624%0.24CC..Hα-helixtrans-64-48.3-178.5-60.2155.9000111.8M1 L2 T8 I9 F56 I107 M108M1-I5 HydrophobicContact CB-CD1 3.84Å; M1-I5 PolarHBondContact O-N 3.29Å; M1-I5 VanDerWaalsContact O-N 3.15Å; L2-I5 PolarHBondContact O-N 2.91Å; I5-T8 WeakPolarHBondContact CA-OG1 3.35Å; I5-T8 PolarHBondContact O-N 3.18Å; I5-T8 VanDerWaalsContact O-N 3.14Å; I5-T8 PolarHBondContact O-OG1 2.81Å; I5-I9 HydrophobicContact CG2-CD1 3.66Å; I5-I9 HydrophobicContact CG2-CG1 4.26Å; I5-I9 WeakPolarHBondContact O-CG1 3.44Å; I5-I9 PolarHBondContact O-N 3Å; I5-F56 HydrophobicContact CD1-CD2 4.44Å; I5-F56 HydrophobicContact CD1-CE2 4.17Å; I5-F56 HydrophobicContact CD1-CZ 4.29Å; I5-I107 HydrophobicContact CG1-CG2 4.02Å; I5-M108 HydrophobicContact CD1-CE 4.38Å; I5-M108 HydrophobicContact CD1-SD 3.2Å; I5-M108 WeakPolarHBondContact CD1-SD 3.37Å; I5-M108 HydrophobicContact CG1-SD 3.59Å; I5-M108 VanDerWaalsContact CG1-SD 3.59Å; I5-M108 HydrophobicContact CG2-SD 4.16Å
6V96.5Very high95.4Very high68 Ų6850.1 Ų50.141%0.41225%0.254SS..Hα-helixtrans-61.4-49.4-176.2173.40000111.5L2 T8 I9 M10L2-V6 HydrophobicContact CD2-CG2 4.23Å; L2-V6 WeakPolarHBondContact O-CB 3.32Å; L2-V6 WeakPolarHBondContact O-CG2 3.23Å; L2-V6 PolarHBondContact O-N 3.36Å; V6-T8 VanDerWaalsContact C-N 3.3Å; V6-T8 PolarHBondContact O-N 3.29Å; V6-I9 PolarHBondContact O-N 3.4Å; V6-M10 HydrophobicContact CG1-CE 4.49Å; V6-M10 HydrophobicContact CG1-CG 4.42Å; V6-M10 VanDerWaalsContact O-CG 3.32Å; V6-M10 WeakPolarHBondContact O-CG 3.37Å; V6-M10 PolarHBondContact O-N 3.06Å
7P96.7Very high95.4Very high41 Ų4155.9 Ų55.927%0.26629%0.285SS..Hα-helixtrans-56.6-39.8173-2937.2000113.9K3 L4 M10 L11 I34 I37K3-P7 VanDerWaalsContact O-CD 3.23Å; K3-P7 WeakPolarHBondContact O-CD 3.46Å; K3-P7 WeakPolarHBondContact O-CG 3.48Å; L4-P7 WeakPolarHBondContact O-CD 3.19Å; P7-M10 PolarHBondContact O-N 3.13Å; P7-L11 PolarHBondContact O-N 3.46Å; P7-I34 HydrophobicContact CB-CD1 3.87Å; P7-I34 HydrophobicContact CB-CG1 3.78Å; P7-I37 HydrophobicContact CG-CD1 4.29Å
8T96.4Very high95.5Very high0 Ų053.4 Ų53.40%027%0.274CS..Hα-helixtrans-66.8-38.2177.754.60000113L4 I5 V6 M10 L11 I34 I100 I107L4-T8 HydrophobicContact CD2-CG2 4.27Å; L4-T8 WeakPolarHBondContact O-CG2 3.28Å; L4-T8 PolarHBondContact O-N 3.06Å; L4-T8 PolarHBondContact O-OG1 3.12Å; I5-T8 WeakPolarHBondContact CA-OG1 3.35Å; I5-T8 PolarHBondContact O-N 3.18Å; I5-T8 VanDerWaalsContact O-N 3.14Å; I5-T8 PolarHBondContact O-OG1 2.81Å; V6-T8 VanDerWaalsContact C-N 3.3Å; V6-T8 PolarHBondContact O-N 3.29Å; T8-M10 VanDerWaalsContact C-N 3.31Å; T8-M10 PolarHBondContact O-N 3.48Å; T8-L11 WeakPolarHBondContact O-CB 3.34Å; T8-L11 PolarHBondContact O-N 2.95Å; T8-I34 HydrophobicContact CG2-CD1 4.15Å; T8-I34 HydrophobicContact CG2-CG2 3.77Å; T8-I100 WeakPolarHBondContact O-CG2 3.31Å; T8-I107 HydrophobicContact CG2-CD1 3.68Å
9I97.3Very high95.4Very high77 Ų7759.6 Ų59.640%0.39530%0.298SS..Hα-helixtrans-64-40.2172.8-66.6169.3000110.1I5 V6 L11 L12 P13 I104I5-I9 HydrophobicContact CG2-CD1 3.66Å; I5-I9 HydrophobicContact CG2-CG1 4.26Å; I5-I9 WeakPolarHBondContact O-CG1 3.44Å; I5-I9 PolarHBondContact O-N 3Å; V6-I9 PolarHBondContact O-N 3.4Å; I9-L11 PolarHBondContact O-N 3.09Å; I9-L12 WeakPolarHBondContact O-CB 3.49Å; I9-L12 PolarHBondContact O-N 3.28Å; I9-P13 VanDerWaalsContact O-CD 3.23Å; I9-P13 WeakPolarHBondContact O-CD 3.32Å; I9-I104 HydrophobicContact CB-CD1 4.5Å; I9-I104 HydrophobicContact CG1-CD1 3.89Å; I9-I104 HydrophobicContact CG1-CG1 4.31Å; I9-I104 HydrophobicContact CG1-CG2 4.45Å
10M97.6Very high95.2Very high113 Ų11363.4 Ų63.456%0.55731%0.312SS*.Hα-helixtrans-66.5-14177.8-67.8-61.7173.700113.9V6 P7 T8 L12 P13 L14V6-M10 HydrophobicContact CG1-CE 4.49Å; V6-M10 HydrophobicContact CG1-CG 4.42Å; V6-M10 VanDerWaalsContact O-CG 3.32Å; V6-M10 WeakPolarHBondContact O-CG 3.37Å; V6-M10 PolarHBondContact O-N 3.06Å; P7-M10 PolarHBondContact O-N 3.13Å; T8-M10 VanDerWaalsContact C-N 3.31Å; T8-M10 PolarHBondContact O-N 3.48Å; M10-L12 VanDerWaalsContact C-N 3.25Å; M10-L12 PolarHBondContact O-N 2.84Å; M10-P13 VanDerWaalsContact O-CD 3.3Å; M10-P13 WeakPolarHBondContact O-CD 3.26Å; M10-P13 WeakPolarHBondContact O-CG 3.34Å; M10-P13 HydrophobicContact SD-CG 4.16Å; M10-L14 WeakPolarHBondContact O-CB 3.4Å; M10-L14 PolarHBondContact O-N 3.38Å
11L97.5Very high95Very high3 Ų367.8 Ų67.82%0.01633%0.332CS..Hα-helixtrans-65.1-29.7168-66.2176.6000112P7 T8 I9 L14 T15 H30 I34 L73 I100P7-L11 PolarHBondContact O-N 3.46Å; T8-L11 WeakPolarHBondContact O-CB 3.34Å; T8-L11 PolarHBondContact O-N 2.95Å; I9-L11 PolarHBondContact O-N 3.09Å; L11-L14 WeakPolarHBondContact O-CB 3.39Å; L11-L14 PolarHBondContact O-N 3.26Å; L11-T15 WeakPolarHBondContact O-CG2 3.22Å; L11-T15 PolarHBondContact O-N 2.81Å; L11-H30 HydrophobicContact CD2-CB 3.67Å; L11-I34 HydrophobicContact CD1-CD1 3.69Å; L11-I34 HydrophobicContact CD2-CD1 4Å; L11-I34 HydrophobicContact CG-CD1 3.77Å; L11-L73 HydrophobicContact CD1-CD2 4.02Å; L11-I100 HydrophobicContact CB-CD1 3.67Å; L11-I100 HydrophobicContact CB-CG1 4.07Å; L11-I100 HydrophobicContact CB-CG2 3.94Å; L11-I100 HydrophobicContact CD1-CG1 4.22Å
12L97.6Very high95.3Very high52 Ų5271.5 Ų71.527%0.27235%0.35SS..Hα-helixtrans-60.4-61.1177.2-67.3171.7000111.8I9 M10 L14 T15 W16 I100 I104I9-L12 WeakPolarHBondContact O-CB 3.49Å; I9-L12 PolarHBondContact O-N 3.28Å; M10-L12 VanDerWaalsContact C-N 3.25Å; M10-L12 PolarHBondContact O-N 2.84Å; L12-L14 PolarHBondContact O-N 3.33Å; L12-T15 PolarHBondContact O-N 3.26Å; L12-T15 PolarHBondContact O-OG1 3.26Å; L12-W16 VanDerWaalsContact O-CD1 3.29Å; L12-W16 PolarHBondContact O-N 2.86Å; L12-I100 HydrophobicContact CD2-CB 4.1Å; L12-I100 HydrophobicContact CD2-CG2 3.84Å; L12-I100 HydrophobicContact CG-CG2 3.87Å; L12-I104 HydrophobicContact CD1-CD1 4.28Å
13P97.1Very high95.5Very high55 Ų5566.1 Ų66.136%0.35732%0.322SS..Hα-helixtrans-59.2-34177.523.5-32.5000111.7I9 M10 T15 W16 L17I9-P13 VanDerWaalsContact O-CD 3.23Å; I9-P13 WeakPolarHBondContact O-CD 3.32Å; M10-P13 VanDerWaalsContact O-CD 3.3Å; M10-P13 WeakPolarHBondContact O-CD 3.26Å; M10-P13 WeakPolarHBondContact O-CG 3.34Å; M10-P13 HydrophobicContact SD-CG 4.16Å; P13-T15 PolarHBondContact O-N 3.32Å; P13-W16 PolarHBondContact O-N 3.25Å; P13-L17 HydrophobicContact CB-CD1 4.37Å; P13-L17 VanDerWaalsContact O-CB 3.29Å; P13-L17 WeakPolarHBondContact O-CB 3.29Å; P13-L17 VanDerWaalsContact O-CG 3.3Å; P13-L17 WeakPolarHBondContact O-CG 3.21Å; P13-L17 PolarHBondContact O-N 3.29Å
14L97.2Very high95.7Very high38 Ų3863.2 Ų63.220%0.19931%0.309CS..Hα-helixtrans-60-42174.6-177.2148.2000113M10 L11 L12 W16 S18 N26 T27 H30M10-L14 WeakPolarHBondContact O-CB 3.4Å; M10-L14 PolarHBondContact O-N 3.38Å; L11-L14 WeakPolarHBondContact O-CB 3.39Å; L11-L14 PolarHBondContact O-N 3.26Å; L12-L14 PolarHBondContact O-N 3.33Å; L14-W16 VanDerWaalsContact C-N 3.34Å; L14-S18 WeakPolarHBondContact O-CB 3.37Å; L14-S18 PolarHBondContact O-N 3.49Å; L14-S18 VanDerWaalsContact O-N 3.11Å; L14-S18 PolarHBondContact O-OG 2.86Å; L14-N26 HydrophobicContact CD2-CB 3.78Å; L14-N26 HydrophobicContact CG-CB 4.45Å; L14-T27 HydrophobicContact CD2-CG2 3.71Å; L14-H30 HydrophobicContact CD1-CB 4.25Å; L14-H30 WeakPolarHBondContact CD1-CD2 3.14Å
15T96.5Very high95.9Very high0 Ų067.6 Ų67.60%033%0.331CS..Hα-helixtrans-65.9-37.5176.4680000112.2L11 L12 P13 S18 T27 K93 L96 I100L11-T15 WeakPolarHBondContact O-CG2 3.22Å; L11-T15 PolarHBondContact O-N 2.81Å; L12-T15 PolarHBondContact O-N 3.26Å; L12-T15 PolarHBondContact O-OG1 3.26Å; P13-T15 PolarHBondContact O-N 3.32Å; T15-S18 PolarHBondContact O-OG 2.98Å; T15-S18 VanDerWaalsContact O-OG 3.08Å; T15-T27 HydrophobicContact CG2-CG2 3.37Å; T15-K93 VanDerWaalsContact O-CE 3.26Å; T15-K93 WeakPolarHBondContact O-CE 3.33Å; T15-L96 HydrophobicContact CG2-CB 4.26Å; T15-I100 HydrophobicContact CG2-CD1 3.28Å
16W96.8Very high96Very high120 Ų12069.6 Ų69.646%0.45534%0.342SS..Hα-helixtrans-81-34.6-175.5-76.896.7000112.6L12 P13 L14 K93 L94L12-W16 VanDerWaalsContact O-CD1 3.29Å; L12-W16 PolarHBondContact O-N 2.86Å; P13-W16 PolarHBondContact O-N 3.25Å; L14-W16 VanDerWaalsContact C-N 3.34Å; W16-K93 HydrophobicContact CD2-CB 4.46Å; W16-K93 HydrophobicContact CD2-CD 4.44Å; W16-K93 HydrophobicContact CE3-CB 4.47Å; W16-K93 HydrophobicContact CE3-CD 4.04Å; W16-K93 HydrophobicContact CH2-CB 4.49Å; W16-K93 HydrophobicContact CZ2-CB 4.46Å; W16-K93 HydrophobicContact CZ3-CB 4.49Å; W16-K93 HydrophobicContact CZ3-CD 4.48Å; W16-K93 PolarHBondContact O-NZ 2.99Å; W16-L94 HydrophobicContact CH2-CD2 4.1Å; W16-L94 HydrophobicContact CH2-CG 4.25Å; W16-L94 HydrophobicContact CZ2-CD2 3.87Å; W16-L94 HydrophobicContact CZ2-CG 4.29Å
17L96.5Very high96.1Very high150 Ų15066.4 Ų66.479%0.78532%0.323SS*.Hα-helixtrans-88.6-14.7-179.3-62.9173.7000113.7P13P13-L17 HydrophobicContact CB-CD1 4.37Å; P13-L17 VanDerWaalsContact O-CB 3.29Å; P13-L17 WeakPolarHBondContact O-CB 3.29Å; P13-L17 VanDerWaalsContact O-CG 3.3Å; P13-L17 WeakPolarHBondContact O-CG 3.21Å; P13-L17 PolarHBondContact O-N 3.29Å
18S96.3Very high96.1Very high11 Ų1165.1 Ų65.18%0.07731%0.314CS..SBendtrans-68.4143.4179.146.20000113.3L14 T15 I23L14-S18 WeakPolarHBondContact O-CB 3.37Å; L14-S18 PolarHBondContact O-N 3.49Å; L14-S18 VanDerWaalsContact O-N 3.11Å; L14-S18 PolarHBondContact O-OG 2.86Å; T15-S18 PolarHBondContact O-OG 2.98Å; T15-S18 VanDerWaalsContact O-OG 3.08Å; S18-I23 WeakPolarHBondContact OG-CG1 3.43Å
19K94.6Very high96.1Very high171 Ų17168 Ų6874%0.74333%0.332SS*.  trans-61.6147.2172.8-65.9-179.1-179.6177.70110.2H21 M22 I23K19-H21 VanDerWaalsContact C-N 3.29Å; K19-H21 PolarHBondContact O-N 3.33Å; K19-M22 HydrophobicContact CB-CB 4.49Å; K19-M22 HydrophobicContact CB-CG 4.48Å; K19-M22 PolarHBondContact O-N 2.99Å; K19-I23 WeakPolarHBondContact O-CG1 3.2Å; K19-I23 PolarHBondContact O-N 3.32Å
20K90.8Very high96.1Very high134 Ų13468.2 Ų68.258%0.58333%0.331SS*.THydrogen-bonded Turntrans-43.8-45.7-175.1-179.8176.7179.3-173.90115.1L89K20-L89 HydrophobicContact CB-CD1 4.24Å; K20-L89 HydrophobicContact CB-CD2 4.21Å; K20-L89 HydrophobicContact CG-CD1 3.82Å; K20-L89 HydrophobicContact CG-CD2 4.3Å
21H90.4Very high96.1Very high157 Ų15762.9 Ų62.973%0.72730%0.304SS*.THydrogen-bonded Turntrans-78.9-24.3-178.3-61.1-76.7000113.6K19K19-H21 VanDerWaalsContact C-N 3.29Å; K19-H21 PolarHBondContact O-N 3.33Å
22M95.2Very high96Very high90 Ų9064.9 Ų64.944%0.44332%0.315SS..THydrogen-bonded Turntrans-93.2-8.6-174.5-64.2-57-168.300113.7K19 W24 I25 N26K19-M22 HydrophobicContact CB-CB 4.49Å; K19-M22 HydrophobicContact CB-CG 4.48Å; K19-M22 PolarHBondContact O-N 2.99Å; M22-W24 VanDerWaalsContact C-N 3.33Å; M22-W24 PolarHBondContact O-N 2.89Å; M22-I25 PolarHBondContact O-N 3.16Å; M22-I25 HydrophobicContact SD-CD1 4.02Å; M22-N26 WeakPolarHBondContact O-CB 3.45Å; M22-N26 VanDerWaalsContact O-CG 3.31Å; M22-N26 PolarHBondContact O-N 3.42Å
23I96.3Very high95.9Very high1 Ų167.1 Ų67.11%0.00533%0.326CS..Hα-helixtrans-54.9-50.4-175.5-56.1174.9000110.8S18 K19 T27 L89 K93 L96S18-I23 WeakPolarHBondContact OG-CG1 3.43Å; K19-I23 WeakPolarHBondContact O-CG1 3.2Å; K19-I23 PolarHBondContact O-N 3.32Å; I23-T27 WeakPolarHBondContact O-CB 3.24Å; I23-T27 WeakPolarHBondContact O-CG2 3.48Å; I23-T27 PolarHBondContact O-N 3.3Å; I23-T27 VanDerWaalsContact O-N 3.08Å; I23-T27 PolarHBondContact O-OG1 3.05Å; I23-L89 HydrophobicContact CD1-CD1 3.28Å; I23-L89 HydrophobicContact CD1-CG 4.26Å; I23-K93 HydrophobicContact CD1-CD 4.34Å; I23-K93 VanDerWaalsContact CD1-CE 3.41Å; I23-K93 HydrophobicContact CD1-CG 3.98Å; I23-L96 HydrophobicContact CG2-CD1 3.39Å
24W95.8Very high95.9Very high38 Ų3864.8 Ų64.814%0.14431%0.31CS..Hα-helixtrans-69-39.1-178.7-62.4109.5000112.6M22 T27 T28 I77 Q81 L84 K92 L96M22-W24 VanDerWaalsContact C-N 3.33Å; M22-W24 PolarHBondContact O-N 2.89Å; W24-T27 PolarHBondContact O-OG1 3.04Å; W24-T28 WeakPolarHBondContact O-CB 3.47Å; W24-T28 VanDerWaalsContact O-CG2 3.23Å; W24-T28 WeakPolarHBondContact O-CG2 3.43Å; W24-T28 PolarHBondContact O-N 3.15Å; W24-T28 PolarHBondContact O-OG1 3.19Å; W24-I77 HydrophobicContact CE3-CG2 3.54Å; W24-I77 HydrophobicContact CZ3-CG2 3.86Å; W24-Q81 HydrophobicContact CB-CG 4.23Å; W24-Q81 HydrophobicContact CD2-CG 3.42Å; W24-Q81 VanDerWaalsContact CD2-CG 3.42Å; W24-Q81 HydrophobicContact CE3-CB 4.47Å; W24-Q81 HydrophobicContact CE3-CG 3.24Å; W24-Q81 HydrophobicContact CG-CG 3.86Å; W24-Q81 HydrophobicContact CH2-CG 4.24Å; W24-Q81 HydrophobicContact CZ2-CG 4.4Å; W24-Q81 HydrophobicContact CZ3-CG 3.66Å; W24-L84 HydrophobicContact CH2-CB 4.38Å; W24-L84 HydrophobicContact CH2-CD1 3.81Å; W24-L84 HydrophobicContact CZ2-CB 4.26Å; W24-L84 HydrophobicContact CZ2-CD1 4.42Å; W24-K92 HydrophobicContact CZ2-CB 4.44Å; W24-K92 HydrophobicContact CZ2-CG 4.3Å; W24-L96 HydrophobicContact CD2-CD1 4.49Å; W24-L96 HydrophobicContact CE3-CD1 4.17Å; W24-L96 HydrophobicContact CE3-CD2 4.02Å; W24-L96 HydrophobicContact CH2-CD1 4.47Å; W24-L96 HydrophobicContact CH2-CD2 4.29Å; W24-L96 HydrophobicContact CH2-CG 4.35Å; W24-L96 HydrophobicContact CZ3-CD1 4.19Å; W24-L96 HydrophobicContact CZ3-CD2 3.6Å; W24-L96 HydrophobicContact CZ3-CG 4.09Å
25I96.6Very high95.8Very high92 Ų9263.3 Ų63.347%0.47230%0.304SS..Hα-helixtrans-67.6-53.8-179.7-61.9171000109.6M22 T27 T28 T29M22-I25 PolarHBondContact O-N 3.16Å; M22-I25 HydrophobicContact SD-CD1 4.02Å; I25-T27 VanDerWaalsContact C-N 3.34Å; I25-T27 PolarHBondContact O-N 3.09Å; I25-T28 PolarHBondContact O-N 2.97Å; I25-T28 PolarHBondContact O-OG1 3.09Å; I25-T29 HydrophobicContact CG2-CG2 4.27Å; I25-T29 WeakPolarHBondContact O-CG2 3.41Å; I25-T29 PolarHBondContact O-N 2.95Å; I25-T29 PolarHBondContact O-OG1 2.67Å; I25-T29 VanDerWaalsContact O-OG1 3.11Å
26N97.3Very high95.6Very high51 Ų5168.3 Ų68.327%0.27333%0.329SS..Hα-helixtrans-62.7-41.7-177.7-63.9-0.4000111.4L14 M22 T29 H30L14-N26 HydrophobicContact CD2-CB 3.78Å; L14-N26 HydrophobicContact CG-CB 4.45Å; M22-N26 WeakPolarHBondContact O-CB 3.45Å; M22-N26 VanDerWaalsContact O-CG 3.31Å; M22-N26 PolarHBondContact O-N 3.42Å; N26-T29 PolarHBondContact O-OG1 3.3Å; N26-T29 VanDerWaalsContact O-OG1 3.09Å; N26-H30 WeakPolarHBondContact O-CB 3.19Å; N26-H30 PolarHBondContact O-CD2 2.88Å; N26-H30 PolarHBondContact O-N 2.87Å
27T97Very high95.3Very high1 Ų164.2 Ų64.21%0.00632%0.316CS..Hα-helixtrans-67.3-39.3179520000112.5L14 T15 I23 W24 I25 S31 L96L14-T27 HydrophobicContact CD2-CG2 3.71Å; T15-T27 HydrophobicContact CG2-CG2 3.37Å; I23-T27 WeakPolarHBondContact O-CB 3.24Å; I23-T27 WeakPolarHBondContact O-CG2 3.48Å; I23-T27 PolarHBondContact O-N 3.3Å; I23-T27 VanDerWaalsContact O-N 3.08Å; I23-T27 PolarHBondContact O-OG1 3.05Å; W24-T27 PolarHBondContact O-OG1 3.04Å; I25-T27 VanDerWaalsContact C-N 3.34Å; I25-T27 PolarHBondContact O-N 3.09Å; T27-S31 WeakPolarHBondContact O-CB 3.32Å; T27-S31 PolarHBondContact O-N 3.37Å; T27-S31 VanDerWaalsContact O-N 3.1Å; T27-S31 PolarHBondContact O-OG 3.28Å; T27-L96 HydrophobicContact CG2-CD1 4.42Å
28T97.1Very high94.8Very high14 Ų1457.1 Ų57.19%0.08628%0.279CS..Hα-helixtrans-67.8-44.4175.550.10000112.3W24 I25 S31 L32 I77 M78W24-T28 WeakPolarHBondContact O-CB 3.47Å; W24-T28 VanDerWaalsContact O-CG2 3.23Å; W24-T28 WeakPolarHBondContact O-CG2 3.43Å; W24-T28 PolarHBondContact O-N 3.15Å; W24-T28 PolarHBondContact O-OG1 3.19Å; I25-T28 PolarHBondContact O-N 2.97Å; I25-T28 PolarHBondContact O-OG1 3.09Å; T28-S31 WeakPolarHBondContact CA-OG 3.46Å; T28-S31 PolarHBondContact O-N 3.34Å; T28-S31 PolarHBondContact O-OG 3.3Å; T28-L32 WeakPolarHBondContact O-CB 3.46Å; T28-L32 WeakPolarHBondContact O-CG 3.45Å; T28-L32 PolarHBondContact O-N 3.25Å; T28-I77 HydrophobicContact CG2-CB 3.88Å; T28-I77 HydrophobicContact CG2-CG2 3.38Å; T28-M78 HydrophobicContact CG2-CG 4.1Å
29T96.5Very high94.4Very high60 Ų6061.1 Ų61.137%0.36830%0.299SS..Hα-helixtrans-65.2-48.3-178.856.10000111.8I25 N26 S31 L32 I33I25-T29 HydrophobicContact CG2-CG2 4.27Å; I25-T29 WeakPolarHBondContact O-CG2 3.41Å; I25-T29 PolarHBondContact O-N 2.95Å; I25-T29 PolarHBondContact O-OG1 2.67Å; I25-T29 VanDerWaalsContact O-OG1 3.11Å; N26-T29 PolarHBondContact O-OG1 3.3Å; N26-T29 VanDerWaalsContact O-OG1 3.09Å; T29-S31 VanDerWaalsContact C-N 3.35Å; T29-S31 PolarHBondContact O-N 3.39Å; T29-L32 PolarHBondContact O-N 3.44Å; T29-I33 WeakPolarHBondContact O-CG1 3.29Å; T29-I33 PolarHBondContact O-N 3.39Å
30H97.1Very high93.9Very high82 Ų8258.6 Ų58.638%0.3829%0.293SS..Hα-helixtrans-69.5-32.3-179.6-73.4-73.7000112.8L11 L14 N26 I33 I34L11-H30 HydrophobicContact CD2-CB 3.67Å; L14-H30 HydrophobicContact CD1-CB 4.25Å; L14-H30 WeakPolarHBondContact CD1-CD2 3.14Å; N26-H30 WeakPolarHBondContact O-CB 3.19Å; N26-H30 PolarHBondContact O-CD2 2.88Å; N26-H30 PolarHBondContact O-N 2.87Å; H30-I33 PolarHBondContact O-N 3.06Å; H30-I34 VanDerWaalsContact O-CG1 3.29Å; H30-I34 WeakPolarHBondContact O-CG1 3.46Å; H30-I34 PolarHBondContact O-N 3.12Å
31S97.2Very high93.3Very high0 Ų052.6 Ų52.60%027%0.267CS..Hα-helixtrans-71.5-34173.958.30000113.4T27 T28 T29 I34 S35 P74T27-S31 WeakPolarHBondContact O-CB 3.32Å; T27-S31 PolarHBondContact O-N 3.37Å; T27-S31 VanDerWaalsContact O-N 3.1Å; T27-S31 PolarHBondContact O-OG 3.28Å; T28-S31 WeakPolarHBondContact CA-OG 3.46Å; T28-S31 PolarHBondContact O-N 3.34Å; T28-S31 PolarHBondContact O-OG 3.3Å; T29-S31 VanDerWaalsContact C-N 3.35Å; T29-S31 PolarHBondContact O-N 3.39Å; S31-I34 PolarHBondContact O-N 3.49Å; S31-S35 PolarHBondContact O-N 2.68Å; S31-P74 WeakPolarHBondContact OG-CB 3.24Å
32L96.2Very high92.6Very high45 Ų4547.7 Ų47.724%0.23624%0.244CC..Hα-helixtrans-61.8-43168.6-75.6168.2000111.3T28 T29 I34 S35 I36 W71 P74T28-L32 WeakPolarHBondContact O-CB 3.46Å; T28-L32 WeakPolarHBondContact O-CG 3.45Å; T28-L32 PolarHBondContact O-N 3.25Å; T29-L32 PolarHBondContact O-N 3.44Å; L32-I34 VanDerWaalsContact C-N 3.28Å; L32-I34 PolarHBondContact O-N 3.43Å; L32-S35 WeakPolarHBondContact O-CB 3.12Å; L32-S35 PolarHBondContact O-N 3.47Å; L32-S35 VanDerWaalsContact O-N 3.11Å; L32-S35 PolarHBondContact O-OG 3.24Å; L32-I36 PolarHBondContact O-N 2.82Å; L32-W71 HydrophobicContact CD2-CZ3 4.36Å; L32-P74 HydrophobicContact CD2-CB 3.74Å; L32-P74 HydrophobicContact CD2-CG 3.67Å; L32-P74 HydrophobicContact CG-CB 3.69Å; L32-P74 HydrophobicContact CG-CG 4Å
33I96.1Very high91Very high99 Ų9949.9 Ų49.951%0.50826%0.257SS..Hα-helixtrans-59.3-42.3174.6-65.8165.8000110.7T29 H30 S35 I36T29-I33 WeakPolarHBondContact O-CG1 3.29Å; T29-I33 PolarHBondContact O-N 3.39Å; H30-I33 PolarHBondContact O-N 3.06Å; I33-S35 VanDerWaalsContact C-N 3.31Å; I33-S35 PolarHBondContact O-N 3.29Å; I33-I36 PolarHBondContact O-N 3.1Å
34I96.1Very high89.3Confident6 Ų651.5 Ų51.53%0.03127%0.265CS..Hα-helixtrans-63.3-37.3176.7-69.1163.1000111.6P7 T8 L11 H30 S31 L32 I36 I37 P38P7-I34 HydrophobicContact CB-CD1 3.87Å; P7-I34 HydrophobicContact CB-CG1 3.78Å; T8-I34 HydrophobicContact CG2-CD1 4.15Å; T8-I34 HydrophobicContact CG2-CG2 3.77Å; L11-I34 HydrophobicContact CD1-CD1 3.69Å; L11-I34 HydrophobicContact CD2-CD1 4Å; L11-I34 HydrophobicContact CG-CD1 3.77Å; H30-I34 VanDerWaalsContact O-CG1 3.29Å; H30-I34 WeakPolarHBondContact O-CG1 3.46Å; H30-I34 PolarHBondContact O-N 3.12Å; S31-I34 PolarHBondContact O-N 3.49Å; L32-I34 VanDerWaalsContact C-N 3.28Å; L32-I34 PolarHBondContact O-N 3.43Å; I34-I36 PolarHBondContact O-N 3.09Å; I34-I37 HydrophobicContact CG1-CD1 4.47Å; I34-I37 WeakPolarHBondContact O-CB 3.47Å; I34-I37 PolarHBondContact O-N 2.96Å; I34-P38 WeakPolarHBondContact O-CD 3.29Å
35S94.9Very high87.4Confident8 Ų856.4 Ų56.46%0.05629%0.292CS..Hα-helixtrans-63.6-19179.675.80000114.2S31 L32 I33 P38S31-S35 PolarHBondContact O-N 2.68Å; L32-S35 WeakPolarHBondContact O-CB 3.12Å; L32-S35 PolarHBondContact O-N 3.47Å; L32-S35 VanDerWaalsContact O-N 3.11Å; L32-S35 PolarHBondContact O-OG 3.24Å; I33-S35 VanDerWaalsContact C-N 3.31Å; I33-S35 PolarHBondContact O-N 3.29Å; S35-P38 WeakPolarHBondContact O-CD 3.3Å
36I92.1Very high85.4Confident105 Ų10556.5 Ų56.554%0.53829%0.294SS..Hα-helixtrans-79.5-30175.5-60.9168.7000111.1L32 I33 I34 L39L32-I36 PolarHBondContact O-N 2.82Å; I33-I36 PolarHBondContact O-N 3.1Å; I34-I36 PolarHBondContact O-N 3.09Å; I36-L39 HydrophobicContact CG2-CD1 4.16Å; I36-L39 VanDerWaalsContact O-CB 3.31Å; I36-L39 WeakPolarHBondContact O-CB 3.48Å; I36-L39 PolarHBondContact O-N 3.04Å; I36-L39 VanDerWaalsContact O-N 3.13Å
37I90.6Very high83.3Confident33 Ų3361 Ų6117%0.16932%0.318CS..G310 helixtrans-56.8-43.9-177.3-58.4173.1000112.9K3 P7 I34 L39 L40K3-I37 HydrophobicContact CD-CG2 4.4Å; K3-I37 HydrophobicContact CG-CG2 4.32Å; P7-I37 HydrophobicContact CG-CD1 4.29Å; I34-I37 HydrophobicContact CG1-CD1 4.47Å; I34-I37 WeakPolarHBondContact O-CB 3.47Å; I34-I37 PolarHBondContact O-N 2.96Å; I37-L39 PolarHBondContact O-N 2.8Å; I37-L39 VanDerWaalsContact O-N 3.16Å; I37-L40 HydrophobicContact CG2-CD1 4.45Å; I37-L40 WeakPolarHBondContact O-CB 3.25Å; I37-L40 WeakPolarHBondContact O-CG 3.41Å; I37-L40 PolarHBondContact O-N 2.7Å; I37-L40 VanDerWaalsContact O-N 3.13Å
38P87.1Confident81.5Confident2 Ų267.5 Ų67.51%0.01335%0.352CS..G310 helixtrans-61.1-21179.7-1.5-3.7000115.1L4 I34 S35 L40 F41 T70L4-P38 HydrophobicContact CD1-CB 4.21Å; L4-P38 HydrophobicContact CD1-CG 3.89Å; I34-P38 WeakPolarHBondContact O-CD 3.29Å; S35-P38 WeakPolarHBondContact O-CD 3.3Å; P38-L40 PolarHBondContact O-N 3.14Å; P38-L40 VanDerWaalsContact O-N 3.13Å; P38-F41 HydrophobicContact CB-CD2 4.27Å; P38-F41 WeakPolarHBondContact O-CB 3.43Å; P38-F41 PolarHBondContact O-N 3.03Å; P38-T70 HydrophobicContact CG-CG2 4.02Å; P38-T70 WeakPolarHBondContact CG-OG1 3.46Å
39L86.8Confident79.8Confident94 Ų9469.7 Ų69.749%0.49236%0.363SS..G310 helixtrans-58.8-27.5176-67.2163.8000112I36 I37 F41 F42 M67I36-L39 HydrophobicContact CG2-CD1 4.16Å; I36-L39 VanDerWaalsContact O-CB 3.31Å; I36-L39 WeakPolarHBondContact O-CB 3.48Å; I36-L39 PolarHBondContact O-N 3.04Å; I36-L39 VanDerWaalsContact O-N 3.13Å; I37-L39 PolarHBondContact O-N 2.8Å; I37-L39 VanDerWaalsContact O-N 3.16Å; L39-F41 PolarHBondContact O-N 3.41Å; L39-F42 HydrophobicContact CD2-CD2 4.02Å; L39-F42 HydrophobicContact CD2-CE2 3.88Å; L39-F42 PolarHBondContact O-N 3.01Å; L39-M67 HydrophobicContact CD2-SD 4.13Å
40L84.8Confident78.1Confident118 Ų11871.9 Ų71.962%0.61837%0.368SS*.G310 helixtrans-64.7-18175.3-59.8172.6000113.3I37 P38I37-L40 HydrophobicContact CG2-CD1 4.45Å; I37-L40 WeakPolarHBondContact O-CB 3.25Å; I37-L40 WeakPolarHBondContact O-CG 3.41Å; I37-L40 PolarHBondContact O-N 2.7Å; I37-L40 VanDerWaalsContact O-N 3.13Å; P38-L40 PolarHBondContact O-N 3.14Å; P38-L40 VanDerWaalsContact O-N 3.13Å
41F79.1Confident76.4Confident8 Ų871.5 Ų71.54%0.03537%0.374CS..G310 helixtrans-88.8-2.7178.7-60.3-66.9000113.3M1 K3 L4 P38 L39 N43 Q44 T63M1-F41 HydrophobicContact CE-CD1 4.25Å; M1-F41 HydrophobicContact CE-CE1 3.87Å; M1-F41 HydrophobicContact CE-CE2 4.26Å; M1-F41 HydrophobicContact CE-CZ 3.87Å; M1-F41 HydrophobicContact SD-CE1 3.91Å; M1-F41 HydrophobicContact SD-CE2 3.84Å; M1-F41 HydrophobicContact SD-CZ 3.37Å; M1-F41 WeakPolarHBondContact SD-CZ 3.33Å; K3-F41 HydrophobicContact CD-CZ 4.23Å; K3-F41 HydrophobicContact CG-CZ 4.26Å; L4-F41 HydrophobicContact CD1-CE2 4.09Å; P38-F41 HydrophobicContact CB-CD2 4.27Å; P38-F41 WeakPolarHBondContact O-CB 3.43Å; P38-F41 PolarHBondContact O-N 3.03Å; L39-F41 PolarHBondContact O-N 3.41Å; F41-N43 PolarHBondContact O-N 3.18Å; F41-Q44 VanDerWaalsContact O-CG 3.23Å; F41-Q44 WeakPolarHBondContact O-CG 3.41Å; F41-T63 HydrophobicContact CB-CG2 3.77Å
42F74.3Confident75Confident55 Ų5574 Ų7424%0.24139%0.391CS..  trans-74.5-10.3176.5-76.9-60.2000114.3L39 Q44 M67 I453L39-F42 HydrophobicContact CD2-CD2 4.02Å; L39-F42 HydrophobicContact CD2-CE2 3.88Å; L39-F42 PolarHBondContact O-N 3.01Å; F42-Q44 PolarHBondContact O-N 2.89Å; F42-M67 HydrophobicContact CE2-CE 4.48Å; F42-M67 HydrophobicContact CE2-SD 3.52Å; F42-M67 VanDerWaalsContact CE2-SD 3.52Å; F42-M67 HydrophobicContact CZ-CB 4.34Å; F42-M67 HydrophobicContact CZ-CE 4.07Å; F42-M67 HydrophobicContact CZ-SD 3.66Å; F42-I453 HydrophobicContact CD1-CG2 3.43Å; F42-I453 VanDerWaalsContact CD1-CG2 3.43Å; F42-I453 HydrophobicContact CD2-CG2 4.4Å; F42-I453 HydrophobicContact CE1-CB 4.41Å; F42-I453 HydrophobicContact CE1-CG2 3.05Å; F42-I453 HydrophobicContact CE2-CG2 4.11Å; F42-I453 HydrophobicContact CG-CG2 4.11Å; F42-I453 HydrophobicContact CZ-CG2 3.44Å; F42-I453 VanDerWaalsContact CZ-CG2 3.44Å
43N61.6Low74.5Confident135 Ų13573.7 Ų73.772%0.72239%0.393SS*.  trans-79.856.9174.1-162.921.7000111.3F41F41-N43 PolarHBondContact O-N 3.18Å
44Q62Low73.9Confident36 Ų3674.1 Ų74.117%0.16840%0.402CS..  trans-92.1112.8174.4-60.3-166.1-20.200108.5F41 F42 S58 P60F41-Q44 VanDerWaalsContact O-CG 3.23Å; F41-Q44 WeakPolarHBondContact O-CG 3.41Å; F42-Q44 PolarHBondContact O-N 2.89Å; Q44-S58 VanDerWaalsContact NE2-C 3.28Å; Q44-S58 PolarHBondContact NE2-O 2.85Å; Q44-P60 VanDerWaalsContact OE1-CA 3.29Å
45I55.5Low73.6Confident141 Ų14176.5 Ų76.572%0.72342%0.417SS*.  trans-74.4127.6171.5-62.5164000107N47 N48I45-N47 PolarHBondContact O-N 3.16Å; I45-N48 PolarHBondContact O-N 2.88Å
46N55.3Low73.4Confident94 Ų9477 Ų7750%0.50342%0.418SS..THydrogen-bonded Turntrans-46.4-7.2-159.4-97.80.2000120.2S459N46-S459 PolarHBondContact ND2-O 3.04Å; N46-S459 PolarHBondContact ND2-OXT 3.27Å; N46-S459 VanDerWaalsContact ND2-OXT 3.11Å; N46-S459 PolarHBondContact OD1-O 3.21Å; N46-S459 PolarHBondContact OD1-OG 2.86Å
47N52.6Low73.3Confident146 Ų14672.1 Ų72.178%0.78139%0.393SS*.THydrogen-bonded Turntrans-125.1-16.1-170.5-74.1-9000116.4I45I45-N47 PolarHBondContact O-N 3.16Å
48N58.3Low73.2Confident136 Ų13670.5 Ų70.573%0.72739%0.385SS*.SBendtrans-115.9122.2-177.8-73.4-8.1000110.6I45 F50I45-N48 PolarHBondContact O-N 2.88Å; N48-F50 PolarHBondContact O-N 3.49Å; N48-F50 VanDerWaalsContact O-N 3.17Å
49L61.3Low73.2Confident60 Ų6070.5 Ų70.531%0.31439%0.385SS..  trans-47.1124.4163.6-69.4103.6000107.8S51 D59 L177L49-S51 PolarHBondContact O-N 2.91Å; L49-D59 WeakPolarHBondContact CA-OD1 3.31Å; L49-D59 WeakPolarHBondContact CB-OD1 3.28Å; L49-D59 HydrophobicContact CD2-CB 4.3Å; L49-D59 WeakPolarHBondContact CD2-OD1 3.45Å; L49-D59 WeakPolarHBondContact CD2-OD2 3.4Å; L49-D59 VanDerWaalsContact CG-OD1 3.3Å; L49-D59 WeakPolarHBondContact CG-OD1 3.38Å; L49-L177 HydrophobicContact CB-CD2 3.63Å; L49-L177 HydrophobicContact CD1-CD2 3.57Å; L49-L177 HydrophobicContact CD2-CD2 3.44Å; L49-L177 VanDerWaalsContact CD2-CD2 3.44Å; L49-L177 HydrophobicContact CG-CD2 3.71Å
50F60.6Low73.2Confident106 Ų10667.6 Ų67.647%0.46537%0.371SS..EExtended strand (participates in β ladder)trans-76.783.3-179.7-165.6-91.1000108.1N48 C52 S57 S58N48-F50 PolarHBondContact O-N 3.49Å; N48-F50 VanDerWaalsContact O-N 3.17Å; F50-C52 VanDerWaalsContact CE1-SG 3.57Å; F50-C52 PolarHBondContact O-N 3.24Å; F50-S57 WeakPolarHBondContact O-CA 3.33Å; F50-S58 WeakPolarHBondContact CA-O 3.35Å; F50-S58 WeakPolarHBondContact CB-O 3.42Å; F50-S58 PolarHBondContact N-O 2.65Å; F50-S58 PolarHBondContact O-N 3.28Å
51S63Low73.4Confident75 Ų7562 Ų6252%0.52434%0.342SS..EExtended strand (participates in β ladder)trans-72.2107.2173.759.60000109L49L49-S51 PolarHBondContact O-N 2.91Å
52C67.9Low74Confident52 Ų5261.6 Ų61.635%0.35134%0.341SS..  trans-77.9-39.2173.9-68.30000111.4F50 F56F50-C52 VanDerWaalsContact CE1-SG 3.57Å; F50-C52 PolarHBondContact O-N 3.24Å; C52-F56 WeakPolarHBondContact CB-O 3.49Å; C52-F56 PolarHBondContact N-O 2.92Å; C52-F56 VanDerWaalsContact N-O 3.13Å
53S84.4Confident74.8Confident38 Ų3859.2 Ų59.227%0.26633%0.331SS..SBendtrans-155.6166.3-175.961.50000109T55 F56S53-T55 PolarHBondContact O-N 3.36Å; S53-T55 VanDerWaalsContact O-N 3.07Å; S53-T55 PolarHBondContact OG-OG1 2.79Å; S53-F56 PolarHBondContact N-O 3.49Å; S53-F56 VanDerWaalsContact N-O 3.14Å; S53-F56 PolarHBondContact O-N 2.82Å; S53-F56 PolarHBondContact OG-N 3.37Å
54P84.4Confident76.3Confident108 Ų10852.8 Ų52.870%0.70130%0.296SS*.SBendtrans-59.8-18.7173.624.3-36.1000113.2T113P54-T113 PolarHBondContact O-OG1 3.47Å
55T89.6Confident77.8Confident56 Ų5651.2 Ų51.234%0.34429%0.289SS..SBendtrans-96.2-33.4-179.649.90000113.9S53 T113 M117S53-T55 PolarHBondContact O-N 3.36Å; S53-T55 VanDerWaalsContact O-N 3.07Å; S53-T55 PolarHBondContact OG-OG1 2.79Å; T55-T113 WeakPolarHBondContact CA-OG1 3.22Å; T55-T113 PolarHBondContact O-N 3.25Å; T55-T113 VanDerWaalsContact O-N 3.11Å; T55-T113 PolarHBondContact O-OG1 2.96Å; T55-M117 HydrophobicContact CG2-CE 4.1Å
56F91.2Very high79.7Confident19 Ų1944.5 Ų44.58%0.08325%0.254CS..BIsolated β-bridgetrans-130.2130-174.4-56.9-67.9000113.4M1 I5 C52 S53 M108 T111 M117M1-F56 HydrophobicContact CB-CB 3.75Å; M1-F56 HydrophobicContact CB-CD1 4.49Å; M1-F56 HydrophobicContact CB-CD2 4.3Å; M1-F56 HydrophobicContact CB-CG 3.92Å; M1-F56 HydrophobicContact CG-CB 3.62Å; M1-F56 HydrophobicContact CG-CG 4.26Å; I5-F56 HydrophobicContact CD1-CD2 4.44Å; I5-F56 HydrophobicContact CD1-CE2 4.17Å; I5-F56 HydrophobicContact CD1-CZ 4.29Å; C52-F56 WeakPolarHBondContact CB-O 3.49Å; C52-F56 PolarHBondContact N-O 2.92Å; C52-F56 VanDerWaalsContact N-O 3.13Å; S53-F56 PolarHBondContact N-O 3.49Å; S53-F56 VanDerWaalsContact N-O 3.14Å; S53-F56 PolarHBondContact O-N 2.82Å; S53-F56 PolarHBondContact OG-N 3.37Å; F56-M108 HydrophobicContact CE1-CE 3.6Å; F56-M108 HydrophobicContact CE1-SD 3.6Å; F56-M108 HydrophobicContact CE2-CE 4.26Å; F56-M108 HydrophobicContact CZ-CE 3.2Å; F56-M108 HydrophobicContact CZ-SD 3.61Å; F56-T111 WeakPolarHBondContact CA-O 3.43Å; F56-T111 WeakPolarHBondContact CD1-OG1 3.27Å; F56-M117 HydrophobicContact CE1-SD 4.24Å; F56-M117 HydrophobicContact CZ-SD 4.47Å
57S89.1Confident81.6Confident2 Ų241.7 Ų41.71%0.01424%0.239CC..EExtended strand (participates in β ladder)trans-127162.6173.862.50000111.4F50 T111 T113F50-S57 WeakPolarHBondContact O-CA 3.33Å; S57-T111 PolarHBondContact N-O 3.25Å; S57-T111 WeakPolarHBondContact O-CA 3.43Å; S57-T113 WeakPolarHBondContact OG-CG2 3.39Å
58S88.1Confident83.6Confident0 Ų035 Ų350%020%0.203CC..EExtended strand (participates in β ladder)trans-136.2134.4165.541.80000110.8M1 Q44 F50 T62M1-S58 WeakPolarHBondContact CE-OG 3.29Å; Q44-S58 VanDerWaalsContact NE2-C 3.28Å; Q44-S58 PolarHBondContact NE2-O 2.85Å; F50-S58 WeakPolarHBondContact CA-O 3.35Å; F50-S58 WeakPolarHBondContact CB-O 3.42Å; F50-S58 PolarHBondContact N-O 2.65Å; F50-S58 PolarHBondContact O-N 3.28Å; S58-T62 VanDerWaalsContact CA-OG1 3.23Å; S58-T62 WeakPolarHBondContact CA-OG1 3.25Å; S58-T62 WeakPolarHBondContact CB-OG1 3.31Å
59D87.1Confident85.5Confident1 Ų128.9 Ų28.91%0.00517%0.17CC..  trans-129.1171.5177.6-41.9-34.3000108.3L49 L61 T62 T63 R245 F457L49-D59 WeakPolarHBondContact CA-OD1 3.31Å; L49-D59 WeakPolarHBondContact CB-OD1 3.28Å; L49-D59 HydrophobicContact CD2-CB 4.3Å; L49-D59 WeakPolarHBondContact CD2-OD1 3.45Å; L49-D59 WeakPolarHBondContact CD2-OD2 3.4Å; L49-D59 VanDerWaalsContact CG-OD1 3.3Å; L49-D59 WeakPolarHBondContact CG-OD1 3.38Å; D59-L61 PolarHBondContact O-N 3.44Å; D59-T62 PolarHBondContact N-OG1 2.88Å; D59-T62 PolarHBondContact O-N 2.9Å; D59-T62 PolarHBondContact O-OG1 2.94Å; D59-T63 PolarHBondContact O-N 2.92Å; D59-T63 VanDerWaalsContact O-N 3.12Å; D59-R245 IonicContact OD2-CZ 2.99Å; D59-R245 IonicContact OD2-NH1 3.16Å; D59-R245 PolarHBondContact OD2-NH1 3.11Å; D59-R245 IonicContact OD2-NH2 2.88Å; D59-R245 PolarHBondContact OD2-NH2 3.38Å; D59-F457 HydrophobicContact CB-CE1 4.34Å
60P87.1Confident87.1Confident33 Ų3326 Ų2621%0.21416%0.155CC..THydrogen-bonded Turntrans-70.9-11.8-171.227.5-34.9000112.7Q44 P64 G456 F457Q44-P60 VanDerWaalsContact OE1-CA 3.29Å; P60-P64 WeakPolarHBondContact O-CD 3.38Å; P60-P64 WeakPolarHBondContact O-CG 3.36Å; P60-G456 VanDerWaalsContact CB-O 3.23Å; P60-G456 WeakPolarHBondContact CB-O 3.44Å; P60-G456 VanDerWaalsContact CG-O 3.27Å; P60-G456 WeakPolarHBondContact CG-O 3.39Å; P60-F457 HydrophobicContact CG-CD1 4.09Å; P60-F457 HydrophobicContact CG-CE1 4.46Å
61L89.6Confident88.9Confident1 Ų123.4 Ų23.41%0.00514%0.143CC..THydrogen-bonded Turntrans-71.4-41.7165.3177.567.4000112.6D59 Y241 M244 V313 F457D59-L61 PolarHBondContact O-N 3.44Å; L61-Y241 HydrophobicContact CD2-CD2 3.59Å; L61-Y241 HydrophobicContact CD2-CE2 3.68Å; L61-Y241 HydrophobicContact CG-CD2 3.89Å; L61-Y241 HydrophobicContact CG-CE2 4.09Å; L61-M244 HydrophobicContact CD1-SD 3.41Å; L61-M244 WeakPolarHBondContact CD1-SD 3.41Å; L61-M244 HydrophobicContact CD2-CB 4.1Å; L61-M244 HydrophobicContact CD2-SD 4.25Å; L61-M244 HydrophobicContact CG-SD 4.49Å; L61-V313 HydrophobicContact CD1-CG2 3.36Å; L61-F457 HydrophobicContact CB-CE2 3.79Å; L61-F457 HydrophobicContact CB-CZ 3.88Å; L61-F457 HydrophobicContact CD2-CE2 4.1Å; L61-F457 HydrophobicContact CD2-CZ 4.38Å; L61-F457 HydrophobicContact CG-CE2 4.42Å
62T91.1Very high90.5Very high0 Ų020 Ų200%012%0.119CC..Hα-helixtrans-80.6-35.4-171.963.40000112.4S58 D59 L65 L66 F110 Y241S58-T62 VanDerWaalsContact CA-OG1 3.23Å; S58-T62 WeakPolarHBondContact CA-OG1 3.25Å; S58-T62 WeakPolarHBondContact CB-OG1 3.31Å; D59-T62 PolarHBondContact N-OG1 2.88Å; D59-T62 PolarHBondContact O-N 2.9Å; D59-T62 PolarHBondContact O-OG1 2.94Å; T62-L65 PolarHBondContact O-N 2.72Å; T62-L66 WeakPolarHBondContact O-CB 3.44Å; T62-L66 WeakPolarHBondContact O-CG 3.46Å; T62-L66 PolarHBondContact O-N 3.34Å; T62-F110 WeakPolarHBondContact CG2-O 3.44Å; T62-Y241 HydrophobicContact CG2-CE2 3.68Å
63T90.9Very high91.9Very high5 Ų518 Ų183%0.03110%0.104CC..Hα-helixtrans-64.2-41.3-171.749.40000112.9F41 D59 L66 M67F41-T63 HydrophobicContact CB-CG2 3.77Å; D59-T63 PolarHBondContact O-N 2.92Å; D59-T63 VanDerWaalsContact O-N 3.12Å; T63-L66 PolarHBondContact O-N 2.98Å; T63-M67 PolarHBondContact O-N 3.11Å
64P93.1Very high92.5Very high0 Ų016.2 Ų16.20%09%0.091CC..Hα-helixtrans-70.1-37.1177.1-2036000112.5P60 M67 L68 I317 I454P60-P64 WeakPolarHBondContact O-CD 3.38Å; P60-P64 WeakPolarHBondContact O-CG 3.36Å; P64-M67 PolarHBondContact O-N 3.01Å; P64-L68 WeakPolarHBondContact O-CB 3.29Å; P64-L68 PolarHBondContact O-N 3.11Å; P64-I317 HydrophobicContact CB-CD1 3.26Å; P64-I317 HydrophobicContact CB-CG1 3.97Å; P64-I317 HydrophobicContact CG-CD1 4.07Å; P64-I454 HydrophobicContact CB-CG2 4.09Å; P64-I454 HydrophobicContact CG-CG2 4.36Å
65L94.8Very high93.1Very high2 Ų211.2 Ų11.21%0.016%0.059CC..Hα-helixtrans-65.8-41.5176.9-67.1172000110.8T62 L68 T69 F110 K237 Y241T62-L65 PolarHBondContact O-N 2.72Å; L65-L68 PolarHBondContact O-N 3.3Å; L65-T69 WeakPolarHBondContact O-CG2 3.32Å; L65-T69 PolarHBondContact O-N 2.68Å; L65-F110 HydrophobicContact CB-CD1 3.98Å; L65-F110 HydrophobicContact CB-CD2 4.42Å; L65-F110 HydrophobicContact CB-CE1 3.97Å; L65-F110 HydrophobicContact CB-CE2 4.43Å; L65-F110 HydrophobicContact CB-CG 4.22Å; L65-F110 HydrophobicContact CB-CZ 4.2Å; L65-F110 HydrophobicContact CD1-CD1 3.88Å; 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 3.95Å; L65-K237 HydrophobicContact CD2-CG 4.2Å; L65-Y241 HydrophobicContact CD1-CD2 3.93Å; L65-Y241 HydrophobicContact CD1-CG 4.32Å
66L94.8Very high93.4Very high0 Ų08.6 Ų8.60%04%0.043CC..Hα-helixtrans-61-45.1172.1-78.8169.1000112.3M1 T62 T63 L68 T69 T70 I107 F110 T111M1-L66 HydrophobicContact CE-CD1 4.02Å; T62-L66 WeakPolarHBondContact O-CB 3.44Å; T62-L66 WeakPolarHBondContact O-CG 3.46Å; T62-L66 PolarHBondContact O-N 3.34Å; T63-L66 PolarHBondContact O-N 2.98Å; L66-L68 VanDerWaalsContact C-N 3.35Å; L66-L68 PolarHBondContact O-N 2.99Å; L66-T69 WeakPolarHBondContact CA-OG1 3.44Å; L66-T69 PolarHBondContact O-N 3.3Å; L66-T69 PolarHBondContact O-OG1 3.2Å; L66-T70 PolarHBondContact O-N 3.39Å; L66-T70 PolarHBondContact O-OG1 2.92Å; L66-I107 HydrophobicContact CD2-CB 4.38Å; L66-I107 HydrophobicContact CD2-CG1 4.4Å; L66-I107 HydrophobicContact CD2-CG2 4.19Å; L66-F110 HydrophobicContact CD2-CB 4.14Å; L66-F110 HydrophobicContact CG-CB 4.16Å; L66-T111 HydrophobicContact CD1-CG2 3.55Å; L66-T111 HydrophobicContact CD2-CG2 3.85Å; L66-T111 HydrophobicContact CG-CG2 4.16Å
67M94.3Very high93.7Very high35 Ų357.7 Ų7.717%0.1724%0.039CC..Hα-helixtrans-59.8-47.8176.1-174.1-179.968.600110.6L39 F42 T63 P64 T69 T70 W71 L447L39-M67 HydrophobicContact CD2-SD 4.13Å; F42-M67 HydrophobicContact CE2-CE 4.48Å; F42-M67 HydrophobicContact CE2-SD 3.52Å; F42-M67 VanDerWaalsContact CE2-SD 3.52Å; F42-M67 HydrophobicContact CZ-CB 4.34Å; F42-M67 HydrophobicContact CZ-CE 4.07Å; F42-M67 HydrophobicContact CZ-SD 3.66Å; T63-M67 PolarHBondContact O-N 3.11Å; P64-M67 PolarHBondContact O-N 3.01Å; M67-T69 VanDerWaalsContact C-N 3.34Å; M67-T69 PolarHBondContact O-N 2.9Å; M67-T70 PolarHBondContact O-N 3.32Å; M67-T70 PolarHBondContact O-OG1 3.42Å; M67-T70 VanDerWaalsContact O-OG1 3.11Å; M67-W71 WeakPolarHBondContact O-CB 3.48Å; M67-W71 PolarHBondContact O-N 3.26Å; M67-L447 HydrophobicContact CE-CD2 4.48Å
68L95.8Very high94.1Very high7 Ų79.5 Ų9.54%0.0375%0.047CC..Hα-helixtrans-58.5-44.5176.5-176.166.3000111.7P64 L65 L66 T70 W71 L72 A233 L321P64-L68 WeakPolarHBondContact O-CB 3.29Å; P64-L68 PolarHBondContact O-N 3.11Å; L65-L68 PolarHBondContact O-N 3.3Å; L66-L68 VanDerWaalsContact C-N 3.35Å; L66-L68 PolarHBondContact O-N 2.99Å; L68-T70 PolarHBondContact O-N 3.27Å; L68-W71 PolarHBondContact O-N 2.6Å; L68-L72 WeakPolarHBondContact O-CB 3.1Å; L68-L72 PolarHBondContact O-N 3.24Å; L68-A233 WeakPolarHBondContact CD2-O 3.23Å; L68-L321 HydrophobicContact CD1-CD2 3.55Å; L68-L321 HydrophobicContact CD1-CG 3.78Å
69T96.6Very high94.4Very high6 Ų69.5 Ų9.54%0.0375%0.048CC..Hα-helixtrans-63-43.4-179.264.40000113.2L65 L66 M67 L72 L106 F110 V234L65-T69 WeakPolarHBondContact O-CG2 3.32Å; L65-T69 PolarHBondContact O-N 2.68Å; L66-T69 WeakPolarHBondContact CA-OG1 3.44Å; L66-T69 PolarHBondContact O-N 3.3Å; L66-T69 PolarHBondContact O-OG1 3.2Å; M67-T69 VanDerWaalsContact C-N 3.34Å; M67-T69 PolarHBondContact O-N 2.9Å; T69-L72 PolarHBondContact O-N 3Å; T69-L106 HydrophobicContact CG2-CB 4.35Å; T69-F110 HydrophobicContact CG2-CD2 3.8Å; T69-F110 HydrophobicContact CG2-CE2 3.4Å; T69-F110 VanDerWaalsContact CG2-CE2 3.4Å; T69-F110 HydrophobicContact CG2-CZ 4.47Å; T69-V234 HydrophobicContact CG2-CB 4.35Å; T69-V234 HydrophobicContact CG2-CG1 3.45Å; T69-V234 VanDerWaalsContact CG2-CG1 3.45Å; T69-V234 HydrophobicContact CG2-CG2 3.88Å
70T96.1Very high94.8Very high0 Ų09.5 Ų9.50%05%0.048CC..Hα-helixtrans-76.3-34-178.354.90000112.1L4 P38 L66 M67 L68 L72 P74 I107L4-T70 HydrophobicContact CD1-CG2 4.11Å; L4-T70 HydrophobicContact CD2-CG2 3.86Å; L4-T70 HydrophobicContact CG-CG2 4.39Å; P38-T70 HydrophobicContact CG-CG2 4.02Å; P38-T70 WeakPolarHBondContact CG-OG1 3.46Å; L66-T70 PolarHBondContact O-N 3.39Å; L66-T70 PolarHBondContact O-OG1 2.92Å; M67-T70 PolarHBondContact O-N 3.32Å; M67-T70 PolarHBondContact O-OG1 3.42Å; M67-T70 VanDerWaalsContact O-OG1 3.11Å; L68-T70 PolarHBondContact O-N 3.27Å; T70-L72 VanDerWaalsContact C-N 3.34Å; T70-P74 WeakPolarHBondContact O-CD 3.36Å; T70-I107 HydrophobicContact CG2-CD1 4.24Å; T70-I107 HydrophobicContact CG2-CG1 4.3Å
71W97.3Very high95.1Very high52 Ų5210.4 Ų10.420%0.1975%0.049CC..Hα-helixtrans-62-42.3170.7-174.8-112.4000111.4L32 M67 L68 L73 P74 L75 M439 P443L32-W71 HydrophobicContact CD2-CZ3 4.36Å; M67-W71 WeakPolarHBondContact O-CB 3.48Å; M67-W71 PolarHBondContact O-N 3.26Å; L68-W71 PolarHBondContact O-N 2.6Å; W71-L73 PolarHBondContact O-N 3.47Å; W71-P74 WeakPolarHBondContact O-CD 3.45Å; W71-P74 VanDerWaalsContact O-CG 3.23Å; W71-P74 WeakPolarHBondContact O-CG 3.31Å; W71-L75 HydrophobicContact CD2-CD1 4.05Å; W71-L75 HydrophobicContact CG-CD1 4.1Å; W71-L75 HydrophobicContact CZ2-CD1 4.31Å; W71-L75 WeakPolarHBondContact O-CD1 3.38Å; W71-M439 HydrophobicContact CH2-SD 3.67Å; W71-M439 HydrophobicContact CZ2-CB 4.05Å; W71-M439 HydrophobicContact CZ2-CG 4.48Å; W71-M439 WeakPolarHBondContact CZ2-O 3.46Å; W71-M439 HydrophobicContact CZ2-SD 3.75Å; W71-M439 PolarHBondContact NE1-O 2.73Å; W71-M439 VanDerWaalsContact NE1-O 3.07Å; W71-P443 HydrophobicContact CZ2-CG 4.06Å
