G4VLH2_SCHMA Loading...

Integrator complex subunit 4

AlphaFold DB , UniProt , Accession G4VLH2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,091 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M45.1Very low66.1Low161 Ų16184.4 Ų84.479%0.79344%0.441SS*.  0-70.20-60.2-165.887.400111.1V3 S4 E5M1-V3 VanDerWaalsContact C-N 3.26Å; M1-V3 PolarHBondContact O-N 3.09Å; M1-S4 WeakPolarHBondContact O-CA 2.8Å; M1-S4 WeakPolarHBondContact O-CB 3.2Å; M1-S4 PolarHBondContact O-N 3.04Å; M1-E5 PolarHBondContact O-N 3.05Å
2L44.7Very low67.3Low126 Ų12684.2 Ų84.266%0.6643%0.434SS*.Hα-helixtrans-40.3-42.9-178.2-77.5167000116.6E5 C6L2-E5 PolarHBondContact O-N 3.27Å; L2-C6 PolarHBondContact O-N 3.34Å; L2-C6 PolarHBondContact O-SG 2.74Å
3V54.3Low68.1Low105 Ų10578.2 Ų78.264%0.63640%0.403SS*.Hα-helixtrans-59.2-47.3176.1-179.10000111.8M1 E5 C6 E7M1-V3 VanDerWaalsContact C-N 3.26Å; M1-V3 PolarHBondContact O-N 3.09Å; V3-E5 VanDerWaalsContact C-N 3.32Å; V3-E5 PolarHBondContact O-N 2.94Å; V3-C6 PolarHBondContact O-N 3.06Å; V3-E7 HydrophobicContact CG1-CG 4.47Å; V3-E7 WeakPolarHBondContact O-CG 3.42Å; V3-E7 PolarHBondContact O-N 3.11Å
4S63.9Low69Low55 Ų5586.7 Ų86.739%0.38543%0.427SS..Hα-helixtrans-67.4-30.1178.8-178.80000112.8M1 K8M1-S4 WeakPolarHBondContact O-CA 2.8Å; M1-S4 WeakPolarHBondContact O-CB 3.2Å; M1-S4 PolarHBondContact O-N 3.04Å; S4-K8 WeakPolarHBondContact O-CB 3.41Å; S4-K8 WeakPolarHBondContact O-CD 3.49Å; S4-K8 WeakPolarHBondContact O-CG 3.42Å; S4-K8 PolarHBondContact O-N 2.99Å
5E66.8Low69.7Low77 Ų7786.5 Ų86.536%0.3645%0.445SS..Hα-helixtrans-70.5-44.5172.6-71.2161.2164.700110.5M1 L2 V3 K8 F9M1-E5 PolarHBondContact O-N 3.05Å; L2-E5 PolarHBondContact O-N 3.27Å; V3-E5 VanDerWaalsContact C-N 3.32Å; V3-E5 PolarHBondContact O-N 2.94Å; E5-K8 PolarHBondContact O-N 3.14Å; E5-F9 WeakPolarHBondContact O-CD2 3.36Å; E5-F9 PolarHBondContact O-N 3.16Å; E5-F9 VanDerWaalsContact O-N 3.08Å
6C67.8Low70.3Confident25 Ų2582.9 Ų82.917%0.16943%0.427CS..Hα-helixtrans-61.3-44.7173.5-640000111.9L2 V3 K8 F9 L10 S38 V41L2-C6 PolarHBondContact O-N 3.34Å; L2-C6 PolarHBondContact O-SG 2.74Å; V3-C6 PolarHBondContact O-N 3.06Å; C6-K8 PolarHBondContact O-N 2.95Å; C6-F9 PolarHBondContact O-N 3.42Å; C6-L10 VanDerWaalsContact O-CG 3.28Å; C6-L10 WeakPolarHBondContact O-CG 3.41Å; C6-L10 PolarHBondContact O-N 3.24Å; C6-S38 PolarHBondContact SG-OG 2.72Å; C6-S38 VanDerWaalsContact SG-OG 3.36Å; C6-V41 HydrophobicContact CB-CG2 4.27Å
7E76Confident70.5Confident115 Ų11580.4 Ų80.454%0.53742%0.417SS..Hα-helixtrans-60.8-42.7176.1-75.8-178131.900112.1V3 F9 L10 T11V3-E7 HydrophobicContact CG1-CG 4.47Å; V3-E7 WeakPolarHBondContact O-CG 3.42Å; V3-E7 PolarHBondContact O-N 3.11Å; E7-F9 VanDerWaalsContact C-N 3.33Å; E7-F9 PolarHBondContact O-N 3.29Å; E7-L10 CarbonylContact O-C 3.07Å; E7-L10 PolarHBondContact O-N 3.3Å; E7-T11 WeakPolarHBondContact O-CG2 3.34Å; E7-T11 PolarHBondContact O-N 3.13Å; E7-T11 PolarHBondContact O-OG1 2.7Å
8K76Confident70.4Confident130 Ų13082.4 Ų82.457%0.56544%0.436SS*.Hα-helixtrans-57.6-45.3174-77.1168.3-177.1179.90111.6S4 E5 C6 T11 K12S4-K8 WeakPolarHBondContact O-CB 3.41Å; S4-K8 WeakPolarHBondContact O-CD 3.49Å; S4-K8 WeakPolarHBondContact O-CG 3.42Å; S4-K8 PolarHBondContact O-N 2.99Å; E5-K8 PolarHBondContact O-N 3.14Å; C6-K8 PolarHBondContact O-N 2.95Å; K8-T11 WeakPolarHBondContact CA-OG1 3.48Å; K8-T11 PolarHBondContact O-N 3.16Å; K8-T11 PolarHBondContact O-OG1 3.16Å; K8-K12 PolarHBondContact O-N 3.29Å
9F74.3Confident70.3Confident39 Ų3982.9 Ų82.917%0.17144%0.443CS..Hα-helixtrans-62.5-42.8174.3-88.8-73.3000113.2E5 C6 E7 T11 K12 L13 E32 V41E5-F9 WeakPolarHBondContact O-CD2 3.36Å; E5-F9 PolarHBondContact O-N 3.16Å; E5-F9 VanDerWaalsContact O-N 3.08Å; C6-F9 PolarHBondContact O-N 3.42Å; E7-F9 VanDerWaalsContact C-N 3.33Å; E7-F9 PolarHBondContact O-N 3.29Å; F9-T11 VanDerWaalsContact C-N 3.32Å; F9-T11 PolarHBondContact O-N 3.38Å; F9-K12 HydrophobicContact CD1-CD 4.28Å; F9-K12 HydrophobicContact CE1-CD 4.41Å; F9-K12 WeakPolarHBondContact O-CB 3.37Å; F9-K12 PolarHBondContact O-N 3.07Å; F9-L13 WeakPolarHBondContact O-CG 3.18Å; F9-L13 PolarHBondContact O-N 3.26Å; F9-E32 HydrophobicContact CE1-CB 3.99Å; F9-E32 HydrophobicContact CE1-CG 3.51Å; F9-E32 WeakPolarHBondContact CE1-OE2 3.34Å; F9-E32 VanDerWaalsContact CZ-CD 3.42Å; F9-E32 HydrophobicContact CZ-CG 3.66Å; F9-E32 VanDerWaalsContact CZ-OE1 3.3Å; F9-E32 WeakPolarHBondContact CZ-OE1 3.5Å; F9-V41 HydrophobicContact CB-CG1 3.91Å; F9-V41 HydrophobicContact CB-CG2 4.02Å; F9-V41 HydrophobicContact CD1-CG1 4.48Å; F9-V41 HydrophobicContact CG-CG1 4.31Å
10L77Confident70.1Confident13 Ų1380.8 Ų80.87%0.06844%0.437CS..Hα-helixtrans-65.5-34.6176.2-67.1166.8000111.9C6 E7 R14 A44C6-L10 VanDerWaalsContact O-CG 3.28Å; C6-L10 WeakPolarHBondContact O-CG 3.41Å; C6-L10 PolarHBondContact O-N 3.24Å; E7-L10 CarbonylContact O-C 3.07Å; E7-L10 PolarHBondContact O-N 3.3Å; L10-R14 WeakPolarHBondContact O-CB 3.32Å; L10-R14 WeakPolarHBondContact O-CG 3.46Å; L10-R14 PolarHBondContact O-N 2.83Å; L10-A44 HydrophobicContact CD2-CB 3.43Å; L10-A44 VanDerWaalsContact CD2-CB 3.43Å
11T80.7Confident70Confident82 Ų8278.4 Ų78.450%0.50343%0.425SS..Hα-helixtrans-70.3-37172.154.70000112.9E7 K8 F9 A15E7-T11 WeakPolarHBondContact O-CG2 3.34Å; E7-T11 PolarHBondContact O-N 3.13Å; E7-T11 PolarHBondContact O-OG1 2.7Å; K8-T11 WeakPolarHBondContact CA-OG1 3.48Å; K8-T11 PolarHBondContact O-N 3.16Å; K8-T11 PolarHBondContact O-OG1 3.16Å; F9-T11 VanDerWaalsContact C-N 3.32Å; F9-T11 PolarHBondContact O-N 3.38Å; T11-A15 WeakPolarHBondContact O-CB 3.41Å; T11-A15 PolarHBondContact O-N 3.21Å
12K81.3Confident71Confident82 Ų8278 Ų7836%0.35742%0.422SS..Hα-helixtrans-58.3-51.6170-74-179.5173.6176.70110.3K8 F9 R14 A15 V29 E32K8-K12 PolarHBondContact O-N 3.29Å; F9-K12 HydrophobicContact CD1-CD 4.28Å; F9-K12 HydrophobicContact CE1-CD 4.41Å; F9-K12 WeakPolarHBondContact O-CB 3.37Å; F9-K12 PolarHBondContact O-N 3.07Å; K12-R14 PolarHBondContact O-N 3.14Å; K12-A15 PolarHBondContact O-N 3.38Å; K12-A15 VanDerWaalsContact O-N 3.15Å; K12-V29 HydrophobicContact CB-CG1 3.85Å; K12-V29 HydrophobicContact CD-CG1 4.33Å; K12-V29 HydrophobicContact CD-CG2 4.32Å; K12-E32 VanDerWaalsContact NZ-CD 3.31Å; K12-E32 IonicContact NZ-OE1 2.77Å; K12-E32 PolarHBondContact NZ-OE1 3.4Å; K12-E32 IonicContact NZ-OE2 3.43Å; K12-E32 PolarHBondContact NZ-OE2 3.36Å