72L97.1Very high95.2Very high4 Ų416.1 Ų16.12%0.0217%0.071CC..Hα-helixtrans-66.6-31.9-172.3-161.476.3000114L68 T69 T70 L75 T76 M229 V230 A233 V234L68-L72 WeakPolarHBondContact O-CB 3.1Å; L68-L72 PolarHBondContact O-N 3.24Å; T69-L72 PolarHBondContact O-N 3Å; T70-L72 VanDerWaalsContact C-N 3.34Å; L72-L75 PolarHBondContact O-N 3.48Å; L72-L75 VanDerWaalsContact O-N 3.16Å; L72-T76 HydrophobicContact CD2-CG2 4.31Å; L72-T76 HydrophobicContact CG-CG2 3.95Å; L72-T76 WeakPolarHBondContact O-CG2 3.48Å; L72-T76 PolarHBondContact O-N 2.97Å; L72-M229 HydrophobicContact CD1-CE 4.3Å; L72-V230 HydrophobicContact CD2-CB 4.28Å; L72-V230 HydrophobicContact CD2-CG2 3.95Å; L72-A233 HydrophobicContact CD1-CB 3.9Å; L72-A233 HydrophobicContact CD2-CB 3.62Å; L72-A233 HydrophobicContact CG-CB 4.41Å; L72-V234 HydrophobicContact CD2-CG2 4.05Å
73L97.1Very high95.1Very high8 Ų819.6 Ų19.64%0.0429%0.087CC..Hα-helixtrans-55.7-55.7-176.5-171.8108.2000112.8L11 W71 L75 T76 I77 L99 I100 Q103L11-L73 HydrophobicContact CD1-CD2 4.02Å; W71-L73 PolarHBondContact O-N 3.47Å; L73-L75 PolarHBondContact O-N 3.12Å; L73-T76 PolarHBondContact O-N 3.49Å; L73-T76 VanDerWaalsContact O-N 3.11Å; L73-T76 PolarHBondContact O-OG1 2.88Å; L73-I77 HydrophobicContact CD2-CD1 3.57Å; L73-I77 HydrophobicContact CG-CD1 3.94Å; L73-I77 HydrophobicContact CG-CG1 4.43Å; L73-I77 WeakPolarHBondContact O-CG1 3.45Å; L73-I77 PolarHBondContact O-N 3.2Å; L73-L99 HydrophobicContact CD1-CB 4.17Å; L73-L99 WeakPolarHBondContact CD1-O 3.45Å; L73-I100 HydrophobicContact CD1-CG1 4.31Å; L73-Q103 HydrophobicContact CB-CG 4.44Å; L73-Q103 HydrophobicContact CD1-CB 3.76Å; L73-Q103 HydrophobicContact CD1-CG 4.26Å; L73-Q103 VanDerWaalsContact CD1-OE1 3.25Å; L73-Q103 VanDerWaalsContact CD2-OE1 3.31Å
74P97.3Very high95.2Very high1 Ų119.4 Ų19.41%0.0069%0.085CC..Hα-helixtrans-57.3-36.4177.816.6-27.8000112.9S31 L32 T70 W71 I77 M78S31-P74 WeakPolarHBondContact OG-CB 3.24Å; L32-P74 HydrophobicContact CD2-CB 3.74Å; L32-P74 HydrophobicContact CD2-CG 3.67Å; L32-P74 HydrophobicContact CG-CB 3.69Å; L32-P74 HydrophobicContact CG-CG 4Å; T70-P74 WeakPolarHBondContact O-CD 3.36Å; W71-P74 WeakPolarHBondContact O-CD 3.45Å; W71-P74 VanDerWaalsContact O-CG 3.23Å; W71-P74 WeakPolarHBondContact O-CG 3.31Å; P74-I77 PolarHBondContact O-N 3.32Å; P74-M78 WeakPolarHBondContact O-CG 3.38Å; P74-M78 PolarHBondContact O-N 3.33Å
75L97.4Very high95.1Very high3 Ų322.7 Ų22.72%0.01611%0.109CC..Hα-helixtrans-66.9-41.5177.5-71.687000111.5W71 L72 L73 I77 M78 A79 M229 M439 H440W71-L75 HydrophobicContact CD2-CD1 4.05Å; W71-L75 HydrophobicContact CG-CD1 4.1Å; W71-L75 HydrophobicContact CZ2-CD1 4.31Å; W71-L75 WeakPolarHBondContact O-CD1 3.38Å; L72-L75 PolarHBondContact O-N 3.48Å; L72-L75 VanDerWaalsContact O-N 3.16Å; L73-L75 PolarHBondContact O-N 3.12Å; L75-I77 VanDerWaalsContact C-N 3.32Å; L75-I77 PolarHBondContact O-N 3.31Å; L75-M78 PolarHBondContact O-N 3.24Å; L75-A79 WeakPolarHBondContact O-CB 3.4Å; L75-A79 PolarHBondContact O-N 3.3Å; L75-M229 HydrophobicContact CB-CE 3.93Å; L75-M439 HydrophobicContact CD2-CB 3.82Å; L75-M439 HydrophobicContact CG-CB 4.21Å; L75-H440 WeakPolarHBondContact CD2-CE1 3.35Å; L75-H440 WeakPolarHBondContact CD2-ND1 3.36Å
76T96.8Very high95Very high1 Ų127.6 Ų27.61%0.00614%0.143CC..Hα-helixtrans-65.7-35.4175.564.90000113L72 L73 A79 S80 A226 M229 V230L72-T76 HydrophobicContact CD2-CG2 4.31Å; L72-T76 HydrophobicContact CG-CG2 3.95Å; L72-T76 WeakPolarHBondContact O-CG2 3.48Å; L72-T76 PolarHBondContact O-N 2.97Å; L73-T76 PolarHBondContact O-N 3.49Å; L73-T76 VanDerWaalsContact O-N 3.11Å; L73-T76 PolarHBondContact O-OG1 2.88Å; T76-A79 PolarHBondContact O-N 3.41Å; T76-S80 WeakPolarHBondContact O-CB 3.39Å; T76-S80 PolarHBondContact O-N 3.48Å; T76-S80 VanDerWaalsContact O-N 3.13Å; T76-S80 PolarHBondContact O-OG 2.89Å; T76-A226 HydrophobicContact CG2-CB 4.31Å; T76-M229 HydrophobicContact CG2-CB 3.97Å; T76-M229 HydrophobicContact CG2-CE 3.98Å; T76-M229 HydrophobicContact CG2-SD 4.03Å; T76-V230 HydrophobicContact CG2-CG2 3.82Å
77I96.7Very high94.9Very high0 Ų030.1 Ų30.10%016%0.155CC..Hα-helixtrans-66.1-46.8175.1-64.2170.7000109.3W24 T28 L73 P74 L75 A79 S80 Q81 L96 L99W24-I77 HydrophobicContact CE3-CG2 3.54Å; W24-I77 HydrophobicContact CZ3-CG2 3.86Å; T28-I77 HydrophobicContact CG2-CB 3.88Å; T28-I77 HydrophobicContact CG2-CG2 3.38Å; L73-I77 HydrophobicContact CD2-CD1 3.57Å; L73-I77 HydrophobicContact CG-CD1 3.94Å; L73-I77 HydrophobicContact CG-CG1 4.43Å; L73-I77 WeakPolarHBondContact O-CG1 3.45Å; L73-I77 PolarHBondContact O-N 3.2Å; P74-I77 PolarHBondContact O-N 3.32Å; L75-I77 VanDerWaalsContact C-N 3.32Å; L75-I77 PolarHBondContact O-N 3.31Å; I77-A79 VanDerWaalsContact C-N 3.32Å; I77-A79 PolarHBondContact O-N 3.4Å; I77-S80 PolarHBondContact O-N 2.95Å; I77-S80 PolarHBondContact O-OG 2.97Å; I77-Q81 VanDerWaalsContact O-CG 3.3Å; I77-Q81 WeakPolarHBondContact O-CG 3.32Å; I77-Q81 PolarHBondContact O-N 3.1Å; I77-Q81 PolarHBondContact O-NE2 3.1Å; I77-L96 HydrophobicContact CB-CD2 4.48Å; I77-L96 HydrophobicContact CD1-CD2 4.27Å; I77-L96 HydrophobicContact CG1-CD2 3.86Å; I77-L96 HydrophobicContact CG2-CD2 3.94Å; I77-L99 HydrophobicContact CG1-CD1 4.49Å
78M96.4Very high95Very high40 Ų4031.3 Ų31.320%0.19717%0.165CC..Hα-helixtrans-60.1-40.9174.8-72.8-175.1175.100112.2T28 P74 L75 S80 R432 L436T28-M78 HydrophobicContact CG2-CG 4.1Å; P74-M78 WeakPolarHBondContact O-CG 3.38Å; P74-M78 PolarHBondContact O-N 3.33Å; L75-M78 PolarHBondContact O-N 3.24Å; M78-S80 PolarHBondContact O-N 2.87Å; M78-R432 WeakPolarHBondContact O-CD 3.35Å; M78-R432 PolarHBondContact O-NH1 2.93Å; M78-L436 HydrophobicContact CB-CD1 4.36Å
79A96.1Very high95Very high1 Ų134 Ų341%0.00818%0.179CC..Hα-helixtrans-62.9-42.4-178.700000112.9L75 T76 I77 I225 M229 R432 L436L75-A79 WeakPolarHBondContact O-CB 3.4Å; L75-A79 PolarHBondContact O-N 3.3Å; T76-A79 PolarHBondContact O-N 3.41Å; I77-A79 VanDerWaalsContact C-N 3.32Å; I77-A79 PolarHBondContact O-N 3.4Å; A79-I225 HydrophobicContact CB-CG1 3.93Å; A79-I225 HydrophobicContact CB-CG2 3.87Å; A79-M229 HydrophobicContact CB-SD 3.61Å; A79-R432 PolarHBondContact O-NH1 3.14Å; A79-L436 HydrophobicContact CB-CD1 3.63Å
80S95.1Very high94.9Very high1 Ų136.9 Ų36.91%0.00720%0.199CC..Hα-helixtrans-85.5-17.3-168.255.20000115.3T76 I77 M78 R82 H83 L84 Y95T76-S80 WeakPolarHBondContact O-CB 3.39Å; T76-S80 PolarHBondContact O-N 3.48Å; T76-S80 VanDerWaalsContact O-N 3.13Å; T76-S80 PolarHBondContact O-OG 2.89Å; I77-S80 PolarHBondContact O-N 2.95Å; I77-S80 PolarHBondContact O-OG 2.97Å; M78-S80 PolarHBondContact O-N 2.87Å; S80-R82 VanDerWaalsContact C-N 3.29Å; S80-R82 PolarHBondContact O-N 3.29Å; S80-H83 PolarHBondContact O-N 2.8Å; S80-L84 PolarHBondContact O-N 3.44Å; S80-Y95 WeakPolarHBondContact CB-OH 3.48Å; S80-Y95 WeakPolarHBondContact OG-CE1 3.26Å
81Q92.8Very high94.9Very high51 Ų5141.6 Ų41.624%0.23822%0.217CC..THydrogen-bonded Turntrans-51.7-42.1-177-82.8165.723.600114.4W24 I77 S85W24-Q81 HydrophobicContact CB-CG 4.23Å; W24-Q81 HydrophobicContact CD2-CG 3.42Å; W24-Q81 VanDerWaalsContact CD2-CG 3.42Å; W24-Q81 HydrophobicContact CE3-CB 4.47Å; W24-Q81 HydrophobicContact CE3-CG 3.24Å; W24-Q81 HydrophobicContact CG-CG 3.86Å; W24-Q81 HydrophobicContact CH2-CG 4.24Å; W24-Q81 HydrophobicContact CZ2-CG 4.4Å; W24-Q81 HydrophobicContact CZ3-CG 3.66Å; I77-Q81 VanDerWaalsContact O-CG 3.3Å; I77-Q81 WeakPolarHBondContact O-CG 3.32Å; I77-Q81 PolarHBondContact O-N 3.1Å; I77-Q81 PolarHBondContact O-NE2 3.1Å; Q81-S85 PolarHBondContact O-N 3.46Å
82R91.3Very high94.9Very high121 Ų12140.5 Ų40.546%0.45721%0.214SC..THydrogen-bonded Turntrans-71-50.6-172.8-178.859.8-177.8174.69.9111.7S80 L84 S85 E335S80-R82 VanDerWaalsContact C-N 3.29Å; S80-R82 PolarHBondContact O-N 3.29Å; R82-L84 VanDerWaalsContact C-N 3.28Å; R82-L84 PolarHBondContact O-N 3.43Å; R82-S85 VanDerWaalsContact O-CB 3.24Å; R82-S85 WeakPolarHBondContact O-CB 3.34Å; R82-S85 PolarHBondContact O-N 3.39Å; R82-S85 VanDerWaalsContact O-N 3.15Å; R82-S85 PolarHBondContact O-OG 2.76Å; R82-E335 VanDerWaalsContact CG-OE2 3.31Å; R82-E335 WeakPolarHBondContact CG-OE2 3.29Å
83H89.4Confident94.8Very high73 Ų7341.6 Ų41.634%0.33822%0.218SC..G310 helixtrans-61.9-38.1179.1175.462.7000111.9S80 S85 N138S80-H83 PolarHBondContact O-N 2.8Å; H83-S85 PolarHBondContact O-N 3.22Å; H83-N138 PolarHBondContact CE1-OD1 3.42Å; H83-N138 PolarHBondContact NE2-OD1 3.48Å
84L93.3Very high94.9Very high1 Ų144.8 Ų44.81%0.00524%0.235CC..G310 helixtrans-800.9179.4-68.6168.8000113.7W24 S80 R82 S86 E87 K92 Y95 W136W24-L84 HydrophobicContact CH2-CB 4.38Å; W24-L84 HydrophobicContact CH2-CD1 3.81Å; W24-L84 HydrophobicContact CZ2-CB 4.26Å; W24-L84 HydrophobicContact CZ2-CD1 4.42Å; S80-L84 PolarHBondContact O-N 3.44Å; R82-L84 VanDerWaalsContact C-N 3.28Å; R82-L84 PolarHBondContact O-N 3.43Å; L84-S86 PolarHBondContact O-N 3.36Å; L84-E87 HydrophobicContact CD2-CG 3.92Å; L84-E87 PolarHBondContact O-N 3.42Å; L84-K92 WeakPolarHBondContact O-CE 3.15Å; L84-K92 PolarHBondContact O-NZ 3.34Å; L84-Y95 HydrophobicContact CD1-CD1 3.25Å; L84-Y95 HydrophobicContact CD1-CD2 4.13Å; L84-Y95 HydrophobicContact CD1-CE1 3.36Å; L84-Y95 HydrophobicContact CD1-CE2 4.21Å; L84-Y95 HydrophobicContact CD1-CG 3.62Å; L84-W136 HydrophobicContact CD2-CG 4.49Å
85S91.3Very high94.9Very high70 Ų7044.9 Ų44.949%0.4924%0.236SC..G310 helixtrans-58.7-33.3-173.160.90000113.3Q81 R82 H83 K92Q81-S85 PolarHBondContact O-N 3.46Å; R82-S85 VanDerWaalsContact O-CB 3.24Å; R82-S85 WeakPolarHBondContact O-CB 3.34Å; R82-S85 PolarHBondContact O-N 3.39Å; R82-S85 VanDerWaalsContact O-N 3.15Å; R82-S85 PolarHBondContact O-OG 2.76Å; H83-S85 PolarHBondContact O-N 3.22Å; S85-K92 PolarHBondContact O-NZ 2.98Å
86S91.6Very high94.9Very high104 Ų10444.7 Ų44.773%0.72724%0.235SC*.G310 helixtrans-80.5-15.3178.153.20000114.8L84L84-S86 PolarHBondContact O-N 3.36Å
87E93.8Very high94.9Very high53 Ų5345.4 Ų45.425%0.24824%0.239CC..SBendtrans-72.5150.2-176.2-73.5-70.2154.500112.5L84 R91 K92L84-E87 HydrophobicContact CD2-CG 3.92Å; L84-E87 PolarHBondContact O-N 3.42Å; E87-R91 WeakPolarHBondContact OE2-CD 3.34Å; E87-R91 IonicContact OE2-CZ 3.16Å; E87-R91 IonicContact OE2-NE 2.73Å; E87-R91 IonicContact OE2-NH1 2.69Å; E87-R91 PolarHBondContact OE2-NH1 3.17Å; E87-R91 VanDerWaalsContact OE2-NH1 3.1Å; E87-K92 HydrophobicContact CB-CG 4.22Å; E87-K92 WeakPolarHBondContact O-CE 3.07Å; E87-K92 PolarHBondContact O-NZ 2.94Å
88P95.8Very high95Very high60 Ų6047.6 Ų47.639%0.3925%0.25SS..  trans-64.1155.9173.829.2-34.8000111.4S90 R91 K92P88-S90 VanDerWaalsContact C-N 3.33Å; P88-S90 PolarHBondContact O-N 3.39Å; P88-R91 HydrophobicContact CG-CB 4.06Å; P88-R91 HydrophobicContact CG-CG 3.82Å; P88-R91 PolarHBondContact O-N 2.98Å; P88-R91 VanDerWaalsContact O-N 3.13Å; P88-K92 PolarHBondContact O-N 2.71Å; P88-K92 VanDerWaalsContact O-N 3.1Å
89L95.1Very high95Very high64 Ų6445.9 Ų45.934%0.33524%0.242SC..Hα-helixtrans-58.1-42.2-171.9-172.461.1000113.5K20 I23 R91 K92 K93K20-L89 HydrophobicContact CB-CD1 4.24Å; K20-L89 HydrophobicContact CB-CD2 4.21Å; K20-L89 HydrophobicContact CG-CD1 3.82Å; K20-L89 HydrophobicContact CG-CD2 4.3Å; I23-L89 HydrophobicContact CD1-CD1 3.28Å; I23-L89 HydrophobicContact CD1-CG 4.26Å; L89-R91 VanDerWaalsContact C-N 3.33Å; L89-R91 PolarHBondContact O-N 2.94Å; L89-K92 PolarHBondContact O-N 3.05Å; L89-K93 PolarHBondContact O-N 3.42Å
90S96.1Very high95.1Very high66 Ų6645.9 Ų45.946%0.46224%0.242SC..Hα-helixtrans-61-42179.153.40000111.6P88 K93 L94P88-S90 VanDerWaalsContact C-N 3.33Å; P88-S90 PolarHBondContact O-N 3.39Å; S90-K93 PolarHBondContact O-N 3.39Å; S90-L94 WeakPolarHBondContact O-CB 3.5Å; S90-L94 WeakPolarHBondContact O-CG 3.28Å; S90-L94 PolarHBondContact O-N 3.09Å
91R95.8Very high95.3Very high99 Ų9947.6 Ų47.637%0.37425%0.254SS..Hα-helixtrans-70.1-34.7178.1-67.5-177.6-169.7173.71.7112.6E87 P88 L89 L94 Y95E87-R91 WeakPolarHBondContact OE2-CD 3.34Å; E87-R91 IonicContact OE2-CZ 3.16Å; E87-R91 IonicContact OE2-NE 2.73Å; E87-R91 IonicContact OE2-NH1 2.69Å; E87-R91 PolarHBondContact OE2-NH1 3.17Å; E87-R91 VanDerWaalsContact OE2-NH1 3.1Å; P88-R91 HydrophobicContact CG-CB 4.06Å; P88-R91 HydrophobicContact CG-CG 3.82Å; P88-R91 PolarHBondContact O-N 2.98Å; P88-R91 VanDerWaalsContact O-N 3.13Å; L89-R91 VanDerWaalsContact C-N 3.33Å; L89-R91 PolarHBondContact O-N 2.94Å; R91-L94 PolarHBondContact O-N 2.81Å; R91-Y95 WeakPolarHBondContact O-CB 3.33Å; R91-Y95 PolarHBondContact O-N 2.92Å
92K96Very high95.5Very high30 Ų3045.3 Ų45.313%0.1324%0.243CC..Hα-helixtrans-61.2-46.1170.9-71.8171.1172.4150.30111.5W24 L84 S85 E87 P88 L89 Y95 L96W24-K92 HydrophobicContact CZ2-CB 4.44Å; W24-K92 HydrophobicContact CZ2-CG 4.3Å; L84-K92 WeakPolarHBondContact O-CE 3.15Å; L84-K92 PolarHBondContact O-NZ 3.34Å; S85-K92 PolarHBondContact O-NZ 2.98Å; E87-K92 HydrophobicContact CB-CG 4.22Å; E87-K92 WeakPolarHBondContact O-CE 3.07Å; E87-K92 PolarHBondContact O-NZ 2.94Å; P88-K92 PolarHBondContact O-N 2.71Å; P88-K92 VanDerWaalsContact O-N 3.1Å; L89-K92 PolarHBondContact O-N 3.05Å; K92-Y95 PolarHBondContact O-N 3.19Å; K92-L96 PolarHBondContact O-N 3.18Å; K92-L96 VanDerWaalsContact O-N 3.11Å
93K96.6Very high95.8Very high26 Ų2639.8 Ų39.811%0.11322%0.222CC..Hα-helixtrans-62.9-44.1176.3-72.3-177.3172.4-172.30111.6T15 W16 I23 L89 S90 Y95 L96 S97T15-K93 VanDerWaalsContact O-CE 3.26Å; T15-K93 WeakPolarHBondContact O-CE 3.33Å; W16-K93 HydrophobicContact CD2-CB 4.46Å; W16-K93 HydrophobicContact CD2-CD 4.44Å; W16-K93 HydrophobicContact CE3-CB 4.47Å; W16-K93 HydrophobicContact CE3-CD 4.04Å; W16-K93 HydrophobicContact CH2-CB 4.49Å; W16-K93 HydrophobicContact CZ2-CB 4.46Å; W16-K93 HydrophobicContact CZ3-CB 4.49Å; W16-K93 HydrophobicContact CZ3-CD 4.48Å; W16-K93 PolarHBondContact O-NZ 2.99Å; I23-K93 HydrophobicContact CD1-CD 4.34Å; I23-K93 VanDerWaalsContact CD1-CE 3.41Å; I23-K93 HydrophobicContact CD1-CG 3.98Å; L89-K93 PolarHBondContact O-N 3.42Å; S90-K93 PolarHBondContact O-N 3.39Å; K93-Y95 PolarHBondContact O-N 3.37Å; K93-L96 PolarHBondContact O-N 3.2Å; K93-S97 WeakPolarHBondContact O-CB 3.42Å; K93-S97 PolarHBondContact O-N 2.89Å; K93-S97 PolarHBondContact O-OG 3.48Å
94L97.5Very high96.2Very high76 Ų7637.7 Ų37.740%0.39821%0.214SC..Hα-helixtrans-59.5-46.6175.3-74.6167.5000111.7W16 S90 R91 L96 S97 M98 W136W16-L94 HydrophobicContact CH2-CD2 4.1Å; W16-L94 HydrophobicContact CH2-CG 4.25Å; W16-L94 HydrophobicContact CZ2-CD2 3.87Å; W16-L94 HydrophobicContact CZ2-CG 4.29Å; S90-L94 WeakPolarHBondContact O-CB 3.5Å; S90-L94 WeakPolarHBondContact O-CG 3.28Å; S90-L94 PolarHBondContact O-N 3.09Å; R91-L94 PolarHBondContact O-N 2.81Å; L94-L96 PolarHBondContact O-N 3.01Å; L94-S97 WeakPolarHBondContact CA-OG 3.4Å; L94-S97 PolarHBondContact O-N 3.19Å; L94-S97 VanDerWaalsContact O-N 3.14Å; L94-S97 PolarHBondContact O-OG 3.5Å; L94-M98 WeakPolarHBondContact O-CG 3.47Å; L94-M98 PolarHBondContact O-N 2.8Å; L94-W136 HydrophobicContact CB-CH2 4.36Å; L94-W136 HydrophobicContact CB-CZ2 4.32Å
95Y97.4Very high96.3Very high2 Ų238.1 Ų38.11%0.00822%0.217CC..Hα-helixtrans-56.8-48.2177.4-177.2-98.8000112.5S80 L84 R91 K92 K93 S97 M98 L99 I132 W136 P224 A226S80-Y95 WeakPolarHBondContact CB-OH 3.48Å; S80-Y95 WeakPolarHBondContact OG-CE1 3.26Å; L84-Y95 HydrophobicContact CD1-CD1 3.25Å; L84-Y95 HydrophobicContact CD1-CD2 4.13Å; L84-Y95 HydrophobicContact CD1-CE1 3.36Å; L84-Y95 HydrophobicContact CD1-CE2 4.21Å; L84-Y95 HydrophobicContact CD1-CG 3.62Å; R91-Y95 WeakPolarHBondContact O-CB 3.33Å; R91-Y95 PolarHBondContact O-N 2.92Å; K92-Y95 PolarHBondContact O-N 3.19Å; K93-Y95 PolarHBondContact O-N 3.37Å; Y95-S97 VanDerWaalsContact C-N 3.33Å; Y95-S97 PolarHBondContact O-N 2.87Å; Y95-M98 PolarHBondContact O-N 3.04Å; Y95-L99 HydrophobicContact CD1-CD1 3.92Å; Y95-L99 HydrophobicContact CE1-CD1 3.46Å; Y95-L99 VanDerWaalsContact CE1-CD1 3.46Å; Y95-L99 HydrophobicContact CE1-CG 4.22Å; Y95-L99 PolarHBondContact O-N 2.96Å; Y95-L99 VanDerWaalsContact O-N 3.07Å; Y95-I132 HydrophobicContact CE2-CG2 4.2Å; Y95-W136 HydrophobicContact CD2-CB 4.32Å; 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 3.66Å; Y95-W136 AromaticContact CD2-CE3 3.77Å; Y95-W136 HydrophobicContact CD2-CE3 3.77Å; Y95-W136 AromaticContact CD2-CG 3.75Å; Y95-W136 HydrophobicContact CD2-CG 3.75Å; Y95-W136 HydrophobicContact CD2-CH2 4.34Å; Y95-W136 HydrophobicContact CD2-CZ2 4.11Å; Y95-W136 HydrophobicContact CD2-CZ3 4.19Å; Y95-W136 HydrophobicContact CE2-CB 4.14Å; Y95-W136 HydrophobicContact CE2-CD2 4.13Å; Y95-W136 HydrophobicContact CE2-CE3 4.37Å; Y95-W136 HydrophobicContact CE2-CG 4.06Å; Y95-W136 HydrophobicContact CG-CD2 4.45Å; Y95-W136 HydrophobicContact CG-CZ2 4.41Å; Y95-P224 HydrophobicContact CE2-CG 4.39Å; Y95-A226 HydrophobicContact CE1-CB 4.46Å; Y95-A226 WeakPolarHBondContact OH-CB 2.91Å
96L97.4Very high96.6Very high0 Ų035 Ų350%020%0.195CC..Hα-helixtrans-62.8-40.6176.3-72.1170.7000111.8T15 I23 W24 T27 I77 K92 K93 L94 M98 L99 I100T15-L96 HydrophobicContact CG2-CB 4.26Å; I23-L96 HydrophobicContact CG2-CD1 3.39Å; W24-L96 HydrophobicContact CD2-CD1 4.49Å; W24-L96 HydrophobicContact CE3-CD1 4.17Å; W24-L96 HydrophobicContact CE3-CD2 4.02Å; W24-L96 HydrophobicContact CH2-CD1 4.47Å; W24-L96 HydrophobicContact CH2-CD2 4.29Å; W24-L96 HydrophobicContact CH2-CG 4.35Å; W24-L96 HydrophobicContact CZ3-CD1 4.19Å; W24-L96 HydrophobicContact CZ3-CD2 3.6Å; W24-L96 HydrophobicContact CZ3-CG 4.09Å; T27-L96 HydrophobicContact CG2-CD1 4.42Å; I77-L96 HydrophobicContact CB-CD2 4.48Å; I77-L96 HydrophobicContact CD1-CD2 4.27Å; I77-L96 HydrophobicContact CG1-CD2 3.86Å; I77-L96 HydrophobicContact CG2-CD2 3.94Å; K92-L96 PolarHBondContact O-N 3.18Å; K92-L96 VanDerWaalsContact O-N 3.11Å; K93-L96 PolarHBondContact O-N 3.2Å; L94-L96 PolarHBondContact O-N 3.01Å; L96-M98 VanDerWaalsContact C-N 3.28Å; L96-M98 PolarHBondContact O-N 2.95Å; L96-L99 PolarHBondContact O-N 3.34Å; L96-I100 WeakPolarHBondContact O-CD1 3.36Å; L96-I100 VanDerWaalsContact O-CG1 3.31Å; L96-I100 WeakPolarHBondContact O-CG1 3.49Å; L96-I100 PolarHBondContact O-N 3.45Å
97S97.9Very high96.9Very high15 Ų1530.1 Ų30.111%0.10516%0.16CC..Hα-helixtrans-63.4-33.4176.272.50000112.6K93 L94 Y95 I100 S101K93-S97 WeakPolarHBondContact O-CB 3.42Å; K93-S97 PolarHBondContact O-N 2.89Å; K93-S97 PolarHBondContact O-OG 3.48Å; L94-S97 WeakPolarHBondContact CA-OG 3.4Å; L94-S97 PolarHBondContact O-N 3.19Å; L94-S97 VanDerWaalsContact O-N 3.14Å; L94-S97 PolarHBondContact O-OG 3.5Å; Y95-S97 VanDerWaalsContact C-N 3.33Å; Y95-S97 PolarHBondContact O-N 2.87Å; S97-I100 PolarHBondContact O-N 3.1Å; S97-S101 WeakPolarHBondContact O-CB 3.45Å; S97-S101 PolarHBondContact O-N 2.88Å; S97-S101 PolarHBondContact O-OG 3.36Å
98M97.9Very high97Very high46 Ų4628.8 Ų28.823%0.22715%0.154CC..Hα-helixtrans-70.8-37.2173.9-61.8-48.6-105.400112.2L94 Y95 L96 S101 L102 P128 A131 I132 W136L94-M98 WeakPolarHBondContact O-CG 3.47Å; L94-M98 PolarHBondContact O-N 2.8Å; Y95-M98 PolarHBondContact O-N 3.04Å; L96-M98 VanDerWaalsContact C-N 3.28Å; L96-M98 PolarHBondContact O-N 2.95Å; M98-S101 WeakPolarHBondContact CA-OG 3.47Å; M98-S101 PolarHBondContact O-OG 3.49Å; M98-S101 VanDerWaalsContact O-OG 3.05Å; M98-L102 VanDerWaalsContact O-CB 3.26Å; M98-L102 WeakPolarHBondContact O-CB 3.12Å; M98-L102 PolarHBondContact O-N 3.32Å; M98-P128 WeakPolarHBondContact O-CB 3.48Å; M98-A131 HydrophobicContact CE-CB 3.22Å; M98-I132 HydrophobicContact CB-CD1 4.11Å; M98-I132 HydrophobicContact CB-CG1 3.96Å; M98-W136 HydrophobicContact CG-CH2 4.24Å; M98-W136 HydrophobicContact CG-CZ3 4.28Å
99L97.8Very high97Very high4 Ų425.9 Ų25.92%0.02114%0.136CC..Hα-helixtrans-65.8-40.3173.3-70.8175.1000111.8L73 I77 Y95 L96 L102 Q103 I132 A226L73-L99 HydrophobicContact CD1-CB 4.17Å; L73-L99 WeakPolarHBondContact CD1-O 3.45Å; I77-L99 HydrophobicContact CG1-CD1 4.49Å; Y95-L99 HydrophobicContact CD1-CD1 3.92Å; Y95-L99 HydrophobicContact CE1-CD1 3.46Å; Y95-L99 VanDerWaalsContact CE1-CD1 3.46Å; Y95-L99 HydrophobicContact CE1-CG 4.22Å; Y95-L99 PolarHBondContact O-N 2.96Å; Y95-L99 VanDerWaalsContact O-N 3.07Å; L96-L99 PolarHBondContact O-N 3.34Å; L99-L102 WeakPolarHBondContact O-CB 3.49Å; L99-L102 PolarHBondContact O-N 3.17Å; L99-Q103 PolarHBondContact O-N 3.29Å; L99-I132 HydrophobicContact CD2-CD1 3.72Å; L99-I132 HydrophobicContact CG-CD1 4.3Å; L99-A226 HydrophobicContact CD1-CB 4.16Å; L99-A226 HydrophobicContact CD2-CB 3.87Å
100I97.9Very high97Very high1 Ų122.9 Ų22.91%0.00512%0.12CC..Hα-helixtrans-69.3-43.5178.3-68.4159.1000111T8 L11 L12 T15 L73 L96 S97 L102 Q103 I104T8-I100 WeakPolarHBondContact O-CG2 3.31Å; L11-I100 HydrophobicContact CB-CD1 3.67Å; L11-I100 HydrophobicContact CB-CG1 4.07Å; 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 3.84Å; L12-I100 HydrophobicContact CG-CG2 3.87Å; T15-I100 HydrophobicContact CG2-CD1 3.28Å; L73-I100 HydrophobicContact CD1-CG1 4.31Å; L96-I100 WeakPolarHBondContact O-CD1 3.36Å; L96-I100 VanDerWaalsContact O-CG1 3.31Å; L96-I100 WeakPolarHBondContact O-CG1 3.49Å; L96-I100 PolarHBondContact O-N 3.45Å; S97-I100 PolarHBondContact O-N 3.1Å; I100-L102 VanDerWaalsContact C-N 3.29Å; I100-L102 PolarHBondContact O-N 2.97Å; I100-Q103 PolarHBondContact O-N 2.67Å; I100-Q103 VanDerWaalsContact O-N 3.16Å; I100-I104 HydrophobicContact CG2-CD1 3.86Å; I100-I104 HydrophobicContact CG2-CG1 4.44Å; I100-I104 VanDerWaalsContact O-CG1 3.29Å; I100-I104 WeakPolarHBondContact O-CG1 3.43Å; I100-I104 PolarHBondContact O-N 3.32Å
101S98Very high96.9Very high37 Ų3719.8 Ų19.826%0.25910%0.098SC..Hα-helixtrans-63.8-36.7175.7670000111.9S97 M98 I104 S105 P128S97-S101 WeakPolarHBondContact O-CB 3.45Å; S97-S101 PolarHBondContact O-N 2.88Å; S97-S101 PolarHBondContact O-OG 3.36Å; M98-S101 WeakPolarHBondContact CA-OG 3.47Å; M98-S101 PolarHBondContact O-OG 3.49Å; M98-S101 VanDerWaalsContact O-OG 3.05Å; S101-I104 PolarHBondContact O-N 2.94Å; S101-S105 PolarHBondContact O-N 3.41Å; S101-S105 PolarHBondContact O-OG 2.82Å; S101-P128 WeakPolarHBondContact OG-CG 3.24Å
102L97.7Very high96.9Very high3 Ų315 Ų152%0.0168%0.08CC..Hα-helixtrans-60.4-47.3170.7-174.653.7000111.4M98 L99 I100 I104 S105 L106 T125 P128 T129 I132 V230M98-L102 VanDerWaalsContact O-CB 3.26Å; M98-L102 WeakPolarHBondContact O-CB 3.12Å; M98-L102 PolarHBondContact O-N 3.32Å; L99-L102 WeakPolarHBondContact O-CB 3.49Å; L99-L102 PolarHBondContact O-N 3.17Å; I100-L102 VanDerWaalsContact C-N 3.29Å; I100-L102 PolarHBondContact O-N 2.97Å; L102-I104 PolarHBondContact O-N 3.41Å; L102-S105 PolarHBondContact O-N 2.88Å; L102-S105 PolarHBondContact O-OG 2.93Å; L102-L106 HydrophobicContact CD1-CD1 4.13Å; L102-L106 HydrophobicContact CD1-CG 4.27Å; L102-L106 HydrophobicContact CG-CD1 3.95Å; L102-L106 WeakPolarHBondContact O-CB 3.36Å; L102-L106 VanDerWaalsContact O-CG 3.26Å; L102-L106 WeakPolarHBondContact O-CG 3.45Å; L102-L106 PolarHBondContact O-N 3.3Å; L102-T125 HydrophobicContact CD1-CG2 4.5Å; L102-P128 HydrophobicContact CB-CB 3.85Å; L102-P128 HydrophobicContact CB-CG 4.37Å; L102-P128 HydrophobicContact CD1-CB 4.35Å; L102-T129 HydrophobicContact CD1-CG2 3.51Å; L102-T129 HydrophobicContact CD2-CG2 3.56Å; L102-T129 HydrophobicContact CG-CG2 4.19Å; L102-I132 HydrophobicContact CD2-CD1 4.33Å; L102-V230 HydrophobicContact CD2-CB 4.05Å; L102-V230 HydrophobicContact CD2-CG1 3.52Å; L102-V230 HydrophobicContact CD2-CG2 4.21Å; L102-V230 HydrophobicContact CG-CG1 4.13Å
103Q97.1Very high96.7Very high5 Ų513.7 Ų13.72%0.0237%0.074CC..Hα-helixtrans-60.8-44.7177.2-166.7-166.1-1.300111.8L73 L99 I100 S105 L106 I107L73-Q103 HydrophobicContact CB-CG 4.44Å; L73-Q103 HydrophobicContact CD1-CB 3.76Å; L73-Q103 HydrophobicContact CD1-CG 4.26Å; L73-Q103 VanDerWaalsContact CD1-OE1 3.25Å; L73-Q103 VanDerWaalsContact CD2-OE1 3.31Å; L99-Q103 PolarHBondContact O-N 3.29Å; I100-Q103 PolarHBondContact O-N 2.67Å; I100-Q103 VanDerWaalsContact O-N 3.16Å; Q103-S105 PolarHBondContact O-N 3.12Å; Q103-L106 PolarHBondContact O-N 3.38Å; Q103-I107 HydrophobicContact CG-CD1 3.78Å; Q103-I107 HydrophobicContact CG-CG1 4.48Å; Q103-I107 WeakPolarHBondContact O-CD1 3.29Å; Q103-I107 WeakPolarHBondContact O-CG1 3.23Å; Q103-I107 PolarHBondContact O-N 3.35Å
104I97.2Very high96.6Very high30 Ų3016.3 Ų16.315%0.1549%0.087CC..Hα-helixtrans-58-50.7177.6-66.7160.2000110I9 L12 I100 S101 L102 L106 I107 M108I9-I104 HydrophobicContact CB-CD1 4.5Å; I9-I104 HydrophobicContact CG1-CD1 3.89Å; I9-I104 HydrophobicContact CG1-CG1 4.31Å; I9-I104 HydrophobicContact CG1-CG2 4.45Å; L12-I104 HydrophobicContact CD1-CD1 4.28Å; I100-I104 HydrophobicContact CG2-CD1 3.86Å; I100-I104 HydrophobicContact CG2-CG1 4.44Å; I100-I104 VanDerWaalsContact O-CG1 3.29Å; I100-I104 WeakPolarHBondContact O-CG1 3.43Å; I100-I104 PolarHBondContact O-N 3.32Å; S101-I104 PolarHBondContact O-N 2.94Å; L102-I104 PolarHBondContact O-N 3.41Å; I104-L106 VanDerWaalsContact C-N 3.32Å; I104-L106 PolarHBondContact O-N 3.33Å; I104-I107 PolarHBondContact O-N 3.08Å; I104-M108 WeakPolarHBondContact O-CG 3.42Å; I104-M108 PolarHBondContact O-N 3.01Å; I104-M108 VanDerWaalsContact O-N 3.12Å
105S97.4Very high96.4Very high10 Ų1012.7 Ų12.77%0.077%0.068CC..Hα-helixtrans-58.7-43.6177.759.40000111.8S101 L102 Q103 M108 T109 T124 T125S101-S105 PolarHBondContact O-N 3.41Å; S101-S105 PolarHBondContact O-OG 2.82Å; L102-S105 PolarHBondContact O-N 2.88Å; L102-S105 PolarHBondContact O-OG 2.93Å; Q103-S105 PolarHBondContact O-N 3.12Å; S105-M108 PolarHBondContact O-N 3.46Å; S105-T109 WeakPolarHBondContact O-CG2 3.35Å; S105-T109 PolarHBondContact O-N 3.45Å; S105-T124 WeakPolarHBondContact CB-OG1 3.29Å; S105-T125 WeakPolarHBondContact OG-CG2 3.4Å
106L97.3Very high96.3Very high5 Ų514.9 Ų14.93%0.0268%0.079CC..Hα-helixtrans-62.9-45.2178.8-73.1169.3000113.3T69 L102 Q103 I104 M108 T109 F110 T125 V230 V234 L235 L238T69-L106 HydrophobicContact CG2-CB 4.35Å; L102-L106 HydrophobicContact CD1-CD1 4.13Å; L102-L106 HydrophobicContact CD1-CG 4.27Å; L102-L106 HydrophobicContact CG-CD1 3.95Å; L102-L106 WeakPolarHBondContact O-CB 3.36Å; L102-L106 VanDerWaalsContact O-CG 3.26Å; L102-L106 WeakPolarHBondContact O-CG 3.45Å; L102-L106 PolarHBondContact O-N 3.3Å; Q103-L106 PolarHBondContact O-N 3.38Å; I104-L106 VanDerWaalsContact C-N 3.32Å; I104-L106 PolarHBondContact O-N 3.33Å; L106-M108 VanDerWaalsContact C-N 3.25Å; L106-M108 PolarHBondContact O-N 3.49Å; L106-T109 WeakPolarHBondContact CA-OG1 3.47Å; L106-T109 PolarHBondContact O-N 3.09Å; L106-T109 PolarHBondContact O-OG1 3.14Å; L106-F110 HydrophobicContact CD2-CE2 4.42Å; L106-F110 WeakPolarHBondContact O-CD2 3.38Å; L106-F110 PolarHBondContact O-N 2.86Å; L106-F110 VanDerWaalsContact O-N 3.15Å; L106-T125 HydrophobicContact CD2-CG2 3.77Å; L106-T125 HydrophobicContact CG-CG2 4.14Å; L106-V230 HydrophobicContact CD1-CG1 3.92Å; L106-V234 HydrophobicContact CD1-CB 4.37Å; L106-V234 HydrophobicContact CD1-CG1 3.91Å; L106-V234 HydrophobicContact CD2-CG1 3.67Å; L106-V234 HydrophobicContact CG-CG1 4.29Å; L106-L235 HydrophobicContact CD2-CD2 4.01Å; L106-L238 HydrophobicContact CD2-CD1 3.78Å; L106-L238 HydrophobicContact CD2-CD2 4.19Å; L106-L238 HydrophobicContact CD2-CG 4.2Å
107I96.4Very high96.3Very high0 Ų016.8 Ų16.80%09%0.089CC..Hα-helixtrans-58.3-43.5176.1-70.9154.1000110.5L4 I5 T8 L66 T70 Q103 I104 T111L4-I107 HydrophobicContact CD2-CB 4.17Å; L4-I107 HydrophobicContact CD2-CD1 3.2Å; L4-I107 HydrophobicContact CD2-CG1 3.58Å; L4-I107 HydrophobicContact CD2-CG2 3.54Å; I5-I107 HydrophobicContact CG1-CG2 4.02Å; T8-I107 HydrophobicContact CG2-CD1 3.68Å; L66-I107 HydrophobicContact CD2-CB 4.38Å; L66-I107 HydrophobicContact CD2-CG1 4.4Å; L66-I107 HydrophobicContact CD2-CG2 4.19Å; T70-I107 HydrophobicContact CG2-CD1 4.24Å; T70-I107 HydrophobicContact CG2-CG1 4.3Å; Q103-I107 HydrophobicContact CG-CD1 3.78Å; Q103-I107 HydrophobicContact CG-CG1 4.48Å; Q103-I107 WeakPolarHBondContact O-CD1 3.29Å; Q103-I107 WeakPolarHBondContact O-CG1 3.23Å; Q103-I107 PolarHBondContact O-N 3.35Å; I104-I107 PolarHBondContact O-N 3.08Å; I107-T111 WeakPolarHBondContact O-CG2 3.46Å; I107-T111 PolarHBondContact O-N 3.22Å; I107-T111 PolarHBondContact O-OG1 3.27Å
108M96Very high96.2Very high25 Ų2516.4 Ų16.412%0.1239%0.085CC..Hα-helixtrans-67.7-37179.3-61.5-72-81.300111.3I5 F56 I104 S105 L106 T111 A112 F121I5-M108 HydrophobicContact CD1-CE 4.38Å; I5-M108 HydrophobicContact CD1-SD 3.2Å; I5-M108 WeakPolarHBondContact CD1-SD 3.37Å; I5-M108 HydrophobicContact CG1-SD 3.59Å; I5-M108 VanDerWaalsContact CG1-SD 3.59Å; I5-M108 HydrophobicContact CG2-SD 4.16Å; F56-M108 HydrophobicContact CE1-CE 3.6Å; F56-M108 HydrophobicContact CE1-SD 3.6Å; F56-M108 HydrophobicContact CE2-CE 4.26Å; F56-M108 HydrophobicContact CZ-CE 3.2Å; F56-M108 HydrophobicContact CZ-SD 3.61Å; I104-M108 WeakPolarHBondContact O-CG 3.42Å; I104-M108 PolarHBondContact O-N 3.01Å; I104-M108 VanDerWaalsContact O-N 3.12Å; S105-M108 PolarHBondContact O-N 3.46Å; L106-M108 VanDerWaalsContact C-N 3.25Å; L106-M108 PolarHBondContact O-N 3.49Å; M108-T111 PolarHBondContact O-N 3.19Å; M108-A112 WeakPolarHBondContact O-CB 3.44Å; M108-A112 PolarHBondContact O-N 3.19Å; M108-F121 HydrophobicContact CB-CB 4.42Å; M108-F121 HydrophobicContact CB-CD1 3.96Å; M108-F121 HydrophobicContact CB-CD2 3.65Å; M108-F121 HydrophobicContact CB-CE1 4.1Å; M108-F121 HydrophobicContact CB-CE2 3.78Å; M108-F121 HydrophobicContact CB-CG 3.76Å; M108-F121 HydrophobicContact CB-CZ 4.02Å; M108-F121 HydrophobicContact CE-CE1 4.18Å; M108-F121 HydrophobicContact CE-CE2 3.79Å; M108-F121 HydrophobicContact CE-CZ 3.43Å; M108-F121 VanDerWaalsContact CE-CZ 3.43Å; M108-F121 HydrophobicContact CG-CE1 4.47Å; M108-F121 HydrophobicContact CG-CZ 4.4Å
109T96.6Very high96.2Very high0 Ų015 Ų150%08%0.078CC..Hα-helixtrans-60.3-50.6175.755.40000112.7S105 L106 T111 F118 F121 F122 T125 L238S105-T109 WeakPolarHBondContact O-CG2 3.35Å; S105-T109 PolarHBondContact O-N 3.45Å; L106-T109 WeakPolarHBondContact CA-OG1 3.47Å; L106-T109 PolarHBondContact O-N 3.09Å; L106-T109 PolarHBondContact O-OG1 3.14Å; T109-T111 PolarHBondContact O-N 3.06Å; T109-F118 WeakPolarHBondContact O-CD2 3.46Å; T109-F121 HydrophobicContact CG2-CB 3.43Å; T109-F121 VanDerWaalsContact CG2-CB 3.43Å; T109-F121 WeakPolarHBondContact CG2-O 3.49Å; T109-F122 HydrophobicContact CG2-CB 4.37Å; T109-F122 VanDerWaalsContact CG2-N 3.31Å; T109-T125 HydrophobicContact CG2-CG2 4.08Å; T109-L238 HydrophobicContact CG2-CD2 4.34Å; T109-L238 VanDerWaalsContact OG1-CD2 3.29Å; T109-L238 WeakPolarHBondContact OG1-CD2 3.33Å
110F94.9Very high96.2Very high1 Ų119.3 Ų19.30%0.00410%0.1CC..Hα-helixtrans-70.4-18.6-175.8-68.7-61.5000113T62 L65 L66 T69 L106 V234 L238 Y241T62-F110 WeakPolarHBondContact CG2-O 3.44Å; L65-F110 HydrophobicContact CB-CD1 3.98Å; L65-F110 HydrophobicContact CB-CD2 4.42Å; L65-F110 HydrophobicContact CB-CE1 3.97Å; L65-F110 HydrophobicContact CB-CE2 4.43Å; L65-F110 HydrophobicContact CB-CG 4.22Å; L65-F110 HydrophobicContact CB-CZ 4.2Å; L65-F110 HydrophobicContact CD1-CD1 3.88Å; 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 4.14Å; L66-F110 HydrophobicContact CG-CB 4.16Å; T69-F110 HydrophobicContact CG2-CD2 3.8Å; T69-F110 HydrophobicContact CG2-CE2 3.4Å; T69-F110 VanDerWaalsContact CG2-CE2 3.4Å; T69-F110 HydrophobicContact CG2-CZ 4.47Å; L106-F110 HydrophobicContact CD2-CE2 4.42Å; L106-F110 WeakPolarHBondContact O-CD2 3.38Å; L106-F110 PolarHBondContact O-N 2.86Å; L106-F110 VanDerWaalsContact O-N 3.15Å; F110-V234 HydrophobicContact CE2-CG1 3.63Å; F110-V234 HydrophobicContact CZ-CG1 3.83Å; F110-L238 HydrophobicContact CD1-CD2 4.37Å; F110-L238 HydrophobicContact CE1-CD2 3.66Å; F110-L238 HydrophobicContact CE2-CD2 3.98Å; F110-L238 HydrophobicContact CZ-CD2 3.44Å; F110-L238 VanDerWaalsContact CZ-CD2 3.44Å; F110-L238 HydrophobicContact CZ-CG 4.08Å; F110-Y241 AromaticContact CD1-CD1 3.87Å; F110-Y241 HydrophobicContact CD1-CD1 3.87Å; F110-Y241 AromaticContact CD1-CD2 3.99Å; F110-Y241 HydrophobicContact CD1-CD2 3.99Å; F110-Y241 HydrophobicContact CD1-CE1 4.25Å; F110-Y241 HydrophobicContact CD1-CE2 4.39Å; F110-Y241 AromaticContact CD1-CG 3.74Å; F110-Y241 HydrophobicContact CD1-CG 3.74Å; F110-Y241 HydrophobicContact CE1-CD1 4.21Å; F110-Y241 HydrophobicContact CE1-CD2 4.45Å; F110-Y241 AromaticContact CE1-CG 3.91Å; F110-Y241 HydrophobicContact CE1-CG 3.91Å; F110-Y241 PolarHBondContact O-OH 3.11Å; F110-Y241 VanDerWaalsContact O-OH 3.05Å
111T93.9Very high96.2Very high0 Ų021.5 Ų21.50%011%0.109CC..Hα-helixtrans-106.1-6.2-176.256.60000114.2M1 F56 S57 L66 I107 M108 T109 T113M1-T111 HydrophobicContact CE-CG2 3.6Å; M1-T111 HydrophobicContact CG-CG2 3.59Å; M1-T111 HydrophobicContact SD-CG2 3.71Å; F56-T111 WeakPolarHBondContact CA-O 3.43Å; F56-T111 WeakPolarHBondContact CD1-OG1 3.27Å; S57-T111 PolarHBondContact N-O 3.25Å; S57-T111 WeakPolarHBondContact O-CA 3.43Å; L66-T111 HydrophobicContact CD1-CG2 3.55Å; L66-T111 HydrophobicContact CD2-CG2 3.85Å; L66-T111 HydrophobicContact CG-CG2 4.16Å; I107-T111 WeakPolarHBondContact O-CG2 3.46Å; I107-T111 PolarHBondContact O-N 3.22Å; I107-T111 PolarHBondContact O-OG1 3.27Å; M108-T111 PolarHBondContact O-N 3.19Å; T109-T111 PolarHBondContact O-N 3.06Å; T111-T113 PolarHBondContact O-N 3.48Å
112A95.1Very high96.1Very high0 Ų019.9 Ų19.90%010%0.097CC..BIsolated β-bridgetrans-61.4124.7178.700000111M108 M117 F118M108-A112 WeakPolarHBondContact O-CB 3.44Å; M108-A112 PolarHBondContact O-N 3.19Å; A112-M117 HydrophobicContact CB-CB 4.33Å; A112-M117 HydrophobicContact CB-CG 4.15Å; A112-M117 HydrophobicContact CB-SD 4.4Å; A112-F118 HydrophobicContact CB-CB 3.89Å
113T92.3Very high96Very high2 Ų221 Ų211%0.01210%0.102CC..SBendtrans-81.5-38.8176.548.30000112.4P54 T55 S57 T111 I176P54-T113 PolarHBondContact O-OG1 3.47Å; T55-T113 WeakPolarHBondContact CA-OG1 3.22Å; T55-T113 PolarHBondContact O-N 3.25Å; T55-T113 VanDerWaalsContact O-N 3.11Å; T55-T113 PolarHBondContact O-OG1 2.96Å; S57-T113 WeakPolarHBondContact OG-CG2 3.39Å; T111-T113 PolarHBondContact O-N 3.48Å; T113-I176 WeakPolarHBondContact O-CB 3.37Å; T113-I176 WeakPolarHBondContact O-CD1 3.11Å; T113-I176 WeakPolarHBondContact O-CG1 3.47Å; T113-I176 PolarHBondContact O-N 3.33Å
114E93.8Very high96Very high80 Ų8022.8 Ų22.837%0.37411%0.114SC..BIsolated β-bridgetrans-89.5133.7176.3-66-170.3162.600111.2I116 M117 F118 L174 N175E114-I116 VanDerWaalsContact C-N 3.29Å; E114-I116 PolarHBondContact O-N 2.94Å; E114-M117 HydrophobicContact CB-CB 4.21Å; E114-M117 WeakPolarHBondContact O-CB 3.32Å; E114-M117 PolarHBondContact O-N 2.83Å; E114-M117 VanDerWaalsContact O-N 3.14Å; E114-F118 PolarHBondContact O-N 3.13Å; E114-L174 WeakPolarHBondContact CA-O 3.46Å; E114-N175 HydrophobicContact CG-CB 4.4Å
115L94.4Very high96.1Very high1 Ų121.4 Ų21.41%0.00511%0.107CC..Hα-helixtrans-64.9-29.4-177-67.2172.6000113.7F118 Y119 L164 L174 I176 L179 R245 L246 I249L115-F118 WeakPolarHBondContact O-CB 3.45Å; L115-F118 PolarHBondContact O-N 3.05Å; L115-Y119 PolarHBondContact O-N 2.85Å; L115-L164 HydrophobicContact CB-CD2 3.67Å; L115-L164 HydrophobicContact CD1-CD2 4Å; L115-L164 HydrophobicContact CG-CD2 4.46Å; L115-L174 HydrophobicContact CB-CB 4.27Å; L115-L174 PolarHBondContact N-O 3.33Å; L115-I176 HydrophobicContact CD2-CD1 4.08Å; L115-I176 HydrophobicContact CD2-CG1 3.83Å; 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 4.48Å; L115-L246 HydrophobicContact CD1-CD2 3.73Å; L115-L246 HydrophobicContact CD2-CD2 4.14Å; L115-I249 HydrophobicContact CD1-CD1 3.74Å
116I95.9Very high96Very high47 Ų4721.4 Ų21.424%0.24111%0.106CC..Hα-helixtrans-70.6-37.6175.1-164.664.4000111.6E114 F118 Y119 I120 L161 L174E114-I116 VanDerWaalsContact C-N 3.29Å; E114-I116 PolarHBondContact O-N 2.94Å; I116-F118 VanDerWaalsContact C-N 3.35Å; I116-Y119 WeakPolarHBondContact O-CB 3.38Å; I116-Y119 PolarHBondContact O-N 3.08Å; I116-I120 WeakPolarHBondContact O-CG1 3.2Å; I116-I120 PolarHBondContact O-N 3.5Å; I116-L161 HydrophobicContact CD1-CD1 3.55Å; I116-L174 HydrophobicContact CB-CD1 3.95Å; I116-L174 HydrophobicContact CG2-CD1 4.47Å
117M96Very high96Very high41 Ų4126.8 Ų26.820%0.20213%0.134CC..Hα-helixtrans-66.3-41.5173.9-175.6-177.3-60.500110.4T55 F56 A112 E114 Y119 I120 F121T55-M117 HydrophobicContact CG2-CE 4.1Å; F56-M117 HydrophobicContact CE1-SD 4.24Å; F56-M117 HydrophobicContact CZ-SD 4.47Å; A112-M117 HydrophobicContact CB-CB 4.33Å; A112-M117 HydrophobicContact CB-CG 4.15Å; A112-M117 HydrophobicContact CB-SD 4.4Å; E114-M117 HydrophobicContact CB-CB 4.21Å; E114-M117 WeakPolarHBondContact O-CB 3.32Å; E114-M117 PolarHBondContact O-N 2.83Å; E114-M117 VanDerWaalsContact O-N 3.14Å; M117-Y119 VanDerWaalsContact C-N 3.34Å; M117-Y119 PolarHBondContact O-N 2.83Å; M117-I120 PolarHBondContact O-N 3.46Å; M117-F121 HydrophobicContact CG-CD2 3.69Å; M117-F121 HydrophobicContact CG-CE2 3.34Å; M117-F121 HydrophobicContact CG-CZ 4.37Å; M117-F121 WeakPolarHBondContact O-CD2 3.17Å; M117-F121 PolarHBondContact O-N 3.15Å; M117-F121 HydrophobicContact SD-CE2 3.86Å
118F96.4Very high96Very high6 Ų627.3 Ų27.33%0.02614%0.137CC..Hα-helixtrans-55.5-48.4170.5166.7-106.7000111.3T109 A112 E114 L115 I116 F121 F122 F203 Y241T109-F118 WeakPolarHBondContact O-CD2 3.46Å; A112-F118 HydrophobicContact CB-CB 3.89Å; E114-F118 PolarHBondContact O-N 3.13Å; L115-F118 WeakPolarHBondContact O-CB 3.45Å; L115-F118 PolarHBondContact O-N 3.05Å; I116-F118 VanDerWaalsContact C-N 3.35Å; F118-F121 PolarHBondContact O-N 3.46Å; F118-F122 HydrophobicContact CZ-CB 4.49Å; F118-F122 HydrophobicContact CZ-CD2 4.27Å; F118-F122 WeakPolarHBondContact O-CB 3.17Å; F118-F122 PolarHBondContact O-N 3.38Å; F118-F203 AromaticContact CE1-CE1 3.67Å; F118-F203 HydrophobicContact CE1-CE1 3.67Å; F118-F203 AromaticContact CE1-CZ 3.76Å; F118-F203 HydrophobicContact CE1-CZ 3.76Å; F118-F203 AromaticContact CZ-CE1 3.86Å; F118-F203 HydrophobicContact CZ-CE1 3.86Å; F118-F203 HydrophobicContact CZ-CZ 4.41Å; F118-Y241 HydrophobicContact CD2-CD1 4.31Å; F118-Y241 AromaticContact CD2-CE1 3.9Å; F118-Y241 HydrophobicContact CD2-CE1 3.9Å; F118-Y241 AromaticContact CE2-CD1 3.56Å; F118-Y241 HydrophobicContact CE2-CD1 3.56Å; F118-Y241 AromaticContact CE2-CE1 3.63Å; F118-Y241 HydrophobicContact CE2-CE1 3.63Å; F118-Y241 HydrophobicContact CZ-CD1 4.09Å; F118-Y241 HydrophobicContact CZ-CE1 4.41Å
119Y97.3Very high96.1Very high18 Ų1826.4 Ų26.47%0.07113%0.133CC..Hα-helixtrans-59.4-48.2177.8174.1-91.4000112.7L115 I116 M117 F121 F122 E123 S157 L160 L161 L164L115-Y119 PolarHBondContact O-N 2.85Å; I116-Y119 WeakPolarHBondContact O-CB 3.38Å; I116-Y119 PolarHBondContact O-N 3.08Å; M117-Y119 VanDerWaalsContact C-N 3.34Å; M117-Y119 PolarHBondContact O-N 2.83Å; Y119-F121 PolarHBondContact O-N 3.35Å; Y119-F122 WeakPolarHBondContact O-CB 3.22Å; Y119-F122 PolarHBondContact O-N 3.47Å; Y119-E123 HydrophobicContact CE1-CG 4.03Å; Y119-E123 HydrophobicContact CE2-CG 3.96Å; Y119-E123 PolarHBondContact O-N 3.47Å; Y119-S157 VanDerWaalsContact CE2-O 3.28Å; Y119-S157 WeakPolarHBondContact CE2-O 3.45Å; Y119-S157 PolarHBondContact OH-O 3.49Å; Y119-L160 HydrophobicContact CD2-CD2 3.82Å; Y119-L160 HydrophobicContact CD2-CG 4.12Å; Y119-L160 HydrophobicContact CE2-CD2 4.28Å; Y119-L160 HydrophobicContact CE2-CG 4.47Å; Y119-L161 HydrophobicContact CD1-CD1 3.84Å; Y119-L161 HydrophobicContact CE1-CB 3.96Å; Y119-L161 HydrophobicContact CE1-CD1 3.72Å; Y119-L161 HydrophobicContact CE1-CD2 4.07Å; Y119-L161 HydrophobicContact CE1-CG 4.12Å; Y119-L161 HydrophobicContact CE2-CB 4.01Å; Y119-L164 HydrophobicContact CD2-CD1 4.39Å; Y119-L164 HydrophobicContact CG-CD1 4.3Å