13L77.3Confident72.2Confident7 Ų777.4 Ų77.44%0.03742%0.415CS..Hα-helixtrans-61.4-44-178.7-73.7167.2000112.6F9 A15 L16 V29 A33 V41 A44 C45 L48F9-L13 WeakPolarHBondContact O-CG 3.18Å; F9-L13 PolarHBondContact O-N 3.26Å; L13-A15 PolarHBondContact O-N 3.3Å; L13-L16 HydrophobicContact CD2-CD1 4.07Å; L13-L16 WeakPolarHBondContact O-CB 3.27Å; L13-L16 PolarHBondContact O-N 3.32Å; L13-V29 HydrophobicContact CD2-CG1 4.14Å; L13-V29 HydrophobicContact CG-CG1 4.45Å; L13-A33 HydrophobicContact CD1-CB 4.02Å; L13-A33 HydrophobicContact CD2-CB 3.97Å; L13-A33 HydrophobicContact CG-CB 4.34Å; L13-V41 HydrophobicContact CD1-CG1 4.11Å; L13-A44 HydrophobicContact CD1-CB 4.28Å; L13-C45 HydrophobicContact CD1-CB 4.44Å; L13-C45 HydrophobicContact CD2-CB 4.35Å; L13-L48 HydrophobicContact CD2-CD1 4.47Å; L13-L48 WeakPolarHBondContact O-CD1 3.37Å
14R80.6Confident72.6Confident197 Ų19779.7 Ų79.774%0.74342%0.423SS*.Hα-helixtrans-67-16.1176.7-71.4171-169.3165.85114.1L10 K12L10-R14 WeakPolarHBondContact O-CB 3.32Å; L10-R14 WeakPolarHBondContact O-CG 3.46Å; L10-R14 PolarHBondContact O-N 2.83Å; K12-R14 PolarHBondContact O-N 3.14Å
15A79.8Confident72.9Confident84 Ų8480.7 Ų80.769%0.69443%0.43SS*.THydrogen-bonded Turntrans-93.4-2.5176.800000113.5T11 K12 L13T11-A15 WeakPolarHBondContact O-CB 3.41Å; T11-A15 PolarHBondContact O-N 3.21Å; K12-A15 PolarHBondContact O-N 3.38Å; K12-A15 VanDerWaalsContact O-N 3.15Å; L13-A15 PolarHBondContact O-N 3.3Å
16L79.4Confident73.1Confident28 Ų2877.2 Ų77.215%0.14741%0.414CS..SBendtrans-76.2157.2176.2-57.8-176.4000111.5L13 V26 V29 I30 L48L13-L16 HydrophobicContact CD2-CD1 4.07Å; L13-L16 WeakPolarHBondContact O-CB 3.27Å; L13-L16 PolarHBondContact O-N 3.32Å; L16-V26 HydrophobicContact CB-CG1 4.39Å; L16-V26 HydrophobicContact CD1-CG1 4.08Å; L16-V26 HydrophobicContact CD2-CB 4.39Å; L16-V26 HydrophobicContact CD2-CG1 4.14Å; L16-V26 HydrophobicContact CD2-CG2 4.26Å; L16-V26 HydrophobicContact CG-CG1 4.43Å; L16-V29 HydrophobicContact CD1-CB 4.34Å; L16-V29 HydrophobicContact CD1-CG1 4.01Å; L16-V29 HydrophobicContact CD2-CB 4.32Å; L16-V29 HydrophobicContact CD2-CG1 4.34Å; L16-V29 HydrophobicContact CD2-CG2 4.49Å; L16-I30 HydrophobicContact CD1-CD1 4.44Å; L16-I30 HydrophobicContact CD1-CG1 4.07Å; L16-L48 HydrophobicContact CB-CD1 4.1Å; L16-L48 HydrophobicContact CD1-CD1 3.98Å; L16-L48 HydrophobicContact CG-CD1 4.49Å
17P73.5Confident73.3Confident41 Ų4177.1 Ų77.127%0.26641%0.412SS..  trans-61.1141.9178.4-23.935000112.8T19 T21 V26 W52P17-T19 PolarHBondContact O-N 2.98Å; P17-T21 HydrophobicContact CB-CG2 4.29Å; P17-T21 HydrophobicContact CG-CG2 4.24Å; P17-V26 HydrophobicContact CG-CG2 4.4Å; P17-W52 PolarHBondContact O-NE1 2.91Å
18P69.2Low73.1Confident116 Ų11673.3 Ų73.375%0.75340%0.404SS*.SBendtrans-71.5-9.917531.2-36.3000113.1
19T68.4Low73.2Confident93 Ų9368.2 Ų68.257%0.57138%0.383SS*.SBendtrans-109.3145.6176.850.70000111.1P17 T21P17-T19 PolarHBondContact O-N 2.98Å; T19-T21 PolarHBondContact O-N 3.28Å
20A66.8Low73.5Confident40 Ų4066.4 Ų66.433%0.33138%0.375SS..  trans-46.6126.717200000112.4I57A20-I57 HydrophobicContact CB-CD1 3.47Å; A20-I57 VanDerWaalsContact CB-CD1 3.47Å; A20-I57 HydrophobicContact CB-CG1 4.15Å
21T67.8Low73.6Confident31 Ų3167.7 Ų67.719%0.1938%0.382CS..  trans-140142.6177.342.40000110.3P17 T19 E23P17-T21 HydrophobicContact CB-CG2 4.29Å; P17-T21 HydrophobicContact CG-CG2 4.24Å; T19-T21 PolarHBondContact O-N 3.28Å; T21-E23 VanDerWaalsContact C-N 3.33Å
22Q65.5Low73.6Confident152 Ų15267.9 Ų67.971%0.7138%0.377SS*.  trans-9518.4177.8-65.1-174.6-4.900112.6L24Q22-L24 PolarHBondContact O-N 3.4Å
23E69.2Low73.7Confident113 Ų11364 Ų6453%0.52836%0.36SS..  trans-67.1129.4179-66.4-170177.900111.2T21 S25 V26 L27T21-E23 VanDerWaalsContact C-N 3.33Å; E23-S25 WeakPolarHBondContact CB-OG 3.37Å; E23-S25 PolarHBondContact O-N 2.91Å; E23-S25 VanDerWaalsContact O-N 3.14Å; E23-S25 PolarHBondContact OE2-OG 3.36Å; E23-V26 HydrophobicContact CB-CB 4.36Å; E23-V26 HydrophobicContact CB-CG2 3.94Å; E23-V26 PolarHBondContact O-N 3.11Å; E23-L27 WeakPolarHBondContact O-CG 3.48Å; E23-L27 PolarHBondContact O-N 3.02Å
24L62.7Low74Confident154 Ų15464.4 Ų64.481%0.80636%0.362SS*.Hα-helixtrans-57.6-30.8-178.3-111.388.2000113.3Q22 G28Q22-L24 PolarHBondContact O-N 3.4Å; L24-G28 PolarHBondContact O-N 3.2Å
25S69.8Low73.9Confident75 Ų7557.1 Ų57.152%0.52434%0.344SS..Hα-helixtrans-59.2-54.2173.2450000111.7E23 G28 V29E23-S25 WeakPolarHBondContact CB-OG 3.37Å; E23-S25 PolarHBondContact O-N 2.91Å; E23-S25 VanDerWaalsContact O-N 3.14Å; E23-S25 PolarHBondContact OE2-OG 3.36Å; S25-G28 PolarHBondContact O-N 2.91Å; S25-V29 WeakPolarHBondContact O-CG2 3.4Å; S25-V29 PolarHBondContact O-N 2.94Å; S25-V29 VanDerWaalsContact O-N 3.14Å
26V72.1Confident74Confident5 Ų554 Ų543%0.0332%0.316CS..Hα-helixtrans-63.9-48.1-179.5-178.70000110.2L16 P17 E23 G28 V29 I30 W52L16-V26 HydrophobicContact CB-CG1 4.39Å; L16-V26 HydrophobicContact CD1-CG1 4.08Å; L16-V26 HydrophobicContact CD2-CB 4.39Å; L16-V26 HydrophobicContact CD2-CG1 4.14Å; L16-V26 HydrophobicContact CD2-CG2 4.26Å; L16-V26 HydrophobicContact CG-CG1 4.43Å; P17-V26 HydrophobicContact CG-CG2 4.4Å; E23-V26 HydrophobicContact CB-CB 4.36Å; E23-V26 HydrophobicContact CB-CG2 3.94Å; E23-V26 PolarHBondContact O-N 3.11Å; V26-G28 VanDerWaalsContact C-N 3.32Å; V26-G28 PolarHBondContact O-N 3.36Å; V26-V29 PolarHBondContact O-N 3.44Å; V26-I30 HydrophobicContact CG1-CD1 4.17Å; V26-I30 WeakPolarHBondContact O-CG1 3.48Å; V26-I30 PolarHBondContact O-N 2.84Å; V26-I30 VanDerWaalsContact O-N 3.11Å; V26-W52 HydrophobicContact CG1-CH2 3.59Å; V26-W52 HydrophobicContact CG1-CZ2 3.77Å
27L71.1Confident74Confident23 Ų2357 Ų5712%0.1234%0.338CS..Hα-helixtrans-61.2-40.5177-64.2174000111.6E23 I30 N31 I57 L59E23-L27 WeakPolarHBondContact O-CG 3.48Å; E23-L27 PolarHBondContact O-N 3.02Å; L27-I30 PolarHBondContact O-N 3.46Å; L27-N31 VanDerWaalsContact O-CG 3.26Å; L27-N31 PolarHBondContact O-N 2.95Å; L27-N31 PolarHBondContact O-ND2 3.33Å; L27-I57 HydrophobicContact CD2-CG2 4.3Å; L27-L59 HydrophobicContact CD2-CD2 3.62Å