120I98Very high96.1Very high94 Ų9428.5 Ų28.548%0.48214%0.144SC..Hα-helixtrans-58.1-51.3179.4-69165.4000109.4I116 M117 F122 E123 T124I116-I120 WeakPolarHBondContact O-CG1 3.2Å; I116-I120 PolarHBondContact O-N 3.5Å; M117-I120 PolarHBondContact O-N 3.46Å; I120-F122 VanDerWaalsContact C-N 3.31Å; I120-F122 PolarHBondContact O-N 3.17Å; I120-E123 PolarHBondContact O-N 2.87Å; I120-T124 HydrophobicContact CG2-CG2 4.17Å; I120-T124 WeakPolarHBondContact O-CG2 3.43Å; I120-T124 PolarHBondContact O-N 3.2Å
121F97.6Very high96.2Very high47 Ų4729.6 Ų29.621%0.20615%0.153CC..Hα-helixtrans-65.9-36.4179.5-68.2-52.2000112.2M108 T109 M117 F118 Y119 E123 T124 T125M108-F121 HydrophobicContact CB-CB 4.42Å; M108-F121 HydrophobicContact CB-CD1 3.96Å; M108-F121 HydrophobicContact CB-CD2 3.65Å; M108-F121 HydrophobicContact CB-CE1 4.1Å; M108-F121 HydrophobicContact CB-CE2 3.78Å; M108-F121 HydrophobicContact CB-CG 3.76Å; M108-F121 HydrophobicContact CB-CZ 4.02Å; M108-F121 HydrophobicContact CE-CE1 4.18Å; M108-F121 HydrophobicContact CE-CE2 3.79Å; M108-F121 HydrophobicContact CE-CZ 3.43Å; M108-F121 VanDerWaalsContact CE-CZ 3.43Å; M108-F121 HydrophobicContact CG-CE1 4.47Å; M108-F121 HydrophobicContact CG-CZ 4.4Å; T109-F121 HydrophobicContact CG2-CB 3.43Å; T109-F121 VanDerWaalsContact CG2-CB 3.43Å; T109-F121 WeakPolarHBondContact CG2-O 3.49Å; M117-F121 HydrophobicContact CG-CD2 3.69Å; M117-F121 HydrophobicContact CG-CE2 3.34Å; M117-F121 HydrophobicContact CG-CZ 4.37Å; M117-F121 WeakPolarHBondContact O-CD2 3.17Å; M117-F121 PolarHBondContact O-N 3.15Å; M117-F121 HydrophobicContact SD-CE2 3.86Å; F118-F121 PolarHBondContact O-N 3.46Å; Y119-F121 PolarHBondContact O-N 3.35Å; F121-E123 VanDerWaalsContact C-N 3.34Å; F121-E123 PolarHBondContact O-N 3.42Å; F121-T124 VanDerWaalsContact CA-OG1 3.3Å; F121-T124 WeakPolarHBondContact CA-OG1 3.36Å; F121-T124 PolarHBondContact O-N 3.39Å; F121-T124 VanDerWaalsContact O-N 3.13Å; F121-T124 PolarHBondContact O-OG1 3Å; F121-T125 WeakPolarHBondContact O-CG2 3.31Å; F121-T125 PolarHBondContact O-N 2.87Å; F121-T125 VanDerWaalsContact O-N 3.15Å
122F96.6Very high96.4Very high2 Ų229.7 Ų29.71%0.00915%0.154CC..Hα-helixtrans-59.2-45.1177.9166-94.4000111.3T109 F118 Y119 I120 T125 F203 K206 L238T109-F122 HydrophobicContact CG2-CB 4.37Å; T109-F122 VanDerWaalsContact CG2-N 3.31Å; F118-F122 HydrophobicContact CZ-CB 4.49Å; F118-F122 HydrophobicContact CZ-CD2 4.27Å; F118-F122 WeakPolarHBondContact O-CB 3.17Å; F118-F122 PolarHBondContact O-N 3.38Å; Y119-F122 WeakPolarHBondContact O-CB 3.22Å; Y119-F122 PolarHBondContact O-N 3.47Å; I120-F122 VanDerWaalsContact C-N 3.31Å; I120-F122 PolarHBondContact O-N 3.17Å; F122-T125 PolarHBondContact O-OG1 3.46Å; F122-F203 HydrophobicContact CE2-CD1 4.33Å; F122-F203 HydrophobicContact CE2-CE1 4.19Å; F122-F203 HydrophobicContact CZ-CD1 4.43Å; F122-F203 HydrophobicContact CZ-CE1 4.3Å; F122-K206 HydrophobicContact CE2-CD 4.16Å; F122-K206 HydrophobicContact CE2-CG 3.73Å; F122-K206 HydrophobicContact CZ-CD 4.04Å; F122-K206 VanDerWaalsContact CZ-CE 3.42Å; F122-K206 HydrophobicContact CZ-CG 3.46Å; F122-K206 VanDerWaalsContact CZ-CG 3.46Å; F122-L238 HydrophobicContact CD2-CB 4.12Å; F122-L238 HydrophobicContact CD2-CD1 4.32Å; F122-L238 HydrophobicContact CE2-CB 4.15Å
123E96.7Very high96.4Very high26 Ų2629.8 Ų29.812%0.12115%0.154CC..Hα-helixtrans-71.6-35.2173.8-71.5-58.3134.700112.2Y119 I120 F121 T125 L126 S157Y119-E123 HydrophobicContact CE1-CG 4.03Å; Y119-E123 HydrophobicContact CE2-CG 3.96Å; Y119-E123 PolarHBondContact O-N 3.47Å; I120-E123 PolarHBondContact O-N 2.87Å; F121-E123 VanDerWaalsContact C-N 3.34Å; F121-E123 PolarHBondContact O-N 3.42Å; E123-T125 PolarHBondContact O-N 2.94Å; E123-T125 VanDerWaalsContact O-N 3.13Å; E123-L126 WeakPolarHBondContact O-CB 3.23Å; E123-L126 WeakPolarHBondContact O-CG 3.12Å; E123-L126 PolarHBondContact O-N 3.1Å; E123-L126 WeakPolarHBondContact OE2-CD1 3.4Å; E123-S157 WeakPolarHBondContact OE1-CB 3.23Å; E123-S157 PolarHBondContact OE1-OG 3.46Å
124T97.3Very high96.7Very high44 Ų4431.3 Ų31.327%0.2716%0.163SC..Hα-helixtrans-60-28.2177.569.80000112.7S105 I120 F121 L126 I127 P128S105-T124 WeakPolarHBondContact CB-OG1 3.29Å; I120-T124 HydrophobicContact CG2-CG2 4.17Å; I120-T124 WeakPolarHBondContact O-CG2 3.43Å; I120-T124 PolarHBondContact O-N 3.2Å; F121-T124 VanDerWaalsContact CA-OG1 3.3Å; F121-T124 WeakPolarHBondContact CA-OG1 3.36Å; F121-T124 PolarHBondContact O-N 3.39Å; F121-T124 VanDerWaalsContact O-N 3.13Å; F121-T124 PolarHBondContact O-OG1 3Å; T124-L126 PolarHBondContact O-N 3.09Å; T124-I127 PolarHBondContact O-N 3.15Å; T124-P128 WeakPolarHBondContact O-CD 3.42Å
125T97.5Very high96.8Very high0 Ų033.9 Ų33.90%017%0.17CC..THydrogen-bonded Turntrans-61.8-23.3175.568.10000112.9L102 S105 L106 T109 F121 F122 E123 I127 T129 L238L102-T125 HydrophobicContact CD1-CG2 4.5Å; S105-T125 WeakPolarHBondContact OG-CG2 3.4Å; L106-T125 HydrophobicContact CD2-CG2 3.77Å; L106-T125 HydrophobicContact CG-CG2 4.14Å; T109-T125 HydrophobicContact CG2-CG2 4.08Å; F121-T125 WeakPolarHBondContact O-CG2 3.31Å; F121-T125 PolarHBondContact O-N 2.87Å; F121-T125 VanDerWaalsContact O-N 3.15Å; F122-T125 PolarHBondContact O-OG1 3.46Å; E123-T125 PolarHBondContact O-N 2.94Å; E123-T125 VanDerWaalsContact O-N 3.13Å; T125-I127 VanDerWaalsContact C-N 3.33Å; T125-I127 PolarHBondContact O-N 3.38Å; T125-T129 WeakPolarHBondContact O-CB 3.34Å; T125-T129 WeakPolarHBondContact O-CG2 3.38Å; T125-T129 PolarHBondContact O-N 2.91Å; T125-T129 PolarHBondContact O-OG1 2.7Å; T125-L238 HydrophobicContact CG2-CD1 4.19Å
126L96.4Very high96.8Very high10 Ų1034.9 Ų34.95%0.05217%0.173CC..Hα-helixtrans-66.1-34.3177.2-66.8-179.3000112.4E123 T124 T129 L130 F149 T153E123-L126 WeakPolarHBondContact O-CB 3.23Å; E123-L126 WeakPolarHBondContact O-CG 3.12Å; E123-L126 PolarHBondContact O-N 3.1Å; E123-L126 WeakPolarHBondContact OE2-CD1 3.4Å; T124-L126 PolarHBondContact O-N 3.09Å; L126-T129 VanDerWaalsContact C-OG1 3.31Å; L126-T129 VanDerWaalsContact CA-OG1 3.25Å; L126-T129 WeakPolarHBondContact CA-OG1 3.39Å; L126-T129 PolarHBondContact O-N 3.17Å; L126-T129 PolarHBondContact O-OG1 3.07Å; L126-L130 WeakPolarHBondContact O-CB 3.5Å; L126-L130 PolarHBondContact O-N 3.05Å; L126-F149 HydrophobicContact CD2-CD1 4.32Å; L126-F149 HydrophobicContact CD2-CE1 3.47Å; L126-F149 VanDerWaalsContact CD2-CE1 3.47Å; L126-F149 HydrophobicContact CD2-CE2 4.19Å; L126-F149 HydrophobicContact CD2-CZ 3.41Å; L126-F149 VanDerWaalsContact CD2-CZ 3.41Å; L126-T153 WeakPolarHBondContact CD1-OG1 3.21Å; L126-T153 HydrophobicContact CD2-CG2 4.05Å; L126-T153 WeakPolarHBondContact CD2-OG1 3.39Å
127I96.8Very high96.8Very high119 Ų11932.8 Ų32.861%0.6116%0.163SC*.Hα-helixtrans-68-52.9-172.6-60.7165.8000110.9T124 T125 T129 A131T124-I127 PolarHBondContact O-N 3.15Å; T125-I127 VanDerWaalsContact C-N 3.33Å; T125-I127 PolarHBondContact O-N 3.38Å; I127-T129 VanDerWaalsContact C-N 3.32Å; I127-T129 PolarHBondContact O-N 3.03Å; I127-A131 PolarHBondContact O-N 2.95Å
128P97.3Very high96.5Very high10 Ų1033.9 Ų33.97%0.06517%0.17CC..Hα-helixtrans-62.8-38176.6-22.934.4000113M98 S101 L102 T124 A131 I132M98-P128 WeakPolarHBondContact O-CB 3.48Å; S101-P128 WeakPolarHBondContact OG-CG 3.24Å; L102-P128 HydrophobicContact CB-CB 3.85Å; L102-P128 HydrophobicContact CB-CG 4.37Å; L102-P128 HydrophobicContact CD1-CB 4.35Å; T124-P128 WeakPolarHBondContact O-CD 3.42Å; P128-A131 PolarHBondContact O-N 2.77Å; P128-I132 WeakPolarHBondContact O-CD1 3.44Å; P128-I132 VanDerWaalsContact O-CG1 3.23Å; P128-I132 WeakPolarHBondContact O-CG1 3.5Å; P128-I132 PolarHBondContact O-N 2.85Å
129T96.9Very high96.3Very high6 Ų637 Ų374%0.03719%0.185CC..Hα-helixtrans-69.2-45.3-177.149.80000111.9L102 T125 L126 I127 A131 I132 I133 F149 L235L102-T129 HydrophobicContact CD1-CG2 3.51Å; L102-T129 HydrophobicContact CD2-CG2 3.56Å; L102-T129 HydrophobicContact CG-CG2 4.19Å; T125-T129 WeakPolarHBondContact O-CB 3.34Å; T125-T129 WeakPolarHBondContact O-CG2 3.38Å; T125-T129 PolarHBondContact O-N 2.91Å; T125-T129 PolarHBondContact O-OG1 2.7Å; L126-T129 VanDerWaalsContact C-OG1 3.31Å; L126-T129 VanDerWaalsContact CA-OG1 3.25Å; L126-T129 WeakPolarHBondContact CA-OG1 3.39Å; L126-T129 PolarHBondContact O-N 3.17Å; L126-T129 PolarHBondContact O-OG1 3.07Å; I127-T129 VanDerWaalsContact C-N 3.32Å; I127-T129 PolarHBondContact O-N 3.03Å; T129-A131 VanDerWaalsContact C-N 3.3Å; T129-A131 PolarHBondContact O-N 2.9Å; T129-I132 PolarHBondContact O-N 3.48Å; T129-I132 VanDerWaalsContact O-N 3.15Å; T129-I133 VanDerWaalsContact O-CG1 3.29Å; T129-I133 WeakPolarHBondContact O-CG1 3.29Å; T129-I133 PolarHBondContact O-N 3.42Å; T129-F149 VanDerWaalsContact OG1-CE1 3.3Å; T129-F149 WeakPolarHBondContact OG1-CE1 3.15Å; T129-L235 HydrophobicContact CG2-CD1 3.33Å; T129-L235 HydrophobicContact CG2-CD2 4.36Å; T129-L235 HydrophobicContact CG2-CG 4.5Å
130L96.9Very high96.1Very high44 Ų4440.7 Ų40.723%0.2321%0.211CC..Hα-helixtrans-57.6-45.1174.4-177.872.7000111.1L126 I132 I133 T134 G146 L150L126-L130 WeakPolarHBondContact O-CB 3.5Å; L126-L130 PolarHBondContact O-N 3.05Å; L130-I132 VanDerWaalsContact C-N 3.34Å; L130-I132 PolarHBondContact O-N 3.37Å; L130-I133 PolarHBondContact O-N 3.29Å; L130-T134 HydrophobicContact CD1-CG2 3.87Å; L130-T134 HydrophobicContact CG-CG2 4.21Å; L130-T134 WeakPolarHBondContact O-CB 3.4Å; L130-T134 WeakPolarHBondContact O-CG2 3.4Å; L130-T134 PolarHBondContact O-N 3.31Å; L130-T134 PolarHBondContact O-OG1 2.85Å; L130-G146 WeakPolarHBondContact CD1-O 3.25Å; L130-L150 HydrophobicContact CD1-CB 4.34Å; L130-L150 HydrophobicContact CD2-CD1 3.63Å
131A97.3Very high95.9Very high25 Ų2541 Ų4121%0.20721%0.211CC..Hα-helixtrans-62.3-41.9177.400000111.7M98 I127 P128 T129 I133 R135M98-A131 HydrophobicContact CE-CB 3.22Å; I127-A131 PolarHBondContact O-N 2.95Å; P128-A131 PolarHBondContact O-N 2.77Å; T129-A131 VanDerWaalsContact C-N 3.3Å; T129-A131 PolarHBondContact O-N 2.9Å; A131-I133 PolarHBondContact O-N 3.14Å; A131-R135 WeakPolarHBondContact O-CB 3.43Å; A131-R135 PolarHBondContact O-N 3.44Å; A131-R135 VanDerWaalsContact O-N 3.08Å
132I97.3Very high95.8Very high2 Ų242.2 Ų42.21%0.0121%0.214CC..Hα-helixtrans-60.5-46.6177.2-70.3164.6000111.1Y95 M98 L99 L102 P128 T129 L130 W136 P224Y95-I132 HydrophobicContact CE2-CG2 4.2Å; M98-I132 HydrophobicContact CB-CD1 4.11Å; M98-I132 HydrophobicContact CB-CG1 3.96Å; L99-I132 HydrophobicContact CD2-CD1 3.72Å; L99-I132 HydrophobicContact CG-CD1 4.3Å; L102-I132 HydrophobicContact CD2-CD1 4.33Å; P128-I132 WeakPolarHBondContact O-CD1 3.44Å; P128-I132 VanDerWaalsContact O-CG1 3.23Å; P128-I132 WeakPolarHBondContact O-CG1 3.5Å; P128-I132 PolarHBondContact O-N 2.85Å; T129-I132 PolarHBondContact O-N 3.48Å; T129-I132 VanDerWaalsContact O-N 3.15Å; L130-I132 VanDerWaalsContact C-N 3.34Å; L130-I132 PolarHBondContact O-N 3.37Å; I132-W136 PolarHBondContact O-N 3.3Å; I132-P224 HydrophobicContact CG2-CG 3.59Å
133I96.6Very high95.7Very high1 Ų147.4 Ų47.41%0.00524%0.241CC..Hα-helixtrans-67.2-55.9-178.3-61.6163.8000110.8T129 L130 A131 R135 G137 F149 A223 L231T129-I133 VanDerWaalsContact O-CG1 3.29Å; T129-I133 WeakPolarHBondContact O-CG1 3.29Å; T129-I133 PolarHBondContact O-N 3.42Å; L130-I133 PolarHBondContact O-N 3.29Å; A131-I133 PolarHBondContact O-N 3.14Å; I133-R135 VanDerWaalsContact C-N 3.34Å; I133-R135 PolarHBondContact O-N 3.37Å; I133-G137 WeakPolarHBondContact O-CA 3.42Å; I133-G137 PolarHBondContact O-N 3.1Å; I133-F149 HydrophobicContact CD1-CD1 4.25Å; I133-A223 HydrophobicContact CG1-CB 4.09Å; I133-L231 HydrophobicContact CD1-CD1 4.11Å
134T96.9Very high95.8Very high34 Ų3450 Ų5021%0.20926%0.256CS..Hα-helixtrans-71.3-28.2-170.857.10000113.2L130 R142 L143L130-T134 HydrophobicContact CD1-CG2 3.87Å; L130-T134 HydrophobicContact CG-CG2 4.21Å; L130-T134 WeakPolarHBondContact O-CB 3.4Å; L130-T134 WeakPolarHBondContact O-CG2 3.4Å; L130-T134 PolarHBondContact O-N 3.31Å; L130-T134 PolarHBondContact O-OG1 2.85Å; T134-R142 VanDerWaalsContact O-CD 3.31Å; T134-R142 WeakPolarHBondContact O-CD 3.46Å; T134-R142 VanDerWaalsContact O-CZ 3.31Å; T134-R142 PolarHBondContact O-NE 3.46Å; T134-L143 HydrophobicContact CG2-CD2 4.39Å
135R96.1Very high95.7Very high135 Ų13548 Ų4851%0.50924%0.244SC..Hα-helixtrans-94.2-41.5-176.9-174.961.7174.5-174.4-0.8113.9A131 I133 R142A131-R135 WeakPolarHBondContact O-CB 3.43Å; A131-R135 PolarHBondContact O-N 3.44Å; A131-R135 VanDerWaalsContact O-N 3.08Å; I133-R135 VanDerWaalsContact C-N 3.34Å; I133-R135 PolarHBondContact O-N 3.37Å; R135-R142 PolarHBondContact O-NH1 2.94Å
136W96.1Very high95.6Very high21 Ų2148.1 Ų48.18%0.0824%0.244CC..Hα-helixtrans-112.58.5-174.9-65.1-87.6000113.9L84 L94 Y95 M98 I132 P224L84-W136 HydrophobicContact CD2-CG 4.49Å; L94-W136 HydrophobicContact CB-CH2 4.36Å; L94-W136 HydrophobicContact CB-CZ2 4.32Å; Y95-W136 HydrophobicContact CD2-CB 4.32Å; 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 3.66Å; Y95-W136 AromaticContact CD2-CE3 3.77Å; Y95-W136 HydrophobicContact CD2-CE3 3.77Å; Y95-W136 AromaticContact CD2-CG 3.75Å; Y95-W136 HydrophobicContact CD2-CG 3.75Å; Y95-W136 HydrophobicContact CD2-CH2 4.34Å; Y95-W136 HydrophobicContact CD2-CZ2 4.11Å; Y95-W136 HydrophobicContact CD2-CZ3 4.19Å; Y95-W136 HydrophobicContact CE2-CB 4.14Å; Y95-W136 HydrophobicContact CE2-CD2 4.13Å; Y95-W136 HydrophobicContact CE2-CE3 4.37Å; Y95-W136 HydrophobicContact CE2-CG 4.06Å; Y95-W136 HydrophobicContact CG-CD2 4.45Å; Y95-W136 HydrophobicContact CG-CZ2 4.41Å; M98-W136 HydrophobicContact CG-CH2 4.24Å; M98-W136 HydrophobicContact CG-CZ3 4.28Å; I132-W136 PolarHBondContact O-N 3.3Å; W136-P224 HydrophobicContact CB-CG 4.1Å; W136-P224 WeakPolarHBondContact O-CB 3.46Å
137G93.9Very high95.6Very high3 Ų350.7 Ų50.73%0.03126%0.261CS..  trans-67.3149.7165.700000111.9I133 R142 E222I133-G137 WeakPolarHBondContact O-CA 3.42Å; I133-G137 PolarHBondContact O-N 3.1Å; G137-R142 WeakPolarHBondContact O-CD 3.26Å; G137-R142 PolarHBondContact O-NH1 3.07Å; G137-E222 WeakPolarHBondContact CA-O 3.08Å
138N90.5Very high95.6Very high65 Ų6548.7 Ų48.735%0.34825%0.246SC..SBendtrans-81.4-39.3-172.6-73.2-20.1000113.9H83 Y334H83-N138 PolarHBondContact CE1-OD1 3.42Å; H83-N138 PolarHBondContact NE2-OD1 3.48Å; N138-Y334 VanDerWaalsContact ND2-CE1 3.29Å; N138-Y334 WeakPolarHBondContact ND2-CE1 3.33Å; N138-Y334 PolarHBondContact ND2-OH 3.47Å
139Q93.3Very high95.5Very high72 Ų7248.2 Ų48.234%0.33624%0.243SC..SBendtrans-97.4159-172.2-56.4-66.3-11.100112.1E141 R142 E222Q139-E141 VanDerWaalsContact CB-OE2 3.27Å; Q139-E141 WeakPolarHBondContact CB-OE2 3.5Å; Q139-E141 PolarHBondContact O-N 3.42Å; Q139-R142 WeakPolarHBondContact O-CB 3.47Å; Q139-R142 VanDerWaalsContact O-CD 3.3Å; Q139-R142 WeakPolarHBondContact O-CD 3.43Å; Q139-R142 WeakPolarHBondContact O-CG 3.37Å; Q139-R142 PolarHBondContact O-N 2.92Å; Q139-E222 WeakPolarHBondContact CB-OE2 3.45Å; Q139-E222 VanDerWaalsContact CG-OE2 3.27Å; Q139-E222 WeakPolarHBondContact CG-OE2 3.42Å
140P91.4Very high95.5Very high95 Ų9550 Ų5062%0.61725%0.252SS*.THydrogen-bonded Turntrans-61.9-29.2178.824.6-34.7000113.5R142 L143P140-R142 PolarHBondContact O-N 3.25Å; P140-L143 PolarHBondContact O-N 2.94Å
141E94.6Very high95.5Very high101 Ų10153.9 Ų53.947%0.47227%0.267SS..THydrogen-bonded Turntrans-63-11.4179.8-64.877.9-169.500113.2Q139 L143 N144 A145 E222Q139-E141 VanDerWaalsContact CB-OE2 3.27Å; Q139-E141 WeakPolarHBondContact CB-OE2 3.5Å; Q139-E141 PolarHBondContact O-N 3.42Å; E141-L143 PolarHBondContact O-N 3.37Å; E141-L143 VanDerWaalsContact O-N 3.15Å; E141-N144 CarbonylContact O-C 3.21Å; E141-N144 WeakPolarHBondContact O-CA 3.29Å; E141-N144 WeakPolarHBondContact O-CB 3.32Å; E141-N144 PolarHBondContact O-N 2.91Å; E141-A145 PolarHBondContact O-N 3.37Å; E141-E222 HydrophobicContact CB-CG 4.13Å
142R95.5Very high95.5Very high71 Ų7155.5 Ų55.527%0.26827%0.268SS..Hα-helixtrans-54.3-31.7176.272-170.5178.6168.16.2113.8T134 R135 G137 Q139 P140 G146 E222T134-R142 VanDerWaalsContact O-CD 3.31Å; T134-R142 WeakPolarHBondContact O-CD 3.46Å; T134-R142 VanDerWaalsContact O-CZ 3.31Å; T134-R142 PolarHBondContact O-NE 3.46Å; R135-R142 PolarHBondContact O-NH1 2.94Å; G137-R142 WeakPolarHBondContact O-CD 3.26Å; G137-R142 PolarHBondContact O-NH1 3.07Å; Q139-R142 WeakPolarHBondContact O-CB 3.47Å; Q139-R142 VanDerWaalsContact O-CD 3.3Å; Q139-R142 WeakPolarHBondContact O-CD 3.43Å; Q139-R142 WeakPolarHBondContact O-CG 3.37Å; Q139-R142 PolarHBondContact O-N 2.92Å; P140-R142 PolarHBondContact O-N 3.25Å; R142-G146 PolarHBondContact O-N 3.37Å; R142-E222 HydrophobicContact CB-CB 4.17Å
143L95.4Very high95.4Very high111 Ų11155.5 Ų55.558%0.58127%0.269SS*.Hα-helixtrans-69.3-45.3176.6-66.8178.8000110.6T134 P140 E141 G146 T147T134-L143 HydrophobicContact CG2-CD2 4.39Å; P140-L143 PolarHBondContact O-N 2.94Å; E141-L143 PolarHBondContact O-N 3.37Å; E141-L143 VanDerWaalsContact O-N 3.15Å; L143-G146 PolarHBondContact O-N 3.49Å; L143-T147 PolarHBondContact O-N 3.28Å
144N97Very high95.4Very high82 Ų8258 Ų5844%0.43928%0.282SS..Hα-helixtrans-65.6-43.6176-161.813.6000110.7E141 G146 T147 Y148E141-N144 CarbonylContact O-C 3.21Å; E141-N144 WeakPolarHBondContact O-CA 3.29Å; E141-N144 WeakPolarHBondContact O-CB 3.32Å; E141-N144 PolarHBondContact O-N 2.91Å; N144-G146 VanDerWaalsContact C-N 3.25Å; N144-G146 PolarHBondContact O-N 3.43Å; N144-T147 WeakPolarHBondContact CA-OG1 3.06Å; N144-T147 PolarHBondContact O-N 2.96Å; N144-T147 VanDerWaalsContact O-N 3.14Å; N144-T147 PolarHBondContact O-OG1 3.07Å; N144-T147 PolarHBondContact OD1-OG1 3.48Å; N144-Y148 VanDerWaalsContact O-CD2 3.22Å; N144-Y148 WeakPolarHBondContact O-CD2 3.38Å; N144-Y148 PolarHBondContact O-N 2.84Å; N144-Y148 WeakPolarHBondContact OD1-CD2 3.46Å; N144-Y148 WeakPolarHBondContact OD1-CE2 3.21Å
145A96.1Very high95.3Very high2 Ų261.4 Ų61.42%0.01730%0.302CS..Hα-helixtrans-57.7-40.1174.200000111.9E141 F149 K218 E222E141-A145 PolarHBondContact O-N 3.37Å; A145-F149 WeakPolarHBondContact O-CB 3.39Å; A145-F149 PolarHBondContact O-N 3.42Å; A145-K218 HydrophobicContact CB-CB 4.02Å; A145-E222 HydrophobicContact CB-CB 4.14Å; A145-E222 HydrophobicContact CB-CG 4.28Å
146G96Very high95.3Very high1 Ų155.3 Ų55.31%0.0128%0.282CS..Hα-helixtrans-63.1-42.417400000113.5L130 R142 L143 N144 F149 L150L130-G146 WeakPolarHBondContact CD1-O 3.25Å; R142-G146 PolarHBondContact O-N 3.37Å; L143-G146 PolarHBondContact O-N 3.49Å; N144-G146 VanDerWaalsContact C-N 3.25Å; N144-G146 PolarHBondContact O-N 3.43Å; G146-F149 PolarHBondContact O-N 3.02Å; G146-L150 WeakPolarHBondContact O-CB 3.17Å; G146-L150 PolarHBondContact O-N 3.07Å
147T96.1Very high95.2Very high65 Ų6554.3 Ų54.340%0.39928%0.278SS..Hα-helixtrans-67.1-42.8176.756.50000111.8L143 N144 F149 L150 F151L143-T147 PolarHBondContact O-N 3.28Å; N144-T147 WeakPolarHBondContact CA-OG1 3.06Å; N144-T147 PolarHBondContact O-N 2.96Å; N144-T147 VanDerWaalsContact O-N 3.14Å; N144-T147 PolarHBondContact O-OG1 3.07Å; N144-T147 PolarHBondContact OD1-OG1 3.48Å; T147-F149 PolarHBondContact O-N 2.69Å; T147-L150 PolarHBondContact O-N 3.45Å; T147-F151 WeakPolarHBondContact O-CB 2.9Å; T147-F151 VanDerWaalsContact O-CD2 3.28Å; T147-F151 WeakPolarHBondContact O-CD2 3.12Å; T147-F151 PolarHBondContact O-N 3.42Å
148Y96.1Very high95.3Very high76 Ų7658.6 Ų58.630%0.29830%0.3SS..Hα-helixtrans-57.7-49.2173.3-85.4-80.1000111.4N144 L150 Y152 K218N144-Y148 VanDerWaalsContact O-CD2 3.22Å; N144-Y148 WeakPolarHBondContact O-CD2 3.38Å; N144-Y148 PolarHBondContact O-N 2.84Å; N144-Y148 WeakPolarHBondContact OD1-CD2 3.46Å; N144-Y148 WeakPolarHBondContact OD1-CE2 3.21Å; Y148-L150 PolarHBondContact O-N 3.1Å; Y148-Y152 HydrophobicContact CD1-CD2 4.26Å; Y148-Y152 AromaticContact CD1-CE2 3.64Å; Y148-Y152 HydrophobicContact CD1-CE2 3.64Å; Y148-Y152 HydrophobicContact CE1-CE2 4.22Å; Y148-Y152 VanDerWaalsContact O-CB 3.31Å; Y148-Y152 WeakPolarHBondContact O-CB 3.43Å; Y148-Y152 WeakPolarHBondContact O-CD2 3.44Å; Y148-Y152 PolarHBondContact O-N 3.11Å; Y148-Y152 VanDerWaalsContact O-N 3.13Å; Y148-K218 HydrophobicContact CD2-CD 3.88Å; Y148-K218 HydrophobicContact CE2-CD 4.19Å; Y148-K218 HydrophobicContact CG-CD 4.28Å; Y148-K218 PolarHBondContact OH-NZ 2.86Å
149F95.9Very high95.6Very high1 Ų157.9 Ų57.90%0.00430%0.298CS..Hα-helixtrans-58.6-49179.1174.5-114.2000111.9L126 T129 I133 A145 G146 T147 T153 W215 L231L126-F149 HydrophobicContact CD2-CD1 4.32Å; L126-F149 HydrophobicContact CD2-CE1 3.47Å; L126-F149 VanDerWaalsContact CD2-CE1 3.47Å; L126-F149 HydrophobicContact CD2-CE2 4.19Å; L126-F149 HydrophobicContact CD2-CZ 3.41Å; L126-F149 VanDerWaalsContact CD2-CZ 3.41Å; T129-F149 VanDerWaalsContact OG1-CE1 3.3Å; T129-F149 WeakPolarHBondContact OG1-CE1 3.15Å; I133-F149 HydrophobicContact CD1-CD1 4.25Å; A145-F149 WeakPolarHBondContact O-CB 3.39Å; A145-F149 PolarHBondContact O-N 3.42Å; G146-F149 PolarHBondContact O-N 3.02Å; T147-F149 PolarHBondContact O-N 2.69Å; F149-T153 HydrophobicContact CE2-CG2 4.45Å; F149-T153 WeakPolarHBondContact O-CG2 3.39Å; F149-T153 PolarHBondContact O-N 3.05Å; F149-T153 PolarHBondContact O-OG1 3.46Å; F149-W215 HydrophobicContact CD2-CD2 4.33Å; F149-W215 AromaticContact CD2-CE3 3.52Å; F149-W215 HydrophobicContact CD2-CE3 3.52Å; F149-W215 HydrophobicContact CD2-CH2 4.26Å; F149-W215 AromaticContact CD2-CZ3 3.47Å; F149-W215 HydrophobicContact CD2-CZ3 3.47Å; F149-W215 VanDerWaalsContact CD2-CZ3 3.47Å; F149-W215 HydrophobicContact CE2-CE3 4.24Å; F149-W215 HydrophobicContact CE2-CH2 4.17Å; F149-W215 AromaticContact CE2-CZ3 3.72Å; F149-W215 HydrophobicContact CE2-CZ3 3.72Å; F149-W215 HydrophobicContact CG-CE3 4.48Å; F149-L231 HydrophobicContact CE2-CD2 3.99Å; F149-L231 HydrophobicContact CZ-CD2 4.17Å
150L96.4Very high95.8Very high44 Ų4454.5 Ų54.523%0.2328%0.282CS..Hα-helixtrans-66.7-48.4-177.4176.2138.4000112.9L130 G146 T147 Y148 T153 L154L130-L150 HydrophobicContact CD1-CB 4.34Å; L130-L150 HydrophobicContact CD2-CD1 3.63Å; G146-L150 WeakPolarHBondContact O-CB 3.17Å; G146-L150 PolarHBondContact O-N 3.07Å; T147-L150 PolarHBondContact O-N 3.45Å; Y148-L150 PolarHBondContact O-N 3.1Å; L150-T153 PolarHBondContact O-N 3.13Å; L150-T153 PolarHBondContact O-OG1 2.86Å; L150-L154 HydrophobicContact CD1-CD1 4.4Å; L150-L154 HydrophobicContact CD2-CD1 3.54Å; L150-L154 HydrophobicContact CG-CD1 3.73Å; L150-L154 HydrophobicContact CG-CG 4.41Å; L150-L154 WeakPolarHBondContact O-CB 3.19Å; L150-L154 WeakPolarHBondContact O-CG 3.44Å; L150-L154 PolarHBondContact O-N 2.99Å
151F97.4Very high96.1Very high124 Ų12452.2 Ų52.254%0.54427%0.265SS..Hα-helixtrans-74.4-35-173.6-77.8-65.1000112.8T147 T153 V155T147-F151 WeakPolarHBondContact O-CB 2.9Å; T147-F151 VanDerWaalsContact O-CD2 3.28Å; T147-F151 WeakPolarHBondContact O-CD2 3.12Å; T147-F151 PolarHBondContact O-N 3.42Å; F151-T153 VanDerWaalsContact C-N 3.29Å; F151-T153 PolarHBondContact O-N 2.9Å; F151-V155 VanDerWaalsContact O-CB 3.31Å; F151-V155 WeakPolarHBondContact O-CB 3.36Å; F151-V155 WeakPolarHBondContact O-CG2 3.45Å; F151-V155 PolarHBondContact O-N 3.41Å
152Y96.3Very high96.2Very high59 Ų5953.1 Ų53.123%0.23127%0.272CS..Hα-helixtrans-58.6-47.8173.1-87.8-118.4000109.9Y148 G156 V205 W215Y148-Y152 HydrophobicContact CD1-CD2 4.26Å; Y148-Y152 AromaticContact CD1-CE2 3.64Å; Y148-Y152 HydrophobicContact CD1-CE2 3.64Å; Y148-Y152 HydrophobicContact CE1-CE2 4.22Å; Y148-Y152 VanDerWaalsContact O-CB 3.31Å; Y148-Y152 WeakPolarHBondContact O-CB 3.43Å; Y148-Y152 WeakPolarHBondContact O-CD2 3.44Å; Y148-Y152 PolarHBondContact O-N 3.11Å; Y148-Y152 VanDerWaalsContact O-N 3.13Å; Y152-G156 PolarHBondContact O-N 2.9Å; Y152-V205 HydrophobicContact CD1-CG1 4.47Å; Y152-V205 WeakPolarHBondContact O-CG1 3.35Å; Y152-W215 HydrophobicContact CD1-CB 4.44Å; Y152-W215 AromaticContact CD1-CD1 3.59Å; Y152-W215 HydrophobicContact CD1-CG 4.36Å; Y152-W215 HydrophobicContact CG-CB 4.26Å; Y152-W215 AromaticContact CG-CD1 3.97Å; Y152-W215 HydrophobicContact CG-CG 4.4Å
153T95.6Very high96.2Very high2 Ų249.9 Ų49.91%0.01226%0.26CS..Hα-helixtrans-67.8-44.8-177.353.90000112.4L126 F149 L150 F151 G156 S157 V205 K206L126-T153 WeakPolarHBondContact CD1-OG1 3.21Å; L126-T153 HydrophobicContact CD2-CG2 4.05Å; L126-T153 WeakPolarHBondContact CD2-OG1 3.39Å; F149-T153 HydrophobicContact CE2-CG2 4.45Å; F149-T153 WeakPolarHBondContact O-CG2 3.39Å; F149-T153 PolarHBondContact O-N 3.05Å; F149-T153 PolarHBondContact O-OG1 3.46Å; L150-T153 PolarHBondContact O-N 3.13Å; L150-T153 PolarHBondContact O-OG1 2.86Å; F151-T153 VanDerWaalsContact C-N 3.29Å; F151-T153 PolarHBondContact O-N 2.9Å; T153-G156 PolarHBondContact O-N 3.35Å; T153-S157 VanDerWaalsContact O-CB 3.23Å; T153-S157 WeakPolarHBondContact O-CB 3.33Å; T153-S157 PolarHBondContact O-N 3.43Å; T153-S157 PolarHBondContact O-OG 3.28Å; T153-V205 HydrophobicContact CG2-CG1 4.35Å; T153-K206 HydrophobicContact CG2-CD 3.81Å; T153-K206 VanDerWaalsContact CG2-CE 3.49Å
154L96Very high96.2Very high54 Ų5444.7 Ų44.728%0.28323%0.233SC..Hα-helixtrans-66-41-179.4-73.7174.8000112.8L150 G156 S157 L158L150-L154 HydrophobicContact CD1-CD1 4.4Å; L150-L154 HydrophobicContact CD2-CD1 3.54Å; L150-L154 HydrophobicContact CG-CD1 3.73Å; L150-L154 HydrophobicContact CG-CG 4.41Å; L150-L154 WeakPolarHBondContact O-CB 3.19Å; L150-L154 WeakPolarHBondContact O-CG 3.44Å; L150-L154 PolarHBondContact O-N 2.99Å; L154-G156 VanDerWaalsContact C-N 3.28Å; L154-G156 PolarHBondContact O-N 3.36Å; L154-S157 WeakPolarHBondContact CA-OG 3.24Å; L154-S157 PolarHBondContact O-N 2.92Å; L154-S157 PolarHBondContact O-OG 2.89Å; L154-L158 WeakPolarHBondContact O-CG 3.01Å; L154-L158 PolarHBondContact O-N 2.64Å
155V96.5Very high96.2Very high106 Ų10644.6 Ų44.664%0.64223%0.231SC*.Hα-helixtrans-64.8-37.3177.91720000110.7F151 P159F151-V155 VanDerWaalsContact O-CB 3.31Å; F151-V155 WeakPolarHBondContact O-CB 3.36Å; F151-V155 WeakPolarHBondContact O-CG2 3.45Å; F151-V155 PolarHBondContact O-N 3.41Å; V155-P159 WeakPolarHBondContact O-CD 3.21Å
156G94.4Very high96.1Very high7 Ų750.9 Ų50.97%0.07226%0.256CS..Hα-helixtrans-71.8-35.7174.700000113.5Y152 T153 L154 A202Y152-G156 PolarHBondContact O-N 2.9Å; T153-G156 PolarHBondContact O-N 3.35Å; L154-G156 VanDerWaalsContact C-N 3.28Å; L154-G156 PolarHBondContact O-N 3.36Å; G156-A202 WeakPolarHBondContact O-CA 3.38Å; G156-A202 WeakPolarHBondContact O-CB 3.4Å; G156-A202 PolarHBondContact O-N 3.25Å
157S95.4Very high95.9Very high0 Ų051.3 Ų51.30%026%0.258CS..Hα-helixtrans-90.8-26.8-169.5700000115.2Y119 E123 T153 L154 L160 L161Y119-S157 VanDerWaalsContact CE2-O 3.28Å; Y119-S157 WeakPolarHBondContact CE2-O 3.45Å; Y119-S157 PolarHBondContact OH-O 3.49Å; E123-S157 WeakPolarHBondContact OE1-CB 3.23Å; E123-S157 PolarHBondContact OE1-OG 3.46Å; T153-S157 VanDerWaalsContact O-CB 3.23Å; T153-S157 WeakPolarHBondContact O-CB 3.33Å; T153-S157 PolarHBondContact O-N 3.43Å; T153-S157 PolarHBondContact O-OG 3.28Å; L154-S157 WeakPolarHBondContact CA-OG 3.24Å; L154-S157 PolarHBondContact O-N 2.92Å; L154-S157 PolarHBondContact O-OG 2.89Å; S157-L160 WeakPolarHBondContact O-CA 2.9Å; S157-L160 VanDerWaalsContact O-CB 3.28Å; S157-L160 WeakPolarHBondContact O-CB 3.4Å; S157-L160 PolarHBondContact O-N 3.39Å; S157-L160 VanDerWaalsContact O-N 3.08Å; S157-L161 PolarHBondContact O-N 3.28Å
158L95.9Very high95.8Very high93 Ų9352.3 Ų52.349%0.48726%0.258SS..Hα-helixtrans-60.6-41.9174.6-72.4170.5000113.3L154 L160 L161 I162L154-L158 WeakPolarHBondContact O-CG 3.01Å; L154-L158 PolarHBondContact O-N 2.64Å; L158-L160 VanDerWaalsContact C-N 3.29Å; L158-L160 PolarHBondContact O-N 3.01Å; L158-L161 WeakPolarHBondContact O-CB 3.5Å; L158-L161 PolarHBondContact O-N 2.72Å; L158-I162 PolarHBondContact O-N 3.43Å
159P96.9Very high95.7Very high49 Ų4954.5 Ų54.532%0.31828%0.275SS..Hα-helixtrans-58.4-39.4170.2-26.335.3000113.2V155 L161 I162 A163 A198V155-P159 WeakPolarHBondContact O-CD 3.21Å; P159-L161 VanDerWaalsContact C-N 3.32Å; P159-L161 PolarHBondContact O-N 3.25Å; P159-I162 PolarHBondContact O-N 2.98Å; P159-A163 WeakPolarHBondContact O-CB 3.29Å; P159-A163 PolarHBondContact O-N 3.36Å; P159-A198 HydrophobicContact CB-CB 3.99Å
160L96.5Very high95.5Very high1 Ų157.8 Ų57.81%0.00530%0.295CS..Hα-helixtrans-60.8-40.4175.9170.469.3000111.3Y119 S157 L158 A163 L164 A198 Y199 A202 F203 L246Y119-L160 HydrophobicContact CD2-CD2 3.82Å; Y119-L160 HydrophobicContact CD2-CG 4.12Å; Y119-L160 HydrophobicContact CE2-CD2 4.28Å; Y119-L160 HydrophobicContact CE2-CG 4.47Å; S157-L160 WeakPolarHBondContact O-CA 2.9Å; S157-L160 VanDerWaalsContact O-CB 3.28Å; S157-L160 WeakPolarHBondContact O-CB 3.4Å; S157-L160 PolarHBondContact O-N 3.39Å; S157-L160 VanDerWaalsContact O-N 3.08Å; L158-L160 VanDerWaalsContact C-N 3.29Å; L158-L160 PolarHBondContact O-N 3.01Å; L160-A163 PolarHBondContact O-N 3.48Å; L160-L164 HydrophobicContact CD1-CD1 4.11Å; L160-L164 HydrophobicContact CD1-CG 4.09Å; L160-L164 HydrophobicContact CG-CD1 4.04Å; L160-L164 HydrophobicContact CG-CG 4.42Å; L160-L164 WeakPolarHBondContact O-CB 3.41Å; L160-L164 VanDerWaalsContact O-CG 3.29Å; L160-L164 WeakPolarHBondContact O-CG 3.33Å; L160-L164 PolarHBondContact O-N 2.84Å; L160-A198 WeakPolarHBondContact CA-O 3.22Å; L160-A198 WeakPolarHBondContact CB-O 3.49Å; L160-A198 PolarHBondContact N-O 3.16Å; L160-Y199 HydrophobicContact CD1-CD1 3.75Å; L160-Y199 HydrophobicContact CD1-CE1 4.48Å; L160-A202 HydrophobicContact CB-CB 3.91Å; L160-A202 HydrophobicContact CD2-CB 3.65Å; L160-A202 HydrophobicContact CG-CB 4.38Å; L160-F203 HydrophobicContact CD1-CE2 3.94Å; L160-F203 HydrophobicContact CD1-CZ 4.26Å; L160-F203 HydrophobicContact CD2-CE1 4.26Å; L160-F203 HydrophobicContact CD2-CE2 3.77Å; L160-F203 HydrophobicContact CD2-CZ 3.46Å; L160-F203 VanDerWaalsContact CD2-CZ 3.46Å; L160-L246 HydrophobicContact CD1-CD1 4.07Å
161L97.4Very high95.2Very high48 Ų4857.6 Ų57.625%0.25129%0.294SS..Hα-helixtrans-60.4-47.1176177.960.3000111.9I116 Y119 S157 L158 P159 A163 L164 I165I116-L161 HydrophobicContact CD1-CD1 3.55Å; Y119-L161 HydrophobicContact CD1-CD1 3.84Å; Y119-L161 HydrophobicContact CE1-CB 3.96Å; Y119-L161 HydrophobicContact CE1-CD1 3.72Å; Y119-L161 HydrophobicContact CE1-CD2 4.07Å; Y119-L161 HydrophobicContact CE1-CG 4.12Å; Y119-L161 HydrophobicContact CE2-CB 4.01Å; S157-L161 PolarHBondContact O-N 3.28Å; L158-L161 WeakPolarHBondContact O-CB 3.5Å; L158-L161 PolarHBondContact O-N 2.72Å; P159-L161 VanDerWaalsContact C-N 3.32Å; P159-L161 PolarHBondContact O-N 3.25Å; L161-A163 VanDerWaalsContact C-N 3.31Å; L161-A163 PolarHBondContact O-N 3.24Å; L161-L164 PolarHBondContact O-N 3.4Å; L161-I165 HydrophobicContact CD1-CD1 3.9Å; L161-I165 HydrophobicContact CD1-CG1 4.27Å; L161-I165 HydrophobicContact CG-CD1 3.95Å; L161-I165 WeakPolarHBondContact O-CG1 3.3Å; L161-I165 PolarHBondContact O-N 3.25Å
162I97Very high94.8Very high120 Ų12054.3 Ų54.362%0.61530%0.295SS*.Hα-helixtrans-61.1-45.1179.3-62.9167.4000109.9L158 P159 L164 I165 Y166L158-I162 PolarHBondContact O-N 3.43Å; P159-I162 PolarHBondContact O-N 2.98Å; I162-L164 PolarHBondContact O-N 2.87Å; I162-I165 PolarHBondContact O-N 2.83Å; I162-Y166 PolarHBondContact O-N 2.88Å
163A95.6Very high94.6Very high2 Ų252.8 Ų52.82%0.01729%0.293CS..Hα-helixtrans-59.3-46.8176.700000111.8P159 L160 L161 I165 Y166 T167 M195 A198 Y199P159-A163 WeakPolarHBondContact O-CB 3.29Å; P159-A163 PolarHBondContact O-N 3.36Å; L160-A163 PolarHBondContact O-N 3.48Å; L161-A163 VanDerWaalsContact C-N 3.31Å; L161-A163 PolarHBondContact O-N 3.24Å; A163-I165 PolarHBondContact O-N 3.08Å; A163-Y166 WeakPolarHBondContact O-CB 3.36Å; A163-Y166 PolarHBondContact O-N 3.06Å; A163-T167 PolarHBondContact O-N 3.11Å; A163-T167 PolarHBondContact O-OG1 2.91Å; A163-M195 HydrophobicContact CB-CE 4.3Å; A163-M195 HydrophobicContact CB-SD 3.38Å; A163-M195 WeakPolarHBondContact CB-SD 3.24Å; A163-A198 HydrophobicContact CB-CB 3.91Å; A163-Y199 HydrophobicContact CB-CD1 3.94Å; A163-Y199 HydrophobicContact CB-CD2 4.46Å; A163-Y199 HydrophobicContact CB-CE1 3.56Å; A163-Y199 HydrophobicContact CB-CE2 4.18Å; A163-Y199 HydrophobicContact CB-CG 4.34Å; A163-Y199 PolarHBondContact O-OH 3.44Å
164L95.9Very high94.4Very high3 Ų352.9 Ų52.92%0.01629%0.293CS..Hα-helixtrans-61.3-45.4178.4-73.8173.5000112.3L115 Y119 L160 L161 I162 Y166 T167 H168 L174 Y199L115-L164 HydrophobicContact CB-CD2 3.67Å; L115-L164 HydrophobicContact CD1-CD2 4Å; L115-L164 HydrophobicContact CG-CD2 4.46Å; Y119-L164 HydrophobicContact CD2-CD1 4.39Å; Y119-L164 HydrophobicContact CG-CD1 4.3Å; L160-L164 HydrophobicContact CD1-CD1 4.11Å; L160-L164 HydrophobicContact CD1-CG 4.09Å; L160-L164 HydrophobicContact CG-CD1 4.04Å; L160-L164 HydrophobicContact CG-CG 4.42Å; L160-L164 WeakPolarHBondContact O-CB 3.41Å; L160-L164 VanDerWaalsContact O-CG 3.29Å; L160-L164 WeakPolarHBondContact O-CG 3.33Å; L160-L164 PolarHBondContact O-N 2.84Å; L161-L164 PolarHBondContact O-N 3.4Å; I162-L164 PolarHBondContact O-N 2.87Å; L164-Y166 VanDerWaalsContact C-N 3.31Å; L164-Y166 PolarHBondContact O-N 2.98Å; L164-T167 VanDerWaalsContact CA-OG1 3.3Å; L164-T167 WeakPolarHBondContact CA-OG1 3.4Å; L164-T167 PolarHBondContact O-N 3.13Å; L164-T167 PolarHBondContact O-OG1 2.75Å; L164-H168 PolarHBondContact O-N 3.02Å; L164-L174 HydrophobicContact CB-CD1 4.31Å; L164-Y199 HydrophobicContact CD2-CE1 3.96Å; L164-Y199 HydrophobicContact CG-CE1 4.26Å
165I96.4Very high94.3Very high79 Ų7951.6 Ų51.641%0.40529%0.287SS..Hα-helixtrans-62-40.9176.9-66.4166.6000110.7L161 I162 A163 H168 N169L161-I165 HydrophobicContact CD1-CD1 3.9Å; L161-I165 HydrophobicContact CD1-CG1 4.27Å; L161-I165 HydrophobicContact CG-CD1 3.95Å; L161-I165 WeakPolarHBondContact O-CG1 3.3Å; L161-I165 PolarHBondContact O-N 3.25Å; I162-I165 PolarHBondContact O-N 2.83Å; A163-I165 PolarHBondContact O-N 3.08Å; I165-H168 WeakPolarHBondContact O-CB 3.27Å; I165-H168 PolarHBondContact O-N 3.18Å; I165-N169 PolarHBondContact O-N 3.31Å
166Y94.8Very high93.9Very high134 Ų13446.8 Ų46.853%0.52526%0.258SS..Hα-helixtrans-61.5-45.2174.9175.7-86.2000112.1I162 A163 L164 H168 N169 T170 M195I162-Y166 PolarHBondContact O-N 2.88Å; A163-Y166 WeakPolarHBondContact O-CB 3.36Å; A163-Y166 PolarHBondContact O-N 3.06Å; L164-Y166 VanDerWaalsContact C-N 3.31Å; L164-Y166 PolarHBondContact O-N 2.98Å; Y166-H168 VanDerWaalsContact C-N 3.26Å; Y166-H168 PolarHBondContact O-N 2.92Å; Y166-N169 PolarHBondContact O-N 2.95Å; Y166-T170 HydrophobicContact CD1-CG2 4.22Å; Y166-T170 HydrophobicContact CE1-CG2 3.77Å; Y166-T170 HydrophobicContact CE2-CG2 4.26Å; Y166-T170 PolarHBondContact O-N 3.42Å; Y166-T170 VanDerWaalsContact O-N 3.09Å; Y166-T170 PolarHBondContact O-OG1 3.2Å; Y166-M195 HydrophobicContact CD1-CE 2.98Å; Y166-M195 HydrophobicContact CE1-CE 3.62Å; Y166-M195 HydrophobicContact CG-CE 3.54Å
167T91.8Very high93.5Very high10 Ų1048.7 Ų48.76%0.06127%0.266CS..Hα-helixtrans-62.5-34.8174.529.50000112.9A163 L164 N169 T170 L171 L174 Y199 I249A163-T167 PolarHBondContact O-N 3.11Å; A163-T167 PolarHBondContact O-OG1 2.91Å; L164-T167 VanDerWaalsContact CA-OG1 3.3Å; L164-T167 WeakPolarHBondContact CA-OG1 3.4Å; L164-T167 PolarHBondContact O-N 3.13Å; L164-T167 PolarHBondContact O-OG1 2.75Å; T167-N169 VanDerWaalsContact C-N 3.33Å; T167-N169 PolarHBondContact O-N 3.22Å; T167-T170 VanDerWaalsContact CA-OG1 3.31Å; T167-T170 WeakPolarHBondContact CA-OG1 3.43Å; T167-T170 PolarHBondContact O-N 2.88Å; T167-T170 PolarHBondContact O-OG1 2.76Å; T167-T170 VanDerWaalsContact O-OG1 3.1Å; T167-L171 HydrophobicContact CG2-CD1 4.38Å; T167-L171 WeakPolarHBondContact O-CB 3.1Å; T167-L171 PolarHBondContact O-N 3.42Å; T167-L174 WeakPolarHBondContact OG1-CD2 3.49Å; T167-Y199 WeakPolarHBondContact CB-OH 3.46Å; T167-Y199 WeakPolarHBondContact CG2-OH 3.21Å; T167-Y199 PolarHBondContact OG1-OH 2.94Å; T167-I249 HydrophobicContact CG2-CG2 4.44Å
168H93.6Very high93.2Very high87 Ų8752.4 Ų52.440%0.40329%0.285SS..Hα-helixtrans-62.4-44175.6-17355.1000111.3L164 I165 Y166 T170 G172 L174L164-H168 PolarHBondContact O-N 3.02Å; I165-H168 WeakPolarHBondContact O-CB 3.27Å; I165-H168 PolarHBondContact O-N 3.18Å; Y166-H168 VanDerWaalsContact C-N 3.26Å; Y166-H168 PolarHBondContact O-N 2.92Å; H168-T170 VanDerWaalsContact C-N 3.31Å; H168-T170 PolarHBondContact O-N 3.47Å; H168-G172 PolarHBondContact CE1-O 3.4Å; H168-G172 VanDerWaalsContact CE1-O 3.27Å; H168-G172 CarbonylContact O-C 3.2Å; H168-G172 WeakPolarHBondContact O-CA 3.4Å; H168-G172 PolarHBondContact O-N 3.15Å; H168-L174 HydrophobicContact CB-CD1 3.84Å; H168-L174 HydrophobicContact CB-CD2 4.32Å; H168-L174 HydrophobicContact CB-CG 3.8Å
169N94.8Very high92.8Very high122 Ų12248.1 Ų48.165%0.65226%0.263SS*.Hα-helixtrans-69.2-28.5-179.8-67-12.8000113I165 Y166 T167I165-N169 PolarHBondContact O-N 3.31Å; Y166-N169 PolarHBondContact O-N 2.95Å; T167-N169 VanDerWaalsContact C-N 3.33Å; T167-N169 PolarHBondContact O-N 3.22Å
170T90.8Very high92.2Very high70 Ų7049 Ų4943%0.42927%0.268SS..Hα-helixtrans-87.4-44.7-178.647.30000113.1Y166 T167 H168Y166-T170 HydrophobicContact CD1-CG2 4.22Å; Y166-T170 HydrophobicContact CE1-CG2 3.77Å; Y166-T170 HydrophobicContact CE2-CG2 4.26Å; Y166-T170 PolarHBondContact O-N 3.42Å; Y166-T170 VanDerWaalsContact O-N 3.09Å; Y166-T170 PolarHBondContact O-OG1 3.2Å; T167-T170 VanDerWaalsContact CA-OG1 3.31Å; T167-T170 WeakPolarHBondContact CA-OG1 3.43Å; T167-T170 PolarHBondContact O-N 2.88Å; T167-T170 PolarHBondContact O-OG1 2.76Å; T167-T170 VanDerWaalsContact O-OG1 3.1Å; H168-T170 VanDerWaalsContact C-N 3.31Å; H168-T170 PolarHBondContact O-N 3.47Å
171L89.8Confident91.6Very high40 Ų4056 Ų5621%0.20930%0.304CS..Hα-helixtrans-93.2-11.2-178.1-62.4172.2000113.2T167 S173 L179 Q184T167-L171 HydrophobicContact CG2-CD1 4.38Å; T167-L171 WeakPolarHBondContact O-CB 3.1Å; T167-L171 PolarHBondContact O-N 3.42Å; L171-S173 PolarHBondContact O-N 3.41Å; L171-S173 VanDerWaalsContact O-N 3.11Å; L171-L179 HydrophobicContact CD1-CD2 3.53Å; L171-Q184 HydrophobicContact CD2-CG 4.12Å
172G90.2Very high91Very high54 Ų5456.7 Ų56.756%0.55731%0.31SS*.SBendtrans76.6-19.8-177.500000114.9H168H168-G172 PolarHBondContact CE1-O 3.4Å; H168-G172 VanDerWaalsContact CE1-O 3.27Å; H168-G172 CarbonylContact O-C 3.2Å; H168-G172 WeakPolarHBondContact O-CA 3.4Å; H168-G172 PolarHBondContact O-N 3.15Å
173S91Very high90.2Very high28 Ų2853 Ų5320%0.19630%0.298CS..  trans-144.9152.3178.671.60000112.3L171L171-S173 PolarHBondContact O-N 3.41Å; L171-S173 VanDerWaalsContact O-N 3.11Å
174L92.6Very high89.5Confident3 Ų359.6 Ų59.62%0.01633%0.328CS..  trans-116.515.1176.2-71179.4000112.7E114 L115 I116 L164 T167 H168 I176E114-L174 WeakPolarHBondContact CA-O 3.46Å; L115-L174 HydrophobicContact CB-CB 4.27Å; L115-L174 PolarHBondContact N-O 3.33Å; I116-L174 HydrophobicContact CB-CD1 3.95Å; I116-L174 HydrophobicContact CG2-CD1 4.47Å; L164-L174 HydrophobicContact CB-CD1 4.31Å; T167-L174 WeakPolarHBondContact OG1-CD2 3.49Å; H168-L174 HydrophobicContact CB-CD1 3.84Å; H168-L174 HydrophobicContact CB-CD2 4.32Å; H168-L174 HydrophobicContact CB-CG 3.8Å; L174-I176 PolarHBondContact O-N 3.47Å
175N92.4Very high89Confident27 Ų2767.3 Ų67.314%0.14436%0.364CS..BIsolated β-bridgetrans-69.8124.1176.8-177.2-3.1000108.9E114 L177 L178 L179E114-N175 HydrophobicContact CG-CB 4.4Å; N175-L177 PolarHBondContact O-N 3.09Å; N175-L177 VanDerWaalsContact O-N 3.15Å; N175-L177 PolarHBondContact OD1-N 3.41Å; N175-L177 VanDerWaalsContact OD1-N 3.17Å; N175-L178 HydrophobicContact CB-CB 4.26Å; N175-L178 HydrophobicContact CB-CD1 4.08Å; N175-L178 HydrophobicContact CB-CG 4.29Å; N175-L178 PolarHBondContact O-N 3.07Å; N175-L179 WeakPolarHBondContact O-CG 3.12Å; N175-L179 PolarHBondContact O-N 3.49Å
176I88.9Confident88.5Confident6 Ų665 Ų653%0.03135%0.352CS..Hα-helixtrans-52.8-38180-67.4161.2000111T113 L115 L174 L179 T180 R245T113-I176 WeakPolarHBondContact O-CB 3.37Å; T113-I176 WeakPolarHBondContact O-CD1 3.11Å; T113-I176 WeakPolarHBondContact O-CG1 3.47Å; T113-I176 PolarHBondContact O-N 3.33Å; L115-I176 HydrophobicContact CD2-CD1 4.08Å; L115-I176 HydrophobicContact CD2-CG1 3.83Å; L115-I176 HydrophobicContact CG-CG1 4.1Å; L174-I176 PolarHBondContact O-N 3.47Å; I176-L179 PolarHBondContact O-N 3.39Å; I176-T180 PolarHBondContact O-N 2.91Å; I176-R245 HydrophobicContact CD1-CG 4.37Å
177L86.1Confident88.2Confident47 Ų4762.3 Ų62.325%0.24635%0.353CS..Hα-helixtrans-70.2-30.1179.4-63.8175.2000113.9L49 N175 T180L49-L177 HydrophobicContact CB-CD2 3.63Å; L49-L177 HydrophobicContact CD1-CD2 3.57Å; L49-L177 HydrophobicContact CD2-CD2 3.44Å; L49-L177 VanDerWaalsContact CD2-CD2 3.44Å; L49-L177 HydrophobicContact CG-CD2 3.71Å; N175-L177 PolarHBondContact O-N 3.09Å; N175-L177 VanDerWaalsContact O-N 3.15Å; N175-L177 PolarHBondContact OD1-N 3.41Å; N175-L177 VanDerWaalsContact OD1-N 3.17Å; L177-T180 PolarHBondContact O-OG1 3.32Å
178L88.4Confident88.2Confident77 Ų7767.5 Ų67.540%0.40338%0.381SS..Hα-helixtrans-81.5-37.7175.6-73.5170.8000110.2N175 T180 L181 T182N175-L178 HydrophobicContact CB-CB 4.26Å; N175-L178 HydrophobicContact CB-CD1 4.08Å; N175-L178 HydrophobicContact CB-CG 4.29Å; N175-L178 PolarHBondContact O-N 3.07Å; L178-T180 PolarHBondContact O-N 2.84Å; L178-L181 WeakPolarHBondContact O-CB 3Å; L178-L181 PolarHBondContact O-N 2.92Å; L178-T182 PolarHBondContact O-N 3.35Å; L178-T182 PolarHBondContact O-OG1 2.91Å
179L88Confident88.2Confident4 Ų465.4 Ų65.42%0.02138%0.376CS..Hα-helixtrans-59.7-31.9177.6-73.4164.9000112.7L115 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 3.53Å; N175-L179 WeakPolarHBondContact O-CG 3.12Å; N175-L179 PolarHBondContact O-N 3.49Å; I176-L179 PolarHBondContact O-N 3.39Å; L179-L181 PolarHBondContact O-N 2.97Å; L179-A183 WeakPolarHBondContact O-CA 3.27Å; L179-A183 WeakPolarHBondContact O-CB 3.16Å; L179-A183 PolarHBondContact O-N 2.75Å; L179-I249 HydrophobicContact CD1-CD1 4.03Å; L179-I249 HydrophobicContact CD2-CD1 4.23Å; L179-I249 HydrophobicContact CD2-CG1 4.38Å
180T84.3Confident88.1Confident68 Ų6869.8 Ų69.842%0.41738%0.383SS..Hα-helixtrans-62.9-23.8173.652.20000113.2I176 L177 L178 L248I176-T180 PolarHBondContact O-N 2.91Å; L177-T180 PolarHBondContact O-OG1 3.32Å; L178-T180 PolarHBondContact O-N 2.84Å; T180-L248 HydrophobicContact CG2-CD1 3.73Å
181L84.4Confident88.3Confident147 Ų14769.7 Ų69.777%0.7739%0.39SS*.Hα-helixtrans-99.4-33.8-179.8-60.1174.5000112.6L178 L179L178-L181 WeakPolarHBondContact O-CB 3Å; L178-L181 PolarHBondContact O-N 2.92Å; L179-L181 PolarHBondContact O-N 2.97Å
182T84.1Confident88.4Confident63 Ų6369.2 Ų69.239%0.38739%0.387SS..Hα-helixtrans-105.51.3-172.962.10000114L178 Q184L178-T182 PolarHBondContact O-N 3.35Å; L178-T182 PolarHBondContact O-OG1 2.91Å; T182-Q184 PolarHBondContact O-N 2.94Å
183A79.6Confident88.7Confident42 Ų4267.7 Ų67.735%0.34737%0.366SS..PPolyproline II helixtrans-55.4122.617900000110.9L179L179-A183 WeakPolarHBondContact O-CA 3.27Å; L179-A183 WeakPolarHBondContact O-CB 3.16Å; L179-A183 PolarHBondContact O-N 2.75Å
184Q81.8Confident88.9Confident140 Ų14072 Ų7265%0.65439%0.386SS*.PPolyproline II helixtrans-91.5140.6172.2-66.6178.6-6.400109.3L171 T182 L186L171-Q184 HydrophobicContact CD2-CG 4.12Å; T182-Q184 PolarHBondContact O-N 2.94Å; Q184-L186 PolarHBondContact O-N 3.33Å
185E84.7Confident88.9Confident166 Ų16673.2 Ų73.278%0.77639%0.392SS*.PPolyproline II helixtrans-68.9128.9176-66.3-172171.500111.1S187E185-S187 PolarHBondContact O-N 2.81Å
186L86Confident89.1Confident29 Ų2972 Ų7215%0.15239%0.386CS..PPolyproline II helixtrans-77.7116.1175.5-69.8177.5000111Q184 I249 L250 N251 L253Q184-L186 PolarHBondContact O-N 3.33Å; L186-I249 VanDerWaalsContact CD1-O 3.27Å; L186-I249 WeakPolarHBondContact CD1-O 3.33Å; L186-I249 WeakPolarHBondContact CG-O 3.5Å; L186-L250 HydrophobicContact CD1-CD2 4.41Å; L186-N251 PolarHBondContact N-O 3.27Å; L186-N251 VanDerWaalsContact N-O 3.14Å; L186-L253 HydrophobicContact CB-CB 4.12Å
187S89.5Confident89.4Confident78 Ų7874.2 Ų74.255%0.54540%0.398SS..PPolyproline II helixtrans-74.115817464.10000112.5E185 S189 N192 L253E185-S187 PolarHBondContact O-N 2.81Å; S187-S189 PolarHBondContact O-N 3.13Å; S187-N192 PolarHBondContact N-ND2 3.39Å; S187-N192 VanDerWaalsContact O-CB 3.28Å; S187-N192 WeakPolarHBondContact O-CB 3.44Å; S187-N192 PolarHBondContact O-ND2 3.24Å; S187-N192 PolarHBondContact OG-ND2 3.48Å; S187-L253 WeakPolarHBondContact O-CD1 3.45Å
188N90.4Very high89.8Confident120 Ų12072.8 Ų72.864%0.64239%0.393SS*.SBendtrans-75.597.7178-170.318.2000111L253N188-L253 HydrophobicContact CB-CD1 4.45Å
189S94.1Very high90.1Very high42 Ų4269.2 Ų69.229%0.29437%0.374SS..  trans-141155.817471.90000110S187 A191 N192 N193S187-S189 PolarHBondContact O-N 3.13Å; S189-A191 PolarHBondContact O-N 3.32Å; S189-N192 PolarHBondContact O-N 2.93Å; S189-N192 VanDerWaalsContact O-N 3.09Å; S189-N192 WeakPolarHBondContact OG-CB 3.26Å; S189-N192 VanDerWaalsContact OG-CG 3.22Å; S189-N192 PolarHBondContact OG-N 3.09Å; S189-N192 PolarHBondContact OG-ND2 3.18Å; S189-N193 VanDerWaalsContact O-CG 3.28Å; S189-N193 PolarHBondContact O-N 3.5Å
190W93.6Very high90.4Very high215 Ų21569.1 Ų69.181%0.81437%0.373SS*.Hα-helixtrans-58.4-36177.3-75.9106.5000112.9N193 L194W190-N193 PolarHBondContact O-N 2.99Å; W190-L194 WeakPolarHBondContact O-CG 3.17Å; W190-L194 PolarHBondContact O-N 2.95Å
191A93.9Very high91Very high68 Ų6868.6 Ų68.656%0.56237%0.367SS*.Hα-helixtrans-62.3-46.4174.600000111.3S189 N193 L194 M195S189-A191 PolarHBondContact O-N 3.32Å; A191-N193 VanDerWaalsContact C-N 3.34Å; A191-N193 PolarHBondContact O-N 2.88Å; A191-L194 PolarHBondContact O-N 3.41Å; A191-M195 WeakPolarHBondContact O-CB 3.49Å; A191-M195 PolarHBondContact O-N 3.3Å
192N93.3Very high91.5Very high30 Ų3061.6 Ų61.616%0.1633%0.33CS..Hα-helixtrans-69.3-31.8178.5-67-15.2000112.4S187 S189 M195 W196 L253S187-N192 PolarHBondContact N-ND2 3.39Å; S187-N192 VanDerWaalsContact O-CB 3.28Å; S187-N192 WeakPolarHBondContact O-CB 3.44Å; S187-N192 PolarHBondContact O-ND2 3.24Å; S187-N192 PolarHBondContact OG-ND2 3.48Å; S189-N192 PolarHBondContact O-N 2.93Å; S189-N192 VanDerWaalsContact O-N 3.09Å; S189-N192 WeakPolarHBondContact OG-CB 3.26Å; S189-N192 VanDerWaalsContact OG-CG 3.22Å; S189-N192 PolarHBondContact OG-N 3.09Å; S189-N192 PolarHBondContact OG-ND2 3.18Å; N192-M195 PolarHBondContact O-N 2.97Å; N192-W196 WeakPolarHBondContact O-CB 3.41Å; N192-W196 PolarHBondContact O-N 2.88Å; N192-L253 HydrophobicContact CB-CD1 4.32Å; N192-L253 WeakPolarHBondContact O-CD2 3.42Å
193N94.7Very high92Very high22 Ų2258.7 Ų58.712%0.11831%0.312CS..Hα-helixtrans-65.4-44173.3-68.5-16000111.8S189 W190 A191 M195 W196 L197 L253 M257S189-N193 VanDerWaalsContact O-CG 3.28Å; S189-N193 PolarHBondContact O-N 3.5Å; W190-N193 PolarHBondContact O-N 2.99Å; A191-N193 VanDerWaalsContact C-N 3.34Å; A191-N193 PolarHBondContact O-N 2.88Å; N193-M195 VanDerWaalsContact C-N 3.34Å; N193-W196 PolarHBondContact O-N 3.16Å; N193-L197 WeakPolarHBondContact O-CG 3.39Å; N193-L197 PolarHBondContact O-N 3.33Å; N193-L197 VanDerWaalsContact O-N 3.09Å; N193-L253 WeakPolarHBondContact OD1-CD1 3.43Å; N193-M257 HydrophobicContact CB-CE 3.95Å; N193-M257 HydrophobicContact CB-SD 4.1Å
194L94.9Very high92.8Very high117 Ų11756.7 Ų56.761%0.61330%0.296SS*.Hα-helixtrans-66.1-38.3173.7-73.6172.1000111.7W190 A191 L197 A198W190-L194 WeakPolarHBondContact O-CG 3.17Å; W190-L194 PolarHBondContact O-N 2.95Å; A191-L194 PolarHBondContact O-N 3.41Å; L194-L197 PolarHBondContact O-N 3.21Å; L194-A198 WeakPolarHBondContact O-CB 3.38Å; L194-A198 PolarHBondContact O-N 2.91Å
195M93.7Very high93.5Very high29 Ų2950.3 Ų50.314%0.14327%0.266CS..Hα-helixtrans-63.4-44176.2-173.560.2114.500111.8A163 Y166 A191 N192 N193 L197 A198 Y199A163-M195 HydrophobicContact CB-CE 4.3Å; A163-M195 HydrophobicContact CB-SD 3.38Å; A163-M195 WeakPolarHBondContact CB-SD 3.24Å; Y166-M195 HydrophobicContact CD1-CE 2.98Å; Y166-M195 HydrophobicContact CE1-CE 3.62Å; Y166-M195 HydrophobicContact CG-CE 3.54Å; A191-M195 WeakPolarHBondContact O-CB 3.49Å; A191-M195 PolarHBondContact O-N 3.3Å; N192-M195 PolarHBondContact O-N 2.97Å; N193-M195 VanDerWaalsContact C-N 3.34Å; M195-L197 VanDerWaalsContact C-N 3.32Å; M195-L197 PolarHBondContact O-N 2.99Å; M195-A198 WeakPolarHBondContact O-CB 3.35Å; M195-A198 PolarHBondContact O-N 3.46Å; M195-A198 VanDerWaalsContact O-N 3.15Å; M195-Y199 HydrophobicContact CE-CE2 4.37Å; M195-Y199 HydrophobicContact CG-CD2 3.86Å; M195-Y199 HydrophobicContact CG-CE2 3.4Å; M195-Y199 VanDerWaalsContact CG-CE2 3.4Å; M195-Y199 WeakPolarHBondContact O-CD2 3.19Å; M195-Y199 PolarHBondContact O-N 2.66Å; M195-Y199 HydrophobicContact SD-CD2 4.24Å; M195-Y199 HydrophobicContact SD-CE2 3.65Å
196W95.6Very high93.9Very high1 Ų142.5 Ų42.50%0.00423%0.23CC..Hα-helixtrans-58.4-46.2174.9-175.498.2000111.1N192 N193 A198 Y199 T200 L250 L253 T254 M257 F261 L302N192-W196 WeakPolarHBondContact O-CB 3.41Å; N192-W196 PolarHBondContact O-N 2.88Å; N193-W196 PolarHBondContact O-N 3.16Å; W196-A198 VanDerWaalsContact C-N 3.34Å; W196-A198 PolarHBondContact O-N 3.31Å; W196-Y199 PolarHBondContact O-N 3.11Å; W196-T200 HydrophobicContact CD2-CG2 4.03Å; W196-T200 HydrophobicContact CE3-CG2 4.23Å; W196-T200 HydrophobicContact CH2-CG2 4.06Å; W196-T200 HydrophobicContact CZ2-CG2 3.87Å; W196-T200 HydrophobicContact CZ3-CG2 4.22Å; W196-T200 WeakPolarHBondContact CZ3-OG1 3.19Å; W196-T200 WeakPolarHBondContact O-CG2 3.25Å; W196-T200 PolarHBondContact O-N 3.45Å; W196-T200 PolarHBondContact O-OG1 3.5Å; W196-T200 VanDerWaalsContact O-OG1 3.09Å; W196-L250 HydrophobicContact CB-CD2 4.32Å; W196-L250 HydrophobicContact CG-CD2 4.1Å; W196-L253 HydrophobicContact CB-CD2 3.47Å; W196-L253 VanDerWaalsContact CB-CD2 3.47Å; W196-L253 HydrophobicContact CG-CD2 3.8Å; W196-T254 VanDerWaalsContact NE1-CG2 3.26Å; W196-M257 HydrophobicContact CD2-CB 3.59Å; W196-M257 HydrophobicContact CD2-CG 4.15Å; W196-M257 HydrophobicContact CE3-CB 3.72Å; W196-M257 HydrophobicContact CE3-CE 4.03Å; W196-M257 HydrophobicContact CE3-CG 4.33Å; W196-M257 HydrophobicContact CG-CB 4.18Å; W196-M257 HydrophobicContact CG-CG 4.3Å; W196-M257 HydrophobicContact CH2-CB 4.02Å; W196-M257 HydrophobicContact CZ2-CB 3.87Å; W196-M257 HydrophobicContact CZ3-CB 3.95Å; W196-F261 AromaticContact CH2-CD2 3.61Å; W196-F261 HydrophobicContact CH2-CD2 3.61Å; W196-F261 AromaticContact CH2-CE2 3.76Å; W196-F261 HydrophobicContact CH2-CE2 3.76Å; W196-F261 HydrophobicContact CH2-CG 4.47Å; W196-F261 AromaticContact CZ3-CD2 3.78Å; W196-F261 HydrophobicContact CZ3-CD2 3.78Å; W196-F261 AromaticContact CZ3-CE2 3.39Å; W196-F261 HydrophobicContact CZ3-CE2 3.39Å; W196-F261 HydrophobicContact CZ3-CZ 4.15Å; W196-L302 HydrophobicContact CZ2-CD2 4.36Å
197L95.6Very high94.1Very high54 Ų5441.1 Ų41.128%0.28322%0.223SC..Hα-helixtrans-60.3-43.5174.5-73.9167.4000111.7N193 L194 M195 Y199 T200 M201 M257 F261N193-L197 WeakPolarHBondContact O-CG 3.39Å; N193-L197 PolarHBondContact O-N 3.33Å; N193-L197 VanDerWaalsContact O-N 3.09Å; L194-L197 PolarHBondContact O-N 3.21Å; M195-L197 VanDerWaalsContact C-N 3.32Å; M195-L197 PolarHBondContact O-N 2.99Å; L197-Y199 VanDerWaalsContact C-N 3.3Å; L197-Y199 PolarHBondContact O-N 3.49Å; L197-T200 PolarHBondContact O-N 3.42Å; L197-M201 HydrophobicContact CB-CG 4.46Å; L197-M201 HydrophobicContact CD2-CG 4.45Å; L197-M201 VanDerWaalsContact O-CB 3.25Å; L197-M201 WeakPolarHBondContact O-CB 3.43Å; L197-M201 WeakPolarHBondContact O-CG 3.23Å; L197-M201 PolarHBondContact O-N 3.29Å; L197-M257 HydrophobicContact CD1-CE 4.36Å; L197-M257 HydrophobicContact CG-CE 4.15Å; L197-F261 HydrophobicContact CD2-CE2 4Å; L197-F261 HydrophobicContact CD2-CZ 3.69Å
198A95.8Very high93.9Very high17 Ų1737.6 Ų37.614%0.1420%0.198CC..Hα-helixtrans-60.7-39.5178.500000112P159 L160 A163 L194 M195 W196P159-A198 HydrophobicContact CB-CB 3.99Å; L160-A198 WeakPolarHBondContact CA-O 3.22Å; L160-A198 WeakPolarHBondContact CB-O 3.49Å; L160-A198 PolarHBondContact N-O 3.16Å; A163-A198 HydrophobicContact CB-CB 3.91Å; L194-A198 WeakPolarHBondContact O-CB 3.38Å; L194-A198 PolarHBondContact O-N 2.91Å; M195-A198 WeakPolarHBondContact O-CB 3.35Å; M195-A198 PolarHBondContact O-N 3.46Å; M195-A198 VanDerWaalsContact O-N 3.15Å; W196-A198 VanDerWaalsContact C-N 3.34Å; W196-A198 PolarHBondContact O-N 3.31Å
199Y94.3Very high94Very high2 Ų232.2 Ų32.21%0.00817%0.169CC..Hα-helixtrans-68.1-44.8173.8-75.7-57.8000113L160 A163 L164 T167 M195 W196 L197 F203 L246 I249 L250L160-Y199 HydrophobicContact CD1-CD1 3.75Å; L160-Y199 HydrophobicContact CD1-CE1 4.48Å; A163-Y199 HydrophobicContact CB-CD1 3.94Å; A163-Y199 HydrophobicContact CB-CD2 4.46Å; A163-Y199 HydrophobicContact CB-CE1 3.56Å; A163-Y199 HydrophobicContact CB-CE2 4.18Å; A163-Y199 HydrophobicContact CB-CG 4.34Å; A163-Y199 PolarHBondContact O-OH 3.44Å; L164-Y199 HydrophobicContact CD2-CE1 3.96Å; L164-Y199 HydrophobicContact CG-CE1 4.26Å; T167-Y199 WeakPolarHBondContact CB-OH 3.46Å; T167-Y199 WeakPolarHBondContact CG2-OH 3.21Å; T167-Y199 PolarHBondContact OG1-OH 2.94Å; M195-Y199 HydrophobicContact CE-CE2 4.37Å; M195-Y199 HydrophobicContact CG-CD2 3.86Å; M195-Y199 HydrophobicContact CG-CE2 3.4Å; M195-Y199 VanDerWaalsContact CG-CE2 3.4Å; M195-Y199 WeakPolarHBondContact O-CD2 3.19Å; M195-Y199 PolarHBondContact O-N 2.66Å; M195-Y199 HydrophobicContact SD-CD2 4.24Å; M195-Y199 HydrophobicContact SD-CE2 3.65Å; W196-Y199 PolarHBondContact O-N 3.11Å; L197-Y199 VanDerWaalsContact C-N 3.3Å; L197-Y199 PolarHBondContact O-N 3.49Å; Y199-F203 WeakPolarHBondContact O-CD2 3.47Å; Y199-F203 WeakPolarHBondContact O-CE2 3.12Å; Y199-L246 HydrophobicContact CD1-CD1 4.05Å; Y199-L246 HydrophobicContact CD1-CD2 4.26Å; Y199-I249 HydrophobicContact CE2-CG2 4.34Å; Y199-L250 HydrophobicContact CD2-CD2 3.54Å; Y199-L250 HydrophobicContact CE2-CD2 4.49Å; Y199-L250 HydrophobicContact CG-CD2 3.96Å
200T94.9Very high94Very high2 Ų233.1 Ų33.11%0.01217%0.166CC..Hα-helixtrans-84.1-33-17058.10000113.7W196 L197 A202 F203 M204 L250W196-T200 HydrophobicContact CD2-CG2 4.03Å; W196-T200 HydrophobicContact CE3-CG2 4.23Å; W196-T200 HydrophobicContact CH2-CG2 4.06Å; W196-T200 HydrophobicContact CZ2-CG2 3.87Å; W196-T200 HydrophobicContact CZ3-CG2 4.22Å; W196-T200 WeakPolarHBondContact CZ3-OG1 3.19Å; W196-T200 WeakPolarHBondContact O-CG2 3.25Å; W196-T200 PolarHBondContact O-N 3.45Å; W196-T200 PolarHBondContact O-OG1 3.5Å; W196-T200 VanDerWaalsContact O-OG1 3.09Å; L197-T200 PolarHBondContact O-N 3.42Å; T200-A202 VanDerWaalsContact C-N 3.34Å; T200-A202 PolarHBondContact O-N 2.95Å; T200-F203 PolarHBondContact O-N 3.45Å; T200-M204 WeakPolarHBondContact O-CG 3.44Å; T200-M204 PolarHBondContact O-N 3.34Å; T200-L250 HydrophobicContact CG2-CD1 3.74Å
201M95.1Very high94.1Very high56 Ų5625.2 Ų25.228%0.27615%0.151SC..Hα-helixtrans-61.4-37.5-169.2-76.5-61.3-67.300113.5L197 F203 M204 V205 L212 F261L197-M201 HydrophobicContact CB-CG 4.46Å; L197-M201 HydrophobicContact CD2-CG 4.45Å; L197-M201 VanDerWaalsContact O-CB 3.25Å; L197-M201 WeakPolarHBondContact O-CB 3.43Å; L197-M201 WeakPolarHBondContact O-CG 3.23Å; L197-M201 PolarHBondContact O-N 3.29Å; M201-F203 VanDerWaalsContact C-N 3.3Å; M201-F203 PolarHBondContact O-N 2.89Å; M201-M204 PolarHBondContact O-N 3.42Å; M201-V205 WeakPolarHBondContact O-CG2 3.2Å; M201-V205 PolarHBondContact O-N 3Å; M201-L212 HydrophobicContact CE-CD1 3.8Å; M201-F261 HydrophobicContact SD-CE1 4.06Å; M201-F261 HydrophobicContact SD-CZ 4.22Å
202A95.3Very high94.1Very high1 Ų124 Ų241%0.00814%0.135CC..Hα-helixtrans-56.6-44.8174.800000112.1G156 L160 T200 V205 K206G156-A202 WeakPolarHBondContact O-CA 3.38Å; G156-A202 WeakPolarHBondContact O-CB 3.4Å; G156-A202 PolarHBondContact O-N 3.25Å; L160-A202 HydrophobicContact CB-CB 3.91Å; L160-A202 HydrophobicContact CD2-CB 3.65Å; L160-A202 HydrophobicContact CG-CB 4.38Å; T200-A202 VanDerWaalsContact C-N 3.34Å; T200-A202 PolarHBondContact O-N 2.95Å; A202-V205 PolarHBondContact O-N 3.17Å; A202-K206 PolarHBondContact O-N 2.98Å
203F96.1Very high94.3Very high1 Ų123.2 Ų23.20%0.00413%0.131CC..Hα-helixtrans-76.2-32.6-179.6-53.8-64.5000112F118 F122 L160 Y199 T200 M201 V205 K206 M207 G239 M243 L246F118-F203 AromaticContact CE1-CE1 3.67Å; F118-F203 HydrophobicContact CE1-CE1 3.67Å; F118-F203 AromaticContact CE1-CZ 3.76Å; F118-F203 HydrophobicContact CE1-CZ 3.76Å; F118-F203 AromaticContact CZ-CE1 3.86Å; F118-F203 HydrophobicContact CZ-CE1 3.86Å; F118-F203 HydrophobicContact CZ-CZ 4.41Å; F122-F203 HydrophobicContact CE2-CD1 4.33Å; F122-F203 HydrophobicContact CE2-CE1 4.19Å; F122-F203 HydrophobicContact CZ-CD1 4.43Å; F122-F203 HydrophobicContact CZ-CE1 4.3Å; L160-F203 HydrophobicContact CD1-CE2 3.94Å; L160-F203 HydrophobicContact CD1-CZ 4.26Å; L160-F203 HydrophobicContact CD2-CE1 4.26Å; L160-F203 HydrophobicContact CD2-CE2 3.77Å; L160-F203 HydrophobicContact CD2-CZ 3.46Å; L160-F203 VanDerWaalsContact CD2-CZ 3.46Å; Y199-F203 WeakPolarHBondContact O-CD2 3.47Å; Y199-F203 WeakPolarHBondContact O-CE2 3.12Å; T200-F203 PolarHBondContact O-N 3.45Å; M201-F203 VanDerWaalsContact C-N 3.3Å; M201-F203 PolarHBondContact O-N 2.89Å; F203-V205 VanDerWaalsContact C-N 3.26Å; F203-V205 PolarHBondContact O-N 2.94Å; F203-K206 PolarHBondContact O-N 2.69Å; F203-M207 WeakPolarHBondContact O-CB 3.34Å; F203-M207 PolarHBondContact O-N 2.72Å; F203-G239 WeakPolarHBondContact CB-O 3.07Å; F203-M243 HydrophobicContact CB-CB 4.19Å; F203-M243 HydrophobicContact CB-CG 4.33Å; F203-M243 HydrophobicContact CB-SD 4.33Å; F203-M243 HydrophobicContact CG-CB 4.48Å; F203-L246 HydrophobicContact CD2-CD1 4.02Å; F203-L246 HydrophobicContact CE2-CD1 3.16Å; F203-L246 HydrophobicContact CE2-CG 4.39Å; F203-L246 HydrophobicContact CZ-CD1 3.81Å
204M95.2Very high94.3Very high0 Ų026.2 Ų26.20%015%0.146CC..Hα-helixtrans-70.7-19.3173.2-65.2-62.5-171.600113.6T200 M201 M207 L209 M243 F261 V298 L302T200-M204 WeakPolarHBondContact O-CG 3.44Å; T200-M204 PolarHBondContact O-N 3.34Å; M201-M204 PolarHBondContact O-N 3.42Å; M204-M207 CarbonylContact C-O 3.53Å; M204-L209 HydrophobicContact CB-CB 4.32Å; M204-L209 WeakPolarHBondContact O-CB 3.46Å; M204-L209 PolarHBondContact O-N 2.92Å; M204-L209 HydrophobicContact SD-CD1 4.26Å; M204-M243 HydrophobicContact CE-CE 3.83Å; M204-M243 HydrophobicContact CE-SD 3.54Å; M204-M243 VanDerWaalsContact CE-SD 3.54Å; M204-M243 HydrophobicContact SD-CE 4.41Å; M204-M243 HydrophobicContact SD-SD 3.84Å; M204-F261 HydrophobicContact CE-CB 4.19Å; M204-F261 HydrophobicContact CE-CD1 4.3Å; M204-F261 HydrophobicContact CE-CG 4.27Å; M204-F261 HydrophobicContact CG-CD1 4.49Å; M204-V298 HydrophobicContact CE-CG1 4.14Å; M204-V298 HydrophobicContact SD-CG1 3.88Å; M204-L302 HydrophobicContact CE-CD1 3.97Å; M204-L302 HydrophobicContact CE-CD2 3.85Å; M204-L302 HydrophobicContact CE-CG 4.18Å
205V96.5Very high94.4Very high6 Ų620.8 Ų20.84%0.03612%0.117CC..Hα-helixtrans-79.5-42.8168.2171.50000110.5Y152 T153 M201 A202 F203 L212 W215Y152-V205 HydrophobicContact CD1-CG1 4.47Å; Y152-V205 WeakPolarHBondContact O-CG1 3.35Å; T153-V205 HydrophobicContact CG2-CG1 4.35Å; M201-V205 WeakPolarHBondContact O-CG2 3.2Å; M201-V205 PolarHBondContact O-N 3Å; A202-V205 PolarHBondContact O-N 3.17Å; F203-V205 VanDerWaalsContact C-N 3.26Å; F203-V205 PolarHBondContact O-N 2.94Å; V205-L212 HydrophobicContact CG2-CD1 3.96Å; V205-W215 WeakPolarHBondContact O-CZ2 3.41Å; V205-W215 PolarHBondContact O-NE1 3.34Å
206K94Very high94.4Very high3 Ų319.4 Ų19.41%0.01311%0.111CC..Hα-helixtrans-71.8-45-179.5-73-74.9-169.2167.10113.6F122 T153 A202 F203 P208 L236F122-K206 HydrophobicContact CE2-CD 4.16Å; F122-K206 HydrophobicContact CE2-CG 3.73Å; F122-K206 HydrophobicContact CZ-CD 4.04Å; F122-K206 VanDerWaalsContact CZ-CE 3.42Å; F122-K206 HydrophobicContact CZ-CG 3.46Å; F122-K206 VanDerWaalsContact CZ-CG 3.46Å; T153-K206 HydrophobicContact CG2-CD 3.81Å; T153-K206 VanDerWaalsContact CG2-CE 3.49Å; A202-K206 PolarHBondContact O-N 2.98Å; F203-K206 PolarHBondContact O-N 2.69Å; K206-P208 WeakPolarHBondContact O-CD 3.42Å; K206-L236 WeakPolarHBondContact O-CD2 3.2Å
207M90.2Very high94.3Very high0 Ų020 Ų200%011%0.114CC..THydrogen-bonded Turntrans-81.895.9159.3-79.8-170.5-62.200105.7F203 M204 L209 L236 G240 M243 V297 V298 I301F203-M207 WeakPolarHBondContact O-CB 3.34Å; F203-M207 PolarHBondContact O-N 2.72Å; M204-M207 CarbonylContact C-O 3.53Å; M207-L209 VanDerWaalsContact C-N 3.35Å; M207-L209 PolarHBondContact O-N 2.89Å; M207-L236 WeakPolarHBondContact CG-O 3.3Å; M207-G240 WeakPolarHBondContact SD-CA 3.48Å; M207-G240 PolarHBondContact SD-N 3.49Å; M207-M243 HydrophobicContact CE-CB 3.98Å; M207-M243 HydrophobicContact CE-CE 3.69Å; M207-M243 HydrophobicContact CE-CG 4.35Å; M207-M243 HydrophobicContact CE-SD 3.42Å; M207-M243 WeakPolarHBondContact CE-SD 3.31Å; M207-V297 HydrophobicContact SD-CG1 3.95Å; M207-V298 HydrophobicContact CB-CG2 3.86Å; M207-V298 HydrophobicContact CE-CG2 3.97Å; M207-V298 HydrophobicContact CG-CG2 4.46Å; M207-V298 HydrophobicContact SD-CG2 3.84Å; M207-I301 HydrophobicContact CE-CD1 4Å; M207-I301 HydrophobicContact SD-CD1 4.09Å
208P84.8Confident94.2Very high3 Ų321.1 Ų21.12%0.01912%0.117CC..THydrogen-bonded Turntrans-58.193.5-166.331.1-44.1000110.5K206 H213 L216 I291K206-P208 WeakPolarHBondContact O-CD 3.42Å; P208-H213 HydrophobicContact CB-CB 3.66Å; P208-L216 HydrophobicContact CB-CD1 3.97Å; P208-L216 HydrophobicContact CG-CD1 3.48Å; P208-L216 VanDerWaalsContact CG-CD1 3.48Å; P208-I291 HydrophobicContact CB-CG1 4.24Å; P208-I291 HydrophobicContact CG-CB 4.38Å; P208-I291 HydrophobicContact CG-CG1 3.87Å; P208-I291 HydrophobicContact CG-CG2 4.28Å
209L92.6Very high94.1Very high8 Ų820.3 Ų20.34%0.04211%0.111CC..  trans-61.1145.5173.6-173.378.3000108M204 M207 G211 L212 H213 F261 L264 V298M204-L209 HydrophobicContact CB-CB 4.32Å; M204-L209 WeakPolarHBondContact O-CB 3.46Å; M204-L209 PolarHBondContact O-N 2.92Å; M204-L209 HydrophobicContact SD-CD1 4.26Å; M207-L209 VanDerWaalsContact C-N 3.35Å; M207-L209 PolarHBondContact O-N 2.89Å; L209-G211 PolarHBondContact O-N 2.85Å; L209-L212 HydrophobicContact CB-CB 4.47Å; L209-L212 HydrophobicContact CB-CD1 4.41Å; L209-L212 HydrophobicContact CD2-CD1 4.46Å; L209-L212 CarbonylContact O-C 3.28Å; L209-L212 WeakPolarHBondContact O-CA 3.23Å; L209-L212 PolarHBondContact O-N 2.98Å; L209-H213 PolarHBondContact O-N 2.67Å; L209-F261 HydrophobicContact CD1-CD1 4.44Å; L209-F261 HydrophobicContact CD2-CD1 3.54Å; L209-F261 HydrophobicContact CD2-CE1 3.96Å; L209-L264 HydrophobicContact CD1-CB 4.29Å; L209-L264 HydrophobicContact CD2-CB 4.44Å; L209-L264 HydrophobicContact CD2-CD1 3.93Å; L209-L264 HydrophobicContact CG-CB 4.39Å; L209-V298 HydrophobicContact CD1-CG1 4.18Å
210Y94.3Very high94.1Very high61 Ų6120.2 Ų20.224%0.23911%0.11CC..THydrogen-bonded Turntrans-54.5135.2169.4-170.3-104.6000110.6L212 H213 L264 G268 M271 T272Y210-L212 PolarHBondContact O-N 3.3Å; Y210-H213 AromaticContact CD2-CE1 3.54Å; Y210-H213 AromaticContact CD2-ND1 3.89Å; Y210-H213 AromaticContact CE2-CE1 3.71Å; Y210-L264 WeakPolarHBondContact CB-O 3.48Å; Y210-L264 HydrophobicContact CD1-CD2 4.46Å; Y210-G268 VanDerWaalsContact CG-CA 3.46Å; Y210-M271 HydrophobicContact CE2-CB 3.83Å; Y210-T272 HydrophobicContact CD2-CG2 3.93Å; Y210-T272 HydrophobicContact CE2-CG2 4.18Å
211G94.5Very high94Very high48 Ų4820.6 Ų20.650%0.49511%0.113SC..THydrogen-bonded Turntrans90.1-40.1-164.400000115.2L209 H213L209-G211 PolarHBondContact O-N 2.85Å; G211-H213 PolarHBondContact N-ND1 3.36Å
212L95.7Very high94Very high44 Ų4418.7 Ų18.723%0.2310%0.103CC..THydrogen-bonded Turntrans-98.11.4179-60.6175.2000113.7M201 V205 L209 Y210 L214 W215M201-L212 HydrophobicContact CE-CD1 3.8Å; V205-L212 HydrophobicContact CG2-CD1 3.96Å; L209-L212 HydrophobicContact CB-CB 4.47Å; L209-L212 HydrophobicContact CB-CD1 4.41Å; L209-L212 HydrophobicContact CD2-CD1 4.46Å; L209-L212 CarbonylContact O-C 3.28Å; L209-L212 WeakPolarHBondContact O-CA 3.23Å; L209-L212 PolarHBondContact O-N 2.98Å; Y210-L212 PolarHBondContact O-N 3.3Å; L212-L214 PolarHBondContact O-N 3.26Å; L212-W215 PolarHBondContact O-NE1 2.89Å
213H96.3Very high94Very high13 Ų1318.7 Ų18.76%0.0610%0.103CC..THydrogen-bonded Turntrans-80.8-6.7-172.765.1-82.6000115.7P208 L209 Y210 G211 W215 L216 P217 I291P208-H213 HydrophobicContact CB-CB 3.66Å; L209-H213 PolarHBondContact O-N 2.67Å; Y210-H213 AromaticContact CD2-CE1 3.54Å; Y210-H213 AromaticContact CD2-ND1 3.89Å; Y210-H213 AromaticContact CE2-CE1 3.71Å; G211-H213 PolarHBondContact N-ND1 3.36Å; H213-W215 PolarHBondContact O-N 2.91Å; H213-W215 VanDerWaalsContact O-N 3.09Å; H213-L216 WeakPolarHBondContact O-CB 3.28Å; H213-L216 PolarHBondContact O-N 3.34Å; H213-P217 WeakPolarHBondContact O-CD 3.21Å; H213-I291 HydrophobicContact CB-CD1 3.76Å; H213-I291 HydrophobicContact CB-CG1 4.15Å; H213-I291 HydrophobicContact CB-CG2 3.96Å
214L95.8Very high93.9Very high84 Ų8419 Ų1944%0.4411%0.105SC..THydrogen-bonded Turntrans-60.6-25.2-169.8-68.2176.6000114.6L212 L216L212-L214 PolarHBondContact O-N 3.26Å; L214-L216 VanDerWaalsContact C-N 3.29Å
215W96.1Very high93.9Very high3 Ų319.2 Ų19.21%0.01111%0.106CC..Hα-helixtrans-68.5-30.5176.368.6-95.2000112F149 Y152 V205 L212 H213 K218 A219 L236F149-W215 HydrophobicContact CD2-CD2 4.33Å; F149-W215 AromaticContact CD2-CE3 3.52Å; F149-W215 HydrophobicContact CD2-CE3 3.52Å; F149-W215 HydrophobicContact CD2-CH2 4.26Å; F149-W215 AromaticContact CD2-CZ3 3.47Å; F149-W215 HydrophobicContact CD2-CZ3 3.47Å; F149-W215 VanDerWaalsContact CD2-CZ3 3.47Å; F149-W215 HydrophobicContact CE2-CE3 4.24Å; F149-W215 HydrophobicContact CE2-CH2 4.17Å; F149-W215 AromaticContact CE2-CZ3 3.72Å; F149-W215 HydrophobicContact CE2-CZ3 3.72Å; F149-W215 HydrophobicContact CG-CE3 4.48Å; Y152-W215 HydrophobicContact CD1-CB 4.44Å; Y152-W215 AromaticContact CD1-CD1 3.59Å; Y152-W215 HydrophobicContact CD1-CG 4.36Å; Y152-W215 HydrophobicContact CG-CB 4.26Å; Y152-W215 AromaticContact CG-CD1 3.97Å; Y152-W215 HydrophobicContact CG-CG 4.4Å; V205-W215 WeakPolarHBondContact O-CZ2 3.41Å; V205-W215 PolarHBondContact O-NE1 3.34Å; L212-W215 PolarHBondContact O-NE1 2.89Å; H213-W215 PolarHBondContact O-N 2.91Å; H213-W215 VanDerWaalsContact O-N 3.09Å; W215-K218 PolarHBondContact O-N 3.3Å; W215-A219 HydrophobicContact CE3-CB 3.94Å; W215-A219 HydrophobicContact CZ3-CB 4.24Å; W215-A219 VanDerWaalsContact O-CB 3.25Å; W215-A219 WeakPolarHBondContact O-CB 3.33Å; W215-A219 PolarHBondContact O-N 2.99Å; W215-L236 HydrophobicContact CH2-CD2 3.85Å; W215-L236 HydrophobicContact CZ2-CD2 4.25Å
216L93.7Very high93.8Very high0 Ų019 Ų190%011%0.105CC..Hα-helixtrans-71.1-51-168.4-171.2164.3000112.5P208 H213 L214 K218 A219 H220 L236 A287 I291P208-L216 HydrophobicContact CB-CD1 3.97Å; P208-L216 HydrophobicContact CG-CD1 3.48Å; P208-L216 VanDerWaalsContact CG-CD1 3.48Å; H213-L216 WeakPolarHBondContact O-CB 3.28Å; H213-L216 PolarHBondContact O-N 3.34Å; L214-L216 VanDerWaalsContact C-N 3.29Å; L216-K218 PolarHBondContact O-N 3.05Å; L216-A219 PolarHBondContact O-N 3.2Å; L216-H220 WeakPolarHBondContact CD2-CD2 3.37Å; L216-H220 VanDerWaalsContact CG-CD2 3.43Å; L216-H220 WeakPolarHBondContact CG-CD2 2.82Å; L216-H220 PolarHBondContact O-CD2 3.35Å; L216-H220 VanDerWaalsContact O-CD2 3.32Å; L216-H220 PolarHBondContact O-N 3.3Å; L216-L236 HydrophobicContact CD1-CD1 3.99Å; L216-L236 HydrophobicContact CD1-CD2 3.53Å; L216-L236 HydrophobicContact CD1-CG 4.41Å; L216-A287 HydrophobicContact CD2-CB 3.7Å; L216-A287 WeakPolarHBondContact CD2-O 3.27Å; L216-I291 HydrophobicContact CB-CD1 4.42Å; L216-I291 HydrophobicContact CD1-CG1 3.92Å; L216-I291 HydrophobicContact CD2-CD1 4.24Å; L216-I291 HydrophobicContact CD2-CG1 4.16Å; L216-I291 HydrophobicContact CG-CG1 4.46Å
217P94.6Very high93.8Very high13 Ų1319.1 Ų19.18%0.08411%0.107CC..Hα-helixtrans-56.6-39.6177.1-25.935.4000112H213 V221 Y288 I291H213-P217 WeakPolarHBondContact O-CD 3.21Å; P217-V221 WeakPolarHBondContact O-CB 3.2Å; P217-V221 WeakPolarHBondContact O-CG2 3.39Å; P217-V221 PolarHBondContact O-N 2.99Å; P217-V221 VanDerWaalsContact O-N 3.13Å; P217-Y288 HydrophobicContact CB-CE2 3.95Å; P217-Y288 HydrophobicContact CG-CD1 4.28Å; P217-Y288 HydrophobicContact CG-CD2 4.38Å; P217-Y288 HydrophobicContact CG-CE1 3.74Å; P217-Y288 HydrophobicContact CG-CE2 3.84Å; P217-Y288 VanDerWaalsContact CG-CZ 3.49Å; P217-I291 HydrophobicContact CG-CD1 4.07Å
218K93.2Very high94Very high79 Ų7919.1 Ų19.134%0.34311%0.107SC..Hα-helixtrans-66.4-49.1176.5-63.7178.7-177.7174.80111.9A145 Y148 W215 L216 H220 V221 E222A145-K218 HydrophobicContact CB-CB 4.02Å; Y148-K218 HydrophobicContact CD2-CD 3.88Å; Y148-K218 HydrophobicContact CE2-CD 4.19Å; Y148-K218 HydrophobicContact CG-CD 4.28Å; Y148-K218 PolarHBondContact OH-NZ 2.86Å; W215-K218 PolarHBondContact O-N 3.3Å; L216-K218 PolarHBondContact O-N 3.05Å; K218-H220 PolarHBondContact O-N 3.3Å; K218-V221 PolarHBondContact O-N 2.96Å; K218-E222 PolarHBondContact O-N 3Å; K218-E222 VanDerWaalsContact O-N 3.09Å
219A93.8Very high94.6Very high0 Ų019 Ų190%011%0.106CC..Hα-helixtrans-62.2-45.5-17800000112W215 L216 A223 L231W215-A219 HydrophobicContact CE3-CB 3.94Å; W215-A219 HydrophobicContact CZ3-CB 4.24Å; W215-A219 VanDerWaalsContact O-CB 3.25Å; W215-A219 WeakPolarHBondContact O-CB 3.33Å; W215-A219 PolarHBondContact O-N 2.99Å; L216-A219 PolarHBondContact O-N 3.2Å; A219-A223 WeakPolarHBondContact O-CB 3.4Å; A219-A223 PolarHBondContact O-N 2.91Å; A219-L231 HydrophobicContact CB-CD1 4.47Å
220H93.9Very high94.8Very high0 Ų019.2 Ų19.20%011%0.108CC..Hα-helixtrans-69.8-39.2-179.8-82.8-89.4000113.7L216 K218 S228 L231 A232 A287 F327L216-H220 WeakPolarHBondContact CD2-CD2 3.37Å; L216-H220 VanDerWaalsContact CG-CD2 3.43Å; L216-H220 WeakPolarHBondContact CG-CD2 2.82Å; L216-H220 PolarHBondContact O-CD2 3.35Å; L216-H220 VanDerWaalsContact O-CD2 3.32Å; L216-H220 PolarHBondContact O-N 3.3Å; K218-H220 PolarHBondContact O-N 3.3Å; H220-S228 PolarHBondContact CE1-O 3.08Å; H220-S228 PolarHBondContact O-OG 2.97Å; H220-L231 WeakPolarHBondContact CE1-CB 3.33Å; H220-A232 PolarHBondContact CE1-N 2.94Å; H220-A232 VanDerWaalsContact CE1-N 3.34Å; H220-A287 HydrophobicContact CB-CB 3.94Å; H220-F327 HydrophobicContact CB-CE1 4.12Å; H220-F327 HydrophobicContact CB-CZ 3.87Å; H220-F327 AromaticContact CE1-CE2 3.97Å; H220-F327 AromaticContact CG-CZ 3.76Å; H220-F327 AromaticContact ND1-CE2 3.43Å; H220-F327 WeakPolarHBondContact ND1-CE2 3.32Å; H220-F327 AromaticContact ND1-CZ 3.26Å; H220-F327 VanDerWaalsContact ND1-CZ 3.26Å; H220-F327 WeakPolarHBondContact ND1-CZ 3.49Å
221V93.3Very high94.8Very high10 Ų1016.4 Ų16.46%0.06110%0.097CC..Hα-helixtrans-69.8-39.3-176.8169.40000110.6P217 K218 K283 R340P217-V221 WeakPolarHBondContact O-CB 3.2Å; P217-V221 WeakPolarHBondContact O-CG2 3.39Å; P217-V221 PolarHBondContact O-N 2.99Å; P217-V221 VanDerWaalsContact O-N 3.13Å; K218-V221 PolarHBondContact O-N 2.96Å; V221-K283 HydrophobicContact CG2-CB 4.07Å; V221-R340 PolarHBondContact O-NH1 3.3Å
222E94Very high94.7Very high15 Ų1514.1 Ų14.17%0.077%0.073CC..Hα-helixtrans-91.4-14.3-178.5-56.1-49.2156.200115.5G137 Q139 E141 R142 A145 K218 R340G137-E222 WeakPolarHBondContact CA-O 3.08Å; Q139-E222 WeakPolarHBondContact CB-OE2 3.45Å; Q139-E222 VanDerWaalsContact CG-OE2 3.27Å; Q139-E222 WeakPolarHBondContact CG-OE2 3.42Å; E141-E222 HydrophobicContact CB-CG 4.13Å; R142-E222 HydrophobicContact CB-CB 4.17Å; A145-E222 HydrophobicContact CB-CB 4.14Å; A145-E222 HydrophobicContact CB-CG 4.28Å; K218-E222 PolarHBondContact O-N 3Å; K218-E222 VanDerWaalsContact O-N 3.09Å; E222-R340 VanDerWaalsContact CD-NH1 3.32Å; E222-R340 IonicContact OE1-CZ 2.93Å; E222-R340 IonicContact OE1-NH1 3.81Å; E222-R340 PolarHBondContact OE1-NH1 2.73Å; E222-R340 VanDerWaalsContact OE1-NH1 3.16Å; E222-R340 IonicContact OE1-NH2 3.37Å; E222-R340 PolarHBondContact OE1-NH2 3.05Å; E222-R340 IonicContact OE2-CZ 3.09Å; E222-R340 IonicContact OE2-NH1 3.28Å; E222-R340 PolarHBondContact OE2-NH1 3.01Å; E222-R340 IonicContact OE2-NH2 3.56Å
223A94.6Very high94.6Very high2 Ų212 Ų122%0.0176%0.063CC..SBendtrans-65.8147.917100000112.4I133 A219 L231 K283I133-A223 HydrophobicContact CG1-CB 4.09Å; A219-A223 WeakPolarHBondContact O-CB 3.4Å; A219-A223 PolarHBondContact O-N 2.91Å; A223-L231 HydrophobicContact CB-CD1 4.22Å; A223-K283 PolarHBondContact O-NZ 3.26Å
224P95.3Very high94.6Very high7 Ų711.5 Ų11.55%0.0456%0.061CC..  trans-64164.1162.330.3-34.8000110.1Y95 I132 W136 A226 G227 S228Y95-P224 HydrophobicContact CE2-CG 4.39Å; I132-P224 HydrophobicContact CG2-CG 3.59Å; W136-P224 HydrophobicContact CB-CG 4.1Å; W136-P224 WeakPolarHBondContact O-CB 3.46Å; P224-A226 VanDerWaalsContact C-N 3.34Å; P224-A226 PolarHBondContact O-N 2.98Å; P224-G227 WeakPolarHBondContact O-CA 2.73Å; P224-G227 PolarHBondContact O-N 3.12Å; P224-S228 PolarHBondContact O-N 2.91Å; P224-S228 PolarHBondContact O-OG 2.82Å
225I95.6Very high94.6Very high5 Ų57.7 Ų7.73%0.0264%0.04CC..Hα-helixtrans-52.9-45.6-173.3-175.351.5000113.9A79 G227 S228 M229 F327 N331A79-I225 HydrophobicContact CB-CG1 3.93Å; A79-I225 HydrophobicContact CB-CG2 3.87Å; I225-G227 VanDerWaalsContact C-N 3.29Å; I225-G227 PolarHBondContact O-N 3.23Å; I225-S228 PolarHBondContact O-N 3.41Å; I225-M229 HydrophobicContact CD1-CG 4.06Å; I225-M229 HydrophobicContact CD1-SD 4.33Å; I225-M229 HydrophobicContact CG1-CG 4.34Å; I225-M229 HydrophobicContact CG1-SD 4.01Å; I225-M229 VanDerWaalsContact O-CG 3.23Å; I225-M229 WeakPolarHBondContact O-CG 3.07Å; I225-M229 PolarHBondContact O-N 3.21Å; I225-F327 HydrophobicContact CD1-CB 4.01Å; I225-F327 WeakPolarHBondContact CD1-O 3.46Å; I225-N331 HydrophobicContact CB-CB 4.23Å; I225-N331 HydrophobicContact CD1-CB 3.74Å; I225-N331 HydrophobicContact CG1-CB 3.85Å
226A94.1Very high94.4Very high0 Ų07.5 Ų7.50%04%0.04CC..Hα-helixtrans-61.3-38.9177.100000112.3T76 Y95 L99 P224 M229 V230T76-A226 HydrophobicContact CG2-CB 4.31Å; Y95-A226 HydrophobicContact CE1-CB 4.46Å; Y95-A226 WeakPolarHBondContact OH-CB 2.91Å; L99-A226 HydrophobicContact CD1-CB 4.16Å; L99-A226 HydrophobicContact CD2-CB 3.87Å; P224-A226 VanDerWaalsContact C-N 3.34Å; P224-A226 PolarHBondContact O-N 2.98Å; A226-M229 PolarHBondContact O-N 3.13Å; A226-V230 WeakPolarHBondContact O-CG2 3.16Å; A226-V230 PolarHBondContact O-N 3.48Å
227G93.9Very high94.6Very high7 Ų77.5 Ų7.57%0.0724%0.04CC..Hα-helixtrans-62.4-50.1176.100000111P224 I225 M229 V230 L231P224-G227 WeakPolarHBondContact O-CA 2.73Å; P224-G227 PolarHBondContact O-N 3.12Å; I225-G227 VanDerWaalsContact C-N 3.29Å; I225-G227 PolarHBondContact O-N 3.23Å; G227-M229 VanDerWaalsContact C-N 3.29Å; G227-M229 PolarHBondContact O-N 3.45Å; G227-V230 PolarHBondContact O-N 3.23Å; G227-L231 VanDerWaalsContact O-CB 3.24Å; G227-L231 WeakPolarHBondContact O-CB 3.29Å; G227-L231 WeakPolarHBondContact O-CD1 3.45Å; G227-L231 WeakPolarHBondContact O-CG 3.42Å; G227-L231 PolarHBondContact O-N 3.3Å
228S94.9Very high94.6Very high0 Ų06.9 Ų6.90%04%0.036CC..Hα-helixtrans-58.2-39.9176.2-49.50000112H220 P224 I225 A232H220-S228 PolarHBondContact CE1-O 3.08Å; H220-S228 PolarHBondContact O-OG 2.97Å; P224-S228 PolarHBondContact O-N 2.91Å; P224-S228 PolarHBondContact O-OG 2.82Å; I225-S228 PolarHBondContact O-N 3.41Å; S228-A232 VanDerWaalsContact O-CB 3.25Å; S228-A232 WeakPolarHBondContact O-CB 3.35Å; S228-A232 PolarHBondContact O-N 3.46Å
229M97.1Very high94.7Very high0 Ų03.1 Ų3.10%02%0.019CC..Hα-helixtrans-64.5-52.2177.4-69.2168.776.100112L72 L75 T76 A79 I225 A226 G227 A232 A233 C328L72-M229 HydrophobicContact CD1-CE 4.3Å; L75-M229 HydrophobicContact CB-CE 3.93Å; T76-M229 HydrophobicContact CG2-CB 3.97Å; T76-M229 HydrophobicContact CG2-CE 3.98Å; T76-M229 HydrophobicContact CG2-SD 4.03Å; A79-M229 HydrophobicContact CB-SD 3.61Å; I225-M229 HydrophobicContact CD1-CG 4.06Å; I225-M229 HydrophobicContact CD1-SD 4.33Å; I225-M229 HydrophobicContact CG1-CG 4.34Å; I225-M229 HydrophobicContact CG1-SD 4.01Å; I225-M229 VanDerWaalsContact O-CG 3.23Å; I225-M229 WeakPolarHBondContact O-CG 3.07Å; I225-M229 PolarHBondContact O-N 3.21Å; A226-M229 PolarHBondContact O-N 3.13Å; G227-M229 VanDerWaalsContact C-N 3.29Å; G227-M229 PolarHBondContact O-N 3.45Å; M229-A232 PolarHBondContact O-N 2.78Å; M229-A233 WeakPolarHBondContact O-CB 3.16Å; M229-A233 PolarHBondContact O-N 3.49Å; M229-C328 PolarHBondContact SD-SG 3.39Å
230V96.7Very high94.8Very high12 Ų123.1 Ų3.17%0.0732%0.019CC..Hα-helixtrans-67.4-38.5-178.4-175.10000111.4L72 T76 L102 L106 A226 G227 V234 L235L72-V230 HydrophobicContact CD2-CB 4.28Å; L72-V230 HydrophobicContact CD2-CG2 3.95Å; T76-V230 HydrophobicContact CG2-CG2 3.82Å; L102-V230 HydrophobicContact CD2-CB 4.05Å; L102-V230 HydrophobicContact CD2-CG1 3.52Å; L102-V230 HydrophobicContact CD2-CG2 4.21Å; L102-V230 HydrophobicContact CG-CG1 4.13Å; L106-V230 HydrophobicContact CD1-CG1 3.92Å; A226-V230 WeakPolarHBondContact O-CG2 3.16Å; A226-V230 PolarHBondContact O-N 3.48Å; G227-V230 PolarHBondContact O-N 3.23Å; V230-V234 PolarHBondContact O-N 3.18Å; V230-L235 HydrophobicContact CG1-CD1 4.12Å; V230-L235 HydrophobicContact CG1-CG 4.25Å; V230-L235 PolarHBondContact O-N 2.81Å; V230-L235 VanDerWaalsContact O-N 3.09Å
231L93.7Very high94.8Very high2 Ų23.1 Ų3.11%0.012%0.019CC..Iπ-helixtrans-55.2-52.5172.3-75163.6000110.6I133 F149 A219 H220 A223 G227 L235 L236I133-L231 HydrophobicContact CD1-CD1 4.11Å; F149-L231 HydrophobicContact CE2-CD2 3.99Å; F149-L231 HydrophobicContact CZ-CD2 4.17Å; A219-L231 HydrophobicContact CB-CD1 4.47Å; H220-L231 WeakPolarHBondContact CE1-CB 3.33Å; A223-L231 HydrophobicContact CB-CD1 4.22Å; G227-L231 VanDerWaalsContact O-CB 3.24Å; G227-L231 WeakPolarHBondContact O-CB 3.29Å; G227-L231 WeakPolarHBondContact O-CD1 3.45Å; G227-L231 WeakPolarHBondContact O-CG 3.42Å; G227-L231 PolarHBondContact O-N 3.3Å; L231-L235 HydrophobicContact CB-CD1 4.44Å; L231-L235 HydrophobicContact CD2-CB 4.38Å; L231-L235 HydrophobicContact CD2-CD1 3.51Å; L231-L235 HydrophobicContact CG-CD1 3.94Å; L231-L235 PolarHBondContact O-N 3.06Å; L231-L236 WeakPolarHBondContact O-CG 3.41Å; L231-L236 PolarHBondContact O-N 3.26Å
232A91.9Very high94.9Very high0 Ų02.7 Ų2.70%02%0.017CC..Iπ-helixtrans-71-48.8-173.600000111.2H220 S228 M229 K237 S323 F327H220-A232 PolarHBondContact CE1-N 2.94Å; H220-A232 VanDerWaalsContact CE1-N 3.34Å; S228-A232 VanDerWaalsContact O-CB 3.25Å; S228-A232 WeakPolarHBondContact O-CB 3.35Å; S228-A232 PolarHBondContact O-N 3.46Å; M229-A232 PolarHBondContact O-N 2.78Å; A232-K237 PolarHBondContact O-NZ 3.49Å; A232-S323 WeakPolarHBondContact CB-OG 3.35Å; A232-F327 HydrophobicContact CB-CD2 3.87Å; A232-F327 HydrophobicContact CB-CE2 3.7Å
233A94.3Very high95Very high0 Ų02.2 Ų2.20%01%0.014CC..Iπ-helixtrans-73.8-39.6-170.500000112.9L68 L72 M229 K237 G320L68-A233 WeakPolarHBondContact CD2-O 3.23Å; L72-A233 HydrophobicContact CD1-CB 3.9Å; L72-A233 HydrophobicContact CD2-CB 3.62Å; L72-A233 HydrophobicContact CG-CB 4.41Å; M229-A233 WeakPolarHBondContact O-CB 3.16Å; M229-A233 PolarHBondContact O-N 3.49Å; A233-K237 WeakPolarHBondContact O-CD 3.47Å; A233-K237 WeakPolarHBondContact O-CE 3.23Å; A233-G320 WeakPolarHBondContact CB-O 3.49Å