28G71.6Confident74.6Confident35 Ų3556.5 Ų56.536%0.36134%0.335SS..Hα-helixtrans-56.6-50.5175.100000112.5L24 S25 V26 I30 N31 E32L24-G28 PolarHBondContact O-N 3.2Å; S25-G28 PolarHBondContact O-N 2.91Å; V26-G28 VanDerWaalsContact C-N 3.32Å; V26-G28 PolarHBondContact O-N 3.36Å; G28-I30 VanDerWaalsContact C-N 3.33Å; G28-I30 PolarHBondContact O-N 2.91Å; G28-N31 PolarHBondContact O-N 3.49Å; G28-E32 WeakPolarHBondContact O-CB 3.37Å; G28-E32 PolarHBondContact O-N 3.28Å
29V79Confident75.5Confident23 Ų2351.3 Ų51.314%0.13930%0.302CS..Hα-helixtrans-61.1-39.4177.8173.60000112K12 L13 L16 S25 V26 E32 A33K12-V29 HydrophobicContact CB-CG1 3.85Å; K12-V29 HydrophobicContact CD-CG1 4.33Å; K12-V29 HydrophobicContact CD-CG2 4.32Å; L13-V29 HydrophobicContact CD2-CG1 4.14Å; L13-V29 HydrophobicContact CG-CG1 4.45Å; L16-V29 HydrophobicContact CD1-CB 4.34Å; L16-V29 HydrophobicContact CD1-CG1 4.01Å; L16-V29 HydrophobicContact CD2-CB 4.32Å; L16-V29 HydrophobicContact CD2-CG1 4.34Å; L16-V29 HydrophobicContact CD2-CG2 4.49Å; S25-V29 WeakPolarHBondContact O-CG2 3.4Å; S25-V29 PolarHBondContact O-N 2.94Å; S25-V29 VanDerWaalsContact O-N 3.14Å; V26-V29 PolarHBondContact O-N 3.44Å; V29-E32 PolarHBondContact O-N 3.39Å; V29-A33 VanDerWaalsContact O-CB 3.25Å; V29-A33 WeakPolarHBondContact O-CB 3.34Å; V29-A33 PolarHBondContact O-N 3.08Å
30I81Confident76.5Confident0 Ų051.6 Ų51.60%030%0.297CS..Hα-helixtrans-64.6-44.4177.8-72.6169.6000111.4L16 V26 L27 G28 A33 F34 L48 W52 L59L16-I30 HydrophobicContact CD1-CD1 4.44Å; L16-I30 HydrophobicContact CD1-CG1 4.07Å; V26-I30 HydrophobicContact CG1-CD1 4.17Å; V26-I30 WeakPolarHBondContact O-CG1 3.48Å; V26-I30 PolarHBondContact O-N 2.84Å; V26-I30 VanDerWaalsContact O-N 3.11Å; L27-I30 PolarHBondContact O-N 3.46Å; G28-I30 VanDerWaalsContact C-N 3.33Å; G28-I30 PolarHBondContact O-N 2.91Å; I30-A33 PolarHBondContact O-N 2.74Å; I30-F34 HydrophobicContact CG2-CD2 3.78Å; I30-F34 HydrophobicContact CG2-CE2 3.61Å; I30-F34 VanDerWaalsContact O-CD2 3.29Å; I30-F34 WeakPolarHBondContact O-CD2 3.35Å; I30-F34 PolarHBondContact O-N 2.82Å; I30-L48 HydrophobicContact CD1-CD2 4.25Å; I30-W52 HydrophobicContact CD1-CH2 3.38Å; I30-W52 HydrophobicContact CD1-CZ2 4.18Å; I30-W52 HydrophobicContact CD1-CZ3 3.61Å; I30-L59 HydrophobicContact CG2-CD1 3.97Å; I30-L59 HydrophobicContact CG2-CD2 3.97Å
31N79.7Confident77.5Confident40 Ų4049.7 Ų49.721%0.21428%0.281CS..Hα-helixtrans-66.9-39.5177.1-60.3-50.8000111.8L27 G28 A33 F34 A35 S60L27-N31 VanDerWaalsContact O-CG 3.26Å; L27-N31 PolarHBondContact O-N 2.95Å; L27-N31 PolarHBondContact O-ND2 3.33Å; G28-N31 PolarHBondContact O-N 3.49Å; N31-A33 VanDerWaalsContact C-N 3.33Å; N31-F34 PolarHBondContact O-N 3.31Å; N31-A35 WeakPolarHBondContact O-CB 3.36Å; N31-A35 PolarHBondContact O-N 3Å; N31-S60 WeakPolarHBondContact ND2-CB 3.26Å; N31-S60 PolarHBondContact ND2-OG 2.64Å; N31-S60 PolarHBondContact OD1-OG 3.27Å; N31-S60 VanDerWaalsContact OD1-OG 3.08Å
32E79.8Confident78.7Confident86 Ų8648.3 Ų48.340%0.40227%0.273SS..Hα-helixtrans-64.1-37.8175.5-157.3-168.9-177.800111.3F9 K12 G28 V29 C36F9-E32 HydrophobicContact CE1-CB 3.99Å; F9-E32 HydrophobicContact CE1-CG 3.51Å; F9-E32 WeakPolarHBondContact CE1-OE2 3.34Å; F9-E32 VanDerWaalsContact CZ-CD 3.42Å; F9-E32 HydrophobicContact CZ-CG 3.66Å; F9-E32 VanDerWaalsContact CZ-OE1 3.3Å; F9-E32 WeakPolarHBondContact CZ-OE1 3.5Å; K12-E32 VanDerWaalsContact NZ-CD 3.31Å; K12-E32 IonicContact NZ-OE1 2.77Å; K12-E32 PolarHBondContact NZ-OE1 3.4Å; K12-E32 IonicContact NZ-OE2 3.43Å; K12-E32 PolarHBondContact NZ-OE2 3.36Å; G28-E32 WeakPolarHBondContact O-CB 3.37Å; G28-E32 PolarHBondContact O-N 3.28Å; V29-E32 PolarHBondContact O-N 3.39Å; E32-C36 PolarHBondContact O-N 2.77Å
33A83.3Confident79.9Confident0 Ų041.6 Ų41.60%024%0.243CC..Hα-helixtrans-68.6-41.1175.600000113L13 V29 I30 N31 C36 V41 C45L13-A33 HydrophobicContact CD1-CB 4.02Å; L13-A33 HydrophobicContact CD2-CB 3.97Å; L13-A33 HydrophobicContact CG-CB 4.34Å; V29-A33 VanDerWaalsContact O-CB 3.25Å; V29-A33 WeakPolarHBondContact O-CB 3.34Å; V29-A33 PolarHBondContact O-N 3.08Å; I30-A33 PolarHBondContact O-N 2.74Å; N31-A33 VanDerWaalsContact C-N 3.33Å; A33-C36 WeakPolarHBondContact O-CB 3.24Å; A33-C36 PolarHBondContact O-N 3.01Å; A33-V41 HydrophobicContact CB-CG1 3.79Å; A33-C45 HydrophobicContact CB-CB 4.13Å
34F83.1Confident80.9Confident17 Ų1737.3 Ų37.38%0.07523%0.226CC..Hα-helixtrans-72.1-31.1174.9-74.1-51.1000113.6I30 N31 C36 R42 C45 L46 L49 L59 V67 H71I30-F34 HydrophobicContact CG2-CD2 3.78Å; I30-F34 HydrophobicContact CG2-CE2 3.61Å; I30-F34 VanDerWaalsContact O-CD2 3.29Å; I30-F34 WeakPolarHBondContact O-CD2 3.35Å; I30-F34 PolarHBondContact O-N 2.82Å; N31-F34 PolarHBondContact O-N 3.31Å; F34-C36 PolarHBondContact O-N 3.26Å; F34-R42 HydrophobicContact CD1-CB 4.47Å; F34-R42 VanDerWaalsContact O-CD 3.25Å; F34-R42 WeakPolarHBondContact O-CD 3.19Å; F34-C45 HydrophobicContact CD1-CB 4.19Å; F34-C45 HydrophobicContact CE1-CB 3.74Å; F34-C45 HydrophobicContact CE2-CB 4.43Å; F34-C45 VanDerWaalsContact CE2-SG 3.59Å; F34-C45 HydrophobicContact CZ-CB 3.88Å; F34-C45 VanDerWaalsContact CZ-SG 3.59Å; F34-L46 HydrophobicContact CE1-CD2 3.87Å; F34-L46 HydrophobicContact CE1-CG 3.95Å; F34-L46 HydrophobicContact CZ-CD2 3.99Å; F34-L46 HydrophobicContact CZ-CG 4.39Å; F34-L49 HydrophobicContact CE2-CD1 3.92Å; F34-L49 HydrophobicContact CZ-CD1 3.73Å; F34-L49 HydrophobicContact CZ-CG 4.49Å; F34-L59 HydrophobicContact CE2-CD1 4.26Å; F34-V67 HydrophobicContact CD2-CG1 3.94Å; F34-V67 HydrophobicContact CE2-CG1 3.75Å; F34-V67 HydrophobicContact CG-CG1 4.47Å; F34-V67 HydrophobicContact CZ-CG1 4.14Å; F34-H71 AromaticContact CD1-CE1 3.1Å; F34-H71 WeakPolarHBondContact CD1-CE1 3.35Å; F34-H71 AromaticContact CD1-NE2 3.21Å; F34-H71 WeakPolarHBondContact CD1-NE2 3.49Å; F34-H71 AromaticContact CE1-CE1 3.28Å; F34-H71 WeakPolarHBondContact CE1-CE1 3.23Å; F34-H71 AromaticContact CE1-ND1 3.93Å; F34-H71 AromaticContact CE1-NE2 3.64Å; F34-H71 AromaticContact CG-CE1 3.73Å
35A79.8Confident82.2Confident43 Ų4330 Ų3036%0.35519%0.188SC..THydrogen-bonded Turntrans-70.5-11.7170.100000113.2N31N31-A35 WeakPolarHBondContact O-CB 3.36Å; N31-A35 PolarHBondContact O-N 3Å
36C82.2Confident83.2Confident18 Ų1826.4 Ų26.412%0.12216%0.163CC..  trans-68129.7-178.5-165.80000111.3E32 A33 F34 S38 V41 R42E32-C36 PolarHBondContact O-N 2.77Å; A33-C36 WeakPolarHBondContact O-CB 3.24Å; A33-C36 PolarHBondContact O-N 3.01Å; F34-C36 PolarHBondContact O-N 3.26Å; C36-S38 PolarHBondContact O-N 2.97Å; C36-V41 HydrophobicContact CB-CB 4.03Å; C36-V41 HydrophobicContact CB-CG1 3.88Å; C36-R42 PolarHBondContact O-NH1 2.85Å