234V95.9Very high94.9Very high3 Ų32.7 Ų2.72%0.0182%0.017CC..Iπ-helixtrans-123.8-46-167.5-1750000113.4T69 L72 L106 F110 V230 L236 K237 L238T69-V234 HydrophobicContact CG2-CB 4.35Å; T69-V234 HydrophobicContact CG2-CG1 3.45Å; T69-V234 VanDerWaalsContact CG2-CG1 3.45Å; T69-V234 HydrophobicContact CG2-CG2 3.88Å; L72-V234 HydrophobicContact CD2-CG2 4.05Å; L106-V234 HydrophobicContact CD1-CB 4.37Å; L106-V234 HydrophobicContact CD1-CG1 3.91Å; L106-V234 HydrophobicContact CD2-CG1 3.67Å; L106-V234 HydrophobicContact CG-CG1 4.29Å; F110-V234 HydrophobicContact CE2-CG1 3.63Å; F110-V234 HydrophobicContact CZ-CG1 3.83Å; V230-V234 PolarHBondContact O-N 3.18Å; V234-L236 VanDerWaalsContact C-N 3.32Å; V234-L236 PolarHBondContact O-N 3.41Å; V234-K237 WeakPolarHBondContact O-CA 3.38Å; V234-K237 WeakPolarHBondContact O-CB 3.5Å; V234-K237 PolarHBondContact O-N 3.49Å; V234-L238 PolarHBondContact O-N 3.32Å
235L95.3Very high94.7Very high3 Ų33.3 Ų3.32%0.0162%0.018CC..Iπ-helixtrans-67.1-33-169.7-67.7163.7000112.9L106 T129 V230 L231 K237 L238L106-L235 HydrophobicContact CD2-CD2 4.01Å; T129-L235 HydrophobicContact CG2-CD1 3.33Å; T129-L235 HydrophobicContact CG2-CD2 4.36Å; T129-L235 HydrophobicContact CG2-CG 4.5Å; V230-L235 HydrophobicContact CG1-CD1 4.12Å; V230-L235 HydrophobicContact CG1-CG 4.25Å; V230-L235 PolarHBondContact O-N 2.81Å; V230-L235 VanDerWaalsContact O-N 3.09Å; L231-L235 HydrophobicContact CB-CD1 4.44Å; L231-L235 HydrophobicContact CD2-CB 4.38Å; L231-L235 HydrophobicContact CD2-CD1 3.51Å; L231-L235 HydrophobicContact CG-CD1 3.94Å; L231-L235 PolarHBondContact O-N 3.06Å; L235-K237 PolarHBondContact O-N 2.89Å; L235-L238 HydrophobicContact CD2-CD1 3.76Å; L235-L238 WeakPolarHBondContact O-CB 3.34Å; L235-L238 PolarHBondContact O-N 3.17Å
236L93.2Very high94.5Very high0 Ų03.2 Ų3.20%02%0.018CC..Hα-helixtrans-64.6-32171.6-57.3177.8000111.9K206 M207 W215 L216 L231 V234 L238 G239 M294K206-L236 WeakPolarHBondContact O-CD2 3.2Å; M207-L236 WeakPolarHBondContact CG-O 3.3Å; W215-L236 HydrophobicContact CH2-CD2 3.85Å; W215-L236 HydrophobicContact CZ2-CD2 4.25Å; L216-L236 HydrophobicContact CD1-CD1 3.99Å; L216-L236 HydrophobicContact CD1-CD2 3.53Å; L216-L236 HydrophobicContact CD1-CG 4.41Å; L231-L236 WeakPolarHBondContact O-CG 3.41Å; L231-L236 PolarHBondContact O-N 3.26Å; V234-L236 VanDerWaalsContact C-N 3.32Å; V234-L236 PolarHBondContact O-N 3.41Å; L236-L238 VanDerWaalsContact C-N 3.34Å; L236-G239 PolarHBondContact O-N 3.18Å; L236-M294 HydrophobicContact CB-CG 4.28Å; L236-M294 HydrophobicContact CB-SD 4.17Å; L236-M294 HydrophobicContact CD1-CG 4.12Å
237K97.1Very high94.2Very high0 Ų04 Ų40%02%0.022CC..Hα-helixtrans-77.4-21.9-176.5-73.759167.5177.50112.1L65 A232 A233 V234 L235 G239 G240 Y241 M294 M316 H319L65-K237 HydrophobicContact CD2-CB 3.95Å; L65-K237 HydrophobicContact CD2-CG 4.2Å; A232-K237 PolarHBondContact O-NZ 3.49Å; A233-K237 WeakPolarHBondContact O-CD 3.47Å; A233-K237 WeakPolarHBondContact O-CE 3.23Å; V234-K237 WeakPolarHBondContact O-CA 3.38Å; V234-K237 WeakPolarHBondContact O-CB 3.5Å; V234-K237 PolarHBondContact O-N 3.49Å; L235-K237 PolarHBondContact O-N 2.89Å; K237-G239 PolarHBondContact O-N 3.48Å; K237-G240 PolarHBondContact O-N 2.73Å; K237-Y241 WeakPolarHBondContact O-CB 3.43Å; K237-Y241 PolarHBondContact O-N 3.35Å; K237-M294 HydrophobicContact CD-SD 4.22Å; K237-M316 HydrophobicContact CB-SD 4.17Å; K237-M316 WeakPolarHBondContact CE-O 3.21Å; K237-M316 HydrophobicContact CG-CB 3.74Å; K237-M316 HydrophobicContact CG-CG 3.88Å; K237-M316 HydrophobicContact CG-SD 4.02Å; K237-H319 PolarHBondContact NZ-CD2 3.22Å
238L95Very high93.7Very high0 Ų07.3 Ų7.30%04%0.038CC..Hα-helixtrans-57.6-35.8169.1-70.7173.7000111.7L106 T109 F110 F122 T125 V234 L235 L236 G242L106-L238 HydrophobicContact CD2-CD1 3.78Å; L106-L238 HydrophobicContact CD2-CD2 4.19Å; L106-L238 HydrophobicContact CD2-CG 4.2Å; T109-L238 HydrophobicContact CG2-CD2 4.34Å; T109-L238 VanDerWaalsContact OG1-CD2 3.29Å; T109-L238 WeakPolarHBondContact OG1-CD2 3.33Å; F110-L238 HydrophobicContact CD1-CD2 4.37Å; F110-L238 HydrophobicContact CE1-CD2 3.66Å; F110-L238 HydrophobicContact CE2-CD2 3.98Å; F110-L238 HydrophobicContact CZ-CD2 3.44Å; F110-L238 VanDerWaalsContact CZ-CD2 3.44Å; F110-L238 HydrophobicContact CZ-CG 4.08Å; F122-L238 HydrophobicContact CD2-CB 4.12Å; F122-L238 HydrophobicContact CD2-CD1 4.32Å; F122-L238 HydrophobicContact CE2-CB 4.15Å; T125-L238 HydrophobicContact CG2-CD1 4.19Å; V234-L238 PolarHBondContact O-N 3.32Å; L235-L238 HydrophobicContact CD2-CD1 3.76Å; L235-L238 WeakPolarHBondContact O-CB 3.34Å; L235-L238 PolarHBondContact O-N 3.17Å; L236-L238 VanDerWaalsContact C-N 3.34Å; L238-G242 PolarHBondContact O-N 2.97Å
239G94.6Very high93.5Very high0 Ų07.9 Ų7.90%04%0.041CC..Hα-helixtrans-60.2-53.3173.600000111.2F203 L236 K237 Y241 G242 M243F203-G239 WeakPolarHBondContact CB-O 3.07Å; L236-G239 PolarHBondContact O-N 3.18Å; K237-G239 PolarHBondContact O-N 3.48Å; G239-Y241 PolarHBondContact O-N 3.32Å; G239-G242 PolarHBondContact O-N 3.49Å; G239-M243 WeakPolarHBondContact O-CB 3.38Å; G239-M243 PolarHBondContact O-N 3.16Å
240G95.4Very high93.1Very high0 Ų08.1 Ų8.10%04%0.042CC..Hα-helixtrans-62.1-44.1179.800000113M207 K237 M243 M244M207-G240 WeakPolarHBondContact SD-CA 3.48Å; M207-G240 PolarHBondContact SD-N 3.49Å; K237-G240 PolarHBondContact O-N 2.73Å; G240-M243 PolarHBondContact O-N 2.93Å; G240-M244 WeakPolarHBondContact O-CG 3.37Å; G240-M244 PolarHBondContact O-N 3.17Å
241Y95.8Very high92.8Very high0 Ų010.4 Ų10.40%05%0.054CC..Hα-helixtrans-57.3-51.5175.2176.2-103.5000112.1L61 T62 L65 F110 F118 K237 G239 M243 M244 R245L61-Y241 HydrophobicContact CD2-CD2 3.59Å; L61-Y241 HydrophobicContact CD2-CE2 3.68Å; L61-Y241 HydrophobicContact CG-CD2 3.89Å; L61-Y241 HydrophobicContact CG-CE2 4.09Å; T62-Y241 HydrophobicContact CG2-CE2 3.68Å; L65-Y241 HydrophobicContact CD1-CD2 3.93Å; L65-Y241 HydrophobicContact CD1-CG 4.32Å; F110-Y241 AromaticContact CD1-CD1 3.87Å; F110-Y241 HydrophobicContact CD1-CD1 3.87Å; F110-Y241 AromaticContact CD1-CD2 3.99Å; F110-Y241 HydrophobicContact CD1-CD2 3.99Å; F110-Y241 HydrophobicContact CD1-CE1 4.25Å; F110-Y241 HydrophobicContact CD1-CE2 4.39Å; F110-Y241 AromaticContact CD1-CG 3.74Å; F110-Y241 HydrophobicContact CD1-CG 3.74Å; F110-Y241 HydrophobicContact CE1-CD1 4.21Å; F110-Y241 HydrophobicContact CE1-CD2 4.45Å; F110-Y241 AromaticContact CE1-CG 3.91Å; F110-Y241 HydrophobicContact CE1-CG 3.91Å; F110-Y241 PolarHBondContact O-OH 3.11Å; F110-Y241 VanDerWaalsContact O-OH 3.05Å; F118-Y241 HydrophobicContact CD2-CD1 4.31Å; F118-Y241 AromaticContact CD2-CE1 3.9Å; F118-Y241 HydrophobicContact CD2-CE1 3.9Å; F118-Y241 AromaticContact CE2-CD1 3.56Å; F118-Y241 HydrophobicContact CE2-CD1 3.56Å; F118-Y241 AromaticContact CE2-CE1 3.63Å; F118-Y241 HydrophobicContact CE2-CE1 3.63Å; F118-Y241 HydrophobicContact CZ-CD1 4.09Å; F118-Y241 HydrophobicContact CZ-CE1 4.41Å; K237-Y241 WeakPolarHBondContact O-CB 3.43Å; K237-Y241 PolarHBondContact O-N 3.35Å; G239-Y241 PolarHBondContact O-N 3.32Å; Y241-M243 VanDerWaalsContact C-N 3.32Å; Y241-M243 PolarHBondContact O-N 3.35Å; Y241-M244 PolarHBondContact O-N 3.04Å; Y241-R245 HydrophobicContact CE1-CG 4.14Å; Y241-R245 HydrophobicContact CE2-CG 4.11Å; Y241-R245 WeakPolarHBondContact O-CG 3.37Å; Y241-R245 PolarHBondContact O-N 2.76Å; Y241-R245 PolarHBondContact OH-NE 3.07Å; Y241-R245 PolarHBondContact OH-NH2 2.9Å
242G95.4Very high92.6Very high0 Ų012.7 Ų12.70%07%0.069CC..Hα-helixtrans-63.2-39.9179.600000112.4L238 G239 R245 L246L238-G242 PolarHBondContact O-N 2.97Å; G239-G242 PolarHBondContact O-N 3.49Å; G242-R245 PolarHBondContact O-N 2.88Å; G242-L246 WeakPolarHBondContact O-CG 3.32Å; G242-L246 PolarHBondContact O-N 3.22Å; G242-L246 VanDerWaalsContact O-N 3.09Å
243M94.6Very high92.6Very high5 Ų512.8 Ų12.83%0.0257%0.069CC..Hα-helixtrans-65.1-42178.6-143.4165.789.200111.6F203 M204 M207 G239 G240 Y241 R245 L246 T247 V298 I301 L302F203-M243 HydrophobicContact CB-CB 4.19Å; F203-M243 HydrophobicContact CB-CG 4.33Å; F203-M243 HydrophobicContact CB-SD 4.33Å; F203-M243 HydrophobicContact CG-CB 4.48Å; M204-M243 HydrophobicContact CE-CE 3.83Å; M204-M243 HydrophobicContact CE-SD 3.54Å; M204-M243 VanDerWaalsContact CE-SD 3.54Å; M204-M243 HydrophobicContact SD-CE 4.41Å; M204-M243 HydrophobicContact SD-SD 3.84Å; M207-M243 HydrophobicContact CE-CB 3.98Å; M207-M243 HydrophobicContact CE-CE 3.69Å; M207-M243 HydrophobicContact CE-CG 4.35Å; M207-M243 HydrophobicContact CE-SD 3.42Å; M207-M243 WeakPolarHBondContact CE-SD 3.31Å; G239-M243 WeakPolarHBondContact O-CB 3.38Å; G239-M243 PolarHBondContact O-N 3.16Å; G240-M243 PolarHBondContact O-N 2.93Å; Y241-M243 VanDerWaalsContact C-N 3.32Å; Y241-M243 PolarHBondContact O-N 3.35Å; M243-R245 PolarHBondContact O-N 3Å; M243-L246 PolarHBondContact O-N 3.47Å; M243-T247 WeakPolarHBondContact O-CG2 3.4Å; M243-T247 PolarHBondContact O-N 2.85Å; M243-V298 HydrophobicContact CE-CG1 4.44Å; M243-I301 HydrophobicContact CB-CG2 4.06Å; M243-I301 HydrophobicContact CE-CB 3.61Å; M243-I301 HydrophobicContact CE-CD1 4.27Å; M243-I301 HydrophobicContact CE-CG2 3.36Å; M243-I301 HydrophobicContact CG-CG2 4.09Å; M243-L302 HydrophobicContact CE-CD2 4.15Å; M243-L302 HydrophobicContact CE-CG 4.07Å
244M93.7Very high92.5Very high13 Ų1313 Ų136%0.0647%0.071CC..Hα-helixtrans-64.2-33.6173.4-72179.9-178.600113.4L61 G240 Y241 T247 I301 F309 A312 V313 M316L61-M244 HydrophobicContact CD1-SD 3.41Å; L61-M244 WeakPolarHBondContact CD1-SD 3.41Å; L61-M244 HydrophobicContact CD2-CB 4.1Å; L61-M244 HydrophobicContact CD2-SD 4.25Å; L61-M244 HydrophobicContact CG-SD 4.49Å; G240-M244 WeakPolarHBondContact O-CG 3.37Å; G240-M244 PolarHBondContact O-N 3.17Å; Y241-M244 PolarHBondContact O-N 3.04Å; M244-T247 PolarHBondContact O-OG1 2.88Å; M244-I301 HydrophobicContact CE-CD1 3.89Å; M244-I301 HydrophobicContact CE-CG1 3.6Å; M244-I301 HydrophobicContact CG-CD1 4.11Å; M244-I301 HydrophobicContact CG-CG1 3.98Å; M244-I301 HydrophobicContact CG-CG2 4.26Å; M244-F309 HydrophobicContact CE-CD1 4.14Å; M244-F309 HydrophobicContact CG-CD1 4.1Å; M244-F309 HydrophobicContact CG-CE1 4.18Å; M244-F309 HydrophobicContact SD-CD1 4.49Å; M244-A312 HydrophobicContact CE-CB 3.38Å; M244-V313 HydrophobicContact CE-CG2 3.84Å; M244-V313 HydrophobicContact SD-CG2 3.96Å; M244-M316 HydrophobicContact CE-CE 3.65Å; M244-M316 HydrophobicContact SD-CE 4.14Å
245R91.4Very high92.2Very high19 Ų1919.9 Ų19.97%0.07210%0.1CC..Hα-helixtrans-71.4-33.6176.2-70-57.7-166.7176.74.2112.9D59 L115 I176 Y241 G242 M243D59-R245 IonicContact OD2-CZ 2.99Å; D59-R245 IonicContact OD2-NH1 3.16Å; D59-R245 PolarHBondContact OD2-NH1 3.11Å; D59-R245 IonicContact OD2-NH2 2.88Å; D59-R245 PolarHBondContact OD2-NH2 3.38Å; L115-R245 HydrophobicContact CD2-CB 4.48Å; I176-R245 HydrophobicContact CD1-CG 4.37Å; Y241-R245 HydrophobicContact CE1-CG 4.14Å; Y241-R245 HydrophobicContact CE2-CG 4.11Å; Y241-R245 WeakPolarHBondContact O-CG 3.37Å; Y241-R245 PolarHBondContact O-N 2.76Å; Y241-R245 PolarHBondContact OH-NE 3.07Å; Y241-R245 PolarHBondContact OH-NH2 2.9Å; G242-R245 PolarHBondContact O-N 2.88Å; M243-R245 PolarHBondContact O-N 3Å
246L90.5Very high92Very high4 Ų426 Ų262%0.02113%0.128CC..Hα-helixtrans-86.8-13-177.5-68176000114L115 L160 Y199 F203 G242 M243 L248 I249 L250L115-L246 HydrophobicContact CD1-CD2 3.73Å; L115-L246 HydrophobicContact CD2-CD2 4.14Å; L160-L246 HydrophobicContact CD1-CD1 4.07Å; Y199-L246 HydrophobicContact CD1-CD1 4.05Å; Y199-L246 HydrophobicContact CD1-CD2 4.26Å; F203-L246 HydrophobicContact CD2-CD1 4.02Å; F203-L246 HydrophobicContact CE2-CD1 3.16Å; F203-L246 HydrophobicContact CE2-CG 4.39Å; F203-L246 HydrophobicContact CZ-CD1 3.81Å; G242-L246 WeakPolarHBondContact O-CG 3.32Å; G242-L246 PolarHBondContact O-N 3.22Å; G242-L246 VanDerWaalsContact O-N 3.09Å; M243-L246 PolarHBondContact O-N 3.47Å; L246-L248 PolarHBondContact O-N 2.66Å; L246-L248 VanDerWaalsContact O-N 3.08Å; L246-I249 HydrophobicContact CD2-CD1 3.96Å; L246-I249 PolarHBondContact O-N 3.03Å; L246-L250 HydrophobicContact CB-CD1 4.15Å; L246-L250 VanDerWaalsContact O-CG 3.3Å; L246-L250 WeakPolarHBondContact O-CG 3.3Å; L246-L250 PolarHBondContact O-N 2.74Å
247T86.8Confident92.1Very high15 Ų1527.7 Ų27.79%0.09214%0.137CC..Hα-helixtrans-55.8-30.8178.655.10000112.8M243 M244 I249 L250 N251 I301 Q304 F309M243-T247 WeakPolarHBondContact O-CG2 3.4Å; M243-T247 PolarHBondContact O-N 2.85Å; M244-T247 PolarHBondContact O-OG1 2.88Å; T247-I249 VanDerWaalsContact C-N 3.33Å; T247-I249 PolarHBondContact O-N 3.25Å; T247-L250 PolarHBondContact O-N 2.95Å; T247-N251 PolarHBondContact O-N 3.48Å; T247-N251 PolarHBondContact O-ND2 3.05Å; T247-N251 PolarHBondContact O-OD1 3.22Å; T247-I301 HydrophobicContact CG2-CG2 4.34Å; T247-Q304 HydrophobicContact CG2-CG 4.28Å; T247-F309 HydrophobicContact CG2-CE1 4.37Å; T247-F309 HydrophobicContact CG2-CZ 4.07Å
248L85.4Confident92Very high78 Ų7827.9 Ų27.941%0.40814%0.139SC..Hα-helixtrans-59.5-40.8175.9-70.3163.3000112.7T180 L246T180-L248 HydrophobicContact CG2-CD1 3.73Å; L246-L248 PolarHBondContact O-N 2.66Å; L246-L248 VanDerWaalsContact O-N 3.08Å
249I88.8Confident92Very high11 Ų1133.9 Ų33.96%0.05616%0.162CC..Hα-helixtrans-78.8-31.9-179.7-58.6175.1000110.7L115 T167 L179 L186 Y199 L246 T247 N251L115-I249 HydrophobicContact CD1-CD1 3.74Å; T167-I249 HydrophobicContact CG2-CG2 4.44Å; L179-I249 HydrophobicContact CD1-CD1 4.03Å; L179-I249 HydrophobicContact CD2-CD1 4.23Å; L179-I249 HydrophobicContact CD2-CG1 4.38Å; L186-I249 VanDerWaalsContact CD1-O 3.27Å; L186-I249 WeakPolarHBondContact CD1-O 3.33Å; L186-I249 WeakPolarHBondContact CG-O 3.5Å; Y199-I249 HydrophobicContact CE2-CG2 4.34Å; L246-I249 HydrophobicContact CD2-CD1 3.96Å; L246-I249 PolarHBondContact O-N 3.03Å; T247-I249 VanDerWaalsContact C-N 3.33Å; T247-I249 PolarHBondContact O-N 3.25Å; I249-N251 PolarHBondContact O-N 2.98Å
250L90.3Very high92Very high5 Ų537.6 Ų37.63%0.02619%0.186CC..Hα-helixtrans-82.8-10.3-168.5-63.6172000114.3L186 W196 Y199 T200 L246 T247 L253 T254L186-L250 HydrophobicContact CD1-CD2 4.41Å; W196-L250 HydrophobicContact CB-CD2 4.32Å; W196-L250 HydrophobicContact CG-CD2 4.1Å; Y199-L250 HydrophobicContact CD2-CD2 3.54Å; Y199-L250 HydrophobicContact CE2-CD2 4.49Å; Y199-L250 HydrophobicContact CG-CD2 3.96Å; T200-L250 HydrophobicContact CG2-CD1 3.74Å; L246-L250 HydrophobicContact CB-CD1 4.15Å; L246-L250 VanDerWaalsContact O-CG 3.3Å; L246-L250 WeakPolarHBondContact O-CG 3.3Å; L246-L250 PolarHBondContact O-N 2.74Å; T247-L250 PolarHBondContact O-N 2.95Å; L250-L253 PolarHBondContact O-N 3.32Å; L250-T254 HydrophobicContact CB-CG2 3.44Å; L250-T254 VanDerWaalsContact CB-CG2 3.44Å; L250-T254 WeakPolarHBondContact O-CG2 3.07Å; L250-T254 PolarHBondContact O-N 2.83Å
251N89Confident92.1Very high61 Ų6138.7 Ų38.733%0.32619%0.191SC..THydrogen-bonded Turntrans-80.1147.7-177.6-72.8-9000111.9L186 T247 I249 T254 Q304L186-N251 PolarHBondContact N-O 3.27Å; L186-N251 VanDerWaalsContact N-O 3.14Å; T247-N251 PolarHBondContact O-N 3.48Å; T247-N251 PolarHBondContact O-ND2 3.05Å; T247-N251 PolarHBondContact O-OD1 3.22Å; I249-N251 PolarHBondContact O-N 2.98Å; N251-T254 PolarHBondContact OD1-OG1 2.85Å; N251-Q304 PolarHBondContact OD1-NE2 3.5Å; N251-Q304 PolarHBondContact OD1-OE1 2.79Å
252P90.6Very high92.1Very high49 Ų4939 Ų3932%0.31819%0.192SC..THydrogen-bonded Turncis-870.7-2.834.7-36.9000115.1T254 K255P252-T254 PolarHBondContact O-N 3.25Å; P252-T254 VanDerWaalsContact O-N 3.13Å; P252-K255 WeakPolarHBondContact O-CB 3.48Å; P252-K255 PolarHBondContact O-N 3.11Å; P252-K255 VanDerWaalsContact O-N 3.07Å
253L92.1Very high92.2Very high3 Ų343.6 Ų43.62%0.01622%0.22CC..THydrogen-bonded Turntrans-56.8-31-173.6-161.896.4000113.8L186 S187 N188 N192 N193 W196 L250 K255 H256 M257L186-L253 HydrophobicContact CB-CB 4.12Å; S187-L253 WeakPolarHBondContact O-CD1 3.45Å; N188-L253 HydrophobicContact CB-CD1 4.45Å; N192-L253 HydrophobicContact CB-CD1 4.32Å; N192-L253 WeakPolarHBondContact O-CD2 3.42Å; N193-L253 WeakPolarHBondContact OD1-CD1 3.43Å; W196-L253 HydrophobicContact CB-CD2 3.47Å; W196-L253 VanDerWaalsContact CB-CD2 3.47Å; W196-L253 HydrophobicContact CG-CD2 3.8Å; L250-L253 PolarHBondContact O-N 3.32Å; L253-K255 PolarHBondContact O-N 2.9Å; L253-K255 VanDerWaalsContact O-N 3.14Å; L253-H256 PolarHBondContact O-N 3.13Å; L253-M257 HydrophobicContact CD2-CG 3.71Å; L253-M257 HydrophobicContact CG-CG 3.96Å; L253-M257 PolarHBondContact O-N 3.17Å
254T92.1Very high92.3Very high4 Ų446.7 Ų46.73%0.02524%0.237CC..Hα-helixtrans-46.3-39.2173480000113.1W196 L250 N251 P252 H256 M257 A258 Q304W196-T254 VanDerWaalsContact NE1-CG2 3.26Å; L250-T254 HydrophobicContact CB-CG2 3.44Å; L250-T254 VanDerWaalsContact CB-CG2 3.44Å; L250-T254 WeakPolarHBondContact O-CG2 3.07Å; L250-T254 PolarHBondContact O-N 2.83Å; N251-T254 PolarHBondContact OD1-OG1 2.85Å; P252-T254 PolarHBondContact O-N 3.25Å; P252-T254 VanDerWaalsContact O-N 3.13Å; T254-H256 PolarHBondContact O-N 3.16Å; T254-H256 VanDerWaalsContact O-N 3.16Å; T254-M257 PolarHBondContact O-N 3.27Å; T254-A258 WeakPolarHBondContact O-CB 3.4Å; T254-A258 PolarHBondContact O-N 3.48Å; T254-Q304 VanDerWaalsContact CG2-NE2 3.33Å; T254-Q304 PolarHBondContact OG1-OE1 3.05Å
255K89.3Confident92.4Very high147 Ų14746.1 Ų46.164%0.63923%0.234SC*.Hα-helixtrans-59.2-29.8-179-66-179.5-179.2176.40113P252 L253 Y259P252-K255 WeakPolarHBondContact O-CB 3.48Å; P252-K255 PolarHBondContact O-N 3.11Å; P252-K255 VanDerWaalsContact O-N 3.07Å; L253-K255 PolarHBondContact O-N 2.9Å; L253-K255 VanDerWaalsContact O-N 3.14Å; K255-Y259 WeakPolarHBondContact O-CE2 3.25Å
256H91.2Very high92.7Very high131 Ų13145.8 Ų45.861%0.60623%0.233SC*.Hα-helixtrans-98.6-38.3178.4-61.6-60.5000112.3L253 T254 Y259L253-H256 PolarHBondContact O-N 3.13Å; T254-H256 PolarHBondContact O-N 3.16Å; T254-H256 VanDerWaalsContact O-N 3.16Å; H256-Y259 WeakPolarHBondContact O-CD2 3.46Å
257M94.5Very high93Very high37 Ų3752.1 Ų52.118%0.18226%0.257CS..Hα-helixtrans-78.9-19.8-176-68-62.3-71.500113.9N193 W196 L197 L253 T254 Y259 P260N193-M257 HydrophobicContact CB-CE 3.95Å; N193-M257 HydrophobicContact CB-SD 4.1Å; W196-M257 HydrophobicContact CD2-CB 3.59Å; W196-M257 HydrophobicContact CD2-CG 4.15Å; W196-M257 HydrophobicContact CE3-CB 3.72Å; W196-M257 HydrophobicContact CE3-CE 4.03Å; W196-M257 HydrophobicContact CE3-CG 4.33Å; W196-M257 HydrophobicContact CG-CB 4.18Å; W196-M257 HydrophobicContact CG-CG 4.3Å; W196-M257 HydrophobicContact CH2-CB 4.02Å; W196-M257 HydrophobicContact CZ2-CB 3.87Å; W196-M257 HydrophobicContact CZ3-CB 3.95Å; L197-M257 HydrophobicContact CD1-CE 4.36Å; L197-M257 HydrophobicContact CG-CE 4.15Å; L253-M257 HydrophobicContact CD2-CG 3.71Å; L253-M257 HydrophobicContact CG-CG 3.96Å; L253-M257 PolarHBondContact O-N 3.17Å; T254-M257 PolarHBondContact O-N 3.27Å; M257-Y259 VanDerWaalsContact C-N 3.34Å; M257-Y259 PolarHBondContact O-N 2.63Å; M257-P260 WeakPolarHBondContact O-CD 3.3Å
258A94.8Very high93.5Very high4 Ų451.4 Ų51.43%0.03325%0.253CS..Hα-helixtrans-69.5-25.8-177.300000114.3T254 F261 L262 L302T254-A258 WeakPolarHBondContact O-CB 3.4Å; T254-A258 PolarHBondContact O-N 3.48Å; A258-F261 PolarHBondContact O-N 3.32Å; A258-F261 VanDerWaalsContact O-N 3.11Å; A258-L262 HydrophobicContact CB-CD1 3.97Å; A258-L262 HydrophobicContact CB-CG 4.38Å; A258-L262 WeakPolarHBondContact O-CG 3.31Å; A258-L262 PolarHBondContact O-N 3.46Å; A258-L302 HydrophobicContact CB-CB 4.21Å; A258-L302 HydrophobicContact CB-CD2 4.1Å
259Y95Very high94Very high126 Ų12647.7 Ų47.749%0.49423%0.234SC..Hα-helixtrans-54.1-49.2-170.1-75.7-80.4000114.9K255 H256 M257 F261 L262 V263 W388K255-Y259 WeakPolarHBondContact O-CE2 3.25Å; H256-Y259 WeakPolarHBondContact O-CD2 3.46Å; M257-Y259 VanDerWaalsContact C-N 3.34Å; M257-Y259 PolarHBondContact O-N 2.63Å; Y259-F261 VanDerWaalsContact C-N 3.28Å; Y259-F261 PolarHBondContact O-N 3.04Å; Y259-L262 PolarHBondContact O-N 3.35Å; Y259-V263 WeakPolarHBondContact O-CG2 3.34Å; Y259-V263 PolarHBondContact O-N 3.38Å; Y259-W388 HydrophobicContact CD1-CH2 4.15Å; Y259-W388 AromaticContact CD1-CZ2 3.94Å; Y259-W388 HydrophobicContact CD1-CZ2 3.94Å; Y259-W388 AromaticContact CE1-CH2 3.96Å; Y259-W388 HydrophobicContact CE1-CH2 3.96Å; Y259-W388 AromaticContact CE1-CZ2 3.51Å; Y259-W388 HydrophobicContact CE1-CZ2 3.51Å
260P96.1Very high94.4Very high78 Ų7848.1 Ų48.151%0.50624%0.236SC..Hα-helixtrans-61-39.2179.4-22.834.7000112.4M257 V263 L264M257-P260 WeakPolarHBondContact O-CD 3.3Å; P260-V263 PolarHBondContact O-N 3.11Å; P260-L264 WeakPolarHBondContact O-CB 3.19Å; P260-L264 VanDerWaalsContact O-CG 3.3Å; P260-L264 WeakPolarHBondContact O-CG 3.36Å; P260-L264 PolarHBondContact O-N 3.45Å
261F96.4Very high94.8Very high23 Ų2350.6 Ų50.610%0.10125%0.248CC..Hα-helixtrans-73.7-34.4-179.4-61.4-81.4000112.3W196 L197 M201 M204 L209 A258 Y259 L264 S265 L302W196-F261 AromaticContact CH2-CD2 3.61Å; W196-F261 HydrophobicContact CH2-CD2 3.61Å; W196-F261 AromaticContact CH2-CE2 3.76Å; W196-F261 HydrophobicContact CH2-CE2 3.76Å; W196-F261 HydrophobicContact CH2-CG 4.47Å; W196-F261 AromaticContact CZ3-CD2 3.78Å; W196-F261 HydrophobicContact CZ3-CD2 3.78Å; W196-F261 AromaticContact CZ3-CE2 3.39Å; W196-F261 HydrophobicContact CZ3-CE2 3.39Å; W196-F261 HydrophobicContact CZ3-CZ 4.15Å; L197-F261 HydrophobicContact CD2-CE2 4Å; L197-F261 HydrophobicContact CD2-CZ 3.69Å; M201-F261 HydrophobicContact SD-CE1 4.06Å; M201-F261 HydrophobicContact SD-CZ 4.22Å; M204-F261 HydrophobicContact CE-CB 4.19Å; M204-F261 HydrophobicContact CE-CD1 4.3Å; M204-F261 HydrophobicContact CE-CG 4.27Å; M204-F261 HydrophobicContact CG-CD1 4.49Å; L209-F261 HydrophobicContact CD1-CD1 4.44Å; L209-F261 HydrophobicContact CD2-CD1 3.54Å; L209-F261 HydrophobicContact CD2-CE1 3.96Å; A258-F261 PolarHBondContact O-N 3.32Å; A258-F261 VanDerWaalsContact O-N 3.11Å; Y259-F261 VanDerWaalsContact C-N 3.28Å; Y259-F261 PolarHBondContact O-N 3.04Å; F261-L264 PolarHBondContact O-N 3Å; F261-S265 WeakPolarHBondContact O-CB 3.41Å; F261-S265 PolarHBondContact O-N 3.29Å; F261-S265 PolarHBondContact O-OG 3.33Å; F261-L302 HydrophobicContact CB-CD1 3.64Å
262L96.1Very high95.2Very high5 Ų547.7 Ų47.73%0.02623%0.232CC..Hα-helixtrans-62.1-46.5170.9-77.9167.8000111.1A258 Y259 S265 L266 T299 L302 I303 W388A258-L262 HydrophobicContact CB-CD1 3.97Å; A258-L262 HydrophobicContact CB-CG 4.38Å; A258-L262 WeakPolarHBondContact O-CG 3.31Å; A258-L262 PolarHBondContact O-N 3.46Å; Y259-L262 PolarHBondContact O-N 3.35Å; L262-S265 WeakPolarHBondContact CA-OG 3.34Å; L262-S265 PolarHBondContact O-N 3.06Å; L262-S265 PolarHBondContact O-OG 3.09Å; L262-L266 WeakPolarHBondContact O-CB 3.22Å; L262-L266 VanDerWaalsContact O-CG 3.3Å; L262-L266 WeakPolarHBondContact O-CG 3.38Å; L262-L266 PolarHBondContact O-N 3.11Å; L262-T299 HydrophobicContact CD2-CG2 4.36Å; L262-L302 HydrophobicContact CD2-CB 3.79Å; L262-L302 HydrophobicContact CD2-CD1 4.19Å; L262-L302 HydrophobicContact CG-CB 4.05Å; L262-L302 HydrophobicContact CG-CD1 4.04Å; L262-I303 HydrophobicContact CD2-CD1 4.48Å; L262-I303 HydrophobicContact CD2-CG1 4.11Å; L262-W388 HydrophobicContact CD1-CH2 4.16Å; L262-W388 HydrophobicContact CD1-CZ2 3.7Å
263V96.4Very high95.5Very high97 Ų9745.4 Ų45.459%0.58822%0.217SC*.Hα-helixtrans-63.2-45.3176.8175.10000111Y259 P260 S265 L266 W267Y259-V263 WeakPolarHBondContact O-CG2 3.34Å; Y259-V263 PolarHBondContact O-N 3.38Å; P260-V263 PolarHBondContact O-N 3.11Å; V263-S265 VanDerWaalsContact C-N 3.32Å; V263-S265 PolarHBondContact O-N 2.91Å; V263-L266 PolarHBondContact O-N 2.96Å; V263-W267 VanDerWaalsContact O-CB 3.29Å; V263-W267 WeakPolarHBondContact O-CB 3.21Å; V263-W267 PolarHBondContact O-N 3.47Å
264L97.1Very high95.7Very high71 Ų7147.3 Ų47.337%0.37223%0.231SC..Hα-helixtrans-60.8-39177.7-76.8167.3000112.6L209 Y210 P260 F261 G268L209-L264 HydrophobicContact CD1-CB 4.29Å; L209-L264 HydrophobicContact CD2-CB 4.44Å; L209-L264 HydrophobicContact CD2-CD1 3.93Å; L209-L264 HydrophobicContact CG-CB 4.39Å; Y210-L264 WeakPolarHBondContact CB-O 3.48Å; Y210-L264 HydrophobicContact CD1-CD2 4.46Å; P260-L264 WeakPolarHBondContact O-CB 3.19Å; P260-L264 VanDerWaalsContact O-CG 3.3Å; P260-L264 WeakPolarHBondContact O-CG 3.36Å; P260-L264 PolarHBondContact O-N 3.45Å; F261-L264 PolarHBondContact O-N 3Å; L264-G268 VanDerWaalsContact O-CA 3.24Å; L264-G268 WeakPolarHBondContact O-CA 3.29Å; L264-G268 PolarHBondContact O-N 3.33Å
265S96.6Very high96Very high0 Ų049.3 Ų49.30%024%0.241CC..Hα-helixtrans-75.4-43.5179.349.20000112.6F261 L262 V263 G268 M269 T299F261-S265 WeakPolarHBondContact O-CB 3.41Å; F261-S265 PolarHBondContact O-N 3.29Å; F261-S265 PolarHBondContact O-OG 3.33Å; L262-S265 WeakPolarHBondContact CA-OG 3.34Å; L262-S265 PolarHBondContact O-N 3.06Å; L262-S265 PolarHBondContact O-OG 3.09Å; V263-S265 VanDerWaalsContact C-N 3.32Å; V263-S265 PolarHBondContact O-N 2.91Å; S265-G268 PolarHBondContact O-N 3.45Å; S265-M269 PolarHBondContact O-N 3Å; S265-T299 WeakPolarHBondContact OG-CG2 3.47Å
266L96.6Very high96.4Very high12 Ų1242.3 Ų42.36%0.06321%0.211CC..Hα-helixtrans-64.4-41.3175.9-72.2167.1000113.1L262 V263 M269 T299 T392 L395 T396L262-L266 WeakPolarHBondContact O-CB 3.22Å; L262-L266 VanDerWaalsContact O-CG 3.3Å; L262-L266 WeakPolarHBondContact O-CG 3.38Å; L262-L266 PolarHBondContact O-N 3.11Å; V263-L266 PolarHBondContact O-N 2.96Å; L266-M269 HydrophobicContact CD2-CE 3.93Å; L266-M269 HydrophobicContact CD2-SD 4.37Å; L266-M269 WeakPolarHBondContact O-CG 3.49Å; L266-T299 HydrophobicContact CD2-CG2 3.9Å; L266-T299 HydrophobicContact CG-CG2 3.82Å; L266-T392 HydrophobicContact CD1-CG2 3.66Å; L266-T392 HydrophobicContact CD2-CG2 4.32Å; L266-L395 HydrophobicContact CB-CD1 4.08Å; L266-L395 HydrophobicContact CD1-CD1 4.47Å; L266-T396 HydrophobicContact CD2-CG2 4.31Å
267W97.7Very high96.7Very high137 Ų13739 Ų3952%0.51920%0.197SC..Hα-helixtrans-72.9-40.6173.1-174.5-111.6000111.2V263 M269 I270 M271V263-W267 VanDerWaalsContact O-CB 3.29Å; V263-W267 WeakPolarHBondContact O-CB 3.21Å; V263-W267 PolarHBondContact O-N 3.47Å; W267-M269 PolarHBondContact O-N 3.1Å; W267-I270 PolarHBondContact O-N 3.5Å; W267-M271 HydrophobicContact CD2-CG 4.27Å; W267-M271 HydrophobicContact CG-CG 4.28Å; W267-M271 HydrophobicContact CH2-SD 4.48Å; W267-M271 HydrophobicContact CZ2-CG 4.23Å; W267-M271 HydrophobicContact CZ2-SD 3.66Å; W267-M271 VanDerWaalsContact NE1-CG 3.34Å; W267-M271 WeakPolarHBondContact O-CG 3.13Å; W267-M271 PolarHBondContact O-N 2.84Å
268G96.7Very high96.8Very high1 Ų147.6 Ų47.61%0.0123%0.227CC..Hα-helixtrans-60.3-38.7-179.200000114.3Y210 L264 S265 I270 M271 T272Y210-G268 VanDerWaalsContact CG-CA 3.46Å; L264-G268 VanDerWaalsContact O-CA 3.24Å; L264-G268 WeakPolarHBondContact O-CA 3.29Å; L264-G268 PolarHBondContact O-N 3.33Å; S265-G268 PolarHBondContact O-N 3.45Å; G268-I270 VanDerWaalsContact C-N 3.33Å; G268-I270 PolarHBondContact O-N 3.3Å; G268-M271 PolarHBondContact O-N 3.11Å; G268-T272 WeakPolarHBondContact O-CB 3.08Å; G268-T272 WeakPolarHBondContact O-CG2 3.39Å; G268-T272 PolarHBondContact O-N 3.05Å; G268-T272 PolarHBondContact O-OG1 3.43Å
269M96.3Very high96.9Very high0 Ų049.1 Ų49.10%023%0.234CC..Hα-helixtrans-62.2-39.8176.562.5179.26700111.9S265 L266 W267 T272 S273 A295 L296 T299 T396 N399S265-M269 PolarHBondContact O-N 3Å; L266-M269 HydrophobicContact CD2-CE 3.93Å; L266-M269 HydrophobicContact CD2-SD 4.37Å; L266-M269 WeakPolarHBondContact O-CG 3.49Å; W267-M269 PolarHBondContact O-N 3.1Å; M269-T272 PolarHBondContact O-OG1 2.99Å; M269-S273 VanDerWaalsContact O-CB 3.24Å; M269-S273 WeakPolarHBondContact O-CB 3.33Å; M269-S273 PolarHBondContact O-N 2.73Å; M269-S273 PolarHBondContact O-OG 2.96Å; M269-A295 HydrophobicContact CB-CB 3.96Å; M269-A295 HydrophobicContact CE-CB 4.46Å; M269-L296 HydrophobicContact CE-CD2 3.58Å; M269-L296 HydrophobicContact CE-CG 3.89Å; M269-L296 HydrophobicContact SD-CD2 3.8Å; M269-L296 HydrophobicContact SD-CG 4.26Å; M269-T299 HydrophobicContact CE-CG2 3.89Å; M269-T396 HydrophobicContact SD-CG2 4.49Å; M269-N399 HydrophobicContact CG-CB 4.2Å; M269-N399 PolarHBondContact O-OD1 3.25Å; M269-N399 HydrophobicContact SD-CB 4.03Å
270I97.8Very high96.9Very high20 Ų2047 Ų4710%0.10323%0.234CC..Hα-helixtrans-69.4-45.9176.9-62171.2000110.3W267 G268 S273 S274 L395 I402W267-I270 PolarHBondContact O-N 3.5Å; G268-I270 VanDerWaalsContact C-N 3.33Å; G268-I270 PolarHBondContact O-N 3.3Å; I270-S273 WeakPolarHBondContact CA-OG 3.06Å; I270-S273 PolarHBondContact O-OG 2.87Å; I270-S274 WeakPolarHBondContact O-CB 3.43Å; I270-S274 PolarHBondContact O-N 3.09Å; I270-L395 HydrophobicContact CD1-CB 4.06Å; I270-L395 HydrophobicContact CD1-CD2 3.5Å; I270-L395 HydrophobicContact CD1-CG 4.38Å; I270-I402 HydrophobicContact CG2-CD1 3.94Å
271M97.9Very high96.9Very high57 Ų5745.3 Ų45.328%0.28122%0.221SC..Hα-helixtrans-65.1-44.9-178.4-67.7-56.1-64.900111.6Y210 W267 G268 S274 I275Y210-M271 HydrophobicContact CE2-CB 3.83Å; W267-M271 HydrophobicContact CD2-CG 4.27Å; W267-M271 HydrophobicContact CG-CG 4.28Å; W267-M271 HydrophobicContact CH2-SD 4.48Å; W267-M271 HydrophobicContact CZ2-CG 4.23Å; W267-M271 HydrophobicContact CZ2-SD 3.66Å; W267-M271 VanDerWaalsContact NE1-CG 3.34Å; W267-M271 WeakPolarHBondContact O-CG 3.13Å; W267-M271 PolarHBondContact O-N 2.84Å; G268-M271 PolarHBondContact O-N 3.11Å; M271-S274 PolarHBondContact O-N 2.87Å; M271-S274 PolarHBondContact O-OG 3.5Å; M271-I275 VanDerWaalsContact O-CG1 3.29Å; M271-I275 WeakPolarHBondContact O-CG1 3.3Å; M271-I275 PolarHBondContact O-N 3.27Å
272T97.3Very high96.9Very high0 Ų044.6 Ų44.60%022%0.218CC..Hα-helixtrans-69.5-37.5179.753.20000112.7Y210 G268 M269 S274 I275 C276 Y288 I291 S292Y210-T272 HydrophobicContact CD2-CG2 3.93Å; Y210-T272 HydrophobicContact CE2-CG2 4.18Å; G268-T272 WeakPolarHBondContact O-CB 3.08Å; G268-T272 WeakPolarHBondContact O-CG2 3.39Å; G268-T272 PolarHBondContact O-N 3.05Å; G268-T272 PolarHBondContact O-OG1 3.43Å; M269-T272 PolarHBondContact O-OG1 2.99Å; T272-S274 VanDerWaalsContact C-N 3.35Å; T272-I275 WeakPolarHBondContact O-CB 3.47Å; T272-I275 PolarHBondContact O-N 3.15Å; T272-C276 PolarHBondContact O-N 3.06Å; T272-C276 VanDerWaalsContact O-N 3.12Å; T272-C276 PolarHBondContact O-SG 2.74Å; T272-Y288 HydrophobicContact CG2-CD1 4.41Å; T272-I291 HydrophobicContact CG2-CB 4.27Å; T272-I291 HydrophobicContact CG2-CG2 3.77Å; T272-S292 WeakPolarHBondContact OG1-CA 3.21Å; T272-S292 WeakPolarHBondContact OG1-CB 3.46Å
273S97.1Very high96.9Very high0 Ų045 Ų450%022%0.219CC..Hα-helixtrans-65.9-36.5172.260.40000112.2M269 I270 I275 C276 N399 I402M269-S273 VanDerWaalsContact O-CB 3.24Å; M269-S273 WeakPolarHBondContact O-CB 3.33Å; M269-S273 PolarHBondContact O-N 2.73Å; M269-S273 PolarHBondContact O-OG 2.96Å; I270-S273 WeakPolarHBondContact CA-OG 3.06Å; I270-S273 PolarHBondContact O-OG 2.87Å; S273-I275 VanDerWaalsContact C-N 3.32Å; S273-I275 PolarHBondContact O-N 3.47Å; S273-C276 VanDerWaalsContact O-CB 3.29Å; S273-C276 WeakPolarHBondContact O-CB 3.44Å; S273-C276 PolarHBondContact O-N 2.99Å; S273-N399 PolarHBondContact OG-OD1 3.12Å; S273-I402 VanDerWaalsContact C-CG2 3.49Å; S273-I402 WeakPolarHBondContact O-CG2 3.38Å; S273-I402 WeakPolarHBondContact OG-CG2 3.39Å
274S97.6Very high96.8Very high43 Ų4340.8 Ų40.830%0.30119%0.194SC..Hα-helixtrans-66-34.5173800000112.6I270 M271 T272 C276 L277I270-S274 WeakPolarHBondContact O-CB 3.43Å; I270-S274 PolarHBondContact O-N 3.09Å; M271-S274 PolarHBondContact O-N 2.87Å; M271-S274 PolarHBondContact O-OG 3.5Å; T272-S274 VanDerWaalsContact C-N 3.35Å; S274-C276 VanDerWaalsContact C-N 3.31Å; S274-C276 PolarHBondContact O-N 3.06Å; S274-L277 PolarHBondContact O-N 3Å
275I97.9Very high96.9Very high47 Ų4737.4 Ų37.424%0.24118%0.177CC..Hα-helixtrans-61.9-42173.4-72.3166.3000109.6M271 T272 S273 L277 R278 Q279 Y288M271-I275 VanDerWaalsContact O-CG1 3.29Å; M271-I275 WeakPolarHBondContact O-CG1 3.3Å; M271-I275 PolarHBondContact O-N 3.27Å; T272-I275 WeakPolarHBondContact O-CB 3.47Å; T272-I275 PolarHBondContact O-N 3.15Å; S273-I275 VanDerWaalsContact C-N 3.32Å; S273-I275 PolarHBondContact O-N 3.47Å; I275-L277 PolarHBondContact O-N 3.39Å; I275-R278 PolarHBondContact O-N 3.37Å; I275-Q279 HydrophobicContact CG2-CG 4.18Å; I275-Q279 WeakPolarHBondContact O-CG 3.2Å; I275-Q279 PolarHBondContact O-N 2.8Å; I275-Y288 HydrophobicContact CD1-CE1 4.27Å; I275-Y288 HydrophobicContact CG2-CD1 3.94Å; I275-Y288 HydrophobicContact CG2-CD2 3.82Å; I275-Y288 HydrophobicContact CG2-CE1 4.03Å; I275-Y288 HydrophobicContact CG2-CE2 3.92Å; I275-Y288 HydrophobicContact CG2-CG 3.83Å
276C97.6Very high96.9Very high0 Ų037.4 Ų37.40%018%0.177CC..Hα-helixtrans-54.7-36178.1-64.60000113.3T272 S273 S274 R278 Q279 L285 Y288 S289 Y406T272-C276 PolarHBondContact O-N 3.06Å; T272-C276 VanDerWaalsContact O-N 3.12Å; T272-C276 PolarHBondContact O-SG 2.74Å; S273-C276 VanDerWaalsContact O-CB 3.29Å; S273-C276 WeakPolarHBondContact O-CB 3.44Å; S273-C276 PolarHBondContact O-N 2.99Å; S274-C276 VanDerWaalsContact C-N 3.31Å; S274-C276 PolarHBondContact O-N 3.06Å; C276-R278 PolarHBondContact O-N 3.5Å; C276-Q279 PolarHBondContact O-N 3.42Å; C276-L285 HydrophobicContact CB-CG 4.16Å; C276-L285 WeakPolarHBondContact O-CD1 3.24Å; C276-Y288 WeakPolarHBondContact SG-CB 3.23Å; C276-S289 PolarHBondContact SG-N 2.84Å; C276-S289 VanDerWaalsContact SG-N 3.42Å; C276-Y406 HydrophobicContact CB-CD1 3.71Å; C276-Y406 HydrophobicContact CB-CD2 4.14Å; C276-Y406 HydrophobicContact CB-CE1 4.37Å; C276-Y406 HydrophobicContact CB-CG 3.6Å
277L96.7Very high96.9Very high61 Ų6136.8 Ų36.832%0.31917%0.174SC..Hα-helixtrans-63.4-24.8178.5-68.2173.2000113.4S274 I275 I402 L405S274-L277 PolarHBondContact O-N 3Å; I275-L277 PolarHBondContact O-N 3.39Å; L277-I402 HydrophobicContact CD1-CG2 4.01Å; L277-I402 HydrophobicContact CG-CG2 4.35Å; L277-L405 HydrophobicContact CD2-CB 3.81Å
278R96.8Very high96.9Very high217 Ų21732.1 Ų32.182%0.81916%0.156SC*.THydrogen-bonded Turntrans-108.96.9-177.6-58.6-156.1-61.7-162.5-0.3113.6I275 C276 T280I275-R278 PolarHBondContact O-N 3.37Å; C276-R278 PolarHBondContact O-N 3.5Å; R278-T280 PolarHBondContact O-N 2.71Å
279Q96.7Very high97Very high37 Ų3732.1 Ų32.117%0.17316%0.156CC..  trans-75.5127.6179.5-73.7-55.9-18.200111.6I275 C276 S284 L285 Y288I275-Q279 HydrophobicContact CG2-CG 4.18Å; I275-Q279 WeakPolarHBondContact O-CG 3.2Å; I275-Q279 PolarHBondContact O-N 2.8Å; C276-Q279 PolarHBondContact O-N 3.42Å; Q279-S284 PolarHBondContact OE1-OG 2.99Å; Q279-S284 VanDerWaalsContact OE1-OG 3.1Å; Q279-L285 HydrophobicContact CB-CB 3.79Å; Q279-L285 HydrophobicContact CB-CD1 4.27Å; Q279-L285 HydrophobicContact CB-CG 4.21Å; Q279-L285 HydrophobicContact CG-CB 4.33Å; Q279-Y288 HydrophobicContact CG-CD2 4.1Å
280T95.9Very high97Very high80 Ų8032.1 Ų32.149%0.49116%0.156SC..SBendtrans-82.9-32.1171.655.50000111.8R278 M342R278-T280 PolarHBondContact O-N 2.71Å; T280-M342 WeakPolarHBondContact O-CB 3.09Å; T280-M342 PolarHBondContact O-N 2.87Å
281D95.9Very high97Very high44 Ų4431.2 Ų31.224%0.23515%0.152CC..BIsolated β-bridgetrans-91.3117.4-175.7-82.40.2000110.7K283 S284 L285D281-K283 PolarHBondContact O-N 3.18Å; D281-S284 VanDerWaalsContact CB-OG 3.31Å; D281-S284 WeakPolarHBondContact CB-OG 3.41Å; D281-S284 WeakPolarHBondContact O-CB 3.35Å; D281-S284 PolarHBondContact O-N 3.27Å; D281-S284 PolarHBondContact O-OG 3.39Å; D281-L285 PolarHBondContact O-N 3.42Å
282L95.4Very high96.9Very high8 Ų828.5 Ų28.54%0.04214%0.138CC..Hα-helixtrans-64.1-41.4-172.6-171.7150.2000112.6S284 L285 I286 A330 R340 M342 W359 T414L282-S284 VanDerWaalsContact C-N 3.28Å; L282-S284 PolarHBondContact O-N 2.99Å; L282-L285 PolarHBondContact O-N 3.3Å; L282-I286 HydrophobicContact CD2-CD1 3.65Å; L282-I286 WeakPolarHBondContact O-CG1 3.35Å; L282-I286 PolarHBondContact O-N 3.18Å; L282-A330 HydrophobicContact CD2-CB 3.11Å; L282-R340 PolarHBondContact N-O 3.22Å; L282-M342 HydrophobicContact CB-CB 4.28Å; L282-M342 HydrophobicContact CD1-CG 4.19Å; L282-W359 HydrophobicContact CD1-CH2 3.79Å; L282-W359 HydrophobicContact CD1-CZ2 4.41Å; L282-W359 HydrophobicContact CD2-CH2 4.01Å; L282-W359 HydrophobicContact CG-CH2 4.41Å; L282-T414 HydrophobicContact CD1-CG2 3.45Å; L282-T414 VanDerWaalsContact CD1-CG2 3.45Å
283K95.9Very high96.9Very high12 Ų1228.6 Ų28.65%0.05214%0.138CC..Hα-helixtrans-64.3-34.4174.7-79.4-166.4179.1-173.90112.3V221 A223 D281 A287 F327 A330V221-K283 HydrophobicContact CG2-CB 4.07Å; A223-K283 PolarHBondContact O-NZ 3.26Å; D281-K283 PolarHBondContact O-N 3.18Å; K283-A287 WeakPolarHBondContact O-CB 3.39Å; K283-A287 PolarHBondContact O-N 3.35Å; K283-F327 HydrophobicContact CB-CE1 4.36Å; K283-F327 HydrophobicContact CG-CD1 4.36Å; K283-F327 HydrophobicContact CG-CE1 4.47Å; K283-A330 HydrophobicContact CG-CB 4.18Å
284S96.3Very high96.9Very high9 Ų928.7 Ų28.76%0.06314%0.139CC..Hα-helixtrans-71.8-38.5178.882.70000111Q279 D281 L282 I286 A287 Y288Q279-S284 PolarHBondContact OE1-OG 2.99Å; Q279-S284 VanDerWaalsContact OE1-OG 3.1Å; D281-S284 VanDerWaalsContact CB-OG 3.31Å; D281-S284 WeakPolarHBondContact CB-OG 3.41Å; D281-S284 WeakPolarHBondContact O-CB 3.35Å; D281-S284 PolarHBondContact O-N 3.27Å; D281-S284 PolarHBondContact O-OG 3.39Å; L282-S284 VanDerWaalsContact C-N 3.28Å; L282-S284 PolarHBondContact O-N 2.99Å; S284-I286 VanDerWaalsContact C-N 3.31Å; S284-I286 PolarHBondContact O-N 3.42Å; S284-A287 CarbonylContact O-C 3.59Å; S284-A287 WeakPolarHBondContact O-CA 3.42Å; S284-A287 WeakPolarHBondContact O-CB 3.49Å; S284-A287 PolarHBondContact O-N 2.92Å; S284-A287 VanDerWaalsContact O-N 3.1Å; S284-Y288 VanDerWaalsContact O-CD2 3.24Å; S284-Y288 WeakPolarHBondContact O-CD2 3.34Å; S284-Y288 PolarHBondContact O-N 2.9Å
285L97.6Very high96.9Very high0 Ų027 Ų270%013%0.127CC..Hα-helixtrans-57.4-46.8173.8-170.2159.3000110.2C276 Q279 D281 L282 A287 Y288 S289 M342 Y406 M410C276-L285 HydrophobicContact CB-CG 4.16Å; C276-L285 WeakPolarHBondContact O-CD1 3.24Å; Q279-L285 HydrophobicContact CB-CB 3.79Å; Q279-L285 HydrophobicContact CB-CD1 4.27Å; Q279-L285 HydrophobicContact CB-CG 4.21Å; Q279-L285 HydrophobicContact CG-CB 4.33Å; D281-L285 PolarHBondContact O-N 3.42Å; L282-L285 PolarHBondContact O-N 3.3Å; L285-A287 VanDerWaalsContact C-N 3.33Å; L285-A287 PolarHBondContact O-N 3.31Å; L285-Y288 PolarHBondContact O-N 3.06Å; L285-S289 PolarHBondContact O-N 3.2Å; L285-M342 HydrophobicContact CD1-CE 4.33Å; L285-M342 HydrophobicContact CD1-SD 4.07Å; L285-Y406 HydrophobicContact CD2-CD2 4.28Å; L285-M410 HydrophobicContact CD2-CB 4.32Å; L285-M410 HydrophobicContact CD2-CE 3.38Å; L285-M410 HydrophobicContact CD2-CG 4.37Å
286I97.6Very high96.9Very high0 Ų025 Ų250%012%0.117CC..Hα-helixtrans-63.1-40.2176.4-58.9161.4000110.9L282 S284 S289 S290 L326 F327 A330 M410L282-I286 HydrophobicContact CD2-CD1 3.65Å; L282-I286 WeakPolarHBondContact O-CG1 3.35Å; L282-I286 PolarHBondContact O-N 3.18Å; S284-I286 VanDerWaalsContact C-N 3.31Å; S284-I286 PolarHBondContact O-N 3.42Å; I286-S289 WeakPolarHBondContact CA-OG 3.4Å; I286-S289 PolarHBondContact O-N 3.1Å; I286-S289 PolarHBondContact O-OG 3.29Å; I286-S290 PolarHBondContact O-N 3.13Å; I286-L326 HydrophobicContact CD1-CB 3.89Å; I286-L326 WeakPolarHBondContact CD1-O 3.06Å; I286-L326 HydrophobicContact CG1-CB 4.09Å; I286-L326 HydrophobicContact CG2-CB 3.96Å; I286-L326 HydrophobicContact CG2-CD1 4.5Å; I286-F327 HydrophobicContact CB-CD1 4.47Å; I286-F327 HydrophobicContact CB-CE1 4.02Å; I286-F327 HydrophobicContact CB-CE2 4.39Å; I286-F327 HydrophobicContact CB-CZ 3.96Å; I286-F327 HydrophobicContact CD1-CD1 4.39Å; I286-F327 HydrophobicContact CG2-CD1 4.24Å; I286-F327 HydrophobicContact CG2-CD2 3.83Å; I286-F327 HydrophobicContact CG2-CE1 3.97Å; I286-F327 HydrophobicContact CG2-CE2 3.5Å; I286-F327 HydrophobicContact CG2-CG 4.17Å; I286-F327 HydrophobicContact CG2-CZ 3.58Å; I286-A330 HydrophobicContact CD1-CB 3.86Å; I286-M410 HydrophobicContact CG1-CE 4.25Å
287A96.8Very high96.9Very high0 Ų025 Ų250%012%0.117CC..Hα-helixtrans-64.8-38.5176.600000113.5L216 H220 K283 S284 L285 S290 I291 F327L216-A287 HydrophobicContact CD2-CB 3.7Å; L216-A287 WeakPolarHBondContact CD2-O 3.27Å; H220-A287 HydrophobicContact CB-CB 3.94Å; K283-A287 WeakPolarHBondContact O-CB 3.39Å; K283-A287 PolarHBondContact O-N 3.35Å; S284-A287 CarbonylContact O-C 3.59Å; S284-A287 WeakPolarHBondContact O-CA 3.42Å; S284-A287 WeakPolarHBondContact O-CB 3.49Å; S284-A287 PolarHBondContact O-N 2.92Å; S284-A287 VanDerWaalsContact O-N 3.1Å; L285-A287 VanDerWaalsContact C-N 3.33Å; L285-A287 PolarHBondContact O-N 3.31Å; A287-S290 PolarHBondContact O-N 3.44Å; A287-S290 PolarHBondContact O-OG 3.4Å; A287-I291 WeakPolarHBondContact O-CG1 3.34Å; A287-I291 PolarHBondContact O-N 3.09Å; A287-F327 HydrophobicContact CB-CZ 4.41Å
288Y97.8Very high96.9Very high38 Ų3822.1 Ų22.115%0.14910%0.102CC..Hα-helixtrans-70.8-35.2173.4-78.6-72.7000112.1P217 T272 I275 C276 Q279 S284 L285 S290 I291 S292P217-Y288 HydrophobicContact CB-CE2 3.95Å; P217-Y288 HydrophobicContact CG-CD1 4.28Å; P217-Y288 HydrophobicContact CG-CD2 4.38Å; P217-Y288 HydrophobicContact CG-CE1 3.74Å; P217-Y288 HydrophobicContact CG-CE2 3.84Å; P217-Y288 VanDerWaalsContact CG-CZ 3.49Å; T272-Y288 HydrophobicContact CG2-CD1 4.41Å; I275-Y288 HydrophobicContact CD1-CE1 4.27Å; I275-Y288 HydrophobicContact CG2-CD1 3.94Å; I275-Y288 HydrophobicContact CG2-CD2 3.82Å; I275-Y288 HydrophobicContact CG2-CE1 4.03Å; I275-Y288 HydrophobicContact CG2-CE2 3.92Å; I275-Y288 HydrophobicContact CG2-CG 3.83Å; C276-Y288 WeakPolarHBondContact SG-CB 3.23Å; Q279-Y288 HydrophobicContact CG-CD2 4.1Å; S284-Y288 VanDerWaalsContact O-CD2 3.24Å; S284-Y288 WeakPolarHBondContact O-CD2 3.34Å; S284-Y288 PolarHBondContact O-N 2.9Å; L285-Y288 PolarHBondContact O-N 3.06Å; Y288-S290 VanDerWaalsContact C-N 3.26Å; Y288-S290 PolarHBondContact O-N 3.36Å; Y288-I291 HydrophobicContact CD1-CD1 3.9Å; Y288-I291 HydrophobicContact CE1-CD1 4.31Å; Y288-I291 WeakPolarHBondContact O-CB 3.08Å; Y288-I291 PolarHBondContact O-N 3.1Å; Y288-I291 VanDerWaalsContact O-N 3.14Å; Y288-S292 PolarHBondContact O-N 3.28Å
289S97.3Very high96.9Very high1 Ų111.8 Ų11.81%0.0076%0.063CC..Hα-helixtrans-64.3-30.4173.477.70000112.7C276 L285 I286 S292 H293C276-S289 PolarHBondContact SG-N 2.84Å; C276-S289 VanDerWaalsContact SG-N 3.42Å; L285-S289 PolarHBondContact O-N 3.2Å; I286-S289 WeakPolarHBondContact CA-OG 3.4Å; I286-S289 PolarHBondContact O-N 3.1Å; I286-S289 PolarHBondContact O-OG 3.29Å; S289-S292 WeakPolarHBondContact CA-OG 3.34Å; S289-S292 PolarHBondContact O-N 3.06Å; S289-S292 PolarHBondContact O-OG 2.82Å; S289-H293 WeakPolarHBondContact O-CB 3.23Å; S289-H293 PolarHBondContact O-CD2 3.39Å; S289-H293 PolarHBondContact O-N 2.75Å; S289-H293 VanDerWaalsContact O-N 3.11Å
290S96.6Very high96.9Very high0 Ų010 Ų100%06%0.055CC..Hα-helixtrans-72.2-31.7173.764.70000112.6I286 A287 Y288 M294 H319I286-S290 PolarHBondContact O-N 3.13Å; A287-S290 PolarHBondContact O-N 3.44Å; A287-S290 PolarHBondContact O-OG 3.4Å; Y288-S290 VanDerWaalsContact C-N 3.26Å; Y288-S290 PolarHBondContact O-N 3.36Å; S290-M294 WeakPolarHBondContact O-CB 3.11Å; S290-M294 WeakPolarHBondContact O-CG 3.38Å; S290-M294 PolarHBondContact O-N 2.95Å; S290-H319 WeakPolarHBondContact CA-NE2 3.08Å; S290-H319 WeakPolarHBondContact CB-NE2 3.21Å
291I97.6Very high96.9Very high2 Ų26.3 Ų6.31%0.013%0.032CC..Hα-helixtrans-66-43.8172.4-59.3159.6000110.5P208 H213 L216 P217 T272 A287 Y288 H293 M294 A295P208-I291 HydrophobicContact CB-CG1 4.24Å; P208-I291 HydrophobicContact CG-CB 4.38Å; P208-I291 HydrophobicContact CG-CG1 3.87Å; P208-I291 HydrophobicContact CG-CG2 4.28Å; H213-I291 HydrophobicContact CB-CD1 3.76Å; H213-I291 HydrophobicContact CB-CG1 4.15Å; H213-I291 HydrophobicContact CB-CG2 3.96Å; L216-I291 HydrophobicContact CB-CD1 4.42Å; L216-I291 HydrophobicContact CD1-CG1 3.92Å; L216-I291 HydrophobicContact CD2-CD1 4.24Å; L216-I291 HydrophobicContact CD2-CG1 4.16Å; L216-I291 HydrophobicContact CG-CG1 4.46Å; P217-I291 HydrophobicContact CG-CD1 4.07Å; T272-I291 HydrophobicContact CG2-CB 4.27Å; T272-I291 HydrophobicContact CG2-CG2 3.77Å; A287-I291 WeakPolarHBondContact O-CG1 3.34Å; A287-I291 PolarHBondContact O-N 3.09Å; Y288-I291 HydrophobicContact CD1-CD1 3.9Å; Y288-I291 HydrophobicContact CE1-CD1 4.31Å; Y288-I291 WeakPolarHBondContact O-CB 3.08Å; Y288-I291 PolarHBondContact O-N 3.1Å; Y288-I291 VanDerWaalsContact O-N 3.14Å; I291-H293 PolarHBondContact O-N 2.89Å; I291-M294 PolarHBondContact O-N 3.02Å; I291-A295 WeakPolarHBondContact O-CB 3.29Å; I291-A295 PolarHBondContact O-N 2.66Å
292S97.1Very high96.9Very high0 Ų04.9 Ų4.90%02%0.024CC..Hα-helixtrans-63.3-42.317963.10000112.3T272 Y288 S289 A295T272-S292 WeakPolarHBondContact OG1-CA 3.21Å; T272-S292 WeakPolarHBondContact OG1-CB 3.46Å; Y288-S292 PolarHBondContact O-N 3.28Å; S289-S292 WeakPolarHBondContact CA-OG 3.34Å; S289-S292 PolarHBondContact O-N 3.06Å; S289-S292 PolarHBondContact O-OG 2.82Å; S292-A295 WeakPolarHBondContact O-CB 3.24Å; S292-A295 PolarHBondContact O-N 3.31Å
293H97.4Very high96.8Very high1 Ų15.5 Ų5.51%0.0053%0.028CC..Hα-helixtrans-69.2-41.5177.5-76.9-56.3000113S289 I291 A295 L296 V297 H319 N366 E378S289-H293 WeakPolarHBondContact O-CB 3.23Å; S289-H293 PolarHBondContact O-CD2 3.39Å; S289-H293 PolarHBondContact O-N 2.75Å; S289-H293 VanDerWaalsContact O-N 3.11Å; I291-H293 PolarHBondContact O-N 2.89Å; H293-A295 VanDerWaalsContact C-N 3.28Å; H293-A295 PolarHBondContact O-N 3.1Å; H293-L296 WeakPolarHBondContact O-CB 3.44Å; H293-L296 PolarHBondContact O-N 3.36Å; H293-V297 PolarHBondContact O-N 3.28Å; H293-H319 WeakPolarHBondContact CB-ND1 3.43Å; H293-H319 AromaticContact CD2-CE1 3.49Å; H293-H319 PolarHBondContact CD2-CE1 2.87Å; H293-H319 VanDerWaalsContact CD2-CE1 3.49Å; H293-H319 AromaticContact CD2-ND1 3.28Å; H293-H319 PolarHBondContact CD2-ND1 3.44Å; H293-H319 VanDerWaalsContact CD2-ND1 3.28Å; H293-H319 AromaticContact CG-CE1 3.88Å; H293-H319 AromaticContact CG-ND1 3.48Å; H293-N366 PolarHBondContact NE2-O 2.72Å; H293-N366 PolarHBondContact NE2-OD1 3.12Å; H293-E378 IonicContact CE1-OE1 3.39Å; H293-E378 PolarHBondContact CE1-OE1 3.35Å; H293-E378 IonicContact ND1-OE1 3.84Å; H293-E378 PolarHBondContact ND1-OE1 3.11Å
294M97.1Very high96.7Very high2 Ų26.9 Ų6.91%0.013%0.034CC..Hα-helixtrans-70.9-24.2176.1-63.8-62.791.900112.3L236 K237 S290 I291 L296 V297 V298 H319L236-M294 HydrophobicContact CB-CG 4.28Å; L236-M294 HydrophobicContact CB-SD 4.17Å; L236-M294 HydrophobicContact CD1-CG 4.12Å; K237-M294 HydrophobicContact CD-SD 4.22Å; S290-M294 WeakPolarHBondContact O-CB 3.11Å; S290-M294 WeakPolarHBondContact O-CG 3.38Å; S290-M294 PolarHBondContact O-N 2.95Å; I291-M294 PolarHBondContact O-N 3.02Å; M294-L296 VanDerWaalsContact C-N 3.31Å; M294-L296 PolarHBondContact O-N 3.08Å; M294-V297 HydrophobicContact CE-CG2 3.88Å; M294-V297 WeakPolarHBondContact O-CB 3.37Å; M294-V297 PolarHBondContact O-N 3.03Å; M294-V297 VanDerWaalsContact O-N 3.16Å; M294-V297 HydrophobicContact SD-CG2 4.41Å; M294-V298 WeakPolarHBondContact O-CG2 3.32Å; M294-V298 PolarHBondContact O-N 3.08Å; M294-H319 HydrophobicContact CE-CB 3.89Å; M294-H319 WeakPolarHBondContact CE-CD2 3.25Å
295A97.4Very high96.6Very high7 Ų78.5 Ų8.56%0.0584%0.044CC..Hα-helixtrans-63.2-37172.500000112.1M269 I291 S292 H293 V298 T299M269-A295 HydrophobicContact CB-CB 3.96Å; M269-A295 HydrophobicContact CE-CB 4.46Å; I291-A295 WeakPolarHBondContact O-CB 3.29Å; I291-A295 PolarHBondContact O-N 2.66Å; S292-A295 WeakPolarHBondContact O-CB 3.24Å; S292-A295 PolarHBondContact O-N 3.31Å; H293-A295 VanDerWaalsContact C-N 3.28Å; H293-A295 PolarHBondContact O-N 3.1Å; A295-V298 PolarHBondContact O-N 2.78Å; A295-T299 WeakPolarHBondContact O-CG2 3.17Å; A295-T299 PolarHBondContact O-N 3.49Å
296L97Very high96.3Very high6 Ų612.8 Ų12.83%0.0317%0.072CC..Hα-helixtrans-60.9-43.9170.5-72.8163.6000111.2M269 H293 M294 V298 T299 A300 L315 E378 V381 T396M269-L296 HydrophobicContact CE-CD2 3.58Å; M269-L296 HydrophobicContact CE-CG 3.89Å; M269-L296 HydrophobicContact SD-CD2 3.8Å; M269-L296 HydrophobicContact SD-CG 4.26Å; H293-L296 WeakPolarHBondContact O-CB 3.44Å; H293-L296 PolarHBondContact O-N 3.36Å; M294-L296 VanDerWaalsContact C-N 3.31Å; M294-L296 PolarHBondContact O-N 3.08Å; L296-V298 VanDerWaalsContact C-N 3.34Å; L296-V298 PolarHBondContact O-N 3.22Å; L296-T299 WeakPolarHBondContact CA-OG1 3.15Å; L296-T299 PolarHBondContact O-N 2.96Å; L296-T299 PolarHBondContact O-OG1 2.9Å; L296-A300 WeakPolarHBondContact O-CB 3.35Å; L296-A300 PolarHBondContact O-N 3.13Å; L296-L315 HydrophobicContact CB-CD2 3.76Å; L296-L315 HydrophobicContact CD1-CD2 4.36Å; L296-E378 HydrophobicContact CD1-CG 4.31Å; L296-V381 HydrophobicContact CB-CG1 4.3Å; L296-V381 HydrophobicContact CD2-CG1 4.08Å; L296-T396 HydrophobicContact CD2-CG2 4.4Å
297V97.6Very high96.1Very high0 Ų021 Ų210%010%0.103CC..Hα-helixtrans-59.1-44.1175.2178.50000111.3M207 H293 M294 T299 A300 I301 A312 L315 M316M207-V297 HydrophobicContact SD-CG1 3.95Å; H293-V297 PolarHBondContact O-N 3.28Å; M294-V297 HydrophobicContact CE-CG2 3.88Å; M294-V297 WeakPolarHBondContact O-CB 3.37Å; M294-V297 PolarHBondContact O-N 3.03Å; M294-V297 VanDerWaalsContact O-N 3.16Å; M294-V297 HydrophobicContact SD-CG2 4.41Å; V297-T299 PolarHBondContact O-N 3.21Å; V297-A300 PolarHBondContact O-N 3.13Å; V297-I301 HydrophobicContact CG1-CD1 3.7Å; V297-I301 HydrophobicContact CG1-CG1 4.38Å; V297-I301 VanDerWaalsContact O-CG1 3.3Å; V297-I301 WeakPolarHBondContact O-CG1 3.46Å; V297-I301 PolarHBondContact O-N 3.43Å; V297-A312 HydrophobicContact CG1-CB 4.16Å; V297-L315 HydrophobicContact CG2-CB 4.23Å; V297-L315 HydrophobicContact CG2-CD2 3.69Å; V297-L315 HydrophobicContact CG2-CG 4.04Å; V297-M316 HydrophobicContact CG1-CG 3.78Å; V297-M316 HydrophobicContact CG1-SD 4.01Å; V297-M316 HydrophobicContact CG2-CG 4Å
298V97Very high96Very high1 Ų121 Ų211%0.00610%0.103CC..Hα-helixtrans-60.1-46.2176.1172.60000110.9M204 M207 L209 M243 M294 A295 L296 A300 I301 L302M204-V298 HydrophobicContact CE-CG1 4.14Å; M204-V298 HydrophobicContact SD-CG1 3.88Å; M207-V298 HydrophobicContact CB-CG2 3.86Å; M207-V298 HydrophobicContact CE-CG2 3.97Å; M207-V298 HydrophobicContact CG-CG2 4.46Å; M207-V298 HydrophobicContact SD-CG2 3.84Å; L209-V298 HydrophobicContact CD1-CG1 4.18Å; M243-V298 HydrophobicContact CE-CG1 4.44Å; M294-V298 WeakPolarHBondContact O-CG2 3.32Å; M294-V298 PolarHBondContact O-N 3.08Å; A295-V298 PolarHBondContact O-N 2.78Å; L296-V298 VanDerWaalsContact C-N 3.34Å; L296-V298 PolarHBondContact O-N 3.22Å; V298-A300 VanDerWaalsContact C-N 3.32Å; V298-A300 PolarHBondContact O-N 3.07Å; V298-I301 PolarHBondContact O-N 2.75Å; V298-L302 HydrophobicContact CG1-CD1 3.86Å; V298-L302 HydrophobicContact CG1-CG 4.42Å; V298-L302 WeakPolarHBondContact O-CB 3.45Å; V298-L302 WeakPolarHBondContact O-CG 3.5Å; V298-L302 PolarHBondContact O-N 2.99Å
299T96.7Very high95.8Very high0 Ų021.1 Ų21.10%010%0.104CC..Hα-helixtrans-59.3-44.2177.459.20000112L262 S265 L266 M269 A295 L296 V297 L302 I303L262-T299 HydrophobicContact CD2-CG2 4.36Å; S265-T299 WeakPolarHBondContact OG-CG2 3.47Å; L266-T299 HydrophobicContact CD2-CG2 3.9Å; L266-T299 HydrophobicContact CG-CG2 3.82Å; M269-T299 HydrophobicContact CE-CG2 3.89Å; A295-T299 WeakPolarHBondContact O-CG2 3.17Å; A295-T299 PolarHBondContact O-N 3.49Å; L296-T299 WeakPolarHBondContact CA-OG1 3.15Å; L296-T299 PolarHBondContact O-N 2.96Å; L296-T299 PolarHBondContact O-OG1 2.9Å; V297-T299 PolarHBondContact O-N 3.21Å; T299-L302 PolarHBondContact O-N 3.38Å; T299-I303 WeakPolarHBondContact O-CD1 3.38Å; T299-I303 WeakPolarHBondContact O-CG1 3.42Å; T299-I303 PolarHBondContact O-N 3.2Å; T299-I303 VanDerWaalsContact O-N 3.11Å
300A96.4Very high95.7Very high0 Ų021.6 Ų21.60%011%0.107CC..Hα-helixtrans-66.6-40.7-177.200000112.5L296 V297 V298 Q304 S308 A312 V381L296-A300 WeakPolarHBondContact O-CB 3.35Å; L296-A300 PolarHBondContact O-N 3.13Å; V297-A300 PolarHBondContact O-N 3.13Å; V298-A300 VanDerWaalsContact C-N 3.32Å; V298-A300 PolarHBondContact O-N 3.07Å; A300-Q304 PolarHBondContact O-N 3.14Å; A300-S308 WeakPolarHBondContact CB-O 3.43Å; A300-S308 WeakPolarHBondContact O-CB 3.37Å; A300-S308 PolarHBondContact O-OG 3.16Å; A300-A312 HydrophobicContact CB-CB 3.95Å; A300-V381 HydrophobicContact CB-CB 4.43Å; A300-V381 HydrophobicContact CB-CG1 4Å; A300-V381 HydrophobicContact CB-CG2 3.67Å
301I96Very high95.6Very high1 Ų121.6 Ų21.61%0.00511%0.107CC..Hα-helixtrans-68.6-37.5177-64.8166.7000111.1M207 M243 M244 T247 V297 V298 Q304 F309 A312M207-I301 HydrophobicContact CE-CD1 4Å; M207-I301 HydrophobicContact SD-CD1 4.09Å; M243-I301 HydrophobicContact CB-CG2 4.06Å; M243-I301 HydrophobicContact CE-CB 3.61Å; M243-I301 HydrophobicContact CE-CD1 4.27Å; M243-I301 HydrophobicContact CE-CG2 3.36Å; M243-I301 HydrophobicContact CG-CG2 4.09Å; M244-I301 HydrophobicContact CE-CD1 3.89Å; M244-I301 HydrophobicContact CE-CG1 3.6Å; M244-I301 HydrophobicContact CG-CD1 4.11Å; M244-I301 HydrophobicContact CG-CG1 3.98Å; M244-I301 HydrophobicContact CG-CG2 4.26Å; T247-I301 HydrophobicContact CG2-CG2 4.34Å; V297-I301 HydrophobicContact CG1-CD1 3.7Å; V297-I301 HydrophobicContact CG1-CG1 4.38Å; V297-I301 VanDerWaalsContact O-CG1 3.3Å; V297-I301 WeakPolarHBondContact O-CG1 3.46Å; V297-I301 PolarHBondContact O-N 3.43Å; V298-I301 PolarHBondContact O-N 2.75Å; I301-Q304 WeakPolarHBondContact O-CG 3.22Å; I301-Q304 PolarHBondContact O-N 3.46Å; I301-F309 HydrophobicContact CB-CE1 4.45Å; I301-F309 HydrophobicContact CG2-CE1 4.13Å; I301-A312 HydrophobicContact CG1-CB 4.15Å
302L95.6Very high95.6Very high14 Ų1421.5 Ų21.57%0.07311%0.106CC..Hα-helixtrans-71-28.6179.8-73.7175.5000113.5W196 M204 M243 A258 F261 L262 V298 T299W196-L302 HydrophobicContact CZ2-CD2 4.36Å; M204-L302 HydrophobicContact CE-CD1 3.97Å; M204-L302 HydrophobicContact CE-CD2 3.85Å; M204-L302 HydrophobicContact CE-CG 4.18Å; M243-L302 HydrophobicContact CE-CD2 4.15Å; M243-L302 HydrophobicContact CE-CG 4.07Å; A258-L302 HydrophobicContact CB-CB 4.21Å; A258-L302 HydrophobicContact CB-CD2 4.1Å; F261-L302 HydrophobicContact CB-CD1 3.64Å; L262-L302 HydrophobicContact CD2-CB 3.79Å; L262-L302 HydrophobicContact CD2-CD1 4.19Å; L262-L302 HydrophobicContact CG-CB 4.05Å; L262-L302 HydrophobicContact CG-CD1 4.04Å; V298-L302 HydrophobicContact CG1-CD1 3.86Å; V298-L302 HydrophobicContact CG1-CG 4.42Å; V298-L302 WeakPolarHBondContact O-CB 3.45Å; V298-L302 WeakPolarHBondContact O-CG 3.5Å; V298-L302 PolarHBondContact O-N 2.99Å; T299-L302 PolarHBondContact O-N 3.38Å
303I95Very high95.5Very high22 Ų2221.5 Ų21.511%0.11311%0.107CC..Hα-helixtrans-74.5-26.5175.6-69.4164.7000112.1L262 T299 T305 T385 W388L262-I303 HydrophobicContact CD2-CD1 4.48Å; L262-I303 HydrophobicContact CD2-CG1 4.11Å; T299-I303 WeakPolarHBondContact O-CD1 3.38Å; T299-I303 WeakPolarHBondContact O-CG1 3.42Å; T299-I303 PolarHBondContact O-N 3.2Å; T299-I303 VanDerWaalsContact O-N 3.11Å; I303-T305 VanDerWaalsContact C-N 3.33Å; I303-T305 HydrophobicContact CG2-CG2 3.85Å; I303-T305 PolarHBondContact O-N 2.95Å; I303-T385 HydrophobicContact CD1-CG2 3.57Å; I303-W388 HydrophobicContact CD1-CB 4.04Å; I303-W388 HydrophobicContact CD1-CG 4.14Å; I303-W388 HydrophobicContact CG1-CB 4.28Å; I303-W388 HydrophobicContact CG1-CD2 4.44Å; I303-W388 HydrophobicContact CG1-CG 3.98Å; I303-W388 HydrophobicContact CG2-CB 4.15Å; I303-W388 HydrophobicContact CG2-CG 4.34Å
304Q93.1Very high95.4Very high41 Ų4121.7 Ų21.719%0.19211%0.108CC..  trans56.734171.8-56.7-179.8-17.300116T247 N251 T254 A300 I301 F309T247-Q304 HydrophobicContact CG2-CG 4.28Å; N251-Q304 PolarHBondContact OD1-NE2 3.5Å; N251-Q304 PolarHBondContact OD1-OE1 2.79Å; T254-Q304 VanDerWaalsContact CG2-NE2 3.33Å; T254-Q304 PolarHBondContact OG1-OE1 3.05Å; A300-Q304 PolarHBondContact O-N 3.14Å; I301-Q304 WeakPolarHBondContact O-CG 3.22Å; I301-Q304 PolarHBondContact O-N 3.46Å; Q304-F309 HydrophobicContact CB-CE2 4.44Å; Q304-F309 HydrophobicContact CB-CZ 3.99Å; Q304-F309 HydrophobicContact CG-CZ 4.04Å
305T93.2Very high95.4Very high42 Ų4221.6 Ų21.626%0.25811%0.107SC..  trans-90.6153.3169.561.60000110.5I303 W307 S308 F309 T384I303-T305 VanDerWaalsContact C-N 3.33Å; I303-T305 HydrophobicContact CG2-CG2 3.85Å; I303-T305 PolarHBondContact O-N 2.95Å; T305-W307 VanDerWaalsContact C-N 3.3Å; T305-W307 PolarHBondContact O-N 2.93Å; T305-S308 PolarHBondContact N-OG 3.49Å; T305-S308 PolarHBondContact O-N 3.05Å; T305-S308 PolarHBondContact O-OG 3.42Å; T305-S308 WeakPolarHBondContact OG1-CB 3.49Å; T305-S308 PolarHBondContact OG1-N 3.14Å; T305-S308 PolarHBondContact OG1-OG 3.3Å; T305-F309 PolarHBondContact O-N 2.97Å; T305-T384 WeakPolarHBondContact OG1-CG2 3.12Å
306P92.2Very high95.4Very high91 Ų9121.3 Ų21.359%0.59110%0.104SC*.Hα-helixtrans-53.7-46.7176.8-27.735000112.7S308 F309 T310P306-S308 VanDerWaalsContact C-N 3.28Å; P306-S308 PolarHBondContact O-N 3.38Å; P306-F309 PolarHBondContact O-N 3.01Å; P306-T310 WeakPolarHBondContact O-CG2 3.31Å; P306-T310 PolarHBondContact O-N 3.41Å
307W93.3Very high95.4Very high172 Ų17221.1 Ų21.165%0.65210%0.103SC*.Hα-helixtrans-64.9-28.8176.9-76.773.1000113.3T305 T310 G311 T384T305-W307 VanDerWaalsContact C-N 3.3Å; T305-W307 PolarHBondContact O-N 2.93Å; W307-T310 WeakPolarHBondContact CA-OG1 3.34Å; W307-T310 PolarHBondContact O-OG1 3.49Å; W307-G311 PolarHBondContact O-N 3.45Å; W307-G311 VanDerWaalsContact O-N 3.08Å; W307-T384 HydrophobicContact CB-CG2 3.3Å
308S95Very high95.4Very high0 Ų021.1 Ų21.10%010%0.103CC..Hα-helixtrans-77.5-36.5178.270.60000110.9A300 T305 P306 A312 T384A300-S308 WeakPolarHBondContact CB-O 3.43Å; A300-S308 WeakPolarHBondContact O-CB 3.37Å; A300-S308 PolarHBondContact O-OG 3.16Å; T305-S308 PolarHBondContact N-OG 3.49Å; T305-S308 PolarHBondContact O-N 3.05Å; T305-S308 PolarHBondContact O-OG 3.42Å; T305-S308 WeakPolarHBondContact OG1-CB 3.49Å; T305-S308 PolarHBondContact OG1-N 3.14Å; T305-S308 PolarHBondContact OG1-OG 3.3Å; P306-S308 VanDerWaalsContact C-N 3.28Å; P306-S308 PolarHBondContact O-N 3.38Å; S308-A312 WeakPolarHBondContact O-CB 3.33Å; S308-A312 PolarHBondContact O-N 3.01Å; S308-T384 WeakPolarHBondContact CB-OG1 3.13Å
309F94.3Very high95.4Very high41 Ų4121 Ų2118%0.1810%0.103CC..Hα-helixtrans-64.4-41.7171.4-71.4-37.7000112.3M244 T247 I301 Q304 T305 P306 A312 V313M244-F309 HydrophobicContact CE-CD1 4.14Å; M244-F309 HydrophobicContact CG-CD1 4.1Å; M244-F309 HydrophobicContact CG-CE1 4.18Å; M244-F309 HydrophobicContact SD-CD1 4.49Å; T247-F309 HydrophobicContact CG2-CE1 4.37Å; T247-F309 HydrophobicContact CG2-CZ 4.07Å; I301-F309 HydrophobicContact CB-CE1 4.45Å; I301-F309 HydrophobicContact CG2-CE1 4.13Å; Q304-F309 HydrophobicContact CB-CE2 4.44Å; Q304-F309 HydrophobicContact CB-CZ 3.99Å; Q304-F309 HydrophobicContact CG-CZ 4.04Å; T305-F309 PolarHBondContact O-N 2.97Å; P306-F309 PolarHBondContact O-N 3.01Å; F309-A312 PolarHBondContact O-N 2.99Å; F309-V313 WeakPolarHBondContact O-CG2 3.38Å; F309-V313 PolarHBondContact O-N 3.37Å
310T93.8Very high95.4Very high10 Ų1021 Ų216%0.06110%0.103CC..Hα-helixtrans-65.3-46.4-179.564.60000110.4P306 W307 A312 V313 I314 T455 S458P306-T310 WeakPolarHBondContact O-CG2 3.31Å; P306-T310 PolarHBondContact O-N 3.41Å; W307-T310 WeakPolarHBondContact CA-OG1 3.34Å; W307-T310 PolarHBondContact O-OG1 3.49Å; T310-A312 VanDerWaalsContact C-N 3.34Å; T310-A312 PolarHBondContact O-N 2.98Å; T310-V313 PolarHBondContact O-N 3Å; T310-I314 WeakPolarHBondContact O-CD1 3.43Å; T310-I314 VanDerWaalsContact O-CG1 3.28Å; T310-I314 WeakPolarHBondContact O-CG1 3.08Å; T310-I314 PolarHBondContact O-N 3.14Å; T310-T455 WeakPolarHBondContact CA-O 3.44Å; T310-T455 VanDerWaalsContact CB-O 3.29Å; T310-T455 WeakPolarHBondContact CB-O 3.3Å; T310-T455 WeakPolarHBondContact CG2-O 3.44Å; T310-S458 WeakPolarHBondContact CG2-OG 3.13Å
311G95.4Very high95.4Very high0 Ų021.2 Ų21.20%010%0.104CC..Hα-helixtrans-59.2-41.9173.400000113.8W307 L315 S380W307-G311 PolarHBondContact O-N 3.45Å; W307-G311 VanDerWaalsContact O-N 3.08Å; G311-L315 WeakPolarHBondContact O-CB 3.1Å; G311-L315 PolarHBondContact O-N 2.77Å; G311-S380 WeakPolarHBondContact CA-OG 3.19Å
312A96.4Very high95.5Very high0 Ų021.2 Ų21.20%010%0.104CC..Hα-helixtrans-62-43.4175.800000112.4M244 V297 A300 I301 S308 F309 T310 M316M244-A312 HydrophobicContact CE-CB 3.38Å; V297-A312 HydrophobicContact CG1-CB 4.16Å; A300-A312 HydrophobicContact CB-CB 3.95Å; I301-A312 HydrophobicContact CG1-CB 4.15Å; S308-A312 WeakPolarHBondContact O-CB 3.33Å; S308-A312 PolarHBondContact O-N 3.01Å; F309-A312 PolarHBondContact O-N 2.99Å; T310-A312 VanDerWaalsContact C-N 3.34Å; T310-A312 PolarHBondContact O-N 2.98Å; A312-M316 WeakPolarHBondContact O-CB 3.42Å; A312-M316 VanDerWaalsContact O-CG 3.23Å; A312-M316 WeakPolarHBondContact O-CG 3.34Å; A312-M316 PolarHBondContact O-N 3.13Å
313V95.6Very high95.6Very high1 Ų120.6 Ų20.61%0.00610%0.101CC..Hα-helixtrans-65.5-48.6178.1176.40000111.1L61 M244 F309 T310 L315 M316 I317 I454L61-V313 HydrophobicContact CD1-CG2 3.36Å; M244-V313 HydrophobicContact CE-CG2 3.84Å; M244-V313 HydrophobicContact SD-CG2 3.96Å; F309-V313 WeakPolarHBondContact O-CG2 3.38Å; F309-V313 PolarHBondContact O-N 3.37Å; T310-V313 PolarHBondContact O-N 3Å; V313-L315 VanDerWaalsContact C-N 3.34Å; V313-L315 PolarHBondContact O-N 3.27Å; V313-M316 HydrophobicContact CB-CE 4.49Å; V313-M316 HydrophobicContact CG2-CE 4.11Å; V313-M316 WeakPolarHBondContact O-CB 3.49Å; V313-M316 PolarHBondContact O-N 3.26Å; V313-I317 HydrophobicContact CG1-CD1 3.81Å; V313-I317 WeakPolarHBondContact O-CD1 3.38Å; V313-I317 WeakPolarHBondContact O-CG1 3.3Å; V313-I317 PolarHBondContact O-N 2.95Å; V313-I317 VanDerWaalsContact O-N 3.12Å; V313-I454 WeakPolarHBondContact CG1-O 3.42Å
314I95.9Very high95.7Very high5 Ų519.6 Ų19.63%0.02610%0.096CC..Hα-helixtrans-57-50.2177.3-66.6160.2000109.7T310 M316 I317 A318 I373 L376 I454 T455T310-I314 WeakPolarHBondContact O-CD1 3.43Å; T310-I314 VanDerWaalsContact O-CG1 3.28Å; T310-I314 WeakPolarHBondContact O-CG1 3.08Å; T310-I314 PolarHBondContact O-N 3.14Å; I314-M316 VanDerWaalsContact C-N 3.34Å; I314-M316 PolarHBondContact O-N 3.07Å; I314-I317 PolarHBondContact O-N 3.34Å; I314-A318 WeakPolarHBondContact O-CB 3.35Å; I314-A318 PolarHBondContact O-N 3.06Å; I314-I373 HydrophobicContact CG2-CB 4.42Å; I314-I373 VanDerWaalsContact CG2-O 3.23Å; I314-I373 WeakPolarHBondContact CG2-O 3.22Å; I314-L376 HydrophobicContact CD1-CD2 3.65Å; I314-L376 HydrophobicContact CD1-CG 4.1Å; I314-L376 HydrophobicContact CG1-CD2 4.36Å; I314-L376 HydrophobicContact CG2-CB 4.16Å; I314-L376 HydrophobicContact CG2-CD2 4.09Å; I314-L376 HydrophobicContact CG2-CG 4.41Å; I314-I454 HydrophobicContact CG1-CD1 4.27Å; I314-I454 HydrophobicContact CG1-CG1 4.18Å; I314-I454 WeakPolarHBondContact CG1-O 3.41Å; I314-I454 HydrophobicContact CG2-CD1 4.09Å; I314-T455 HydrophobicContact CD1-CG2 4.35Å
315L96.7Very high95.9Very high0 Ų017.6 Ų17.60%09%0.087CC..Hα-helixtrans-62.5-39-179.8-171.863.9000112.1L296 V297 G311 V313 I317 H319 E378L296-L315 HydrophobicContact CB-CD2 3.76Å; L296-L315 HydrophobicContact CD1-CD2 4.36Å; V297-L315 HydrophobicContact CG2-CB 4.23Å; V297-L315 HydrophobicContact CG2-CD2 3.69Å; V297-L315 HydrophobicContact CG2-CG 4.04Å; G311-L315 WeakPolarHBondContact O-CB 3.1Å; G311-L315 PolarHBondContact O-N 2.77Å; V313-L315 VanDerWaalsContact C-N 3.34Å; V313-L315 PolarHBondContact O-N 3.27Å; L315-I317 PolarHBondContact O-N 2.94Å; L315-H319 WeakPolarHBondContact O-CB 3.49Å; L315-H319 PolarHBondContact O-N 3.44Å; L315-E378 HydrophobicContact CD1-CG 3.6Å
316M97.3Very high96.1Very high0 Ų015.6 Ų15.60%07%0.074CC..Hα-helixtrans-59-45.8175.6-84-169.4-64.600112K237 M244 V297 A312 V313 I314 G320K237-M316 HydrophobicContact CB-SD 4.17Å; K237-M316 WeakPolarHBondContact CE-O 3.21Å; K237-M316 HydrophobicContact CG-CB 3.74Å; K237-M316 HydrophobicContact CG-CG 3.88Å; K237-M316 HydrophobicContact CG-SD 4.02Å; M244-M316 HydrophobicContact CE-CE 3.65Å; M244-M316 HydrophobicContact SD-CE 4.14Å; V297-M316 HydrophobicContact CG1-CG 3.78Å; V297-M316 HydrophobicContact CG1-SD 4.01Å; V297-M316 HydrophobicContact CG2-CG 4Å; A312-M316 WeakPolarHBondContact O-CB 3.42Å; A312-M316 VanDerWaalsContact O-CG 3.23Å; A312-M316 WeakPolarHBondContact O-CG 3.34Å; A312-M316 PolarHBondContact O-N 3.13Å; V313-M316 HydrophobicContact CB-CE 4.49Å; V313-M316 HydrophobicContact CG2-CE 4.11Å; V313-M316 WeakPolarHBondContact O-CB 3.49Å; V313-M316 PolarHBondContact O-N 3.26Å; I314-M316 VanDerWaalsContact C-N 3.34Å; I314-M316 PolarHBondContact O-N 3.07Å; M316-G320 PolarHBondContact O-N 3.08Å
317I97.3Very high96.4Very high2 Ų211.3 Ų11.31%0.015%0.046CC..Hα-helixtrans-71.5-48.7-179.2-61.5151.4000110.3P64 V313 I314 L315 G320 L321 L447 I454P64-I317 HydrophobicContact CB-CD1 3.26Å; P64-I317 HydrophobicContact CB-CG1 3.97Å; P64-I317 HydrophobicContact CG-CD1 4.07Å; V313-I317 HydrophobicContact CG1-CD1 3.81Å; V313-I317 WeakPolarHBondContact O-CD1 3.38Å; V313-I317 WeakPolarHBondContact O-CG1 3.3Å; V313-I317 PolarHBondContact O-N 2.95Å; V313-I317 VanDerWaalsContact O-N 3.12Å; I314-I317 PolarHBondContact O-N 3.34Å; L315-I317 PolarHBondContact O-N 2.94Å; I317-G320 WeakPolarHBondContact O-CA 3.37Å; I317-G320 PolarHBondContact O-N 2.74Å; I317-L321 PolarHBondContact O-N 2.84Å; I317-L321 VanDerWaalsContact O-N 3.08Å; I317-L447 HydrophobicContact CG2-CD1 4.25Å; I317-I454 HydrophobicContact CD1-CB 3.6Å; I317-I454 HydrophobicContact CD1-CG2 3.7Å
318A96.6Very high96.6Very high0 Ų03.3 Ų3.30%02%0.016CC..Hα-helixtrans-57.8-53.8-179.200000111I314 G320 L321 T322 I373 N374I314-A318 WeakPolarHBondContact O-CB 3.35Å; I314-A318 PolarHBondContact O-N 3.06Å; A318-G320 VanDerWaalsContact C-N 3.26Å; A318-G320 PolarHBondContact O-N 2.92Å; A318-L321 PolarHBondContact O-N 3.32Å; A318-T322 WeakPolarHBondContact O-CG2 3.44Å; A318-T322 PolarHBondContact O-N 3.28Å; A318-T322 PolarHBondContact O-OG1 2.94Å; A318-I373 HydrophobicContact CB-CB 4.13Å; A318-I373 HydrophobicContact CB-CD1 3.69Å; A318-I373 HydrophobicContact CB-CG1 3.68Å; A318-N374 HydrophobicContact CB-CB 4.45Å; A318-N374 VanDerWaalsContact CB-OD1 3.29Å; A318-N374 WeakPolarHBondContact CB-OD1 3.36Å
319H97Very high96.7Very high0 Ų03.3 Ų3.30%02%0.016CC..Hα-helixtrans-61.9-34.1174.4-176.474.4000112.2K237 S290 H293 M294 L315 L321 T322 S323K237-H319 PolarHBondContact NZ-CD2 3.22Å; S290-H319 WeakPolarHBondContact CA-NE2 3.08Å; S290-H319 WeakPolarHBondContact CB-NE2 3.21Å; H293-H319 WeakPolarHBondContact CB-ND1 3.43Å; H293-H319 AromaticContact CD2-CE1 3.49Å; H293-H319 PolarHBondContact CD2-CE1 2.87Å; H293-H319 VanDerWaalsContact CD2-CE1 3.49Å; H293-H319 AromaticContact CD2-ND1 3.28Å; H293-H319 PolarHBondContact CD2-ND1 3.44Å; H293-H319 VanDerWaalsContact CD2-ND1 3.28Å; H293-H319 AromaticContact CG-CE1 3.88Å; H293-H319 AromaticContact CG-ND1 3.48Å; M294-H319 HydrophobicContact CE-CB 3.89Å; M294-H319 WeakPolarHBondContact CE-CD2 3.25Å; L315-H319 WeakPolarHBondContact O-CB 3.49Å; L315-H319 PolarHBondContact O-N 3.44Å; H319-L321 VanDerWaalsContact C-N 3.34Å; H319-L321 PolarHBondContact O-N 3.44Å; H319-T322 WeakPolarHBondContact CA-OG1 3.19Å; H319-T322 PolarHBondContact O-N 3.25Å; H319-T322 PolarHBondContact O-OG1 3.35Å; H319-S323 WeakPolarHBondContact O-CB 3.29Å; H319-S323 PolarHBondContact O-N 3.35Å; H319-S323 PolarHBondContact O-OG 3.48Å
320G96.9Very high96.8Very high0 Ų01.6 Ų1.60%01%0.01CC..Hα-helixtrans-58.7-44.717700000112.8A233 M316 I317 A318 S323 S324A233-G320 WeakPolarHBondContact CB-O 3.49Å; M316-G320 PolarHBondContact O-N 3.08Å; I317-G320 WeakPolarHBondContact O-CA 3.37Å; I317-G320 PolarHBondContact O-N 2.74Å; A318-G320 VanDerWaalsContact C-N 3.26Å; A318-G320 PolarHBondContact O-N 2.92Å; G320-S323 PolarHBondContact O-OG 3.18Å; G320-S324 PolarHBondContact O-N 3.34Å; G320-S324 PolarHBondContact O-OG 3.47Å
321L97.3Very high97Very high4 Ų41.7 Ų1.72%0.0211%0.01CC..Hα-helixtrans-74.2-41.6177.2-66.9167.5000112.6L68 I317 A318 H319 S324 L325 P443 I444 L447L68-L321 HydrophobicContact CD1-CD2 3.55Å; L68-L321 HydrophobicContact CD1-CG 3.78Å; I317-L321 PolarHBondContact O-N 2.84Å; I317-L321 VanDerWaalsContact O-N 3.08Å; A318-L321 PolarHBondContact O-N 3.32Å; H319-L321 VanDerWaalsContact C-N 3.34Å; H319-L321 PolarHBondContact O-N 3.44Å; L321-S324 PolarHBondContact O-OG 2.97Å; L321-S324 VanDerWaalsContact O-OG 3.13Å; L321-L325 WeakPolarHBondContact O-CB 3.46Å; L321-L325 PolarHBondContact O-N 3.36Å; L321-L325 VanDerWaalsContact O-N 3.11Å; L321-P443 HydrophobicContact CD1-CB 4.08Å; L321-I444 HydrophobicContact CB-CD1 3.75Å; L321-I444 HydrophobicContact CB-CG1 3.62Å; L321-I444 HydrophobicContact CD1-CG1 3.75Å; L321-I444 HydrophobicContact CG-CG1 4.3Å; L321-L447 HydrophobicContact CD1-CD1 4.31Å
322T97.5Very high97Very high0 Ų01.8 Ų1.80%01%0.011CC..Hα-helixtrans-69.6-43.2-178.960.30000112.3A318 H319 L325 L326 A365 N374 I444A318-T322 WeakPolarHBondContact O-CG2 3.44Å; A318-T322 PolarHBondContact O-N 3.28Å; A318-T322 PolarHBondContact O-OG1 2.94Å; H319-T322 WeakPolarHBondContact CA-OG1 3.19Å; H319-T322 PolarHBondContact O-N 3.25Å; H319-T322 PolarHBondContact O-OG1 3.35Å; T322-L325 WeakPolarHBondContact O-CB 3.23Å; T322-L325 PolarHBondContact O-N 3.41Å; T322-L326 WeakPolarHBondContact O-CG 3.26Å; T322-L326 PolarHBondContact O-N 2.66Å; T322-A365 HydrophobicContact CG2-CB 3.56Å; T322-N374 WeakPolarHBondContact CG2-ND2 3.32Å; T322-N374 WeakPolarHBondContact CG2-OD1 3.3Å; T322-I444 HydrophobicContact CG2-CD1 3.91Å
323S96.9Very high96.9Very high2 Ų22 Ų21%0.0141%0.012CC..Hα-helixtrans-65.9-40.4179.160.80000112A232 H319 G320 L326 F327A232-S323 WeakPolarHBondContact CB-OG 3.35Å; H319-S323 WeakPolarHBondContact O-CB 3.29Å; H319-S323 PolarHBondContact O-N 3.35Å; H319-S323 PolarHBondContact O-OG 3.48Å; G320-S323 PolarHBondContact O-OG 3.18Å; S323-L326 PolarHBondContact O-N 3.48Å; S323-F327 WeakPolarHBondContact O-CD2 3.43Å; S323-F327 PolarHBondContact O-N 3.48Å
324S97.6Very high96.8Very high0 Ų03.4 Ų3.40%02%0.017CC..Hα-helixtrans-66.2-39.3176.568.10000111.7G320 L321 F327 C328 H440G320-S324 PolarHBondContact O-N 3.34Å; G320-S324 PolarHBondContact O-OG 3.47Å; L321-S324 PolarHBondContact O-OG 2.97Å; L321-S324 VanDerWaalsContact O-OG 3.13Å; S324-F327 PolarHBondContact O-N 2.88Å; S324-C328 PolarHBondContact O-N 2.93Å; S324-C328 PolarHBondContact O-SG 3.43Å; S324-H440 PolarHBondContact OG-CD2 3.07Å; S324-H440 PolarHBondContact OG-NE2 2.92Å
325L97.9Very high96.7Very high0 Ų04.8 Ų4.80%02%0.024CC..Hα-helixtrans-58.6-48.3172.2175.464.2000111.8L321 T322 F327 C328 L329 A362 M437 H440 L441L321-L325 WeakPolarHBondContact O-CB 3.46Å; L321-L325 PolarHBondContact O-N 3.36Å; L321-L325 VanDerWaalsContact O-N 3.11Å; T322-L325 WeakPolarHBondContact O-CB 3.23Å; T322-L325 PolarHBondContact O-N 3.41Å; L325-F327 PolarHBondContact O-N 3.47Å; L325-C328 WeakPolarHBondContact O-CB 3.49Å; L325-C328 PolarHBondContact O-N 3.32Å; L325-C328 VanDerWaalsContact O-N 3.1Å; L325-L329 HydrophobicContact CD1-CD1 4.42Å; L325-L329 HydrophobicContact CD1-CG 4.44Å; L325-L329 HydrophobicContact CG-CD1 4.2Å; L325-L329 WeakPolarHBondContact O-CG 3.26Å; L325-L329 PolarHBondContact O-N 2.96Å; L325-A362 HydrophobicContact CD2-CB 3.47Å; L325-A362 VanDerWaalsContact CD2-CB 3.47Å; L325-A362 HydrophobicContact CG-CB 3.89Å; L325-M437 HydrophobicContact CD1-CB 4.07Å; L325-M437 HydrophobicContact CD1-CG 4.29Å; L325-M437 HydrophobicContact CD1-SD 3.42Å; L325-M437 WeakPolarHBondContact CD1-SD 3.48Å; L325-H440 HydrophobicContact CB-CB 3.93Å; L325-H440 HydrophobicContact CD1-CB 3.79Å; L325-H440 HydrophobicContact CG-CB 4.29Å; L325-L441 HydrophobicContact CD2-CD1 4.05Å; L325-L441 HydrophobicContact CD2-CD2 3.77Å; L325-L441 HydrophobicContact CD2-CG 3.66Å
326L97.8Very high96.5Very high0 Ų06.3 Ų6.30%03%0.03CC..Hα-helixtrans-61.4-41.7178.2-72.9172.2000112.1I286 T322 S323 C328 L329 A330 W359 A362 N366 M410I286-L326 HydrophobicContact CD1-CB 3.89Å; I286-L326 WeakPolarHBondContact CD1-O 3.06Å; I286-L326 HydrophobicContact CG1-CB 4.09Å; I286-L326 HydrophobicContact CG2-CB 3.96Å; I286-L326 HydrophobicContact CG2-CD1 4.5Å; T322-L326 WeakPolarHBondContact O-CG 3.26Å; T322-L326 PolarHBondContact O-N 2.66Å; S323-L326 PolarHBondContact O-N 3.48Å; L326-C328 VanDerWaalsContact C-N 3.28Å; L326-C328 PolarHBondContact O-N 2.75Å; L326-L329 HydrophobicContact CD2-CD1 4.42Å; L326-L329 PolarHBondContact O-N 3.41Å; L326-A330 WeakPolarHBondContact O-CB 3.12Å; L326-A330 PolarHBondContact O-N 3.18Å; L326-W359 HydrophobicContact CD2-CZ3 4.45Å; L326-A362 HydrophobicContact CD2-CB 3.78Å; L326-A362 HydrophobicContact CG-CB 4.4Å; L326-N366 HydrophobicContact CD1-CB 4.08Å; L326-M410 HydrophobicContact CD1-CE 4.27Å; L326-M410 HydrophobicContact CD2-CE 4.31Å; L326-M410 HydrophobicContact CD2-SD 3.83Å
327F98.1Very high96.2Very high0 Ų07.6 Ų7.60%04%0.037CC..Hα-helixtrans-63.4-34.9174.1-81.8-63.7000112.3H220 I225 A232 K283 I286 A287 S323 S324 L325 A330 N331H220-F327 HydrophobicContact CB-CE1 4.12Å; H220-F327 HydrophobicContact CB-CZ 3.87Å; H220-F327 AromaticContact CE1-CE2 3.97Å; H220-F327 AromaticContact CG-CZ 3.76Å; H220-F327 AromaticContact ND1-CE2 3.43Å; H220-F327 WeakPolarHBondContact ND1-CE2 3.32Å; H220-F327 AromaticContact ND1-CZ 3.26Å; H220-F327 VanDerWaalsContact ND1-CZ 3.26Å; H220-F327 WeakPolarHBondContact ND1-CZ 3.49Å; I225-F327 HydrophobicContact CD1-CB 4.01Å; I225-F327 WeakPolarHBondContact CD1-O 3.46Å; A232-F327 HydrophobicContact CB-CD2 3.87Å; A232-F327 HydrophobicContact CB-CE2 3.7Å; K283-F327 HydrophobicContact CB-CE1 4.36Å; K283-F327 HydrophobicContact CG-CD1 4.36Å; K283-F327 HydrophobicContact CG-CE1 4.47Å; I286-F327 HydrophobicContact CB-CD1 4.47Å; I286-F327 HydrophobicContact CB-CE1 4.02Å; I286-F327 HydrophobicContact CB-CE2 4.39Å; I286-F327 HydrophobicContact CB-CZ 3.96Å; I286-F327 HydrophobicContact CD1-CD1 4.39Å; I286-F327 HydrophobicContact CG2-CD1 4.24Å; I286-F327 HydrophobicContact CG2-CD2 3.83Å; I286-F327 HydrophobicContact CG2-CE1 3.97Å; I286-F327 HydrophobicContact CG2-CE2 3.5Å; I286-F327 HydrophobicContact CG2-CG 4.17Å; I286-F327 HydrophobicContact CG2-CZ 3.58Å; A287-F327 HydrophobicContact CB-CZ 4.41Å; S323-F327 WeakPolarHBondContact O-CD2 3.43Å; S323-F327 PolarHBondContact O-N 3.48Å; S324-F327 PolarHBondContact O-N 2.88Å; L325-F327 PolarHBondContact O-N 3.47Å; F327-A330 WeakPolarHBondContact O-CB 3.18Å; F327-N331 WeakPolarHBondContact O-CB 3.36Å; F327-N331 PolarHBondContact O-N 3.05Å
328C97.3Very high95.9Very high4 Ų414.2 Ų14.23%0.0277%0.068CC..Hα-helixtrans-69.9-40.7175.3-690000112.6M229 S324 L325 L326 A330 N331 S332 L436 M437M229-C328 PolarHBondContact SD-SG 3.39Å; S324-C328 PolarHBondContact O-N 2.93Å; S324-C328 PolarHBondContact O-SG 3.43Å; L325-C328 WeakPolarHBondContact O-CB 3.49Å; L325-C328 PolarHBondContact O-N 3.32Å; L325-C328 VanDerWaalsContact O-N 3.1Å; L326-C328 VanDerWaalsContact C-N 3.28Å; L326-C328 PolarHBondContact O-N 2.75Å; C328-A330 VanDerWaalsContact C-N 3.35Å; C328-N331 WeakPolarHBondContact O-CB 3.34Å; C328-N331 PolarHBondContact O-N 2.6Å; C328-N331 VanDerWaalsContact O-N 3.17Å; C328-S332 PolarHBondContact O-N 3.15Å; C328-L436 HydrophobicContact CB-CD2 3.35Å; C328-L436 VanDerWaalsContact SG-CD2 3.52Å; C328-M437 HydrophobicContact CB-CE 3.95Å; C328-M437 HydrophobicContact CB-SD 4.19Å
329L97.6Very high95.6Very high0 Ų015.7 Ų15.70%08%0.078CC..Hα-helixtrans-61.4-44.7173-73.2170.4000110.8L325 L326 N331 S332 N333 M355 W358 W359 A362 M437L325-L329 HydrophobicContact CD1-CD1 4.42Å; L325-L329 HydrophobicContact CD1-CG 4.44Å; L325-L329 HydrophobicContact CG-CD1 4.2Å; L325-L329 WeakPolarHBondContact O-CG 3.26Å; L325-L329 PolarHBondContact O-N 2.96Å; L326-L329 HydrophobicContact CD2-CD1 4.42Å; L326-L329 PolarHBondContact O-N 3.41Å; L329-N331 VanDerWaalsContact C-N 3.27Å; L329-N331 PolarHBondContact O-N 2.98Å; L329-S332 PolarHBondContact O-N 3.48Å; L329-S332 VanDerWaalsContact O-N 3.12Å; L329-S332 PolarHBondContact O-OG 2.97Å; L329-N333 PolarHBondContact O-N 3.43Å; L329-M355 HydrophobicContact CD2-CG 4.41Å; L329-M355 HydrophobicContact CD2-SD 3.54Å; L329-M355 VanDerWaalsContact CD2-SD 3.54Å; L329-W358 HydrophobicContact CD2-CB 3.99Å; L329-W359 HydrophobicContact CB-CD2 4.11Å; L329-W359 HydrophobicContact CB-CE3 4.48Å; L329-W359 HydrophobicContact CB-CH2 3.96Å; L329-W359 HydrophobicContact CB-CZ2 3.58Å; L329-W359 HydrophobicContact CB-CZ3 4.41Å; L329-W359 HydrophobicContact CD1-CD2 3.98Å; L329-W359 HydrophobicContact CD1-CE3 4.18Å; L329-W359 HydrophobicContact CD1-CG 4.18Å; L329-W359 HydrophobicContact CD2-CD2 4.41Å; L329-W359 HydrophobicContact CD2-CG 4.19Å; L329-W359 HydrophobicContact CG-CD2 4.41Å; L329-A362 HydrophobicContact CD1-CB 3.47Å; L329-A362 VanDerWaalsContact CD1-CB 3.47Å; L329-M437 HydrophobicContact CD2-CE 3.77Å; L329-M437 HydrophobicContact CD2-CG 4.14Å; L329-M437 HydrophobicContact CD2-SD 3.66Å; L329-M437 HydrophobicContact CG-CE 4.1Å; L329-M437 HydrophobicContact CG-SD 3.81Å
330A96.9Very high95.4Very high5 Ų518 Ų184%0.0419%0.087CC..Hα-helixtrans-54.8-43.3171.600000112.3L282 K283 I286 L326 F327 C328 N333 Y334L282-A330 HydrophobicContact CD2-CB 3.11Å; K283-A330 HydrophobicContact CG-CB 4.18Å; I286-A330 HydrophobicContact CD1-CB 3.86Å; L326-A330 WeakPolarHBondContact O-CB 3.12Å; L326-A330 PolarHBondContact O-N 3.18Å; F327-A330 WeakPolarHBondContact O-CB 3.18Å; C328-A330 VanDerWaalsContact C-N 3.35Å; A330-N333 PolarHBondContact O-N 3Å; A330-Y334 WeakPolarHBondContact O-CB 3.33Å; A330-Y334 PolarHBondContact O-N 3.39Å
331N96.3Very high95.2Very high13 Ų1321.7 Ų21.77%0.0711%0.106CC..Hα-helixtrans-68.2-34.5179-173.964.1000112.6I225 F327 C328 L329 N333 Y334 E335I225-N331 HydrophobicContact CB-CB 4.23Å; I225-N331 HydrophobicContact CD1-CB 3.74Å; I225-N331 HydrophobicContact CG1-CB 3.85Å; F327-N331 WeakPolarHBondContact O-CB 3.36Å; F327-N331 PolarHBondContact O-N 3.05Å; C328-N331 WeakPolarHBondContact O-CB 3.34Å; C328-N331 PolarHBondContact O-N 2.6Å; C328-N331 VanDerWaalsContact O-N 3.17Å; L329-N331 VanDerWaalsContact C-N 3.27Å; L329-N331 PolarHBondContact O-N 2.98Å; N331-N333 VanDerWaalsContact C-N 3.29Å; N331-N333 PolarHBondContact O-N 3.05Å; N331-Y334 PolarHBondContact O-N 2.92Å; N331-E335 PolarHBondContact ND2-OE1 3.46Å; N331-E335 WeakPolarHBondContact O-CB 3.41Å; N331-E335 WeakPolarHBondContact O-CG 3.45Å; N331-E335 PolarHBondContact O-N 3.43Å
332S95.6Very high95Very high2 Ų221.5 Ų21.51%0.01411%0.105CC..Hα-helixtrans-62-37.7175.676.60000112C328 L329 R336C328-S332 PolarHBondContact O-N 3.15Å; L329-S332 PolarHBondContact O-N 3.48Å; L329-S332 VanDerWaalsContact O-N 3.12Å; L329-S332 PolarHBondContact O-OG 2.97Å; S332-R336 PolarHBondContact O-NH1 2.67Å