37P78.6Confident84.1Confident91 Ų9129 Ų2959%0.59118%0.176SC*.SBendtrans-65.8-21175.327.1-35.1000112.5A39 R42P37-A39 PolarHBondContact O-N 3.33Å; P37-R42 VanDerWaalsContact C-NH1 3.3Å; P37-R42 PolarHBondContact O-NH1 3.47Å
38S86.5Confident84.9Confident31 Ų3129.3 Ų29.322%0.21718%0.178CC..  trans-70.7108.9176.7-172.80000111.4C6 C36 H40 V41 R42C6-S38 PolarHBondContact SG-OG 2.72Å; C6-S38 VanDerWaalsContact SG-OG 3.36Å; C36-S38 PolarHBondContact O-N 2.97Å; S38-H40 PolarHBondContact O-N 3.13Å; S38-H40 VanDerWaalsContact O-N 3.12Å; S38-V41 PolarHBondContact O-N 3.12Å; S38-R42 PolarHBondContact O-N 2.92Å
39A87.3Confident85.7Confident8 Ų827.7 Ų27.77%0.06616%0.161CC..Hα-helixtrans-52.9-31.3173.900000113.2P37 V41 R42 S43 D76 V79P37-A39 PolarHBondContact O-N 3.33Å; A39-V41 VanDerWaalsContact C-N 3.3Å; A39-V41 PolarHBondContact O-N 2.95Å; A39-R42 PolarHBondContact O-N 2.86Å; A39-S43 WeakPolarHBondContact O-CB 3.3Å; A39-S43 PolarHBondContact O-N 3.46Å; A39-S43 PolarHBondContact O-OG 3.08Å; A39-D76 HydrophobicContact CB-CB 3.62Å; A39-D76 WeakPolarHBondContact CB-OD2 3.47Å; A39-V79 HydrophobicContact CB-CG2 3.73Å; A39-V79 WeakPolarHBondContact O-CG2 3.32Å
40H89.1Confident86.2Confident99 Ų9927.3 Ų27.346%0.45816%0.16SC..Hα-helixtrans-69.2-26.5177.9-170.933.5000113.3S38 S43 A44S38-H40 PolarHBondContact O-N 3.13Å; S38-H40 VanDerWaalsContact O-N 3.12Å; H40-S43 VanDerWaalsContact C-OG 3.27Å; H40-S43 VanDerWaalsContact CA-OG 3.25Å; H40-S43 WeakPolarHBondContact CA-OG 3.22Å; H40-S43 PolarHBondContact O-OG 3.33Å; H40-A44 WeakPolarHBondContact O-CB 3.48Å; H40-A44 PolarHBondContact O-N 2.95Å
41V89.3Confident86.3Confident0 Ų029.5 Ų29.50%018%0.182CC..Hα-helixtrans-79.1-42.6174178.30000110C6 F9 L13 A33 C36 S38 A39 A44 C45C6-V41 HydrophobicContact CB-CG2 4.27Å; F9-V41 HydrophobicContact CB-CG1 3.91Å; F9-V41 HydrophobicContact CB-CG2 4.02Å; F9-V41 HydrophobicContact CD1-CG1 4.48Å; F9-V41 HydrophobicContact CG-CG1 4.31Å; L13-V41 HydrophobicContact CD1-CG1 4.11Å; A33-V41 HydrophobicContact CB-CG1 3.79Å; C36-V41 HydrophobicContact CB-CB 4.03Å; C36-V41 HydrophobicContact CB-CG1 3.88Å; S38-V41 PolarHBondContact O-N 3.12Å; A39-V41 VanDerWaalsContact C-N 3.3Å; A39-V41 PolarHBondContact O-N 2.95Å; V41-A44 PolarHBondContact O-N 3.35Å; V41-C45 WeakPolarHBondContact O-CB 3.4Å; V41-C45 PolarHBondContact O-N 3.24Å
42R91.1Very high86.6Confident2 Ų228.3 Ų28.31%0.00818%0.175CC..Hα-helixtrans-61.7-43.4174-59.3-158.9-60.3-74.23.4111.9F34 C36 P37 S38 A39 A44 C45 L46 D74 V79F34-R42 HydrophobicContact CD1-CB 4.47Å; F34-R42 VanDerWaalsContact O-CD 3.25Å; F34-R42 WeakPolarHBondContact O-CD 3.19Å; C36-R42 PolarHBondContact O-NH1 2.85Å; P37-R42 VanDerWaalsContact C-NH1 3.3Å; P37-R42 PolarHBondContact O-NH1 3.47Å; S38-R42 PolarHBondContact O-N 2.92Å; A39-R42 PolarHBondContact O-N 2.86Å; R42-A44 PolarHBondContact O-N 3.22Å; R42-C45 WeakPolarHBondContact O-CB 3.49Å; R42-C45 PolarHBondContact O-N 3.27Å; R42-L46 WeakPolarHBondContact O-CG 3.49Å; R42-L46 PolarHBondContact O-N 3.01Å; R42-D74 IonicContact CZ-OD1 3.12Å; R42-D74 IonicContact CZ-OD2 2.57Å; R42-D74 VanDerWaalsContact CZ-OD2 3.26Å; R42-D74 IonicContact NE-OD2 2.69Å; R42-D74 PolarHBondContact NE-OD2 2.99Å; R42-D74 VanDerWaalsContact NH2-CG 3.28Å; R42-D74 IonicContact NH2-OD1 2.91Å; R42-D74 PolarHBondContact NH2-OD1 2.77Å; R42-D74 IonicContact NH2-OD2 2.73Å; R42-D74 PolarHBondContact NH2-OD2 2.8Å; R42-V79 HydrophobicContact CB-CG1 3.93Å; R42-V79 HydrophobicContact CB-CG2 4.01Å
43S91.2Very high86.7Confident11 Ų1125.8 Ų25.88%0.07716%0.164CC..Hα-helixtrans-58.2-48.9175.563.20000112.2A39 H40 C45 L46 D47A39-S43 WeakPolarHBondContact O-CB 3.3Å; A39-S43 PolarHBondContact O-N 3.46Å; A39-S43 PolarHBondContact O-OG 3.08Å; H40-S43 VanDerWaalsContact C-OG 3.27Å; H40-S43 VanDerWaalsContact CA-OG 3.25Å; H40-S43 WeakPolarHBondContact CA-OG 3.22Å; H40-S43 PolarHBondContact O-OG 3.33Å; S43-C45 PolarHBondContact O-N 3.24Å; S43-L46 WeakPolarHBondContact O-CB 3.31Å; S43-L46 PolarHBondContact O-N 3.46Å; S43-L46 VanDerWaalsContact O-N 3.08Å; S43-D47 PolarHBondContact O-N 2.94Å
44A89.8Confident86.8Confident22 Ų2226.7 Ų26.718%0.18217%0.171CC..Hα-helixtrans-66.1-27.9-18000000112.7L10 L13 H40 V41 R42 L48L10-A44 HydrophobicContact CD2-CB 3.43Å; L10-A44 VanDerWaalsContact CD2-CB 3.43Å; L13-A44 HydrophobicContact CD1-CB 4.28Å; H40-A44 WeakPolarHBondContact O-CB 3.48Å; H40-A44 PolarHBondContact O-N 2.95Å; V41-A44 PolarHBondContact O-N 3.35Å; R42-A44 PolarHBondContact O-N 3.22Å; A44-L48 PolarHBondContact O-N 2.85Å; A44-L48 VanDerWaalsContact O-N 3.14Å
45C90Very high86.8Confident0 Ų025.9 Ų25.90%017%0.167CC..Hα-helixtrans-71.7-35.2172.8-157.50000112.2L13 A33 F34 V41 R42 S43 L48 L49L13-C45 HydrophobicContact CD1-CB 4.44Å; L13-C45 HydrophobicContact CD2-CB 4.35Å; A33-C45 HydrophobicContact CB-CB 4.13Å; F34-C45 HydrophobicContact CD1-CB 4.19Å; F34-C45 HydrophobicContact CE1-CB 3.74Å; F34-C45 HydrophobicContact CE2-CB 4.43Å; F34-C45 VanDerWaalsContact CE2-SG 3.59Å; F34-C45 HydrophobicContact CZ-CB 3.88Å; F34-C45 VanDerWaalsContact CZ-SG 3.59Å; V41-C45 WeakPolarHBondContact O-CB 3.4Å; V41-C45 PolarHBondContact O-N 3.24Å; R42-C45 WeakPolarHBondContact O-CB 3.49Å; R42-C45 PolarHBondContact O-N 3.27Å; S43-C45 PolarHBondContact O-N 3.24Å; C45-L48 PolarHBondContact O-N 2.93Å; C45-L49 WeakPolarHBondContact O-CG 3.47Å; C45-L49 PolarHBondContact O-N 3.01Å; C45-L49 VanDerWaalsContact O-N 3.07Å
46L91.6Very high86.9Confident0 Ų028.7 Ų28.70%017%0.173CC..Hα-helixtrans-70-41.7172.2-65.8168000112.1F34 R42 S43 L48 L49 S50 V68 H71 V79 R82F34-L46 HydrophobicContact CE1-CD2 3.87Å; F34-L46 HydrophobicContact CE1-CG 3.95Å; F34-L46 HydrophobicContact CZ-CD2 3.99Å; F34-L46 HydrophobicContact CZ-CG 4.39Å; R42-L46 WeakPolarHBondContact O-CG 3.49Å; R42-L46 PolarHBondContact O-N 3.01Å; S43-L46 WeakPolarHBondContact O-CB 3.31Å; S43-L46 PolarHBondContact O-N 3.46Å; S43-L46 VanDerWaalsContact O-N 3.08Å; L46-L48 PolarHBondContact O-N 3.25Å; L46-L49 PolarHBondContact O-N 3.32Å; L46-S50 PolarHBondContact O-N 3.43Å; L46-V68 HydrophobicContact CD2-CB 4.47Å; L46-V68 HydrophobicContact CD2-CG2 3.87Å; L46-H71 HydrophobicContact CD1-CB 4.08Å; L46-H71 HydrophobicContact CD2-CB 4.26Å; L46-V79 HydrophobicContact CD1-CG1 3.56Å; L46-V79 WeakPolarHBondContact CD1-O 3.41Å; L46-R82 HydrophobicContact CB-CB 3.94Å; L46-R82 HydrophobicContact CD1-CB 3.84Å