333N94.8Very high94.7Very high5 Ų525.6 Ų25.63%0.02713%0.126CC..Hα-helixtrans-70.2-42.8173.1-68.4-1.5000111L329 A330 N331 E335 R336 T337 L348L329-N333 PolarHBondContact O-N 3.43Å; A330-N333 PolarHBondContact O-N 3Å; N331-N333 VanDerWaalsContact C-N 3.29Å; N331-N333 PolarHBondContact O-N 3.05Å; N333-E335 PolarHBondContact O-N 3.07Å; N333-R336 PolarHBondContact O-N 3.21Å; N333-T337 PolarHBondContact O-N 3.2Å; N333-T337 PolarHBondContact O-OG1 2.88Å; N333-L348 WeakPolarHBondContact OD1-CD1 2.99Å
334Y94.3Very high94.4Very high29 Ų2928.9 Ų28.911%0.11414%0.143CC..Hα-helixtrans-64.4-38.7-179.8-177.5-96.5000113.1N138 A330 N331 R336 H338 R340N138-Y334 VanDerWaalsContact ND2-CE1 3.29Å; N138-Y334 WeakPolarHBondContact ND2-CE1 3.33Å; N138-Y334 PolarHBondContact ND2-OH 3.47Å; A330-Y334 WeakPolarHBondContact O-CB 3.33Å; A330-Y334 PolarHBondContact O-N 3.39Å; N331-Y334 PolarHBondContact O-N 2.92Å; Y334-R336 PolarHBondContact O-N 3.38Å; Y334-H338 VanDerWaalsContact O-CA 3.26Å; Y334-H338 WeakPolarHBondContact O-CA 3.31Å; Y334-H338 PolarHBondContact O-N 3.45Å; Y334-R340 HydrophobicContact CD2-CG 3.78Å; Y334-R340 HydrophobicContact CE2-CG 3.85Å
335E93Very high93.8Very high35 Ų3529.1 Ų29.116%0.16414%0.144CC..Hα-helixtrans-64.3-17.9176.8-77.4-176.9-166.600113.2R82 N331 N333 R432R82-E335 VanDerWaalsContact CG-OE2 3.31Å; R82-E335 WeakPolarHBondContact CG-OE2 3.29Å; N331-E335 PolarHBondContact ND2-OE1 3.46Å; N331-E335 WeakPolarHBondContact O-CB 3.41Å; N331-E335 WeakPolarHBondContact O-CG 3.45Å; N331-E335 PolarHBondContact O-N 3.43Å; N333-E335 PolarHBondContact O-N 3.07Å; E335-R432 IonicContact OE1-NH2 3.98Å; E335-R432 PolarHBondContact OE1-NH2 2.9Å; E335-R432 IonicContact OE2-NH2 3.1Å; E335-R432 PolarHBondContact OE2-NH2 3.48Å
336R92.2Very high93.5Very high32 Ų3232 Ų3212%0.12116%0.158CC..Hα-helixtrans-100.9-45.1178.2-64.1174.4173.270.82.9112.9S332 N333 Y334 M426 K427 P428 E433S332-R336 PolarHBondContact O-NH1 2.67Å; N333-R336 PolarHBondContact O-N 3.21Å; Y334-R336 PolarHBondContact O-N 3.38Å; R336-M426 HydrophobicContact CB-CE 4.39Å; R336-M426 HydrophobicContact CB-SD 3.53Å; R336-M426 VanDerWaalsContact CB-SD 3.53Å; R336-M426 HydrophobicContact CG-SD 4.21Å; R336-K427 PolarHBondContact NE-O 3.19Å; R336-K427 PolarHBondContact NH2-O 3.17Å; R336-P428 PolarHBondContact NH2-O 2.95Å; R336-E433 IonicContact CZ-OE1 3.55Å; R336-E433 IonicContact CZ-OE2 3.52Å; R336-E433 IonicContact NH1-OE1 2.82Å; R336-E433 PolarHBondContact NH1-OE1 3.41Å; R336-E433 IonicContact NH1-OE2 3.37Å; R336-E433 PolarHBondContact NH1-OE2 3.14Å; R336-E433 IonicContact NH2-OE1 2.72Å; R336-E433 PolarHBondContact NH2-OE1 3.43Å; R336-E433 IonicContact NH2-OE2 3.96Å; R336-E433 PolarHBondContact NH2-OE2 3.02Å
337T91Very high93.2Very high26 Ų2632 Ų3216%0.1616%0.158CC..Hα-helixtrans-95.4-14.9-172.860.80000113.7N333 S339 I423 M426N333-T337 PolarHBondContact O-N 3.2Å; N333-T337 PolarHBondContact O-OG1 2.88Å; T337-S339 PolarHBondContact O-N 3.33Å; T337-S339 PolarHBondContact OG1-O 2.69Å; T337-I423 HydrophobicContact CG2-CD1 4.24Å; T337-M426 HydrophobicContact CG2-CE 3.43Å; T337-M426 VanDerWaalsContact CG2-CE 3.43Å; T337-M426 HydrophobicContact CG2-SD 4.29Å
338H91.6Very high93Very high142 Ų14232.1 Ų32.166%0.65716%0.159SC*.SBendtrans53.815.5-174-64.8-62.6000115.3Y334Y334-H338 VanDerWaalsContact O-CA 3.26Å; Y334-H338 WeakPolarHBondContact O-CA 3.31Å; Y334-H338 PolarHBondContact O-N 3.45Å
339S90.9Very high92.9Very high31 Ų3136.1 Ų36.122%0.21718%0.177CC..  trans-129.1149.9178.861.90000110.2T337 L344T337-S339 PolarHBondContact O-N 3.33Å; T337-S339 PolarHBondContact OG1-O 2.69Å; S339-L344 VanDerWaalsContact OG-CD1 3.29Å; S339-L344 WeakPolarHBondContact OG-CD1 3.42Å
340R91.8Very high92.7Very high49 Ų4940.9 Ų40.919%0.18521%0.206CC..  trans-95.4-6179.5-60.3-174.3-68.5-151.41.7112.7V221 E222 L282 Y334 M342V221-R340 PolarHBondContact O-NH1 3.3Å; E222-R340 VanDerWaalsContact CD-NH1 3.32Å; E222-R340 IonicContact OE1-CZ 2.93Å; E222-R340 IonicContact OE1-NH1 3.81Å; E222-R340 PolarHBondContact OE1-NH1 2.73Å; E222-R340 VanDerWaalsContact OE1-NH1 3.16Å; E222-R340 IonicContact OE1-NH2 3.37Å; E222-R340 PolarHBondContact OE1-NH2 3.05Å; E222-R340 IonicContact OE2-CZ 3.09Å; E222-R340 IonicContact OE2-NH1 3.28Å; E222-R340 PolarHBondContact OE2-NH1 3.01Å; E222-R340 IonicContact OE2-NH2 3.56Å; L282-R340 PolarHBondContact N-O 3.22Å; Y334-R340 HydrophobicContact CD2-CG 3.78Å; Y334-R340 HydrophobicContact CE2-CG 3.85Å; R340-M342 PolarHBondContact O-N 3.15Å
341I93.6Very high92.5Very high76 Ų7644.5 Ų44.539%0.3923%0.225SC..BIsolated β-bridgetrans-73.2119.8-174.1-60.5165.4000108.7I343 L344I341-I343 VanDerWaalsContact C-N 3.34Å; I341-I343 HydrophobicContact CG2-CB 4.37Å; I341-I343 PolarHBondContact O-N 3.34Å; I341-L344 HydrophobicContact CB-CD1 3.91Å; I341-L344 HydrophobicContact CB-CG 4.09Å; I341-L344 HydrophobicContact CD1-CD1 4Å; I341-L344 HydrophobicContact CG1-CD1 4.48Å; I341-L344 HydrophobicContact CG2-CD1 4.38Å; I341-L344 HydrophobicContact CG2-CG 4.09Å; I341-L344 PolarHBondContact O-N 3.38Å
342M92.6Very high92.4Very high1 Ų144.2 Ų44.21%0.00522%0.223CC..G310 helixtrans-63-38.3-173.9-175.2166.973.400113T280 L282 L285 R340 L344 S345 Y409 T413 T414T280-M342 WeakPolarHBondContact O-CB 3.09Å; T280-M342 PolarHBondContact O-N 2.87Å; L282-M342 HydrophobicContact CB-CB 4.28Å; L282-M342 HydrophobicContact CD1-CG 4.19Å; L285-M342 HydrophobicContact CD1-CE 4.33Å; L285-M342 HydrophobicContact CD1-SD 4.07Å; R340-M342 PolarHBondContact O-N 3.15Å; M342-L344 PolarHBondContact O-N 2.77Å; M342-S345 PolarHBondContact O-N 3.35Å; M342-S345 VanDerWaalsContact O-N 3.12Å; M342-S345 PolarHBondContact O-OG 3.17Å; M342-S345 VanDerWaalsContact O-OG 3.06Å; M342-Y409 HydrophobicContact CE-CD1 3.97Å; M342-Y409 HydrophobicContact CE-CE1 3.23Å; M342-T413 HydrophobicContact CE-CG2 4.14Å; M342-T413 WeakPolarHBondContact CE-OG1 3.32Å; M342-T413 WeakPolarHBondContact CG-OG1 3.47Å; M342-T413 PolarHBondContact SD-OG1 3.37Å; M342-T414 HydrophobicContact CG-CG2 3.8Å
343I90.8Very high92.4Very high85 Ų8548.3 Ų48.344%0.43625%0.25SC..G310 helixtrans-66.7-23.6-178.5-63.8167.7000112I341 S345 Q346I341-I343 VanDerWaalsContact C-N 3.34Å; I341-I343 HydrophobicContact CG2-CB 4.37Å; I341-I343 PolarHBondContact O-N 3.34Å; I343-S345 VanDerWaalsContact C-N 3.29Å; I343-S345 PolarHBondContact O-N 2.92Å; I343-Q346 WeakPolarHBondContact O-CG 3.38Å
344L90.1Very high92.5Very high71 Ų7151.8 Ų51.837%0.37227%0.268SS..G310 helixtrans-73.2-23.1176-70.3176.8000112.5S339 I341 M342 T420 I423S339-L344 VanDerWaalsContact OG-CD1 3.29Å; S339-L344 WeakPolarHBondContact OG-CD1 3.42Å; I341-L344 HydrophobicContact CB-CD1 3.91Å; I341-L344 HydrophobicContact CB-CG 4.09Å; I341-L344 HydrophobicContact CD1-CD1 4Å; I341-L344 HydrophobicContact CG1-CD1 4.48Å; I341-L344 HydrophobicContact CG2-CD1 4.38Å; I341-L344 HydrophobicContact CG2-CG 4.09Å; I341-L344 PolarHBondContact O-N 3.38Å; M342-L344 PolarHBondContact O-N 2.77Å; L344-T420 WeakPolarHBondContact O-CG2 3.27Å; L344-I423 WeakPolarHBondContact O-CD1 3.46Å
345S86.4Confident92.6Very high5 Ų550.5 Ų50.54%0.03526%0.263CS..SBendtrans-105.756.1-176.960.80000111.7M342 I343 T414M342-S345 PolarHBondContact O-N 3.35Å; M342-S345 VanDerWaalsContact O-N 3.12Å; M342-S345 PolarHBondContact O-OG 3.17Å; M342-S345 VanDerWaalsContact O-OG 3.06Å; I343-S345 VanDerWaalsContact C-N 3.29Å; I343-S345 PolarHBondContact O-N 2.92Å; S345-T414 CarbonylContact O-C 3.58Å; S345-T414 WeakPolarHBondContact O-CA 3.48Å
346Q91.6Very high92.8Very high60 Ų6049 Ų4928%0.2826%0.257SS..  trans-89.8154.5179.8-76.5174.5-4.400113I343 L348 T413 T420I343-Q346 WeakPolarHBondContact O-CG 3.38Å; Q346-L348 VanDerWaalsContact C-N 3.28Å; Q346-L348 PolarHBondContact O-N 3.39Å; Q346-T413 VanDerWaalsContact CG-O 3.22Å; Q346-T413 WeakPolarHBondContact CG-O 3.42Å; Q346-T420 HydrophobicContact CB-CG2 4.34Å
347G91.6Very high93Very high1 Ų152.2 Ų52.21%0.0127%0.272CS..  trans67.319.8170.300000115.7Q349 T350 T414 Q415 W416 G417 L419G347-Q349 PolarHBondContact O-N 3.23Å; G347-Q349 VanDerWaalsContact O-N 3.13Å; G347-T350 PolarHBondContact O-N 2.95Å; G347-T350 PolarHBondContact O-OG1 2.89Å; G347-T414 PolarHBondContact N-O 3.08Å; G347-Q415 CarbonylContact C-O 3.27Å; G347-Q415 VanDerWaalsContact C-O 3.27Å; G347-Q415 WeakPolarHBondContact CA-O 3.35Å; G347-W416 WeakPolarHBondContact CA-O 3.46Å; G347-W416 PolarHBondContact N-O 3.48Å; G347-G417 VanDerWaalsContact CA-O 3.32Å; G347-G417 WeakPolarHBondContact CA-O 3.12Å; G347-L419 WeakPolarHBondContact O-CD2 3.28Å
348L93.7Very high93.3Very high3 Ų352.3 Ų52.32%0.01627%0.269CS..G310 helixtrans-64.8-17.6-172.7-66.5179.1000114.5N333 Q346 T350 L351 L352 T414 Q415 M426N333-L348 WeakPolarHBondContact OD1-CD1 2.99Å; Q346-L348 VanDerWaalsContact C-N 3.28Å; Q346-L348 PolarHBondContact O-N 3.39Å; L348-T350 PolarHBondContact O-N 3.4Å; L348-L351 PolarHBondContact O-N 3.49Å; L348-L352 PolarHBondContact O-N 3.35Å; L348-T414 WeakPolarHBondContact CB-O 3.48Å; L348-T414 WeakPolarHBondContact CG-O 3.36Å; L348-T414 PolarHBondContact N-O 3.41Å; L348-Q415 PolarHBondContact N-O 3.27Å; L348-M426 HydrophobicContact CD2-CE 3.54Å
349Q95.3Very high93.6Very high87 Ų8745.5 Ų45.541%0.40724%0.238SC..G310 helixtrans-60.4-34.4178.8-179175.9-4.600112.9G347 L351 A356 Q415G347-Q349 PolarHBondContact O-N 3.23Å; G347-Q349 VanDerWaalsContact O-N 3.13Å; Q349-L351 VanDerWaalsContact C-N 3.3Å; Q349-L351 PolarHBondContact O-N 3.45Å; Q349-A356 HydrophobicContact CB-CB 3.82Å; Q349-A356 HydrophobicContact CG-CB 3.8Å; Q349-Q415 HydrophobicContact CB-CB 4.34Å; Q349-Q415 VanDerWaalsContact CB-O 3.23Å; Q349-Q415 WeakPolarHBondContact CB-O 3.44Å; Q349-Q415 PolarHBondContact N-O 2.97Å
350T92Very high93.9Very high100 Ų10047 Ų4761%0.61324%0.243SC*.G310 helixtrans-69.4-30-179.658.10000112.3G347 L348 L419G347-T350 PolarHBondContact O-N 2.95Å; G347-T350 PolarHBondContact O-OG1 2.89Å; L348-T350 PolarHBondContact O-N 3.4Å; T350-L419 WeakPolarHBondContact OG1-CD1 3.34Å
351L92.4Very high94.2Very high81 Ų8146.8 Ų46.842%0.42425%0.245SC..THydrogen-bonded Turntrans-92.1-38.6179.4-65.9177.9000113.2L348 Q349 L419 M426L348-L351 PolarHBondContact O-N 3.49Å; Q349-L351 VanDerWaalsContact C-N 3.3Å; Q349-L351 PolarHBondContact O-N 3.45Å; L351-L419 HydrophobicContact CD1-CD1 4.32Å; L351-L419 HydrophobicContact CD1-CD2 3.37Å; L351-L419 HydrophobicContact CD1-CG 4.49Å; L351-L419 HydrophobicContact CD2-CD1 4.22Å; L351-L419 HydrophobicContact CG-CD1 4Å; L351-L419 HydrophobicContact CG-CD2 3.73Å; L351-L419 HydrophobicContact CG-CG 4.5Å; L351-M426 HydrophobicContact CD1-CB 3.95Å; L351-M426 HydrophobicContact CD1-CG 3.96Å
352L95.3Very high94.3Very high7 Ų743.1 Ų43.14%0.03723%0.226CC..  trans-129.566.5-169.2-61.4168.9000110.7L348 L354 M355 A356L348-L352 PolarHBondContact O-N 3.35Å; L352-L354 PolarHBondContact O-N 3.16Å; L352-M355 HydrophobicContact CB-CB 3.81Å; L352-M355 PolarHBondContact O-N 2.87Å; L352-A356 PolarHBondContact O-N 3.48Å
353P94.9Very high94.6Very high89 Ų8943.1 Ų43.158%0.57823%0.226SC*.Hα-helixtrans-61.9-38.9-17123.5-34.4000113.2M355 A356 F357P353-M355 VanDerWaalsContact C-N 3.35Å; P353-A356 PolarHBondContact O-N 2.92Å; P353-F357 PolarHBondContact O-N 3.45Å
354L96.8Very high94.8Very high78 Ų7841.1 Ų41.141%0.40822%0.216SC..Hα-helixtrans-68.3-35.3176.2-175.661.7000112L352 F357 W358L352-L354 PolarHBondContact O-N 3.16Å; L354-F357 WeakPolarHBondContact O-CB 3.3Å; L354-F357 PolarHBondContact O-N 3.01Å; L354-W358 PolarHBondContact O-N 2.95Å; L354-W358 VanDerWaalsContact O-N 3.16Å
355M96.7Very high95.1Very high1 Ų137.9 Ų37.91%0.00520%0.2CC..Hα-helixtrans-68.5-38.6174.4-165.860.272.300111.2L329 L352 P353 F357 W358 W359 E433 M437L329-M355 HydrophobicContact CD2-CG 4.41Å; L329-M355 HydrophobicContact CD2-SD 3.54Å; L329-M355 VanDerWaalsContact CD2-SD 3.54Å; L352-M355 HydrophobicContact CB-CB 3.81Å; L352-M355 PolarHBondContact O-N 2.87Å; P353-M355 VanDerWaalsContact C-N 3.35Å; M355-F357 VanDerWaalsContact C-N 3.28Å; M355-F357 PolarHBondContact O-N 2.84Å; M355-W358 WeakPolarHBondContact O-CB 3.17Å; M355-W358 PolarHBondContact O-N 2.68Å; M355-W358 VanDerWaalsContact O-N 3.11Å; M355-W358 HydrophobicContact SD-CB 4.48Å; M355-W359 VanDerWaalsContact O-CD1 3.27Å; M355-W359 PolarHBondContact O-N 3.49Å; M355-E433 HydrophobicContact CE-CB 3.86Å; M355-M437 HydrophobicContact SD-CE 4.23Å; M355-M437 HydrophobicContact SD-CG 4.27Å
356A96.8Very high95.6Very high4 Ų437.7 Ų37.73%0.03320%0.198CC..Hα-helixtrans-62.1-36.1173.800000112.1Q349 L352 P353 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 PolarHBondContact O-N 2.92Å; A356-W359 WeakPolarHBondContact O-CB 3.1Å; A356-W359 PolarHBondContact O-N 2.88Å; A356-L360 WeakPolarHBondContact O-CB 3.5Å; A356-L360 PolarHBondContact O-N 3.21Å; A356-Q415 HydrophobicContact CB-CG 4.37Å
357F96.9Very high95.8Very high100 Ų10035.7 Ų35.744%0.43919%0.19SC..Hα-helixtrans-61.5-42.9170.9178.6-104.4000112.1P353 L354 M355 L360 L361P353-F357 PolarHBondContact O-N 3.45Å; L354-F357 WeakPolarHBondContact O-CB 3.3Å; L354-F357 PolarHBondContact O-N 3.01Å; M355-F357 VanDerWaalsContact C-N 3.28Å; M355-F357 PolarHBondContact O-N 2.84Å; F357-L360 WeakPolarHBondContact O-CB 3.23Å; F357-L360 PolarHBondContact O-N 2.98Å; F357-L361 HydrophobicContact CD1-CD1 4.05Å; F357-L361 HydrophobicContact CE1-CD1 3.37Å; F357-L361 HydrophobicContact CE1-CG 4.13Å; F357-L361 HydrophobicContact CE2-CD1 4.31Å; F357-L361 HydrophobicContact CE2-CG 4.29Å; F357-L361 HydrophobicContact CZ-CD1 3.53Å; F357-L361 HydrophobicContact CZ-CD2 4.31Å; F357-L361 HydrophobicContact CZ-CG 3.98Å; F357-L361 PolarHBondContact O-N 2.97Å
358W97.8Very high96Very high27 Ų2735.9 Ų35.910%0.10219%0.191CC..Hα-helixtrans-63.3-40.2173.6-59.4130.8000112.7L329 L354 M355 L360 L361 A362 N434 M437 F438 L441L329-W358 HydrophobicContact CD2-CB 3.99Å; L354-W358 PolarHBondContact O-N 2.95Å; L354-W358 VanDerWaalsContact O-N 3.16Å; M355-W358 WeakPolarHBondContact O-CB 3.17Å; M355-W358 PolarHBondContact O-N 2.68Å; M355-W358 VanDerWaalsContact O-N 3.11Å; M355-W358 HydrophobicContact SD-CB 4.48Å; W358-L360 VanDerWaalsContact C-N 3.33Å; W358-L361 HydrophobicContact CE3-CD1 4.19Å; W358-L361 HydrophobicContact CZ3-CD1 4.27Å; W358-L361 PolarHBondContact O-N 3.39Å; W358-A362 VanDerWaalsContact O-CB 3.29Å; W358-A362 WeakPolarHBondContact O-CB 3.41Å; W358-A362 PolarHBondContact O-N 2.9Å; 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 3.63Å; W358-M437 HydrophobicContact CD2-CG 4.41Å; W358-M437 HydrophobicContact CE3-CB 4.16Å; W358-M437 HydrophobicContact CG-CB 3.59Å; W358-M437 HydrophobicContact CG-CG 3.85Å; W358-F438 HydrophobicContact CH2-CB 3.94Å; W358-F438 HydrophobicContact CH2-CD2 4.07Å; W358-F438 HydrophobicContact CZ2-CB 4.24Å; W358-L441 HydrophobicContact CD2-CD1 4.31Å; W358-L441 HydrophobicContact CE3-CD1 3.19Å; W358-L441 HydrophobicContact CZ3-CD1 3.49Å; W358-L441 VanDerWaalsContact CZ3-CD1 3.49Å
359W97.8Very high96Very high0 Ų039.1 Ų39.10%021%0.208CC..Hα-helixtrans-60.6-41.1172.5-87.3102.3000112.6L282 L326 L329 M355 A356 S363 M410 F411 Q415L282-W359 HydrophobicContact CD1-CH2 3.79Å; L282-W359 HydrophobicContact CD1-CZ2 4.41Å; L282-W359 HydrophobicContact CD2-CH2 4.01Å; L282-W359 HydrophobicContact CG-CH2 4.41Å; L326-W359 HydrophobicContact CD2-CZ3 4.45Å; L329-W359 HydrophobicContact CB-CD2 4.11Å; L329-W359 HydrophobicContact CB-CE3 4.48Å; L329-W359 HydrophobicContact CB-CH2 3.96Å; L329-W359 HydrophobicContact CB-CZ2 3.58Å; L329-W359 HydrophobicContact CB-CZ3 4.41Å; L329-W359 HydrophobicContact CD1-CD2 3.98Å; L329-W359 HydrophobicContact CD1-CE3 4.18Å; L329-W359 HydrophobicContact CD1-CG 4.18Å; L329-W359 HydrophobicContact CD2-CD2 4.41Å; L329-W359 HydrophobicContact CD2-CG 4.19Å; L329-W359 HydrophobicContact CG-CD2 4.41Å; M355-W359 VanDerWaalsContact O-CD1 3.27Å; M355-W359 PolarHBondContact O-N 3.49Å; A356-W359 WeakPolarHBondContact O-CB 3.1Å; A356-W359 PolarHBondContact O-N 2.88Å; W359-S363 WeakPolarHBondContact O-CB 3.33Å; W359-S363 PolarHBondContact O-N 3.22Å; W359-S363 PolarHBondContact O-OG 3.11Å; W359-M410 HydrophobicContact CE3-SD 4.34Å; W359-M410 HydrophobicContact CZ3-CG 3.99Å; W359-M410 HydrophobicContact CZ3-SD 3.63Å; W359-F411 HydrophobicContact CB-CD2 3.97Å; W359-F411 HydrophobicContact CB-CE2 4Å; W359-Q415 HydrophobicContact CB-CG 3.81Å; W359-Q415 HydrophobicContact CG-CG 4.01Å
360L97.5Very high95.7Very high62 Ų6239 Ų3933%0.32521%0.214SC..Hα-helixtrans-63.1-52.1176.8-176.371.3000110.2A356 F357 W358 A362 S363 L364 F411A356-L360 WeakPolarHBondContact O-CB 3.5Å; A356-L360 PolarHBondContact O-N 3.21Å; F357-L360 WeakPolarHBondContact O-CB 3.23Å; F357-L360 PolarHBondContact O-N 2.98Å; W358-L360 VanDerWaalsContact C-N 3.33Å; L360-A362 VanDerWaalsContact C-N 3.32Å; L360-A362 PolarHBondContact O-N 3.43Å; L360-S363 WeakPolarHBondContact CA-OG 3.43Å; L360-S363 PolarHBondContact O-N 2.68Å; L360-S363 PolarHBondContact O-OG 3.22Å; L360-L364 HydrophobicContact CD1-CD1 4.38Å; L360-L364 HydrophobicContact CD1-CG 4.46Å; L360-L364 HydrophobicContact CG-CD1 3.97Å; L360-L364 HydrophobicContact CG-CG 4.41Å; L360-L364 WeakPolarHBondContact O-CB 3.36Å; L360-L364 VanDerWaalsContact O-CG 3.24Å; L360-L364 WeakPolarHBondContact O-CG 3.01Å; L360-L364 PolarHBondContact O-N 2.71Å; L360-F411 HydrophobicContact CB-CD2 4.47Å; L360-F411 HydrophobicContact CB-CE2 3.7Å; L360-F411 HydrophobicContact CB-CZ 4.02Å; L360-F411 HydrophobicContact CD1-CE1 3.97Å; L360-F411 HydrophobicContact CD1-CE2 4.06Å; L360-F411 HydrophobicContact CD1-CZ 3.74Å; L360-F411 HydrophobicContact CG-CZ 4.45Å
361L96.9Very high95.6Very high44 Ų4439.4 Ų39.423%0.2322%0.219CC..Hα-helixtrans-60.9-40.7178.8-70.4-179.3000112.6F357 W358 A365 L441F357-L361 HydrophobicContact CD1-CD1 4.05Å; F357-L361 HydrophobicContact CE1-CD1 3.37Å; F357-L361 HydrophobicContact CE1-CG 4.13Å; F357-L361 HydrophobicContact CE2-CD1 4.31Å; F357-L361 HydrophobicContact CE2-CG 4.29Å; F357-L361 HydrophobicContact CZ-CD1 3.53Å; F357-L361 HydrophobicContact CZ-CD2 4.31Å; F357-L361 HydrophobicContact CZ-CG 3.98Å; F357-L361 PolarHBondContact O-N 2.97Å; W358-L361 HydrophobicContact CE3-CD1 4.19Å; W358-L361 HydrophobicContact CZ3-CD1 4.27Å; W358-L361 PolarHBondContact O-N 3.39Å; L361-A365 WeakPolarHBondContact O-CB 3.4Å; L361-A365 PolarHBondContact O-N 2.85Å; L361-L441 HydrophobicContact CB-CD1 3.93Å; L361-L441 HydrophobicContact CB-CD2 3.96Å; L361-L441 HydrophobicContact CD1-CD1 3.87Å
362A97.1Very high95.6Very high0 Ų036.6 Ų36.60%021%0.205CC..Hα-helixtrans-65.3-41.6177.300000112.4L325 L326 L329 W358 L360 A365 N366L325-A362 HydrophobicContact CD2-CB 3.47Å; L325-A362 VanDerWaalsContact CD2-CB 3.47Å; L325-A362 HydrophobicContact CG-CB 3.89Å; L326-A362 HydrophobicContact CD2-CB 3.78Å; L326-A362 HydrophobicContact CG-CB 4.4Å; L329-A362 HydrophobicContact CD1-CB 3.47Å; L329-A362 VanDerWaalsContact CD1-CB 3.47Å; W358-A362 VanDerWaalsContact O-CB 3.29Å; W358-A362 WeakPolarHBondContact O-CB 3.41Å; W358-A362 PolarHBondContact O-N 2.9Å; L360-A362 VanDerWaalsContact C-N 3.32Å; L360-A362 PolarHBondContact O-N 3.43Å; A362-A365 PolarHBondContact O-N 3.19Å; A362-N366 WeakPolarHBondContact O-CB 3.18Å; A362-N366 PolarHBondContact O-N 3.17Å
363S97.4Very high95.6Very high0 Ų036.3 Ų36.30%020%0.203CC..Hα-helixtrans-68.2-41.6177.156.20000111.8W359 L360 A365 N366 L367W359-S363 WeakPolarHBondContact O-CB 3.33Å; W359-S363 PolarHBondContact O-N 3.22Å; W359-S363 PolarHBondContact O-OG 3.11Å; L360-S363 WeakPolarHBondContact CA-OG 3.43Å; L360-S363 PolarHBondContact O-N 2.68Å; L360-S363 PolarHBondContact O-OG 3.22Å; S363-A365 PolarHBondContact O-N 3.05Å; S363-N366 PolarHBondContact O-N 3.43Å; S363-N366 VanDerWaalsContact O-N 3.16Å; S363-L367 WeakPolarHBondContact O-CG 3.2Å; S363-L367 PolarHBondContact O-N 2.97Å
364L96.6Very high95.6Very high44 Ų4432 Ų3223%0.2318%0.176CC..Hα-helixtrans-61.2-41.3173.6-69.6174.5000112.4L360 L367 A368 L369L360-L364 HydrophobicContact CD1-CD1 4.38Å; L360-L364 HydrophobicContact CD1-CG 4.46Å; L360-L364 HydrophobicContact CG-CD1 3.97Å; L360-L364 HydrophobicContact CG-CG 4.41Å; L360-L364 WeakPolarHBondContact O-CB 3.36Å; L360-L364 VanDerWaalsContact O-CG 3.24Å; L360-L364 WeakPolarHBondContact O-CG 3.01Å; L360-L364 PolarHBondContact O-N 2.71Å; L364-L367 HydrophobicContact CD2-CD2 4.42Å; L364-L367 WeakPolarHBondContact O-CG 3.43Å; L364-A368 PolarHBondContact O-N 3.24Å; L364-L369 HydrophobicContact CB-CB 4.29Å; L364-L369 HydrophobicContact CB-CD2 4.35Å; L364-L369 HydrophobicContact CD1-CD2 4.31Å; L364-L369 HydrophobicContact CD2-CD1 4.24Å; L364-L369 HydrophobicContact CD2-CD2 4.22Å; L364-L369 WeakPolarHBondContact O-CB 3.47Å; L364-L369 PolarHBondContact O-N 3.27Å
365A95.8Very high95.5Very high3 Ų330.4 Ų30.43%0.02517%0.167CC..Hα-helixtrans-67.2-37.5174.200000111.6T322 L361 A362 S363 A368 N374T322-A365 HydrophobicContact CG2-CB 3.56Å; L361-A365 WeakPolarHBondContact O-CB 3.4Å; L361-A365 PolarHBondContact O-N 2.85Å; A362-A365 PolarHBondContact O-N 3.19Å; S363-A365 PolarHBondContact O-N 3.05Å; A365-A368 PolarHBondContact O-N 3.15Å; A365-N374 VanDerWaalsContact O-CB 3.28Å; A365-N374 WeakPolarHBondContact O-CB 3.26Å; A365-N374 PolarHBondContact O-ND2 3.19Å
366N96.8Very high95.4Very high0 Ų033.8 Ų33.80%019%0.185CC..Hα-helixtrans-69.4-29.9179.6-167.727.9000114.1H293 L326 A362 S363 A368H293-N366 PolarHBondContact NE2-O 2.72Å; H293-N366 PolarHBondContact NE2-OD1 3.12Å; L326-N366 HydrophobicContact CD1-CB 4.08Å; A362-N366 WeakPolarHBondContact O-CB 3.18Å; A362-N366 PolarHBondContact O-N 3.17Å; S363-N366 PolarHBondContact O-N 3.43Å; S363-N366 VanDerWaalsContact O-N 3.16Å; N366-A368 VanDerWaalsContact C-N 3.27Å
367L95.5Very high95.3Very high19 Ų1933.6 Ų33.610%0.09918%0.184CC..THydrogen-bonded Turntrans-88.38.8172.56482.1000113.9S363 L364 L369 T404 S407 L408S363-L367 WeakPolarHBondContact O-CG 3.2Å; S363-L367 PolarHBondContact O-N 2.97Å; L364-L367 HydrophobicContact CD2-CD2 4.42Å; L364-L367 WeakPolarHBondContact O-CG 3.43Å; L367-L369 HydrophobicContact CD1-CB 4Å; L367-L369 HydrophobicContact CD1-CD1 4.27Å; L367-T404 HydrophobicContact CB-CG2 4.17Å; L367-S407 WeakPolarHBondContact CB-OG 3.46Å; L367-L408 HydrophobicContact CD2-CD2 4.11Å; L367-L408 HydrophobicContact CD2-CG 4.15Å
368A95.3Very high95.2Very high4 Ų429.1 Ų29.13%0.03316%0.164CC..THydrogen-bonded Turntrans58.154.8178.900000113.9L364 A365 N366 N374 L375 E378 M400L364-A368 PolarHBondContact O-N 3.24Å; A365-A368 PolarHBondContact O-N 3.15Å; N366-A368 VanDerWaalsContact C-N 3.27Å; A368-N374 HydrophobicContact CB-CB 4.03Å; A368-L375 HydrophobicContact CB-CB 4.07Å; A368-L375 HydrophobicContact CB-CD1 4.27Å; A368-L375 WeakPolarHBondContact O-CB 3.37Å; A368-L375 WeakPolarHBondContact O-CD1 3.28Å; A368-E378 HydrophobicContact CB-CG 4.49Å; A368-E378 WeakPolarHBondContact CB-OE2 3.4Å; A368-M400 HydrophobicContact CB-CE 4.36Å
369L94.1Very high95.1Very high72 Ų7232.4 Ų32.438%0.37718%0.183SC..  trans-66.8136.3174-168.885.7000111.2L364 L367 T372L364-L369 HydrophobicContact CB-CB 4.29Å; L364-L369 HydrophobicContact CB-CD2 4.35Å; L364-L369 HydrophobicContact CD1-CD2 4.31Å; L364-L369 HydrophobicContact CD2-CD1 4.24Å; L364-L369 HydrophobicContact CD2-CD2 4.22Å; L364-L369 WeakPolarHBondContact O-CB 3.47Å; L364-L369 PolarHBondContact O-N 3.27Å; L367-L369 HydrophobicContact CD1-CB 4Å; L367-L369 HydrophobicContact CD1-CD1 4.27Å; L369-T372 VanDerWaalsContact O-CB 3.28Å; L369-T372 WeakPolarHBondContact O-CB 3.43Å; L369-T372 VanDerWaalsContact O-CG2 3.31Å; L369-T372 WeakPolarHBondContact O-CG2 3.23Å; L369-T372 PolarHBondContact O-N 3.09Å; L369-T372 PolarHBondContact O-OG1 3.33Å
370P89.6Confident95Very high83 Ų8332.8 Ų32.854%0.53919%0.186SC..THydrogen-bonded Turntrans-63.4138.6167.824-31.4000110.8L375P370-L375 HydrophobicContact CB-CD2 3.54Å; P370-L375 HydrophobicContact CG-CD2 4.18Å
371P89Confident94.9Very high109 Ų10929.9 Ų29.971%0.70817%0.17SC*.THydrogen-bonded Turncis-99.331.45.139.3-36.4000114.6S448P371-S448 WeakPolarHBondContact O-CB 3.37Å
372T93.4Very high94.9Very high22 Ų2230 Ų3014%0.13517%0.171CC..SBendtrans-66.1151.8-175.965.20000113.2L369 N374 L375 L376L369-T372 VanDerWaalsContact O-CB 3.28Å; L369-T372 WeakPolarHBondContact O-CB 3.43Å; L369-T372 VanDerWaalsContact O-CG2 3.31Å; L369-T372 WeakPolarHBondContact O-CG2 3.23Å; L369-T372 PolarHBondContact O-N 3.09Å; L369-T372 PolarHBondContact O-OG1 3.33Å; T372-N374 PolarHBondContact O-N 2.9Å; T372-L375 WeakPolarHBondContact O-CB 3.29Å; T372-L375 PolarHBondContact O-N 3.3Å; T372-L375 VanDerWaalsContact O-N 3.09Å; T372-L376 PolarHBondContact O-N 3.32Å
373I94.6Very high94.8Very high1 Ų133.2 Ų33.21%0.00519%0.191CC..Hα-helixtrans-60.9-24.8175.149.5167.4000113.5I314 A318 L375 L376 G377 I444 L447 I454I314-I373 HydrophobicContact CG2-CB 4.42Å; I314-I373 VanDerWaalsContact CG2-O 3.23Å; I314-I373 WeakPolarHBondContact CG2-O 3.22Å; A318-I373 HydrophobicContact CB-CB 4.13Å; A318-I373 HydrophobicContact CB-CD1 3.69Å; A318-I373 HydrophobicContact CB-CG1 3.68Å; I373-L375 VanDerWaalsContact C-N 3.33Å; I373-L375 PolarHBondContact O-N 3.09Å; I373-L376 PolarHBondContact O-N 3.39Å; I373-G377 PolarHBondContact O-N 3.14Å; I373-G377 VanDerWaalsContact O-N 3.08Å; I373-I444 HydrophobicContact CD1-CG2 4.44Å; I373-I444 HydrophobicContact CG1-CG2 4.13Å; I373-L447 HydrophobicContact CD1-CB 4.15Å; I373-L447 HydrophobicContact CD1-CD1 4.09Å; I373-L447 HydrophobicContact CG2-CB 3.96Å; I373-I454 HydrophobicContact CB-CD1 4.25Å; I373-I454 HydrophobicContact CD1-CD1 4.43Å; I373-I454 HydrophobicContact CG2-CD1 3.86Å
374N95.5Very high94.8Very high0 Ų033.4 Ų33.40%019%0.192CC..Hα-helixtrans-59-46.1173-74.956.3000110.6A318 T322 A365 A368 T372 G377 E378A318-N374 HydrophobicContact CB-CB 4.45Å; A318-N374 VanDerWaalsContact CB-OD1 3.29Å; A318-N374 WeakPolarHBondContact CB-OD1 3.36Å; T322-N374 WeakPolarHBondContact CG2-ND2 3.32Å; T322-N374 WeakPolarHBondContact CG2-OD1 3.3Å; A365-N374 VanDerWaalsContact O-CB 3.28Å; A365-N374 WeakPolarHBondContact O-CB 3.26Å; A365-N374 PolarHBondContact O-ND2 3.19Å; A368-N374 HydrophobicContact CB-CB 4.03Å; T372-N374 PolarHBondContact O-N 2.9Å; N374-G377 PolarHBondContact O-N 3.23Å; N374-E378 WeakPolarHBondContact O-CG 3.46Å; N374-E378 PolarHBondContact O-N 3.27Å
375L95.1Very high94.8Very high43 Ų4331.4 Ų31.423%0.22518%0.181CC..Hα-helixtrans-64.3-42.2176.7-175.570.2000112A368 P370 T372 I373 G377 E378 L379A368-L375 HydrophobicContact CB-CB 4.07Å; A368-L375 HydrophobicContact CB-CD1 4.27Å; A368-L375 WeakPolarHBondContact O-CB 3.37Å; A368-L375 WeakPolarHBondContact O-CD1 3.28Å; P370-L375 HydrophobicContact CB-CD2 3.54Å; P370-L375 HydrophobicContact CG-CD2 4.18Å; T372-L375 WeakPolarHBondContact O-CB 3.29Å; T372-L375 PolarHBondContact O-N 3.3Å; T372-L375 VanDerWaalsContact O-N 3.09Å; I373-L375 VanDerWaalsContact C-N 3.33Å; I373-L375 PolarHBondContact O-N 3.09Å; L375-G377 VanDerWaalsContact C-N 3.25Å; L375-G377 PolarHBondContact O-N 3.44Å; L375-E378 PolarHBondContact O-N 2.96Å; L375-L379 WeakPolarHBondContact O-CB 3.1Å; L375-L379 PolarHBondContact O-N 3.27Å
376L94Very high94.8Very high73 Ų7335.3 Ų35.338%0.38220%0.198SC..Hα-helixtrans-57.1-43.3179-170.680.3000111.1I314 T372 I373 S380 P451I314-L376 HydrophobicContact CD1-CD2 3.65Å; I314-L376 HydrophobicContact CD1-CG 4.1Å; I314-L376 HydrophobicContact CG1-CD2 4.36Å; I314-L376 HydrophobicContact CG2-CB 4.16Å; I314-L376 HydrophobicContact CG2-CD2 4.09Å; I314-L376 HydrophobicContact CG2-CG 4.41Å; T372-L376 PolarHBondContact O-N 3.32Å; I373-L376 PolarHBondContact O-N 3.39Å; L376-S380 WeakPolarHBondContact O-CB 3.25Å; L376-S380 PolarHBondContact O-N 3.31Å; L376-S380 PolarHBondContact O-OG 3.44Å; L376-P451 HydrophobicContact CD2-CB 3.49Å; L376-P451 VanDerWaalsContact CD2-CB 3.49Å; L376-P451 HydrophobicContact CD2-CG 4.23Å
377G94.8Very high94.8Very high0 Ų039.4 Ų39.40%023%0.226CC..Hα-helixtrans-67.7-48.617500000113.2I373 N374 L375 L379 S380 V381I373-G377 PolarHBondContact O-N 3.14Å; I373-G377 VanDerWaalsContact O-N 3.08Å; N374-G377 PolarHBondContact O-N 3.23Å; L375-G377 VanDerWaalsContact C-N 3.25Å; L375-G377 PolarHBondContact O-N 3.44Å; G377-L379 PolarHBondContact O-N 3.37Å; G377-S380 PolarHBondContact O-OG 2.9Å; G377-V381 VanDerWaalsContact O-CG2 3.32Å; G377-V381 WeakPolarHBondContact O-CG2 3.45Å; G377-V381 PolarHBondContact O-N 3.4Å; G377-V381 VanDerWaalsContact O-N 3.13Å
378E95.6Very high94.8Very high5 Ų543 Ų432%0.02324%0.239CC..Hα-helixtrans-65.6-39.8-178.7-71.3177.3-162.800112.5H293 L296 L315 A368 N374 L375 V381 L382 M400H293-E378 IonicContact CE1-OE1 3.39Å; H293-E378 PolarHBondContact CE1-OE1 3.35Å; H293-E378 IonicContact ND1-OE1 3.84Å; H293-E378 PolarHBondContact ND1-OE1 3.11Å; L296-E378 HydrophobicContact CD1-CG 4.31Å; L315-E378 HydrophobicContact CD1-CG 3.6Å; A368-E378 HydrophobicContact CB-CG 4.49Å; A368-E378 WeakPolarHBondContact CB-OE2 3.4Å; N374-E378 WeakPolarHBondContact O-CG 3.46Å; N374-E378 PolarHBondContact O-N 3.27Å; L375-E378 PolarHBondContact O-N 2.96Å; E378-V381 PolarHBondContact O-N 2.96Å; E378-L382 WeakPolarHBondContact O-CB 3.36Å; E378-L382 PolarHBondContact O-N 2.96Å; E378-M400 HydrophobicContact CB-SD 4.36Å; E378-M400 WeakPolarHBondContact OE2-CE 3.3Å
379L95.3Very high94.9Very high96 Ų9644.5 Ų44.550%0.50325%0.249SC..Hα-helixtrans-69-40.9-179.6-172.2144.4000111.8L375 G377 L382 V383L375-L379 WeakPolarHBondContact O-CB 3.1Å; L375-L379 PolarHBondContact O-N 3.27Å; G377-L379 PolarHBondContact O-N 3.37Å; L379-L382 PolarHBondContact O-N 3.18Å; L379-V383 HydrophobicContact CD2-CG2 4.13Å; L379-V383 WeakPolarHBondContact O-CG2 3.44Å; L379-V383 PolarHBondContact O-N 3.44Å
380S94.9Very high95Very high9 Ų946.5 Ų46.56%0.06326%0.26CS..Hα-helixtrans-65.4-38.4175.246.80000112.1G311 L376 G377 T384G311-S380 WeakPolarHBondContact CA-OG 3.19Å; L376-S380 WeakPolarHBondContact O-CB 3.25Å; L376-S380 PolarHBondContact O-N 3.31Å; L376-S380 PolarHBondContact O-OG 3.44Å; G377-S380 PolarHBondContact O-OG 2.9Å; S380-T384 VanDerWaalsContact O-CG2 3.25Å; S380-T384 WeakPolarHBondContact O-CG2 3.31Å; S380-T384 PolarHBondContact O-N 3.24Å; S380-T384 VanDerWaalsContact O-N 3.1Å; S380-T384 PolarHBondContact O-OG1 3Å
381V96.2Very high95.2Very high0 Ų049 Ų490%027%0.267CS..Hα-helixtrans-65-38.9170.9176.30000111.5L296 A300 G377 E378 T384 T385L296-V381 HydrophobicContact CB-CG1 4.3Å; L296-V381 HydrophobicContact CD2-CG1 4.08Å; A300-V381 HydrophobicContact CB-CB 4.43Å; A300-V381 HydrophobicContact CB-CG1 4Å; A300-V381 HydrophobicContact CB-CG2 3.67Å; G377-V381 VanDerWaalsContact O-CG2 3.32Å; G377-V381 WeakPolarHBondContact O-CG2 3.45Å; G377-V381 PolarHBondContact O-N 3.4Å; G377-V381 VanDerWaalsContact O-N 3.13Å; E378-V381 PolarHBondContact O-N 2.96Å; V381-T384 WeakPolarHBondContact CA-OG1 3.49Å; V381-T384 PolarHBondContact O-N 3.09Å; V381-T384 PolarHBondContact O-OG1 2.91Å; V381-T385 HydrophobicContact CG1-CG2 4.15Å; V381-T385 WeakPolarHBondContact O-CB 3.35Å; V381-T385 VanDerWaalsContact O-CG2 3.26Å; V381-T385 WeakPolarHBondContact O-CG2 3.23Å; V381-T385 PolarHBondContact O-N 2.97Å; V381-T385 PolarHBondContact O-OG1 2.88Å
382L96.1Very high95.6Very high46 Ų4644 Ų4424%0.24124%0.235CC..Hα-helixtrans-65.2-45.5177.6-171.9155.2000111.9E378 L379 T384 T385 F386 L393E378-L382 WeakPolarHBondContact O-CB 3.36Å; E378-L382 PolarHBondContact O-N 2.96Å; L379-L382 PolarHBondContact O-N 3.18Å; L382-T384 VanDerWaalsContact C-N 3.32Å; L382-T384 PolarHBondContact O-N 3.13Å; L382-T385 WeakPolarHBondContact CA-OG1 2.88Å; L382-T385 PolarHBondContact O-OG1 3.29Å; L382-F386 VanDerWaalsContact O-CB 3.29Å; L382-F386 WeakPolarHBondContact O-CB 3.48Å; L382-F386 PolarHBondContact O-N 2.99Å; L382-L393 HydrophobicContact CD2-CD1 3.6Å; L382-L393 HydrophobicContact CG-CD1 4.22Å
383V96.2Very high95.7Very high68 Ų6846.6 Ų46.641%0.41225%0.248SC..Hα-helixtrans-61.8-42.1177.5171.30000111L379 F386 S387L379-V383 HydrophobicContact CD2-CG2 4.13Å; L379-V383 WeakPolarHBondContact O-CG2 3.44Å; L379-V383 PolarHBondContact O-N 3.44Å; V383-F386 PolarHBondContact O-N 3.14Å; V383-S387 PolarHBondContact O-N 3.44Å
384T96.1Very high95.8Very high4 Ų452.2 Ų52.23%0.02528%0.277CS..Hα-helixtrans-73-40.7-178.152.40000112.7T305 W307 S308 S380 V381 L382 F386 S387 W388T305-T384 WeakPolarHBondContact OG1-CG2 3.12Å; W307-T384 HydrophobicContact CB-CG2 3.3Å; S308-T384 WeakPolarHBondContact CB-OG1 3.13Å; S380-T384 VanDerWaalsContact O-CG2 3.25Å; S380-T384 WeakPolarHBondContact O-CG2 3.31Å; S380-T384 PolarHBondContact O-N 3.24Å; S380-T384 VanDerWaalsContact O-N 3.1Å; S380-T384 PolarHBondContact O-OG1 3Å; V381-T384 WeakPolarHBondContact CA-OG1 3.49Å; V381-T384 PolarHBondContact O-N 3.09Å; V381-T384 PolarHBondContact O-OG1 2.91Å; L382-T384 VanDerWaalsContact C-N 3.32Å; L382-T384 PolarHBondContact O-N 3.13Å; T384-F386 VanDerWaalsContact C-N 3.34Å; T384-S387 PolarHBondContact O-N 3.32Å; T384-S387 PolarHBondContact O-OG 2.98Å; T384-W388 PolarHBondContact O-N 3.08Å
385T96.2Very high95.8Very high2 Ų254.3 Ų54.31%0.01229%0.288CS..Hα-helixtrans-62.5-42.4172.252.50000111.1I303 V381 L382 S387 W388 S389 T392I303-T385 HydrophobicContact CD1-CG2 3.57Å; V381-T385 HydrophobicContact CG1-CG2 4.15Å; V381-T385 WeakPolarHBondContact O-CB 3.35Å; V381-T385 VanDerWaalsContact O-CG2 3.26Å; V381-T385 WeakPolarHBondContact O-CG2 3.23Å; V381-T385 PolarHBondContact O-N 2.97Å; V381-T385 PolarHBondContact O-OG1 2.88Å; L382-T385 WeakPolarHBondContact CA-OG1 2.88Å; L382-T385 PolarHBondContact O-OG1 3.29Å; T385-S387 VanDerWaalsContact C-N 3.32Å; T385-S387 PolarHBondContact O-N 3.18Å; T385-W388 WeakPolarHBondContact O-CB 3.46Å; T385-W388 PolarHBondContact O-N 3.27Å; T385-W388 VanDerWaalsContact O-N 3.07Å; T385-S389 PolarHBondContact O-N 3.38Å; T385-T392 PolarHBondContact O-OG1 3.19Å
386F96.8Very high95.8Very high86 Ų8652.4 Ų52.438%0.37728%0.278SS..Hα-helixtrans-58.7-43.4173.5177.9-113.1000112.2L382 V383 T384 W388 S389 N390 L393L382-F386 VanDerWaalsContact O-CB 3.29Å; L382-F386 WeakPolarHBondContact O-CB 3.48Å; L382-F386 PolarHBondContact O-N 2.99Å; V383-F386 PolarHBondContact O-N 3.14Å; T384-F386 VanDerWaalsContact C-N 3.34Å; F386-W388 VanDerWaalsContact C-N 3.26Å; F386-W388 PolarHBondContact O-N 3.43Å; F386-S389 CarbonylContact O-C 3.48Å; F386-S389 PolarHBondContact O-N 3.46Å; F386-N390 HydrophobicContact CD2-CB 4.45Å; F386-N390 HydrophobicContact CE2-CB 3.99Å; F386-N390 PolarHBondContact O-OD1 2.95Å; F386-L393 HydrophobicContact CD2-CB 3.85Å; F386-L393 HydrophobicContact CD2-CD2 4.09Å; F386-L393 HydrophobicContact CD2-CG 4.42Å; F386-L393 HydrophobicContact CE2-CB 4.45Å; F386-L393 HydrophobicContact CE2-CD2 4.05Å
387S96.8Very high95.9Very high85 Ų8550.5 Ų50.559%0.59428%0.276SS*.Hα-helixtrans-64.5-30.1175.4780000113.2V383 T384 T385V383-S387 PolarHBondContact O-N 3.44Å; T384-S387 PolarHBondContact O-N 3.32Å; T384-S387 PolarHBondContact O-OG 2.98Å; T385-S387 VanDerWaalsContact C-N 3.32Å; T385-S387 PolarHBondContact O-N 3.18Å
388W96Very high95.9Very high95 Ų9554.1 Ų54.136%0.3630%0.295SS..Hα-helixtrans-73.3-44176.2179.983.8000111.6Y259 L262 I303 T384 T385 F386 T392Y259-W388 HydrophobicContact CD1-CH2 4.15Å; Y259-W388 AromaticContact CD1-CZ2 3.94Å; Y259-W388 HydrophobicContact CD1-CZ2 3.94Å; Y259-W388 AromaticContact CE1-CH2 3.96Å; Y259-W388 HydrophobicContact CE1-CH2 3.96Å; Y259-W388 AromaticContact CE1-CZ2 3.51Å; Y259-W388 HydrophobicContact CE1-CZ2 3.51Å; L262-W388 HydrophobicContact CD1-CH2 4.16Å; L262-W388 HydrophobicContact CD1-CZ2 3.7Å; I303-W388 HydrophobicContact CD1-CB 4.04Å; I303-W388 HydrophobicContact CD1-CG 4.14Å; I303-W388 HydrophobicContact CG1-CB 4.28Å; I303-W388 HydrophobicContact CG1-CD2 4.44Å; I303-W388 HydrophobicContact CG1-CG 3.98Å; I303-W388 HydrophobicContact CG2-CB 4.15Å; I303-W388 HydrophobicContact CG2-CG 4.34Å; T384-W388 PolarHBondContact O-N 3.08Å; T385-W388 WeakPolarHBondContact O-CB 3.46Å; T385-W388 PolarHBondContact O-N 3.27Å; T385-W388 VanDerWaalsContact O-N 3.07Å; F386-W388 VanDerWaalsContact C-N 3.26Å; F386-W388 PolarHBondContact O-N 3.43Å; W388-T392 HydrophobicContact CE3-CG2 4.11Å; W388-T392 HydrophobicContact CZ3-CG2 4.08Å
389S96.1Very high96Very high35 Ų3554 Ų5425%0.24529%0.294CS..  trans-156.7135.1168.675.90000111.7T385 F386 I391 T392T385-S389 PolarHBondContact O-N 3.38Å; F386-S389 CarbonylContact O-C 3.48Å; F386-S389 PolarHBondContact O-N 3.46Å; S389-I391 PolarHBondContact O-N 3.38Å; S389-I391 VanDerWaalsContact O-N 3.09Å; S389-T392 PolarHBondContact O-N 3.43Å; S389-T392 VanDerWaalsContact O-N 3.17Å; S389-T392 PolarHBondContact O-OG1 2.89Å; S389-T392 VanDerWaalsContact OG-CG2 3.23Å; S389-T392 WeakPolarHBondContact OG-CG2 3.47Å
390N95.9Very high96Very high115 Ų11551.6 Ų51.662%0.61528%0.281SS*.THydrogen-bonded Turntrans-61-28-177-65.4-7.4000113.6F386 T392 L393F386-N390 HydrophobicContact CD2-CB 4.45Å; F386-N390 HydrophobicContact CE2-CB 3.99Å; F386-N390 PolarHBondContact O-OD1 2.95Å; N390-T392 VanDerWaalsContact C-N 3.3Å; N390-T392 PolarHBondContact O-N 3.09Å; N390-L393 WeakPolarHBondContact O-CB 3.21Å; N390-L393 PolarHBondContact O-N 3.23Å
391I95.6Very high96.1Very high134 Ų13455.7 Ų55.769%0.68730%0.302SS*.THydrogen-bonded Turntrans-67.2-29.7-177.8-63.2169.4000111.7S389 L393 L394S389-I391 PolarHBondContact O-N 3.38Å; S389-I391 VanDerWaalsContact O-N 3.09Å; I391-L393 PolarHBondContact O-N 3.13Å; I391-L393 VanDerWaalsContact O-N 3.15Å; I391-L394 WeakPolarHBondContact O-CB 3Å; I391-L394 PolarHBondContact O-N 3.17Å; I391-L394 VanDerWaalsContact O-N 3.1Å
392T96Very high96.2Very high5 Ų556.7 Ų56.73%0.03131%0.307CS..Hα-helixtrans-65.6-20.3-177.851.10000113L266 T385 W388 S389 N390 L394 L395 T396L266-T392 HydrophobicContact CD1-CG2 3.66Å; L266-T392 HydrophobicContact CD2-CG2 4.32Å; T385-T392 PolarHBondContact O-OG1 3.19Å; W388-T392 HydrophobicContact CE3-CG2 4.11Å; W388-T392 HydrophobicContact CZ3-CG2 4.08Å; S389-T392 PolarHBondContact O-N 3.43Å; S389-T392 VanDerWaalsContact O-N 3.17Å; S389-T392 PolarHBondContact O-OG1 2.89Å; S389-T392 VanDerWaalsContact OG-CG2 3.23Å; S389-T392 WeakPolarHBondContact OG-CG2 3.47Å; N390-T392 VanDerWaalsContact C-N 3.3Å; N390-T392 PolarHBondContact O-N 3.09Å; T392-L394 PolarHBondContact O-N 2.8Å; T392-L395 PolarHBondContact O-N 3.42Å; T392-L395 VanDerWaalsContact O-N 3.1Å; T392-T396 PolarHBondContact O-N 3.15Å; T392-T396 PolarHBondContact O-OG1 2.94Å
393L95.4Very high96.2Very high76 Ų7654.6 Ų54.640%0.39830%0.296SS..Hα-helixtrans-57.9-35.9173.6-176.465.7000112.2L382 F386 N390 I391 T396 G397L382-L393 HydrophobicContact CD2-CD1 3.6Å; L382-L393 HydrophobicContact CG-CD1 4.22Å; F386-L393 HydrophobicContact CD2-CB 3.85Å; F386-L393 HydrophobicContact CD2-CD2 4.09Å; F386-L393 HydrophobicContact CD2-CG 4.42Å; F386-L393 HydrophobicContact CE2-CB 4.45Å; F386-L393 HydrophobicContact CE2-CD2 4.05Å; N390-L393 WeakPolarHBondContact O-CB 3.21Å; N390-L393 PolarHBondContact O-N 3.23Å; I391-L393 PolarHBondContact O-N 3.13Å; I391-L393 VanDerWaalsContact O-N 3.15Å; L393-T396 PolarHBondContact O-OG1 3.13Å; L393-G397 WeakPolarHBondContact O-CA 3.3Å; L393-G397 PolarHBondContact O-N 2.79Å
394L96.3Very high96.3Very high119 Ų11953.6 Ų53.662%0.62329%0.291SS*.Hα-helixtrans-64.2-45.3176.1-177.768.7000110.7I391 T392 L398I391-L394 WeakPolarHBondContact O-CB 3Å; I391-L394 PolarHBondContact O-N 3.17Å; I391-L394 VanDerWaalsContact O-N 3.1Å; T392-L394 PolarHBondContact O-N 2.8Å; L394-L398 HydrophobicContact CD1-CD1 4.36Å; L394-L398 HydrophobicContact CG-CD1 4.12Å; L394-L398 VanDerWaalsContact O-CB 3.31Å; L394-L398 WeakPolarHBondContact O-CB 3.46Å; L394-L398 WeakPolarHBondContact O-CD1 3.09Å; L394-L398 VanDerWaalsContact O-CG 3.25Å; L394-L398 WeakPolarHBondContact O-CG 3.42Å; L394-L398 PolarHBondContact O-N 2.84Å