47D90.4Very high86.8Confident59 Ų5928.3 Ų28.332%0.31617%0.169SC..Hα-helixtrans-57.4-39.1173.1-67.9-56.7000110.5S43 S50 G51 R82S43-D47 PolarHBondContact O-N 2.94Å; D47-S50 WeakPolarHBondContact O-CB 3.35Å; D47-S50 PolarHBondContact O-N 3.39Å; D47-S50 PolarHBondContact O-OG 3.14Å; D47-G51 PolarHBondContact O-N 3.23Å; D47-R82 WeakPolarHBondContact OD1-CD 3.45Å; D47-R82 IonicContact OD1-CZ 2.79Å; D47-R82 IonicContact OD1-NE 2.77Å; D47-R82 IonicContact OD1-NH1 3.77Å; D47-R82 PolarHBondContact OD1-NH1 2.82Å
48L88.2Confident86.5Confident30 Ų3028.1 Ų28.116%0.15717%0.169CC..Hα-helixtrans-65.9-47.2175.2-176.5150.7000113L13 L16 I30 A44 C45 L46 S50 G51 W52L13-L48 HydrophobicContact CD2-CD1 4.47Å; L13-L48 WeakPolarHBondContact O-CD1 3.37Å; L16-L48 HydrophobicContact CB-CD1 4.1Å; L16-L48 HydrophobicContact CD1-CD1 3.98Å; L16-L48 HydrophobicContact CG-CD1 4.49Å; I30-L48 HydrophobicContact CD1-CD2 4.25Å; A44-L48 PolarHBondContact O-N 2.85Å; A44-L48 VanDerWaalsContact O-N 3.14Å; C45-L48 PolarHBondContact O-N 2.93Å; L46-L48 PolarHBondContact O-N 3.25Å; L48-S50 PolarHBondContact O-N 3.4Å; L48-G51 PolarHBondContact O-N 3.42Å; L48-G51 VanDerWaalsContact O-N 3.16Å; L48-W52 HydrophobicContact CD2-CD2 3.98Å; L48-W52 HydrophobicContact CD2-CE3 4.41Å; L48-W52 HydrophobicContact CD2-CG 4.49Å; L48-W52 HydrophobicContact CD2-CH2 4.44Å; L48-W52 HydrophobicContact CD2-CZ2 3.93Å; L48-W52 PolarHBondContact O-N 3.04Å
49L88.8Confident85.7Confident2 Ų227 Ų271%0.0116%0.161CC..Hα-helixtrans-61.3-31.5174.8-69-174.5000112.3F34 C45 L46 G51 W52 L59 A64 V68 W90F34-L49 HydrophobicContact CE2-CD1 3.92Å; F34-L49 HydrophobicContact CZ-CD1 3.73Å; F34-L49 HydrophobicContact CZ-CG 4.49Å; C45-L49 WeakPolarHBondContact O-CG 3.47Å; C45-L49 PolarHBondContact O-N 3.01Å; C45-L49 VanDerWaalsContact O-N 3.07Å; L46-L49 PolarHBondContact O-N 3.32Å; L49-G51 VanDerWaalsContact C-N 3.3Å; L49-G51 PolarHBondContact O-N 2.91Å; L49-W52 HydrophobicContact CD2-CD2 4.49Å; L49-W52 HydrophobicContact CD2-CE3 3.69Å; L49-W52 HydrophobicContact CD2-CZ3 4.09Å; L49-W52 PolarHBondContact O-N 2.97Å; L49-L59 HydrophobicContact CD1-CD1 4.26Å; L49-A64 HydrophobicContact CD1-CB 4.43Å; L49-A64 HydrophobicContact CD2-CB 4.36Å; L49-V68 HydrophobicContact CB-CG2 4.45Å; L49-V68 HydrophobicContact CD1-CG2 3.79Å; L49-W90 HydrophobicContact CB-CZ2 4.44Å; L49-W90 PolarHBondContact O-NE1 3.06Å
50S88.3Confident84.6Confident15 Ų1529.4 Ų29.411%0.10518%0.177CC..Hα-helixtrans-62.2-38.1176.384.40000112.1L46 D47 L48 N53 C86 W90L46-S50 PolarHBondContact O-N 3.43Å; D47-S50 WeakPolarHBondContact O-CB 3.35Å; D47-S50 PolarHBondContact O-N 3.39Å; D47-S50 PolarHBondContact O-OG 3.14Å; L48-S50 PolarHBondContact O-N 3.4Å; S50-N53 PolarHBondContact O-ND2 3Å; S50-N53 VanDerWaalsContact O-ND2 3.13Å; S50-C86 VanDerWaalsContact CA-SG 3.53Å; S50-C86 PolarHBondContact N-SG 2.89Å; S50-W90 PolarHBondContact O-NE1 3.15Å
51G85.1Confident83.1Confident46 Ų4625.2 Ų25.247%0.47416%0.159SC..Hα-helixtrans-69.6-35.3176.300000113.5D47 L48 L49 N53D47-G51 PolarHBondContact O-N 3.23Å; L48-G51 PolarHBondContact O-N 3.42Å; L48-G51 VanDerWaalsContact O-N 3.16Å; L49-G51 VanDerWaalsContact C-N 3.3Å; L49-G51 PolarHBondContact O-N 2.91Å; G51-N53 VanDerWaalsContact C-N 3.32Å; G51-N53 PolarHBondContact O-N 3.19Å; G51-N53 PolarHBondContact O-ND2 3.13Å
52W84.5Confident82.2Confident14 Ų1425.6 Ų25.65%0.05316%0.163CC..Hα-helixtrans-66.6-25.9-177.6-78.95.2000114.8P17 V26 I30 L48 L49 S54 I57P17-W52 PolarHBondContact O-NE1 2.91Å; V26-W52 HydrophobicContact CG1-CH2 3.59Å; V26-W52 HydrophobicContact CG1-CZ2 3.77Å; I30-W52 HydrophobicContact CD1-CH2 3.38Å; I30-W52 HydrophobicContact CD1-CZ2 4.18Å; I30-W52 HydrophobicContact CD1-CZ3 3.61Å; L48-W52 HydrophobicContact CD2-CD2 3.98Å; L48-W52 HydrophobicContact CD2-CE3 4.41Å; L48-W52 HydrophobicContact CD2-CG 4.49Å; L48-W52 HydrophobicContact CD2-CH2 4.44Å; L48-W52 HydrophobicContact CD2-CZ2 3.93Å; L48-W52 PolarHBondContact O-N 3.04Å; L49-W52 HydrophobicContact CD2-CD2 4.49Å; L49-W52 HydrophobicContact CD2-CE3 3.69Å; L49-W52 HydrophobicContact CD2-CZ3 4.09Å; L49-W52 PolarHBondContact O-N 2.97Å; W52-S54 PolarHBondContact O-N 2.94Å; W52-I57 HydrophobicContact CB-CD1 4.43Å; W52-I57 HydrophobicContact CD2-CD1 4.24Å; W52-I57 HydrophobicContact CE3-CD1 3.37Å; W52-I57 HydrophobicContact CZ3-CD1 3.84Å; W52-I57 HydrophobicContact CZ3-CG2 4.49Å
53N82.8Confident81.9Confident33 Ų3326.5 Ų26.518%0.17617%0.17CC..  trans56.18.2175.6-76.3-91.6000117.7S50 G51 P55 S93 L123S50-N53 PolarHBondContact O-ND2 3Å; S50-N53 VanDerWaalsContact O-ND2 3.13Å; G51-N53 VanDerWaalsContact C-N 3.32Å; G51-N53 PolarHBondContact O-N 3.19Å; G51-N53 PolarHBondContact O-ND2 3.13Å; N53-P55 WeakPolarHBondContact O-CD 3.32Å; N53-S93 WeakPolarHBondContact OD1-CB 3.32Å; N53-S93 PolarHBondContact OD1-OG 2.82Å; N53-L123 WeakPolarHBondContact O-CD2 3.43Å
54S84.3Confident81.6Confident20 Ų2026 Ų2614%0.1417%0.167CC..  trans-113.595177.7-80.20000111.1W52 Q56 I57 E122W52-S54 PolarHBondContact O-N 2.94Å; S54-Q56 PolarHBondContact O-N 3.1Å; S54-I57 VanDerWaalsContact O-CD1 3.31Å; S54-I57 WeakPolarHBondContact O-CD1 3.24Å; S54-I57 VanDerWaalsContact O-CG1 3.3Å; S54-I57 WeakPolarHBondContact O-CG1 3.41Å; S54-E122 WeakPolarHBondContact CA-OE1 3.36Å; S54-E122 WeakPolarHBondContact CB-OE1 3.27Å; S54-E122 WeakPolarHBondContact CB-OE2 3.49Å; S54-E122 PolarHBondContact OG-OE2 3.49Å
55P83Confident81.5Confident0 Ų025 Ų250%016%0.158CC..THydrogen-bonded Turntrans-69-18.9-178.828.7-36.5000113.7N53 I57 S63 A64 G65 W90 E122 L123 W126N53-P55 WeakPolarHBondContact O-CD 3.32Å; P55-I57 VanDerWaalsContact C-N 3.34Å; P55-S63 WeakPolarHBondContact O-CB 3.41Å; P55-A64 PolarHBondContact O-N 3.19Å; P55-A64 VanDerWaalsContact O-N 3.1Å; P55-G65 PolarHBondContact O-N 3.06Å; P55-W90 HydrophobicContact CB-CE3 4.13Å; P55-W90 HydrophobicContact CB-CH2 4.02Å; P55-W90 HydrophobicContact CB-CZ3 3.72Å; P55-E122 WeakPolarHBondContact CD-OE1 3.36Å; P55-E122 VanDerWaalsContact N-OE1 3.16Å; P55-L123 HydrophobicContact CG-CD2 4.05Å; P55-W126 HydrophobicContact CB-CB 4.23Å; P55-W126 HydrophobicContact CB-CD2 3.63Å; P55-W126 HydrophobicContact CB-CE3 3.99Å; P55-W126 HydrophobicContact CB-CG 3.68Å; P55-W126 HydrophobicContact CG-CB 3.59Å; P55-W126 HydrophobicContact CG-CD2 3.93Å; P55-W126 HydrophobicContact CG-CE3 4.2Å; P55-W126 HydrophobicContact CG-CG 3.61Å
56Q83.1Confident81.3Confident102 Ų10227.4 Ų27.448%0.47717%0.169SC..THydrogen-bonded Turntrans-87.83.9-176.6-57.8-164.429.500114S54 C58 E122 W126S54-Q56 PolarHBondContact O-N 3.1Å; Q56-C58 PolarHBondContact O-N 3.38Å; Q56-E122 HydrophobicContact CB-CG 4.13Å; Q56-E122 WeakPolarHBondContact CB-OE1 3.46Å; Q56-E122 HydrophobicContact CG-CG 3.82Å; Q56-E122 PolarHBondContact N-OE1 3.24Å; Q56-E122 PolarHBondContact NE2-O 3.05Å; Q56-W126 HydrophobicContact CG-CB 4.22Å; Q56-W126 HydrophobicContact CG-CG 4.46Å
57I80.8Confident81.1Confident10 Ų1027.7 Ų27.75%0.05117%0.171CC..  trans-58.1123.1172.2-58.8163.2000109.4A20 L27 W52 S54 P55 L59 S63 A64A20-I57 HydrophobicContact CB-CD1 3.47Å; A20-I57 VanDerWaalsContact CB-CD1 3.47Å; A20-I57 HydrophobicContact CB-CG1 4.15Å; L27-I57 HydrophobicContact CD2-CG2 4.3Å; W52-I57 HydrophobicContact CB-CD1 4.43Å; W52-I57 HydrophobicContact CD2-CD1 4.24Å; W52-I57 HydrophobicContact CE3-CD1 3.37Å; W52-I57 HydrophobicContact CZ3-CD1 3.84Å; W52-I57 HydrophobicContact CZ3-CG2 4.49Å; S54-I57 VanDerWaalsContact O-CD1 3.31Å; S54-I57 WeakPolarHBondContact O-CD1 3.24Å; S54-I57 VanDerWaalsContact O-CG1 3.3Å; S54-I57 WeakPolarHBondContact O-CG1 3.41Å; P55-I57 VanDerWaalsContact C-N 3.34Å; I57-L59 HydrophobicContact CG2-CD2 4.28Å; I57-L59 PolarHBondContact O-N 3.41Å; I57-L59 VanDerWaalsContact O-N 3.07Å; I57-S63 CarbonylContact O-C 3.52Å; I57-S63 WeakPolarHBondContact O-CA 3.36Å; I57-A64 HydrophobicContact CB-CB 4.21Å; I57-A64 PolarHBondContact O-N 2.88Å
58C71.5Confident81.2Confident87 Ų8724.9 Ų24.959%0.58816%0.156SC*.EExtended strand (participates in β ladder)trans-69.8100.7172.2-66.40000110.8Q56Q56-C58 PolarHBondContact O-N 3.38Å
59L69.9Low81.3Confident8 Ų824.6 Ų24.64%0.04216%0.155CC..EExtended strand (participates in β ladder)trans-77.7165.6157.7-52.6-176000108.3L27 I30 F34 L49 I57 A61 G62 A64 V67L27-L59 HydrophobicContact CD2-CD2 3.62Å; I30-L59 HydrophobicContact CG2-CD1 3.97Å; I30-L59 HydrophobicContact CG2-CD2 3.97Å; F34-L59 HydrophobicContact CE2-CD1 4.26Å; L49-L59 HydrophobicContact CD1-CD1 4.26Å; I57-L59 HydrophobicContact CG2-CD2 4.28Å; I57-L59 PolarHBondContact O-N 3.41Å; I57-L59 VanDerWaalsContact O-N 3.07Å; L59-A61 PolarHBondContact O-N 3.03Å; L59-G62 CarbonylContact C-O 3.58Å; L59-G62 WeakPolarHBondContact CA-O 3.44Å; L59-G62 WeakPolarHBondContact CB-O 3.45Å; L59-G62 PolarHBondContact N-O 3.15Å; L59-G62 PolarHBondContact O-N 2.95Å; L59-A64 HydrophobicContact CD1-CB 4.17Å; L59-A64 HydrophobicContact CG-CB 4.25Å; L59-V67 HydrophobicContact CD1-CB 4.13Å; L59-V67 HydrophobicContact CD1-CG1 4.27Å; L59-V67 HydrophobicContact CD1-CG2 4.05Å
60S62.9Low81.3Confident57 Ų5726.6 Ų26.640%0.39916%0.162SC..THydrogen-bonded Turntrans-66.6-24.4-176.668.90000112.8N31 L723N31-S60 WeakPolarHBondContact ND2-CB 3.26Å; N31-S60 PolarHBondContact ND2-OG 2.64Å; N31-S60 PolarHBondContact OD1-OG 3.27Å; N31-S60 VanDerWaalsContact OD1-OG 3.08Å; S60-L723 VanDerWaalsContact O-CD1 3.28Å; S60-L723 WeakPolarHBondContact O-CD1 3.28Å
61A58Low81.4Confident11 Ų1125.9 Ų25.99%0.09116%0.157CC..THydrogen-bonded Turntrans-81.2-24.917900000114.5L59 V67 W70 L723L59-A61 PolarHBondContact O-N 3.03Å; A61-V67 HydrophobicContact CB-CG2 4Å; A61-W70 HydrophobicContact CB-CH2 4.32Å; A61-W70 HydrophobicContact CB-CZ3 3.97Å; A61-L723 HydrophobicContact CB-CB 3.58Å; A61-L723 HydrophobicContact CB-CD1 4.15Å; A61-L723 HydrophobicContact CB-CG 4.44Å
62G71Confident81.8Confident8 Ų824.4 Ų24.48%0.08214%0.139CC..EExtended strand (participates in β ladder)trans156.5-167.8-168.400000111.4L59L59-G62 CarbonylContact C-O 3.58Å; L59-G62 WeakPolarHBondContact CA-O 3.44Å; L59-G62 WeakPolarHBondContact CB-O 3.45Å; L59-G62 PolarHBondContact N-O 3.15Å; L59-G62 PolarHBondContact O-N 2.95Å
63S84.5Confident82Confident21 Ų2126.5 Ų26.515%0.14716%0.159CC..EExtended strand (participates in β ladder)trans-64.9151.1171.259.50000111.5P55 I57 G65 E66 V67P55-S63 WeakPolarHBondContact O-CB 3.41Å; I57-S63 CarbonylContact O-C 3.52Å; I57-S63 WeakPolarHBondContact O-CA 3.36Å; S63-G65 PolarHBondContact O-N 3.41Å; S63-E66 PolarHBondContact N-OE2 3.32Å; S63-E66 WeakPolarHBondContact O-CB 3.33Å; S63-E66 PolarHBondContact O-N 2.9Å; S63-E66 VanDerWaalsContact O-N 3.15Å; S63-E66 VanDerWaalsContact OG-CB 3.26Å; S63-E66 WeakPolarHBondContact OG-CB 3.47Å; S63-E66 VanDerWaalsContact OG-CG 3.28Å; S63-E66 WeakPolarHBondContact OG-CG 3.36Å; S63-E66 PolarHBondContact OG-N 3.11Å; S63-E66 PolarHBondContact OG-OE2 3.41Å; S63-V67 PolarHBondContact O-N 3.45Å
64A85.7Confident82.4Confident1 Ų125.3 Ų25.31%0.00815%0.153CC..Hα-helixtrans-57.3-38.1176.800000111.9L49 P55 I57 L59 V67 V68L49-A64 HydrophobicContact CD1-CB 4.43Å; L49-A64 HydrophobicContact CD2-CB 4.36Å; P55-A64 PolarHBondContact O-N 3.19Å; P55-A64 VanDerWaalsContact O-N 3.1Å; I57-A64 HydrophobicContact CB-CB 4.21Å; I57-A64 PolarHBondContact O-N 2.88Å; L59-A64 HydrophobicContact CD1-CB 4.17Å; L59-A64 HydrophobicContact CG-CB 4.25Å; A64-V67 PolarHBondContact O-N 2.86Å; A64-V68 WeakPolarHBondContact O-CG2 3.18Å; A64-V68 PolarHBondContact O-N 3.02Å
65G86.8Confident82.5Confident0 Ų027.5 Ų27.50%018%0.179CC..Hα-helixtrans-65.4-41174.500000113.8P55 S63 V67 V68 L69 W126P55-G65 PolarHBondContact O-N 3.06Å; S63-G65 PolarHBondContact O-N 3.41Å; G65-V67 PolarHBondContact O-N 2.79Å; G65-V68 PolarHBondContact O-N 2.82Å; G65-L69 WeakPolarHBondContact O-CB 3.27Å; G65-L69 PolarHBondContact O-N 3.14Å; G65-W126 VanDerWaalsContact CA-CZ2 3.42Å