395L96.4Very high96.4Very high44 Ų4457.5 Ų57.523%0.2331%0.311CS..Hα-helixtrans-70.2-45.7-177.4-62.6173.8000111.8L266 I270 T392 L398 N399L266-L395 HydrophobicContact CB-CD1 4.08Å; L266-L395 HydrophobicContact CD1-CD1 4.47Å; I270-L395 HydrophobicContact CD1-CB 4.06Å; I270-L395 HydrophobicContact CD1-CD2 3.5Å; I270-L395 HydrophobicContact CD1-CG 4.38Å; T392-L395 PolarHBondContact O-N 3.42Å; T392-L395 VanDerWaalsContact O-N 3.1Å; L395-L398 PolarHBondContact O-N 3.03Å; L395-N399 PolarHBondContact O-N 3.4Å
396T95Very high96.4Very high3 Ų357.4 Ų57.42%0.01831%0.31CS..Hα-helixtrans-69.4-39.217856.10000111.2L266 M269 L296 T392 L393 N399 M400L266-T396 HydrophobicContact CD2-CG2 4.31Å; M269-T396 HydrophobicContact SD-CG2 4.49Å; L296-T396 HydrophobicContact CD2-CG2 4.4Å; T392-T396 PolarHBondContact O-N 3.15Å; T392-T396 PolarHBondContact O-OG1 2.94Å; L393-T396 PolarHBondContact O-OG1 3.13Å; T396-N399 WeakPolarHBondContact O-CB 3.48Å; T396-N399 PolarHBondContact O-N 3.24Å; T396-M400 WeakPolarHBondContact O-CG 3.15Å; T396-M400 PolarHBondContact O-N 2.67Å
397G95.3Very high96.5Very high33 Ų3353.3 Ų53.334%0.3429%0.292SS..Hα-helixtrans-62.4-42.4173.400000113.2L393 N399 M400 L401L393-G397 WeakPolarHBondContact O-CA 3.3Å; L393-G397 PolarHBondContact O-N 2.79Å; G397-N399 VanDerWaalsContact C-N 3.35Å; G397-M400 PolarHBondContact O-N 3.23Å; G397-L401 PolarHBondContact O-N 3.2Å
398L96.6Very high96.5Very high76 Ų7653.1 Ų53.140%0.39828%0.284SS..Hα-helixtrans-61.9-41.9172-80.6166.2000111.8L394 L395 L401 I402L394-L398 HydrophobicContact CD1-CD1 4.36Å; L394-L398 HydrophobicContact CG-CD1 4.12Å; L394-L398 VanDerWaalsContact O-CB 3.31Å; L394-L398 WeakPolarHBondContact O-CB 3.46Å; L394-L398 WeakPolarHBondContact O-CD1 3.09Å; L394-L398 VanDerWaalsContact O-CG 3.25Å; L394-L398 WeakPolarHBondContact O-CG 3.42Å; L394-L398 PolarHBondContact O-N 2.84Å; L395-L398 PolarHBondContact O-N 3.03Å; L398-L401 PolarHBondContact O-N 3.21Å; L398-I402 VanDerWaalsContact O-CG1 3.31Å; L398-I402 WeakPolarHBondContact O-CG1 3.43Å; L398-I402 PolarHBondContact O-N 3.13Å
399N96.7Very high96.5Very high2 Ų252.3 Ų52.31%0.01128%0.281CS..Hα-helixtrans-60.8-46.3176.3-175.647.1000111.4M269 S273 L395 T396 G397 L401 I402 T403M269-N399 HydrophobicContact CG-CB 4.2Å; M269-N399 PolarHBondContact O-OD1 3.25Å; M269-N399 HydrophobicContact SD-CB 4.03Å; S273-N399 PolarHBondContact OG-OD1 3.12Å; L395-N399 PolarHBondContact O-N 3.4Å; T396-N399 WeakPolarHBondContact O-CB 3.48Å; T396-N399 PolarHBondContact O-N 3.24Å; G397-N399 VanDerWaalsContact C-N 3.35Å; N399-L401 VanDerWaalsContact C-N 3.27Å; N399-L401 PolarHBondContact O-N 2.92Å; N399-I402 PolarHBondContact O-N 3.14Å; N399-I402 VanDerWaalsContact O-N 3.15Å; N399-T403 WeakPolarHBondContact O-CG2 3.21Å; N399-T403 PolarHBondContact O-N 3.39Å; N399-T403 PolarHBondContact O-OG1 2.86Å
400M95.3Very high96.5Very high46 Ų4650.6 Ų50.623%0.22727%0.27CS..Hα-helixtrans-57.8-40.2175.4-66.3-62.1-69.300112.1A368 E378 T396 G397 T403 T404A368-M400 HydrophobicContact CB-CE 4.36Å; E378-M400 HydrophobicContact CB-SD 4.36Å; E378-M400 WeakPolarHBondContact OE2-CE 3.3Å; T396-M400 WeakPolarHBondContact O-CG 3.15Å; T396-M400 PolarHBondContact O-N 2.67Å; G397-M400 PolarHBondContact O-N 3.23Å; M400-T403 WeakPolarHBondContact CA-OG1 3.42Å; M400-T403 PolarHBondContact O-N 2.9Å; M400-T403 PolarHBondContact O-OG1 2.96Å; M400-T404 VanDerWaalsContact O-CG2 3.3Å; M400-T404 WeakPolarHBondContact O-CG2 3.42Å; M400-T404 PolarHBondContact O-N 3.01Å; M400-T404 VanDerWaalsContact O-N 3.1Å
401L97.1Very high96.6Very high95 Ų9545.6 Ų45.650%0.49724%0.243SC..Hα-helixtrans-63.8-47.8175.6-175.8145.3000110.8G397 L398 N399 T403 T404 L405G397-L401 PolarHBondContact O-N 3.2Å; L398-L401 PolarHBondContact O-N 3.21Å; N399-L401 VanDerWaalsContact C-N 3.27Å; N399-L401 PolarHBondContact O-N 2.92Å; L401-T403 VanDerWaalsContact C-N 3.3Å; L401-T403 PolarHBondContact O-N 3.19Å; L401-T404 PolarHBondContact O-N 2.81Å; L401-T404 PolarHBondContact O-OG1 3.21Å; L401-L405 HydrophobicContact CD2-CD1 3.65Å; L401-L405 HydrophobicContact CD2-CG 4.29Å; L401-L405 WeakPolarHBondContact O-CG 3.37Å; L401-L405 PolarHBondContact O-N 3.09Å; L401-L405 VanDerWaalsContact O-N 3.09Å
402I97.9Very high96.6Very high22 Ų2241.4 Ų41.411%0.11322%0.223CC..Hα-helixtrans-66.9-33.5-180-58.2163.2000111.1I270 S273 L277 L398 N399 L405 Y406I270-I402 HydrophobicContact CG2-CD1 3.94Å; S273-I402 VanDerWaalsContact C-CG2 3.49Å; S273-I402 WeakPolarHBondContact O-CG2 3.38Å; S273-I402 WeakPolarHBondContact OG-CG2 3.39Å; L277-I402 HydrophobicContact CD1-CG2 4.01Å; L277-I402 HydrophobicContact CG-CG2 4.35Å; L398-I402 VanDerWaalsContact O-CG1 3.31Å; L398-I402 WeakPolarHBondContact O-CG1 3.43Å; L398-I402 PolarHBondContact O-N 3.13Å; N399-I402 PolarHBondContact O-N 3.14Å; N399-I402 VanDerWaalsContact O-N 3.15Å; I402-L405 PolarHBondContact O-N 3.19Å; I402-Y406 HydrophobicContact CG2-CD1 4.39Å; I402-Y406 WeakPolarHBondContact O-CD1 3.36Å; I402-Y406 PolarHBondContact O-N 3.12Å
403T97.6Very high96.6Very high1 Ų142.1 Ų42.11%0.00623%0.228CC..Hα-helixtrans-64.6-40.3176.265.10000112.2N399 M400 L401 Y406 S407N399-T403 WeakPolarHBondContact O-CG2 3.21Å; N399-T403 PolarHBondContact O-N 3.39Å; N399-T403 PolarHBondContact O-OG1 2.86Å; M400-T403 WeakPolarHBondContact CA-OG1 3.42Å; M400-T403 PolarHBondContact O-N 2.9Å; M400-T403 PolarHBondContact O-OG1 2.96Å; L401-T403 VanDerWaalsContact C-N 3.3Å; L401-T403 PolarHBondContact O-N 3.19Å; T403-Y406 HydrophobicContact CG2-CE1 3.74Å; T403-S407 VanDerWaalsContact O-CB 3.25Å; T403-S407 WeakPolarHBondContact O-CB 3.02Å; T403-S407 PolarHBondContact O-N 2.95Å; T403-S407 VanDerWaalsContact O-N 3.14Å; T403-S407 PolarHBondContact O-OG 2.87Å
404T97.2Very high96.6Very high48 Ų4838.5 Ų38.529%0.29421%0.209SC..Hα-helixtrans-63.5-41.2171.466.40000111.7L367 M400 L401 S407 L408L367-T404 HydrophobicContact CB-CG2 4.17Å; M400-T404 VanDerWaalsContact O-CG2 3.3Å; M400-T404 WeakPolarHBondContact O-CG2 3.42Å; M400-T404 PolarHBondContact O-N 3.01Å; M400-T404 VanDerWaalsContact O-N 3.1Å; L401-T404 PolarHBondContact O-N 2.81Å; L401-T404 PolarHBondContact O-OG1 3.21Å; T404-S407 WeakPolarHBondContact CA-OG 3.44Å; T404-S407 PolarHBondContact O-OG 3.48Å; T404-L408 WeakPolarHBondContact O-CB 3.46Å; T404-L408 WeakPolarHBondContact O-CG 3.43Å; T404-L408 PolarHBondContact O-N 3.4Å; T404-L408 VanDerWaalsContact O-N 3.09Å
405L97.9Very high96.5Very high86 Ų8633 Ų3345%0.4518%0.179SC..Hα-helixtrans-64-50.7179.9-68.7176.1000112.2L277 L401 I402 S407 Y409L277-L405 HydrophobicContact CD2-CB 3.81Å; L401-L405 HydrophobicContact CD2-CD1 3.65Å; L401-L405 HydrophobicContact CD2-CG 4.29Å; L401-L405 WeakPolarHBondContact O-CG 3.37Å; L401-L405 PolarHBondContact O-N 3.09Å; L401-L405 VanDerWaalsContact O-N 3.09Å; I402-L405 PolarHBondContact O-N 3.19Å; L405-S407 PolarHBondContact O-N 3.27Å; L405-Y409 WeakPolarHBondContact O-CB 3.21Å; L405-Y409 PolarHBondContact O-N 3.35Å
406Y97.5Very high96.4Very high0 Ų037.5 Ų37.50%019%0.194CC..Hα-helixtrans-72.2-30.5-176.974.5-116.9000112.8C276 L285 I402 T403 M410C276-Y406 HydrophobicContact CB-CD1 3.71Å; C276-Y406 HydrophobicContact CB-CD2 4.14Å; C276-Y406 HydrophobicContact CB-CE1 4.37Å; C276-Y406 HydrophobicContact CB-CG 3.6Å; L285-Y406 HydrophobicContact CD2-CD2 4.28Å; I402-Y406 HydrophobicContact CG2-CD1 4.39Å; I402-Y406 WeakPolarHBondContact O-CD1 3.36Å; I402-Y406 PolarHBondContact O-N 3.12Å; T403-Y406 HydrophobicContact CG2-CE1 3.74Å; Y406-M410 VanDerWaalsContact O-CB 3.32Å; Y406-M410 WeakPolarHBondContact O-CB 3.18Å; Y406-M410 PolarHBondContact O-N 3.05Å
407S97.5Very high96.1Very high0 Ų040.3 Ų40.30%022%0.223CC..Hα-helixtrans-72.1-42.4179.755.90000111.4L367 T403 T404 L405 M410 F411L367-S407 WeakPolarHBondContact CB-OG 3.46Å; T403-S407 VanDerWaalsContact O-CB 3.25Å; T403-S407 WeakPolarHBondContact O-CB 3.02Å; T403-S407 PolarHBondContact O-N 2.95Å; T403-S407 VanDerWaalsContact O-N 3.14Å; T403-S407 PolarHBondContact O-OG 2.87Å; T404-S407 WeakPolarHBondContact CA-OG 3.44Å; T404-S407 PolarHBondContact O-OG 3.48Å; L405-S407 PolarHBondContact O-N 3.27Å; S407-M410 PolarHBondContact O-N 2.87Å; S407-F411 PolarHBondContact O-N 3.37Å
408L96.6Very high95.8Very high80 Ų8042.8 Ų42.842%0.41924%0.235SC..Hα-helixtrans-69.1-36.7171.9-67.5175.2000111.3L367 T404 F411 T412L367-L408 HydrophobicContact CD2-CD2 4.11Å; L367-L408 HydrophobicContact CD2-CG 4.15Å; T404-L408 WeakPolarHBondContact O-CB 3.46Å; T404-L408 WeakPolarHBondContact O-CG 3.43Å; T404-L408 PolarHBondContact O-N 3.4Å; T404-L408 VanDerWaalsContact O-N 3.09Å; L408-F411 PolarHBondContact O-N 2.88Å; L408-T412 WeakPolarHBondContact O-CB 3.2Å; L408-T412 VanDerWaalsContact O-CG2 3.26Å; L408-T412 WeakPolarHBondContact O-CG2 3.15Å; L408-T412 PolarHBondContact O-N 3.01Å; L408-T412 PolarHBondContact O-OG1 3.46Å
409Y96.7Very high95.3Very high78 Ų7842.1 Ų42.131%0.30623%0.232SC..Hα-helixtrans-59.7-46.3172.4175.4-113.4000111.8M342 L405 F411 T412 T413M342-Y409 HydrophobicContact CE-CD1 3.97Å; M342-Y409 HydrophobicContact CE-CE1 3.23Å; L405-Y409 WeakPolarHBondContact O-CB 3.21Å; L405-Y409 PolarHBondContact O-N 3.35Å; Y409-F411 VanDerWaalsContact C-N 3.34Å; Y409-F411 PolarHBondContact O-N 3.46Å; Y409-T412 WeakPolarHBondContact CA-OG1 3.3Å; Y409-T412 PolarHBondContact O-N 2.83Å; Y409-T412 PolarHBondContact O-OG1 2.77Å; Y409-T412 VanDerWaalsContact O-OG1 3.12Å; Y409-T413 HydrophobicContact CD2-CG2 3.66Å; Y409-T413 HydrophobicContact CE1-CG2 4.41Å; Y409-T413 HydrophobicContact CE2-CG2 3.3Å; Y409-T413 HydrophobicContact CG-CG2 4.33Å; Y409-T413 WeakPolarHBondContact O-CB 3.34Å; Y409-T413 VanDerWaalsContact O-CG2 3.28Å; Y409-T413 WeakPolarHBondContact O-CG2 3.45Å; Y409-T413 PolarHBondContact O-N 2.96Å; Y409-T413 PolarHBondContact O-OG1 3.43Å
410M96.8Very high94.9Very high0 Ų043.8 Ų43.80%024%0.242CC..Hα-helixtrans-58.8-43.4174.3-179.8-146.9-6500111.8L285 I286 L326 W359 Y406 S407 T413 T414L285-M410 HydrophobicContact CD2-CB 4.32Å; L285-M410 HydrophobicContact CD2-CE 3.38Å; L285-M410 HydrophobicContact CD2-CG 4.37Å; I286-M410 HydrophobicContact CG1-CE 4.25Å; L326-M410 HydrophobicContact CD1-CE 4.27Å; L326-M410 HydrophobicContact CD2-CE 4.31Å; L326-M410 HydrophobicContact CD2-SD 3.83Å; W359-M410 HydrophobicContact CE3-SD 4.34Å; W359-M410 HydrophobicContact CZ3-CG 3.99Å; W359-M410 HydrophobicContact CZ3-SD 3.63Å; Y406-M410 VanDerWaalsContact O-CB 3.32Å; Y406-M410 WeakPolarHBondContact O-CB 3.18Å; Y406-M410 PolarHBondContact O-N 3.05Å; S407-M410 PolarHBondContact O-N 2.87Å; M410-T413 PolarHBondContact O-OG1 3.01Å; M410-T414 WeakPolarHBondContact O-CB 3.49Å; M410-T414 VanDerWaalsContact O-CG2 3.29Å; M410-T414 WeakPolarHBondContact O-CG2 3.5Å; M410-T414 PolarHBondContact O-N 3.2Å; M410-T414 PolarHBondContact O-OG1 3.45Å
411F97.1Very high94.2Very high10 Ų1049.4 Ų49.44%0.04427%0.267CS..Hα-helixtrans-66.4-51.2177.9179.1-102.4000112.2W359 L360 S407 L408 Y409 T414 Q415 W416W359-F411 HydrophobicContact CB-CD2 3.97Å; W359-F411 HydrophobicContact CB-CE2 4Å; L360-F411 HydrophobicContact CB-CD2 4.47Å; L360-F411 HydrophobicContact CB-CE2 3.7Å; L360-F411 HydrophobicContact CB-CZ 4.02Å; L360-F411 HydrophobicContact CD1-CE1 3.97Å; L360-F411 HydrophobicContact CD1-CE2 4.06Å; L360-F411 HydrophobicContact CD1-CZ 3.74Å; L360-F411 HydrophobicContact CG-CZ 4.45Å; S407-F411 PolarHBondContact O-N 3.37Å; L408-F411 PolarHBondContact O-N 2.88Å; Y409-F411 VanDerWaalsContact C-N 3.34Å; Y409-F411 PolarHBondContact O-N 3.46Å; F411-T414 PolarHBondContact O-N 3.15Å; F411-T414 PolarHBondContact O-OG1 3.01Å; F411-Q415 HydrophobicContact CD2-CB 4.3Å; F411-Q415 HydrophobicContact CD2-CG 3.76Å; F411-Q415 HydrophobicContact CE2-CB 3.96Å; F411-Q415 HydrophobicContact CE2-CG 3.59Å; F411-Q415 HydrophobicContact CZ-CB 4.11Å; F411-Q415 HydrophobicContact CZ-CG 4.26Å; F411-Q415 WeakPolarHBondContact O-CB 3.33Å; F411-Q415 PolarHBondContact O-N 3.47Å; F411-W416 HydrophobicContact CE1-CD2 4.38Å; F411-W416 AromaticContact CE1-CE2 3.68Å; F411-W416 AromaticContact CE1-CZ2 3.93Å; F411-W416 HydrophobicContact CE1-CZ2 3.93Å; F411-W416 AromaticContact CE1-NE1 3.56Å
412T96.2Very high93.6Very high46 Ų4653.8 Ų53.828%0.28229%0.285SS..Hα-helixtrans-64.4-43.4-176.852.10000112.2L408 Y409 T414 W416L408-T412 WeakPolarHBondContact O-CB 3.2Å; L408-T412 VanDerWaalsContact O-CG2 3.26Å; L408-T412 WeakPolarHBondContact O-CG2 3.15Å; L408-T412 PolarHBondContact O-N 3.01Å; L408-T412 PolarHBondContact O-OG1 3.46Å; Y409-T412 WeakPolarHBondContact CA-OG1 3.3Å; Y409-T412 PolarHBondContact O-N 2.83Å; Y409-T412 PolarHBondContact O-OG1 2.77Å; Y409-T412 VanDerWaalsContact O-OG1 3.12Å; T412-T414 VanDerWaalsContact C-N 3.31Å; T412-T414 PolarHBondContact O-N 3.29Å; T412-W416 HydrophobicContact CG2-CD2 4.22Å; T412-W416 HydrophobicContact CG2-CE3 3.6Å; T412-W416 HydrophobicContact CG2-CZ3 3.94Å; T412-W416 CarbonylContact O-C 3.55Å; T412-W416 WeakPolarHBondContact O-CA 3.42Å; T412-W416 WeakPolarHBondContact O-CB 3.23Å; T412-W416 PolarHBondContact O-N 3.38Å
413T95.5Very high92.9Very high20 Ų2055 Ų5512%0.12329%0.291CS..Hα-helixtrans-67.1-29.9178.552.60000113.5M342 Q346 Y409 M410M342-T413 HydrophobicContact CE-CG2 4.14Å; M342-T413 WeakPolarHBondContact CE-OG1 3.32Å; M342-T413 WeakPolarHBondContact CG-OG1 3.47Å; M342-T413 PolarHBondContact SD-OG1 3.37Å; Q346-T413 VanDerWaalsContact CG-O 3.22Å; Q346-T413 WeakPolarHBondContact CG-O 3.42Å; Y409-T413 HydrophobicContact CD2-CG2 3.66Å; Y409-T413 HydrophobicContact CE1-CG2 4.41Å; Y409-T413 HydrophobicContact CE2-CG2 3.3Å; Y409-T413 HydrophobicContact CG-CG2 4.33Å; Y409-T413 WeakPolarHBondContact O-CB 3.34Å; Y409-T413 VanDerWaalsContact O-CG2 3.28Å; Y409-T413 WeakPolarHBondContact O-CG2 3.45Å; Y409-T413 PolarHBondContact O-N 2.96Å; Y409-T413 PolarHBondContact O-OG1 3.43Å; M410-T413 PolarHBondContact O-OG1 3.01Å
414T95.1Very high91.8Very high0 Ų061.3 Ų61.30%033%0.325CS..Hα-helixtrans-91.2-40.6-179.359.30000113.1L282 M342 S345 G347 L348 M410 F411 T412L282-T414 HydrophobicContact CD1-CG2 3.45Å; L282-T414 VanDerWaalsContact CD1-CG2 3.45Å; M342-T414 HydrophobicContact CG-CG2 3.8Å; S345-T414 CarbonylContact O-C 3.58Å; S345-T414 WeakPolarHBondContact O-CA 3.48Å; G347-T414 PolarHBondContact N-O 3.08Å; L348-T414 WeakPolarHBondContact CB-O 3.48Å; L348-T414 WeakPolarHBondContact CG-O 3.36Å; L348-T414 PolarHBondContact N-O 3.41Å; M410-T414 WeakPolarHBondContact O-CB 3.49Å; M410-T414 VanDerWaalsContact O-CG2 3.29Å; M410-T414 WeakPolarHBondContact O-CG2 3.5Å; M410-T414 PolarHBondContact O-N 3.2Å; M410-T414 PolarHBondContact O-OG1 3.45Å; F411-T414 PolarHBondContact O-N 3.15Å; F411-T414 PolarHBondContact O-OG1 3.01Å; T412-T414 VanDerWaalsContact C-N 3.31Å; T412-T414 PolarHBondContact O-N 3.29Å
415Q95.8Very high90.6Very high2 Ų266 Ų661%0.00935%0.348CS..Hα-helixtrans-98.6-36.5-171.2-56.9-48-57.800112.9G347 L348 Q349 A356 W359 F411G347-Q415 CarbonylContact C-O 3.27Å; G347-Q415 VanDerWaalsContact C-O 3.27Å; G347-Q415 WeakPolarHBondContact CA-O 3.35Å; L348-Q415 PolarHBondContact N-O 3.27Å; Q349-Q415 HydrophobicContact CB-CB 4.34Å; Q349-Q415 VanDerWaalsContact CB-O 3.23Å; Q349-Q415 WeakPolarHBondContact CB-O 3.44Å; Q349-Q415 PolarHBondContact N-O 2.97Å; A356-Q415 HydrophobicContact CB-CG 4.37Å; W359-Q415 HydrophobicContact CB-CG 3.81Å; W359-Q415 HydrophobicContact CG-CG 4.01Å; F411-Q415 HydrophobicContact CD2-CB 4.3Å; F411-Q415 HydrophobicContact CD2-CG 3.76Å; F411-Q415 HydrophobicContact CE2-CB 3.96Å; F411-Q415 HydrophobicContact CE2-CG 3.59Å; F411-Q415 HydrophobicContact CZ-CB 4.11Å; F411-Q415 HydrophobicContact CZ-CG 4.26Å; F411-Q415 WeakPolarHBondContact O-CB 3.33Å; F411-Q415 PolarHBondContact O-N 3.47Å
416W92.7Very high90Very high140 Ų14063.4 Ų63.453%0.5333%0.334SS..SBendtrans-96169.2-176.1-68.8-1.6000112.3G347 F411 T412G347-W416 WeakPolarHBondContact CA-O 3.46Å; G347-W416 PolarHBondContact N-O 3.48Å; F411-W416 HydrophobicContact CE1-CD2 4.38Å; F411-W416 AromaticContact CE1-CE2 3.68Å; F411-W416 AromaticContact CE1-CZ2 3.93Å; F411-W416 HydrophobicContact CE1-CZ2 3.93Å; F411-W416 AromaticContact CE1-NE1 3.56Å; T412-W416 HydrophobicContact CG2-CD2 4.22Å; T412-W416 HydrophobicContact CG2-CE3 3.6Å; T412-W416 HydrophobicContact CG2-CZ3 3.94Å; T412-W416 CarbonylContact O-C 3.55Å; T412-W416 WeakPolarHBondContact O-CA 3.42Å; T412-W416 WeakPolarHBondContact O-CB 3.23Å; T412-W416 PolarHBondContact O-N 3.38Å
417G89.9Confident89.7Confident61 Ų6168.6 Ų68.663%0.62936%0.357SS*.SBendtrans92.1-175.6-179.600000113.9G347G347-G417 VanDerWaalsContact CA-O 3.32Å; G347-G417 WeakPolarHBondContact CA-O 3.12Å
418S87.8Confident89.6Confident86 Ų8673.4 Ų73.460%0.60139%0.387SS*.  trans-73.4140.1176.152.80000110.9
419L87.3Confident89.5Confident62 Ų6271.2 Ų71.233%0.32538%0.379SS..  trans-60.4139.1169.8-78.4159.2000111G347 T350 L351 H421G347-L419 WeakPolarHBondContact O-CD2 3.28Å; T350-L419 WeakPolarHBondContact OG1-CD1 3.34Å; L351-L419 HydrophobicContact CD1-CD1 4.32Å; L351-L419 HydrophobicContact CD1-CD2 3.37Å; L351-L419 HydrophobicContact CD1-CG 4.49Å; L351-L419 HydrophobicContact CD2-CD1 4.22Å; L351-L419 HydrophobicContact CG-CD1 4Å; L351-L419 HydrophobicContact CG-CD2 3.73Å; L351-L419 HydrophobicContact CG-CG 4.5Å; L419-H421 PolarHBondContact O-N 2.72Å
420T86.9Confident89.5Confident36 Ų3671.3 Ų71.322%0.22138%0.381CS..  trans-66.3114.8171.151.90000110.4L344 Q346 H422 I423L344-T420 WeakPolarHBondContact O-CG2 3.27Å; Q346-T420 HydrophobicContact CB-CG2 4.34Å; T420-H422 PolarHBondContact O-N 3.47Å; T420-I423 PolarHBondContact O-N 2.88Å; T420-I423 VanDerWaalsContact O-N 3.09Å; T420-I423 WeakPolarHBondContact OG1-CD1 3.42Å; T420-I423 VanDerWaalsContact OG1-CG1 3.29Å; T420-I423 WeakPolarHBondContact OG1-CG1 3.16Å
421H80.9Confident89.5Confident164 Ų16477 Ų7776%0.75942%0.416SS*.THydrogen-bonded Turntrans-59.1-22.7-172.3-67.1-60.4000115.9L419 N424L419-H421 PolarHBondContact O-N 2.72Å; H421-N424 PolarHBondContact O-OD1 2.89Å; H421-N424 VanDerWaalsContact O-OD1 3.08Å
422H85.1Confident89.4Confident187 Ų18778.4 Ų78.487%0.86642%0.421SS*.THydrogen-bonded Turntrans-84.5-11.9-179.3-60.2-55.8000113.7T420 N424T420-H422 PolarHBondContact O-N 3.47Å; H422-N424 PolarHBondContact O-N 2.91Å
423I82Confident89.5Confident49 Ų4976.5 Ų76.525%0.25141%0.409SS..  trans-9689-177.9-53.8-173.9000109.8T337 L344 T420 M426T337-I423 HydrophobicContact CG2-CD1 4.24Å; L344-I423 WeakPolarHBondContact O-CD1 3.46Å; T420-I423 PolarHBondContact O-N 2.88Å; T420-I423 VanDerWaalsContact O-N 3.09Å; T420-I423 WeakPolarHBondContact OG1-CD1 3.42Å; T420-I423 VanDerWaalsContact OG1-CG1 3.29Å; T420-I423 WeakPolarHBondContact OG1-CG1 3.16Å; I423-M426 HydrophobicContact CG2-CE 3.94Å; I423-M426 HydrophobicContact CG2-CG 3.76Å; I423-M426 HydrophobicContact CG2-SD 3.93Å
424N75.4Confident89.6Confident133 Ų13376.9 Ų76.971%0.71141%0.41SS*.  trans-96.6-16.8-175.3-66.5-8.1000114.1H421 H422H421-N424 PolarHBondContact O-OD1 2.89Å; H421-N424 VanDerWaalsContact O-OD1 3.08Å; H422-N424 PolarHBondContact O-N 2.91Å
425N72.3Confident89.7Confident146 Ų14680 Ų8078%0.78143%0.429SS*.  trans-10740.8-169.4-72-6000113.8K427N425-K427 PolarHBondContact O-N 3.44Å
426M85.8Confident89.8Confident31 Ų3180.1 Ų80.115%0.15343%0.43CS..  trans-75.9112.2174.7-71.2-59.2-143.200110.9R336 T337 L348 L351 I423R336-M426 HydrophobicContact CB-CE 4.39Å; R336-M426 HydrophobicContact CB-SD 3.53Å; R336-M426 VanDerWaalsContact CB-SD 3.53Å; R336-M426 HydrophobicContact CG-SD 4.21Å; T337-M426 HydrophobicContact CG2-CE 3.43Å; T337-M426 VanDerWaalsContact CG2-CE 3.43Å; T337-M426 HydrophobicContact CG2-SD 4.29Å; L348-M426 HydrophobicContact CD2-CE 3.54Å; L351-M426 HydrophobicContact CD1-CB 3.95Å; L351-M426 HydrophobicContact CD1-CG 3.96Å; I423-M426 HydrophobicContact CG2-CE 3.94Å; I423-M426 HydrophobicContact CG2-CG 3.76Å; I423-M426 HydrophobicContact CG2-SD 3.93Å
427K90.8Very high90Very high110 Ų11073.6 Ų73.648%0.47841%0.405SS..PPolyproline II helixtrans-70.9144.8172.7-63.7-179.2-176175.40110.3R336 N425 F430R336-K427 PolarHBondContact NE-O 3.19Å; R336-K427 PolarHBondContact NH2-O 3.17Å; N425-K427 PolarHBondContact O-N 3.44Å; K427-F430 HydrophobicContact CB-CE2 4.4Å; K427-F430 HydrophobicContact CB-CZ 4.17Å; K427-F430 HydrophobicContact CD-CZ 3.86Å
428P94.3Very high90.3Very high100 Ų10076.1 Ų76.165%0.64940%0.399SS*.PPolyproline II helixtrans-53.2164171-26.334.6000113.2R336 F430R336-P428 PolarHBondContact NH2-O 2.95Å; P428-F430 PolarHBondContact O-N 3.48Å
429S95.4Very high90.8Very high35 Ų3574.6 Ų74.625%0.24538%0.383CS..PPolyproline II helixtrans-62.2126.317659.30000110.5N434S429-N434 PolarHBondContact OG-ND2 2.91Å; S429-N434 VanDerWaalsContact OG-ND2 3.09Å
430F96.4Very high91.2Very high79 Ų7971.7 Ų71.735%0.34637%0.368SS..PPolyproline II helixtrans-76.5149.2176.7-65.6-75.6000110.7K427 P428 R432 E433 N434K427-F430 HydrophobicContact CB-CE2 4.4Å; K427-F430 HydrophobicContact CB-CZ 4.17Å; K427-F430 HydrophobicContact CD-CZ 3.86Å; P428-F430 PolarHBondContact O-N 3.48Å; F430-R432 PolarHBondContact O-N 3.26Å; F430-E433 HydrophobicContact CB-CG 4.12Å; F430-E433 HydrophobicContact CD2-CG 4.49Å; F430-E433 PolarHBondContact N-OE2 3.38Å; F430-E433 WeakPolarHBondContact O-CB 3.33Å; F430-E433 PolarHBondContact O-N 3.45Å; F430-N434 PolarHBondContact O-N 2.94Å; F430-N434 VanDerWaalsContact O-N 3.11Å
431T96.9Very high91.6Very high119 Ų11970.4 Ų70.473%0.7336%0.36SS*.Hα-helixtrans-54.7-42.2174.851.50000111.8E433 N434 T435T431-E433 VanDerWaalsContact C-N 3.31Å; T431-E433 PolarHBondContact O-N 3.3Å; T431-N434 PolarHBondContact O-N 2.93Å; T431-T435 WeakPolarHBondContact O-CB 3.46Å; T431-T435 WeakPolarHBondContact O-CG2 3.49Å; T431-T435 PolarHBondContact O-N 3.23Å; T431-T435 PolarHBondContact O-OG1 3.45Å; T431-T435 VanDerWaalsContact O-OG1 3.08Å
432R96Very high92.2Very high41 Ų4163.7 Ų63.716%0.15533%0.332CS..Hα-helixtrans-53.7-43.1173.2-177.5-16569.7102-4.8113.2M78 A79 E335 F430 T435 L436M78-R432 WeakPolarHBondContact O-CD 3.35Å; M78-R432 PolarHBondContact O-NH1 2.93Å; A79-R432 PolarHBondContact O-NH1 3.14Å; E335-R432 IonicContact OE1-NH2 3.98Å; E335-R432 PolarHBondContact OE1-NH2 2.9Å; E335-R432 IonicContact OE2-NH2 3.1Å; E335-R432 PolarHBondContact OE2-NH2 3.48Å; F430-R432 PolarHBondContact O-N 3.26Å; R432-T435 VanDerWaalsContact C-OG1 3.31Å; R432-T435 VanDerWaalsContact CA-OG1 3.32Å; R432-T435 WeakPolarHBondContact CA-OG1 3.47Å; R432-T435 PolarHBondContact O-OG1 2.92Å; R432-L436 VanDerWaalsContact O-CB 3.27Å; R432-L436 WeakPolarHBondContact O-CB 3.28Å; R432-L436 PolarHBondContact O-N 3.04Å
433E97.1Very high92.6Very high6 Ų655.8 Ų55.83%0.02830%0.297CS..Hα-helixtrans-69.8-47.4-178.5-64.3171.9153.200109.9R336 M355 F430 T431 T435 L436 M437R336-E433 IonicContact CZ-OE1 3.55Å; R336-E433 IonicContact CZ-OE2 3.52Å; R336-E433 IonicContact NH1-OE1 2.82Å; R336-E433 PolarHBondContact NH1-OE1 3.41Å; R336-E433 IonicContact NH1-OE2 3.37Å; R336-E433 PolarHBondContact NH1-OE2 3.14Å; R336-E433 IonicContact NH2-OE1 2.72Å; R336-E433 PolarHBondContact NH2-OE1 3.43Å; R336-E433 IonicContact NH2-OE2 3.96Å; R336-E433 PolarHBondContact NH2-OE2 3.02Å; M355-E433 HydrophobicContact CE-CB 3.86Å; F430-E433 HydrophobicContact CB-CG 4.12Å; F430-E433 HydrophobicContact CD2-CG 4.49Å; F430-E433 PolarHBondContact N-OE2 3.38Å; F430-E433 WeakPolarHBondContact O-CB 3.33Å; F430-E433 PolarHBondContact O-N 3.45Å; T431-E433 VanDerWaalsContact C-N 3.31Å; T431-E433 PolarHBondContact O-N 3.3Å; E433-T435 PolarHBondContact O-N 3Å; E433-L436 WeakPolarHBondContact O-CB 2.85Å; E433-L436 PolarHBondContact O-N 3.15Å; E433-L436 VanDerWaalsContact O-N 3.13Å; E433-M437 WeakPolarHBondContact O-CG 3.42Å; E433-M437 PolarHBondContact O-N 2.97Å
434N97.6Very high93.1Very high27 Ų2753.6 Ų53.614%0.14429%0.286CS..Hα-helixtrans-63.9-40.2178.6-68.3-28.9000112.1W358 S429 F430 T431 L436 M437 F438W358-N434 PolarHBondContact NE1-OD1 3.25Å; S429-N434 PolarHBondContact OG-ND2 2.91Å; S429-N434 VanDerWaalsContact OG-ND2 3.09Å; F430-N434 PolarHBondContact O-N 2.94Å; F430-N434 VanDerWaalsContact O-N 3.11Å; T431-N434 PolarHBondContact O-N 2.93Å; N434-L436 VanDerWaalsContact C-N 3.27Å; N434-L436 PolarHBondContact O-N 3.24Å; N434-M437 PolarHBondContact O-N 2.93Å; N434-F438 WeakPolarHBondContact O-CB 3.38Å; N434-F438 PolarHBondContact O-N 3.27Å
435T97.1Very high93.9Very high65 Ų6551.9 Ų51.940%0.39928%0.276SS..Hα-helixtrans-63-37.4174.456.50000111.2T431 R432 E433 M439T431-T435 WeakPolarHBondContact O-CB 3.46Å; T431-T435 WeakPolarHBondContact O-CG2 3.49Å; T431-T435 PolarHBondContact O-N 3.23Å; T431-T435 PolarHBondContact O-OG1 3.45Å; T431-T435 VanDerWaalsContact O-OG1 3.08Å; R432-T435 VanDerWaalsContact C-OG1 3.31Å; R432-T435 VanDerWaalsContact CA-OG1 3.32Å; R432-T435 WeakPolarHBondContact CA-OG1 3.47Å; R432-T435 PolarHBondContact O-OG1 2.92Å; E433-T435 PolarHBondContact O-N 3Å; T435-M439 WeakPolarHBondContact O-CB 3.44Å; T435-M439 WeakPolarHBondContact O-CG 3.28Å; T435-M439 PolarHBondContact O-N 2.87Å
436L97.2Very high94.9Very high5 Ų550.4 Ų50.43%0.02627%0.267CS..Hα-helixtrans-67.4-42.7177.2-177.8153.1000111.4M78 A79 C328 R432 E433 N434 M439 H440M78-L436 HydrophobicContact CB-CD1 4.36Å; A79-L436 HydrophobicContact CB-CD1 3.63Å; C328-L436 HydrophobicContact CB-CD2 3.35Å; C328-L436 VanDerWaalsContact SG-CD2 3.52Å; R432-L436 VanDerWaalsContact O-CB 3.27Å; R432-L436 WeakPolarHBondContact O-CB 3.28Å; R432-L436 PolarHBondContact O-N 3.04Å; E433-L436 WeakPolarHBondContact O-CB 2.85Å; E433-L436 PolarHBondContact O-N 3.15Å; E433-L436 VanDerWaalsContact O-N 3.13Å; N434-L436 VanDerWaalsContact C-N 3.27Å; N434-L436 PolarHBondContact O-N 3.24Å; L436-M439 PolarHBondContact O-N 3.11Å; L436-H440 PolarHBondContact O-N 2.81Å; L436-H440 PolarHBondContact O-ND1 3.17Å
437M97.7Very high95.3Very high3 Ų349.6 Ų49.62%0.01526%0.264CS..Hα-helixtrans-64.7-42.9176.5-57.6-44.7159.800111.1L325 C328 L329 M355 W358 E433 N434 M439 H440 L441L325-M437 HydrophobicContact CD1-CB 4.07Å; L325-M437 HydrophobicContact CD1-CG 4.29Å; L325-M437 HydrophobicContact CD1-SD 3.42Å; L325-M437 WeakPolarHBondContact CD1-SD 3.48Å; C328-M437 HydrophobicContact CB-CE 3.95Å; C328-M437 HydrophobicContact CB-SD 4.19Å; L329-M437 HydrophobicContact CD2-CE 3.77Å; L329-M437 HydrophobicContact CD2-CG 4.14Å; L329-M437 HydrophobicContact CD2-SD 3.66Å; L329-M437 HydrophobicContact CG-CE 4.1Å; L329-M437 HydrophobicContact CG-SD 3.81Å; M355-M437 HydrophobicContact SD-CE 4.23Å; M355-M437 HydrophobicContact SD-CG 4.27Å; W358-M437 HydrophobicContact CB-CB 4.07Å; W358-M437 HydrophobicContact CB-CG 4.05Å; W358-M437 HydrophobicContact CD2-CB 3.63Å; W358-M437 HydrophobicContact CD2-CG 4.41Å; W358-M437 HydrophobicContact CE3-CB 4.16Å; W358-M437 HydrophobicContact CG-CB 3.59Å; W358-M437 HydrophobicContact CG-CG 3.85Å; E433-M437 WeakPolarHBondContact O-CG 3.42Å; E433-M437 PolarHBondContact O-N 2.97Å; N434-M437 PolarHBondContact O-N 2.93Å; M437-M439 PolarHBondContact O-N 3.3Å; M437-H440 PolarHBondContact O-N 3.05Å; M437-L441 PolarHBondContact O-N 3.22Å
438F97.4Very high95.3Very high114 Ų11446 Ų4650%0.525%0.253SS..Hα-helixtrans-59.9-46176.4177.9-103.5000112.3W358 N434 H440 L441 S442W358-F438 HydrophobicContact CH2-CB 3.94Å; W358-F438 HydrophobicContact CH2-CD2 4.07Å; W358-F438 HydrophobicContact CZ2-CB 4.24Å; N434-F438 WeakPolarHBondContact O-CB 3.38Å; N434-F438 PolarHBondContact O-N 3.27Å; F438-H440 PolarHBondContact O-N 3.34Å; F438-L441 PolarHBondContact O-N 3.19Å; F438-S442 WeakPolarHBondContact O-CB 3.29Å; F438-S442 PolarHBondContact O-N 3.47Å; F438-S442 PolarHBondContact O-OG 3.36Å
439M96.8Very high95.2Very high55 Ų5548.1 Ų48.127%0.27126%0.257SS..Hα-helixtrans-66.1-19.5178.3-71.1-67-166.500113.8W71 L75 T435 L436 M437 P443W71-M439 HydrophobicContact CH2-SD 3.67Å; W71-M439 HydrophobicContact CZ2-CB 4.05Å; W71-M439 HydrophobicContact CZ2-CG 4.48Å; W71-M439 WeakPolarHBondContact CZ2-O 3.46Å; W71-M439 HydrophobicContact CZ2-SD 3.75Å; W71-M439 PolarHBondContact NE1-O 2.73Å; W71-M439 VanDerWaalsContact NE1-O 3.07Å; L75-M439 HydrophobicContact CD2-CB 3.82Å; L75-M439 HydrophobicContact CG-CB 4.21Å; T435-M439 WeakPolarHBondContact O-CB 3.44Å; T435-M439 WeakPolarHBondContact O-CG 3.28Å; T435-M439 PolarHBondContact O-N 2.87Å; L436-M439 PolarHBondContact O-N 3.11Å; M437-M439 PolarHBondContact O-N 3.3Å; M439-P443 WeakPolarHBondContact O-CD 3.08Å; M439-P443 WeakPolarHBondContact O-CG 3.46Å
440H96.4Very high95Very high1 Ų150 Ų501%0.00526%0.264CS..Hα-helixtrans-83.5-38.3171.4-81.990.7000112.8L75 S324 L325 L436 M437 F438 P443 I444L75-H440 WeakPolarHBondContact CD2-CE1 3.35Å; L75-H440 WeakPolarHBondContact CD2-ND1 3.36Å; S324-H440 PolarHBondContact OG-CD2 3.07Å; S324-H440 PolarHBondContact OG-NE2 2.92Å; L325-H440 HydrophobicContact CB-CB 3.93Å; L325-H440 HydrophobicContact CD1-CB 3.79Å; L325-H440 HydrophobicContact CG-CB 4.29Å; L436-H440 PolarHBondContact O-N 2.81Å; L436-H440 PolarHBondContact O-ND1 3.17Å; M437-H440 PolarHBondContact O-N 3.05Å; F438-H440 PolarHBondContact O-N 3.34Å; H440-P443 WeakPolarHBondContact O-CD 3.46Å; H440-I444 WeakPolarHBondContact O-CD1 3.47Å; H440-I444 WeakPolarHBondContact O-CG1 3.5Å
441L94.6Very high94.6Very high8 Ų847.8 Ų47.84%0.04226%0.258CS..Hα-helixtrans-83-32.4-176-80.2161.7000113.1L325 W358 L361 M437 F438 I444 L445L325-L441 HydrophobicContact CD2-CD1 4.05Å; L325-L441 HydrophobicContact CD2-CD2 3.77Å; L325-L441 HydrophobicContact CD2-CG 3.66Å; W358-L441 HydrophobicContact CD2-CD1 4.31Å; W358-L441 HydrophobicContact CE3-CD1 3.19Å; W358-L441 HydrophobicContact CZ3-CD1 3.49Å; W358-L441 VanDerWaalsContact CZ3-CD1 3.49Å; L361-L441 HydrophobicContact CB-CD1 3.93Å; L361-L441 HydrophobicContact CB-CD2 3.96Å; L361-L441 HydrophobicContact CD1-CD1 3.87Å; M437-L441 PolarHBondContact O-N 3.22Å; F438-L441 PolarHBondContact O-N 3.19Å; L441-I444 HydrophobicContact CD2-CD1 4.28Å; L441-I444 PolarHBondContact O-N 3.37Å; L441-I444 VanDerWaalsContact O-N 3.14Å; L441-L445 PolarHBondContact O-N 3.4Å
442S94.6Very high94.1Very high24 Ų2447.2 Ų47.217%0.16825%0.251CS..Hα-helixtrans-58.8-42.1-179.467.40000112.9F438 L445 L446F438-S442 WeakPolarHBondContact O-CB 3.29Å; F438-S442 PolarHBondContact O-N 3.47Å; F438-S442 PolarHBondContact O-OG 3.36Å; S442-L445 PolarHBondContact O-N 3.5Å; S442-L446 WeakPolarHBondContact O-CB 3.44Å; S442-L446 WeakPolarHBondContact O-CG 3.32Å; S442-L446 PolarHBondContact O-N 3.01Å
443P93.6Very high93.6Very high21 Ų2148.1 Ų48.114%0.13626%0.258CS..Hα-helixtrans-69.1-35.4175.6-16.733.1000112.4W71 L321 M439 H440 L445 L446 L447W71-P443 HydrophobicContact CZ2-CG 4.06Å; L321-P443 HydrophobicContact CD1-CB 4.08Å; M439-P443 WeakPolarHBondContact O-CD 3.08Å; M439-P443 WeakPolarHBondContact O-CG 3.46Å; H440-P443 WeakPolarHBondContact O-CD 3.46Å; P443-L445 VanDerWaalsContact C-N 3.33Å; P443-L445 PolarHBondContact O-N 3.23Å; P443-L446 PolarHBondContact O-N 3.1Å; P443-L447 WeakPolarHBondContact O-CB 3.21Å; P443-L447 WeakPolarHBondContact O-CG 2.98Å; P443-L447 PolarHBondContact O-N 2.8Å
444I92.9Very high93.1Very high3 Ų347.8 Ų47.82%0.01526%0.257CS..Hα-helixtrans-60.6-45.8177.4-62.5170.7000110.1L321 T322 I373 H440 L441 S448L321-I444 HydrophobicContact CB-CD1 3.75Å; L321-I444 HydrophobicContact CB-CG1 3.62Å; L321-I444 HydrophobicContact CD1-CG1 3.75Å; L321-I444 HydrophobicContact CG-CG1 4.3Å; T322-I444 HydrophobicContact CG2-CD1 3.91Å; I373-I444 HydrophobicContact CD1-CG2 4.44Å; I373-I444 HydrophobicContact CG1-CG2 4.13Å; H440-I444 WeakPolarHBondContact O-CD1 3.47Å; H440-I444 WeakPolarHBondContact O-CG1 3.5Å; L441-I444 HydrophobicContact CD2-CD1 4.28Å; L441-I444 PolarHBondContact O-N 3.37Å; L441-I444 VanDerWaalsContact O-N 3.14Å; I444-S448 PolarHBondContact O-N 2.99Å
445L91.9Very high92.3Very high97 Ų9747.4 Ų47.451%0.50826%0.255SS..Hα-helixtrans-69.4-44.4178.5-67.8171.8000111.7L441 S442 P443 L447 S448L441-L445 PolarHBondContact O-N 3.4Å; S442-L445 PolarHBondContact O-N 3.5Å; P443-L445 VanDerWaalsContact C-N 3.33Å; P443-L445 PolarHBondContact O-N 3.23Å; L445-L447 PolarHBondContact O-N 3.01Å; L445-S448 WeakPolarHBondContact O-CB 3.34Å; L445-S448 PolarHBondContact O-N 3.23Å; L445-S448 PolarHBondContact O-OG 3.44Å
446L92.7Very high91.4Very high115 Ų11544.4 Ų44.460%0.60224%0.237SC*.Hα-helixtrans-65.2-39.2179.8-71.2169.7000112.3S442 P443 S448 L449 N450S442-L446 WeakPolarHBondContact O-CB 3.44Å; S442-L446 WeakPolarHBondContact O-CG 3.32Å; S442-L446 PolarHBondContact O-N 3.01Å; P443-L446 PolarHBondContact O-N 3.1Å; L446-S448 PolarHBondContact O-N 2.95Å; L446-L449 WeakPolarHBondContact O-CB 3.47Å; L446-L449 PolarHBondContact O-N 3.24Å; L446-L449 VanDerWaalsContact O-N 3.15Å; L446-N450 PolarHBondContact O-N 3Å
447L93.2Very high89.8Confident14 Ų1449.6 Ų49.67%0.07326%0.259CS..Hα-helixtrans-68.1-23.6175.9-71.7171.7000112.7M67 I317 L321 I373 P443 L445 L449 N450 P451 I454M67-L447 HydrophobicContact CE-CD2 4.48Å; I317-L447 HydrophobicContact CG2-CD1 4.25Å; L321-L447 HydrophobicContact CD1-CD1 4.31Å; I373-L447 HydrophobicContact CD1-CB 4.15Å; I373-L447 HydrophobicContact CD1-CD1 4.09Å; I373-L447 HydrophobicContact CG2-CB 3.96Å; P443-L447 WeakPolarHBondContact O-CB 3.21Å; P443-L447 WeakPolarHBondContact O-CG 2.98Å; P443-L447 PolarHBondContact O-N 2.8Å; L445-L447 PolarHBondContact O-N 3.01Å; L447-L449 VanDerWaalsContact C-N 3.26Å; L447-L449 PolarHBondContact O-N 3.48Å; L447-N450 CarbonylContact O-C 3.39Å; L447-N450 VanDerWaalsContact O-C 3.28Å; L447-N450 PolarHBondContact O-N 2.91Å; L447-P451 WeakPolarHBondContact O-CA 3.44Å; L447-I454 HydrophobicContact CB-CD1 4.47Å; L447-I454 HydrophobicContact CD1-CG2 4.38Å; L447-I454 HydrophobicContact CD2-CG2 3.81Å
448S92.6Very high87.7Confident35 Ų3552.5 Ų52.525%0.24528%0.28CS..Hα-helixtrans-68.7-26172.474.30000113.1P371 I444 L445 L446P371-S448 WeakPolarHBondContact O-CB 3.37Å; I444-S448 PolarHBondContact O-N 2.99Å; L445-S448 WeakPolarHBondContact O-CB 3.34Å; L445-S448 PolarHBondContact O-N 3.23Å; L445-S448 PolarHBondContact O-OG 3.44Å; L446-S448 PolarHBondContact O-N 2.95Å
449L92.1Very high85.1Confident143 Ų14351.4 Ų51.475%0.74929%0.287SS*.Hα-helixtrans-78.4-31.3177.3-63173.5000112.4L446 L447L446-L449 WeakPolarHBondContact O-CB 3.47Å; L446-L449 PolarHBondContact O-N 3.24Å; L446-L449 VanDerWaalsContact O-N 3.15Å; L447-L449 VanDerWaalsContact C-N 3.26Å; L447-L449 PolarHBondContact O-N 3.48Å
450N90.4Very high84.5Confident74 Ų7451.2 Ų51.240%0.39629%0.287SS..  trans-138.479.3177.8-171-0.4000110.6L446 L447 D452 I453L446-N450 PolarHBondContact O-N 3Å; L447-N450 CarbonylContact O-C 3.39Å; L447-N450 VanDerWaalsContact O-C 3.28Å; L447-N450 PolarHBondContact O-N 2.91Å; N450-D452 VanDerWaalsContact C-N 3.26Å; N450-D452 PolarHBondContact O-N 2.92Å; N450-I453 HydrophobicContact CB-CD1 4.29Å
451P87.8Confident83.9Confident33 Ų3353.8 Ų53.821%0.21430%0.302CS..G310 helixtrans-72.9-16.7-177.829.7-35000113.2L376 L447 I453 I454 T455L376-P451 HydrophobicContact CD2-CB 3.49Å; L376-P451 VanDerWaalsContact CD2-CB 3.49Å; L376-P451 HydrophobicContact CD2-CG 4.23Å; L447-P451 WeakPolarHBondContact O-CA 3.44Å; P451-I453 PolarHBondContact O-N 3.5Å; P451-I453 VanDerWaalsContact O-N 3.09Å; P451-I454 WeakPolarHBondContact O-CG1 3.31Å; P451-I454 PolarHBondContact O-N 3.29Å; P451-T455 WeakPolarHBondContact O-CG2 3.35Å; P451-T455 PolarHBondContact O-N 3.09Å
452D85.6Confident83.3Confident107 Ų10756.4 Ų56.457%0.57232%0.317SS*.G310 helixtrans-56.5-34.1-174.6-62.3-14.7000112.1N450 I454 T455N450-D452 VanDerWaalsContact C-N 3.26Å; N450-D452 PolarHBondContact O-N 2.92Å; D452-I454 PolarHBondContact O-N 3.11Å; D452-I454 VanDerWaalsContact O-N 3.07Å; D452-T455 PolarHBondContact O-N 3.37Å; D452-T455 PolarHBondContact O-OG1 3.42Å
453I85.6Confident82.6Confident60 Ų6058.3 Ų58.331%0.30833%0.325SS..G310 helixtrans-54.6-28.2176.4-60.9179.9000112.8F42 N450 P451F42-I453 HydrophobicContact CD1-CG2 3.43Å; F42-I453 VanDerWaalsContact CD1-CG2 3.43Å; F42-I453 HydrophobicContact CD2-CG2 4.4Å; F42-I453 HydrophobicContact CE1-CB 4.41Å; F42-I453 HydrophobicContact CE1-CG2 3.05Å; F42-I453 HydrophobicContact CE2-CG2 4.11Å; F42-I453 HydrophobicContact CG-CG2 4.11Å; F42-I453 HydrophobicContact CZ-CG2 3.44Å; F42-I453 VanDerWaalsContact CZ-CG2 3.44Å; N450-I453 HydrophobicContact CB-CD1 4.29Å; P451-I453 PolarHBondContact O-N 3.5Å; P451-I453 VanDerWaalsContact O-N 3.09Å
454I86.7Confident82Confident0 Ų060.6 Ų60.60%034%0.337CS..G310 helixtrans-115.49.5-173.659.7165.3000113.4P64 V313 I314 I317 I373 L447 P451 D452 G456P64-I454 HydrophobicContact CB-CG2 4.09Å; P64-I454 HydrophobicContact CG-CG2 4.36Å; V313-I454 WeakPolarHBondContact CG1-O 3.42Å; I314-I454 HydrophobicContact CG1-CD1 4.27Å; I314-I454 HydrophobicContact CG1-CG1 4.18Å; I314-I454 WeakPolarHBondContact CG1-O 3.41Å; I314-I454 HydrophobicContact CG2-CD1 4.09Å; I317-I454 HydrophobicContact CD1-CB 3.6Å; I317-I454 HydrophobicContact CD1-CG2 3.7Å; I373-I454 HydrophobicContact CB-CD1 4.25Å; I373-I454 HydrophobicContact CD1-CD1 4.43Å; I373-I454 HydrophobicContact CG2-CD1 3.86Å; L447-I454 HydrophobicContact CB-CD1 4.47Å; L447-I454 HydrophobicContact CD1-CG2 4.38Å; L447-I454 HydrophobicContact CD2-CG2 3.81Å; P451-I454 WeakPolarHBondContact O-CG1 3.31Å; P451-I454 PolarHBondContact O-N 3.29Å; D452-I454 PolarHBondContact O-N 3.11Å; D452-I454 VanDerWaalsContact O-N 3.07Å; I454-G456 VanDerWaalsContact C-N 3.29Å; I454-G456 PolarHBondContact O-N 3.22Å
455T82.5Confident81.2Confident18 Ų1864.5 Ų64.511%0.1136%0.359CS..  trans-76.2-11.6-178.457.20000113.8T310 I314 P451 D452T310-T455 WeakPolarHBondContact CA-O 3.44Å; T310-T455 VanDerWaalsContact CB-O 3.29Å; T310-T455 WeakPolarHBondContact CB-O 3.3Å; T310-T455 WeakPolarHBondContact CG2-O 3.44Å; I314-T455 HydrophobicContact CD1-CG2 4.35Å; P451-T455 WeakPolarHBondContact O-CG2 3.35Å; P451-T455 PolarHBondContact O-N 3.09Å; D452-T455 PolarHBondContact O-N 3.37Å; D452-T455 PolarHBondContact O-OG1 3.42Å
456G76.6Confident80.5Confident2 Ų262.1 Ų62.12%0.02135%0.348CS..G310 helixtrans72.9-130.5179.800000111.8P60 I454 S458P60-G456 VanDerWaalsContact CB-O 3.23Å; P60-G456 WeakPolarHBondContact CB-O 3.44Å; P60-G456 VanDerWaalsContact CG-O 3.27Å; P60-G456 WeakPolarHBondContact CG-O 3.39Å; I454-G456 VanDerWaalsContact C-N 3.29Å; I454-G456 PolarHBondContact O-N 3.22Å; G456-S458 VanDerWaalsContact C-N 3.28Å; G456-S458 PolarHBondContact O-N 3.38Å
457F63.8Low79.5Confident114 Ų11458.1 Ų58.150%0.533%0.329SS..G310 helixtrans-78.63.1-169.8-65.9-73.2000115.7D59 P60 L61D59-F457 HydrophobicContact CB-CE1 4.34Å; P60-F457 HydrophobicContact CG-CD1 4.09Å; P60-F457 HydrophobicContact CG-CE1 4.46Å; L61-F457 HydrophobicContact CB-CE2 3.79Å; L61-F457 HydrophobicContact CB-CZ 3.88Å; L61-F457 HydrophobicContact CD2-CE2 4.1Å; L61-F457 HydrophobicContact CD2-CZ 4.38Å; L61-F457 HydrophobicContact CG-CE2 4.42Å
458S54.1Low78.4Confident64 Ų6461.8 Ų61.845%0.44835%0.35SS..G310 helixtrans-115.121.9-175.487.60000115T310 G456T310-S458 WeakPolarHBondContact CG2-OG 3.13Å; G456-S458 VanDerWaalsContact C-N 3.28Å; G456-S458 PolarHBondContact O-N 3.38Å
459S43Very low77.1Confident91 Ų9164.2 Ų64.264%0.63636%0.359SS*.  trans-76.70169.758.70000111.9N46N46-S459 PolarHBondContact ND2-O 3.04Å; N46-S459 PolarHBondContact ND2-OXT 3.27Å; N46-S459 VanDerWaalsContact ND2-OXT 3.11Å; N46-S459 PolarHBondContact OD1-O 3.21Å; N46-S459 PolarHBondContact OD1-OG 2.86Å

Retrieved 459 of 459 residues in 549.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).