66E86.8Confident82.9Confident52 Ų5229.1 Ų29.124%0.24319%0.188CC..Hα-helixtrans-57.8-46.8170.8-94.5180108.800111.8S63 L69 W70 K724S63-E66 PolarHBondContact N-OE2 3.32Å; S63-E66 WeakPolarHBondContact O-CB 3.33Å; S63-E66 PolarHBondContact O-N 2.9Å; S63-E66 VanDerWaalsContact O-N 3.15Å; S63-E66 VanDerWaalsContact OG-CB 3.26Å; S63-E66 WeakPolarHBondContact OG-CB 3.47Å; S63-E66 VanDerWaalsContact OG-CG 3.28Å; S63-E66 WeakPolarHBondContact OG-CG 3.36Å; S63-E66 PolarHBondContact OG-N 3.11Å; S63-E66 PolarHBondContact OG-OE2 3.41Å; E66-L69 PolarHBondContact O-N 3.13Å; E66-W70 HydrophobicContact CB-CH2 4.17Å; E66-W70 HydrophobicContact CB-CZ2 3.54Å; E66-W70 HydrophobicContact CG-CZ2 4.01Å; E66-W70 VanDerWaalsContact O-CD1 3.25Å; E66-W70 VanDerWaalsContact O-CE2 3.27Å; E66-W70 VanDerWaalsContact O-CG 3.29Å; E66-W70 PolarHBondContact O-N 3.32Å; E66-W70 PolarHBondContact O-NE1 3.17Å; E66-K724 IonicContact OE1-NZ 3.16Å; E66-K724 PolarHBondContact OE1-NZ 3.37Å
67V86.4Confident83.3Confident6 Ų625.7 Ų25.74%0.03617%0.174CC..Hα-helixtrans-65.1-41.1-178.8173.80000111F34 L59 A61 S63 A64 G65 W70 H71F34-V67 HydrophobicContact CD2-CG1 3.94Å; F34-V67 HydrophobicContact CE2-CG1 3.75Å; F34-V67 HydrophobicContact CG-CG1 4.47Å; F34-V67 HydrophobicContact CZ-CG1 4.14Å; L59-V67 HydrophobicContact CD1-CB 4.13Å; L59-V67 HydrophobicContact CD1-CG1 4.27Å; L59-V67 HydrophobicContact CD1-CG2 4.05Å; A61-V67 HydrophobicContact CB-CG2 4Å; S63-V67 PolarHBondContact O-N 3.45Å; A64-V67 PolarHBondContact O-N 2.86Å; G65-V67 PolarHBondContact O-N 2.79Å; V67-W70 HydrophobicContact CB-CZ3 4.49Å; V67-W70 HydrophobicContact CG2-CE3 4.32Å; V67-W70 HydrophobicContact CG2-CH2 4.04Å; V67-W70 HydrophobicContact CG2-CZ3 3.72Å; V67-W70 PolarHBondContact O-N 3.34Å; V67-H71 PolarHBondContact O-N 3.4Å; V67-H71 PolarHBondContact O-ND1 3.05Å
68V92.5Very high83.9Confident0 Ų031.6 Ų31.60%020%0.196CC..Hα-helixtrans-61.5-44172.4170.30000110.8L46 L49 A64 G65 W70 H71 S83 C86 L87 W90L46-V68 HydrophobicContact CD2-CB 4.47Å; L46-V68 HydrophobicContact CD2-CG2 3.87Å; L49-V68 HydrophobicContact CB-CG2 4.45Å; L49-V68 HydrophobicContact CD1-CG2 3.79Å; A64-V68 WeakPolarHBondContact O-CG2 3.18Å; A64-V68 PolarHBondContact O-N 3.02Å; G65-V68 PolarHBondContact O-N 2.82Å; V68-W70 VanDerWaalsContact C-N 3.31Å; V68-W70 PolarHBondContact O-N 3.25Å; V68-H71 PolarHBondContact O-N 3.17Å; V68-H71 VanDerWaalsContact O-N 3.13Å; V68-S83 WeakPolarHBondContact CG1-O 3.4Å; V68-S83 WeakPolarHBondContact O-CB 3.38Å; V68-C86 HydrophobicContact CG1-CB 3.87Å; V68-C86 HydrophobicContact CG2-CB 4.43Å; V68-L87 HydrophobicContact CG1-CD1 4.34Å; V68-L87 HydrophobicContact CG1-CD2 4.13Å; V68-L87 HydrophobicContact CG1-CG 3.82Å; V68-W90 HydrophobicContact CB-CH2 4.23Å; V68-W90 HydrophobicContact CB-CZ3 4.47Å; V68-W90 HydrophobicContact CG2-CH2 3.78Å; V68-W90 HydrophobicContact CG2-CZ2 4.37Å; V68-W90 HydrophobicContact CG2-CZ3 4.48Å
69L91.5Very high85Confident24 Ų2427.4 Ų27.413%0.12617%0.168CC..Hα-helixtrans-64.5-30.5-179.5-175.462.4000113.1G65 E66 T72 S133 V134 A137G65-L69 WeakPolarHBondContact O-CB 3.27Å; G65-L69 PolarHBondContact O-N 3.14Å; E66-L69 PolarHBondContact O-N 3.13Å; L69-T72 HydrophobicContact CD1-CG2 4.42Å; L69-T72 PolarHBondContact O-OG1 2.84Å; L69-S133 VanDerWaalsContact CD2-OG 3.3Å; L69-S133 WeakPolarHBondContact CD2-OG 3.36Å; L69-V134 HydrophobicContact CD1-CG2 4.32Å; L69-A137 HydrophobicContact CD1-CB 3.73Å
70W88.2Confident86.2Confident43 Ų4328.6 Ų28.616%0.16317%0.171CC..Hα-helixtrans-73.4-32.4174-48.4-26.7000112.3A61 E66 V67 V68 T72 A73 K724 H727A61-W70 HydrophobicContact CB-CH2 4.32Å; A61-W70 HydrophobicContact CB-CZ3 3.97Å; E66-W70 HydrophobicContact CB-CH2 4.17Å; E66-W70 HydrophobicContact CB-CZ2 3.54Å; E66-W70 HydrophobicContact CG-CZ2 4.01Å; E66-W70 VanDerWaalsContact O-CD1 3.25Å; E66-W70 VanDerWaalsContact O-CE2 3.27Å; E66-W70 VanDerWaalsContact O-CG 3.29Å; E66-W70 PolarHBondContact O-N 3.32Å; E66-W70 PolarHBondContact O-NE1 3.17Å; V67-W70 HydrophobicContact CB-CZ3 4.49Å; V67-W70 HydrophobicContact CG2-CE3 4.32Å; V67-W70 HydrophobicContact CG2-CH2 4.04Å; V67-W70 HydrophobicContact CG2-CZ3 3.72Å; V67-W70 PolarHBondContact O-N 3.34Å; V68-W70 VanDerWaalsContact C-N 3.31Å; V68-W70 PolarHBondContact O-N 3.25Å; W70-T72 PolarHBondContact O-N 2.85Å; W70-A73 PolarHBondContact O-N 3.12Å; W70-A73 VanDerWaalsContact O-N 3.11Å; W70-K724 HydrophobicContact CD2-CG 4.2Å; W70-K724 HydrophobicContact CE3-CG 4.02Å; W70-K724 HydrophobicContact CH2-CD 3.99Å; W70-K724 HydrophobicContact CH2-CG 3.34Å; W70-K724 HydrophobicContact CZ2-CD 3.67Å; W70-K724 HydrophobicContact CZ2-CG 3.48Å; W70-K724 VanDerWaalsContact CZ2-CG 3.48Å; W70-K724 VanDerWaalsContact CZ2-NZ 3.33Å; W70-K724 HydrophobicContact CZ3-CB 4.48Å; W70-K724 HydrophobicContact CZ3-CG 3.6Å; W70-H727 WeakPolarHBondContact CB-ND1 3.36Å; W70-H727 HydrophobicContact CE3-CB 4.13Å; W70-H727 AromaticContact CE3-CG 3.97Å; W70-H727 PolarHBondContact O-NE2 3.08Å
71H90.9Very high87.8Confident0 Ų026.6 Ų26.60%016%0.156CC..Hα-helixtrans-67.5-13.4178.8-75.899.1000113.4F34 L46 V67 V68 A73 D74 V79 S83 H727F34-H71 AromaticContact CD1-CE1 3.1Å; F34-H71 WeakPolarHBondContact CD1-CE1 3.35Å; F34-H71 AromaticContact CD1-NE2 3.21Å; F34-H71 WeakPolarHBondContact CD1-NE2 3.49Å; F34-H71 AromaticContact CE1-CE1 3.28Å; F34-H71 WeakPolarHBondContact CE1-CE1 3.23Å; F34-H71 AromaticContact CE1-ND1 3.93Å; F34-H71 AromaticContact CE1-NE2 3.64Å; F34-H71 AromaticContact CG-CE1 3.73Å; L46-H71 HydrophobicContact CD1-CB 4.08Å; L46-H71 HydrophobicContact CD2-CB 4.26Å; V67-H71 PolarHBondContact O-N 3.4Å; V67-H71 PolarHBondContact O-ND1 3.05Å; V68-H71 PolarHBondContact O-N 3.17Å; V68-H71 VanDerWaalsContact O-N 3.13Å; H71-A73 PolarHBondContact O-N 2.97Å; H71-A73 VanDerWaalsContact O-N 3.13Å; H71-D74 IonicContact CD2-OD2 3.48Å; H71-D74 WeakPolarHBondContact O-CB 3.39Å; H71-D74 PolarHBondContact O-N 2.71Å; H71-D74 VanDerWaalsContact O-N 3.09Å; H71-V79 HydrophobicContact CB-CG1 4.23Å; H71-S83 PolarHBondContact O-OG 2.76Å; H71-H727 WeakPolarHBondContact CA-NE2 3.35Å; H71-H727 AromaticContact CD2-CD2 3.82Å; H71-H727 AromaticContact CE1-CD2 3.33Å; H71-H727 PolarHBondContact CE1-CD2 3.28Å; H71-H727 AromaticContact CG-CD2 3.96Å; H71-H727 PolarHBondContact N-NE2 3.18Å; H71-H727 AromaticContact ND1-CD2 3.65Å; H71-H727 AromaticContact NE2-CD2 3.46Å; H71-H727 PolarHBondContact NE2-CD2 3.44Å
72T92.7Very high89.6Confident16 Ų1629.5 Ų29.510%0.09817%0.165CC..THydrogen-bonded Turntrans-62.8-16.5170.171.70000112.6L69 W70 R80 S83 F84 L87 A137L69-T72 HydrophobicContact CD1-CG2 4.42Å; L69-T72 PolarHBondContact O-OG1 2.84Å; W70-T72 PolarHBondContact O-N 2.85Å; T72-R80 WeakPolarHBondContact O-CD 3.42Å; T72-R80 WeakPolarHBondContact O-CG 3.35Å; T72-S83 WeakPolarHBondContact CA-OG 3.12Å; T72-S83 WeakPolarHBondContact CG2-OG 3.5Å; T72-S83 PolarHBondContact N-OG 3.42Å; T72-F84 HydrophobicContact CG2-CD1 4.06Å; T72-F84 HydrophobicContact CG2-CE1 3.71Å; T72-F84 HydrophobicContact CG2-CE2 4.42Å; T72-F84 HydrophobicContact CG2-CZ 3.92Å; T72-L87 HydrophobicContact CG2-CD1 4.05Å; T72-A137 HydrophobicContact CG2-CB 4.37Å
73A89.1Confident90.8Very high58 Ų5829.1 Ų29.148%0.47916%0.161SC..THydrogen-bonded Turntrans-115.321.5175.500000113.4W70 H71W70-A73 PolarHBondContact O-N 3.12Å; W70-A73 VanDerWaalsContact O-N 3.11Å; H71-A73 PolarHBondContact O-N 2.97Å; H71-A73 VanDerWaalsContact O-N 3.13Å
74D91.2Very high91.4Very high7 Ų728.2 Ų28.24%0.03715%0.154CC..  trans-60.2151171.8-168.7-62.3000111.3R42 H71 D76 V79 R80R42-D74 IonicContact CZ-OD1 3.12Å; R42-D74 IonicContact CZ-OD2 2.57Å; R42-D74 VanDerWaalsContact CZ-OD2 3.26Å; R42-D74 IonicContact NE-OD2 2.69Å; R42-D74 PolarHBondContact NE-OD2 2.99Å; R42-D74 VanDerWaalsContact NH2-CG 3.28Å; R42-D74 IonicContact NH2-OD1 2.91Å; R42-D74 PolarHBondContact NH2-OD1 2.77Å; R42-D74 IonicContact NH2-OD2 2.73Å; R42-D74 PolarHBondContact NH2-OD2 2.8Å; H71-D74 IonicContact CD2-OD2 3.48Å; H71-D74 WeakPolarHBondContact O-CB 3.39Å; H71-D74 PolarHBondContact O-N 2.71Å; H71-D74 VanDerWaalsContact O-N 3.09Å; D74-D76 VanDerWaalsContact C-N 3.32Å; D74-D76 PolarHBondContact O-N 3.07Å; D74-D76 PolarHBondContact OD1-N 3.11Å; D74-V79 HydrophobicContact CB-CB 3.9Å; D74-V79 HydrophobicContact CB-CG1 3.93Å; D74-V79 WeakPolarHBondContact OD2-CG1 3.38Å; D74-R80 HydrophobicContact CB-CG 4.16Å; D74-R80 WeakPolarHBondContact O-CD 3.42Å; D74-R80 WeakPolarHBondContact O-CG 3.46Å; D74-R80 PolarHBondContact O-NH1 3.25Å
75G85.5Confident92Very high67 Ų6731.2 Ų31.269%0.69117%0.168SC*.SBendtrans-64-32.2176.300000114.1R80G75-R80 VanDerWaalsContact C-NH1 3.31Å; G75-R80 PolarHBondContact O-NH1 3.14Å
76D91Very high92.4Very high34 Ų3431.2 Ų31.218%0.18217%0.168CC..SBendtrans-92.8124.8-178.7-167.2-65000111.8A39 D74 R78 V79 R80A39-D76 HydrophobicContact CB-CB 3.62Å; A39-D76 WeakPolarHBondContact CB-OD2 3.47Å; D74-D76 VanDerWaalsContact C-N 3.32Å; D74-D76 PolarHBondContact O-N 3.07Å; D74-D76 PolarHBondContact OD1-N 3.11Å; D76-R78 PolarHBondContact O-N 3.02Å; D76-R78 VanDerWaalsContact OD1-CB 3.26Å; D76-R78 WeakPolarHBondContact OD1-CB 3.37Å; D76-R78 WeakPolarHBondContact OD1-CG 3.49Å; D76-R78 IonicContact OD1-CZ 2.7Å; D76-R78 PolarHBondContact OD1-N 3.31Å; D76-R78 IonicContact OD1-NE 2.79Å; D76-R78 PolarHBondContact OD1-NE 3.27Å; D76-R78 IonicContact OD1-NH2 3.66Å; D76-R78 IonicContact OD2-CZ 2.96Å; D76-R78 IonicContact OD2-NE 2.85Å; D76-R78 PolarHBondContact OD2-NE 2.95Å; D76-R78 IonicContact OD2-NH2 2.87Å; D76-R78 PolarHBondContact OD2-NH2 3.16Å; D76-V79 HydrophobicContact CB-CG2 4.06Å; D76-V79 PolarHBondContact O-N 2.95Å; D76-R80 PolarHBondContact O-N 3.39Å
77P92.5Very high92.8Very high29 Ų2928.8 Ų28.819%0.18816%0.157CC..Hα-helixtrans-63.8-24.9-175.427.2-36.6000113.6V79 R80 D81 E146 L148 V149P77-V79 VanDerWaalsContact C-N 3.28Å; P77-V79 PolarHBondContact O-N 3.14Å; P77-R80 PolarHBondContact O-N 2.92Å; P77-D81 PolarHBondContact O-N 3.21Å; P77-E146 HydrophobicContact CB-CB 3.83Å; P77-E146 HydrophobicContact CB-CG 3.6Å; P77-E146 HydrophobicContact CG-CG 3.87Å; P77-L148 HydrophobicContact CB-CD1 4.44Å; P77-V149 HydrophobicContact CB-CG2 3.85Å; P77-V149 WeakPolarHBondContact O-CG2 3.39Å
78R93.6Very high93.3Very high134 Ų13429.2 Ų29.251%0.50616%0.159SC..Hα-helixtrans-69.4-31.2176.6-58.9168.4-69.8-173.5-4.9111D76 R82D76-R78 PolarHBondContact O-N 3.02Å; D76-R78 VanDerWaalsContact OD1-CB 3.26Å; D76-R78 WeakPolarHBondContact OD1-CB 3.37Å; D76-R78 WeakPolarHBondContact OD1-CG 3.49Å; D76-R78 IonicContact OD1-CZ 2.7Å; D76-R78 PolarHBondContact OD1-N 3.31Å; D76-R78 IonicContact OD1-NE 2.79Å; D76-R78 PolarHBondContact OD1-NE 3.27Å; D76-R78 IonicContact OD1-NH2 3.66Å; D76-R78 IonicContact OD2-CZ 2.96Å; D76-R78 IonicContact OD2-NE 2.85Å; D76-R78 PolarHBondContact OD2-NE 2.95Å; D76-R78 IonicContact OD2-NH2 2.87Å; D76-R78 PolarHBondContact OD2-NH2 3.16Å; R78-R82 WeakPolarHBondContact O-CB 3.49Å; R78-R82 WeakPolarHBondContact O-CG 3.31Å; R78-R82 PolarHBondContact O-N 3.11Å
79V94.3Very high93.4Very high0 Ų031 Ų310%017%0.17CC..Hα-helixtrans-76.8-37.6176.3-169.80000109.8A39 R42 L46 H71 D74 D76 P77 R82 S83A39-V79 HydrophobicContact CB-CG2 3.73Å; A39-V79 WeakPolarHBondContact O-CG2 3.32Å; R42-V79 HydrophobicContact CB-CG1 3.93Å; R42-V79 HydrophobicContact CB-CG2 4.01Å; L46-V79 HydrophobicContact CD1-CG1 3.56Å; L46-V79 WeakPolarHBondContact CD1-O 3.41Å; H71-V79 HydrophobicContact CB-CG1 4.23Å; D74-V79 HydrophobicContact CB-CB 3.9Å; D74-V79 HydrophobicContact CB-CG1 3.93Å; D74-V79 WeakPolarHBondContact OD2-CG1 3.38Å; D76-V79 HydrophobicContact CB-CG2 4.06Å; D76-V79 PolarHBondContact O-N 2.95Å; P77-V79 VanDerWaalsContact C-N 3.28Å; P77-V79 PolarHBondContact O-N 3.14Å; V79-R82 PolarHBondContact O-N 3.43Å; V79-S83 PolarHBondContact O-N 2.73Å
80R95.5Very high93.5Very high32 Ų3230 Ų3012%0.12116%0.164CC..Hα-helixtrans-60.5-51.6171.6-60.4-163.3-62.8-82.36.7112.3T72 D74 G75 D76 P77 R82 S83 F84 D144 V149T72-R80 WeakPolarHBondContact O-CD 3.42Å; T72-R80 WeakPolarHBondContact O-CG 3.35Å; D74-R80 HydrophobicContact CB-CG 4.16Å; D74-R80 WeakPolarHBondContact O-CD 3.42Å; D74-R80 WeakPolarHBondContact O-CG 3.46Å; D74-R80 PolarHBondContact O-NH1 3.25Å; G75-R80 VanDerWaalsContact C-NH1 3.31Å; G75-R80 PolarHBondContact O-NH1 3.14Å; D76-R80 PolarHBondContact O-N 3.39Å; P77-R80 PolarHBondContact O-N 2.92Å; R80-R82 VanDerWaalsContact C-N 3.32Å; R80-R82 PolarHBondContact O-N 3.29Å; R80-S83 PolarHBondContact O-N 2.81Å; R80-S83 VanDerWaalsContact O-N 3.14Å; R80-S83 PolarHBondContact O-OG 3.44Å; R80-F84 VanDerWaalsContact O-CD2 3.25Å; R80-F84 WeakPolarHBondContact O-CD2 3.35Å; R80-F84 PolarHBondContact O-N 2.88Å; R80-F84 VanDerWaalsContact O-N 3.11Å; R80-D144 IonicContact CZ-OD1 3.5Å; R80-D144 IonicContact CZ-OD2 3.04Å; R80-D144 IonicContact NE-OD2 3.82Å; R80-D144 PolarHBondContact NE-OD2 3.15Å; R80-D144 VanDerWaalsContact NH2-CG 3.29Å; R80-D144 IonicContact NH2-OD1 3.58Å; R80-D144 PolarHBondContact NH2-OD1 3.09Å; R80-D144 IonicContact NH2-OD2 2.68Å; R80-D144 PolarHBondContact NH2-OD2 2.88Å; R80-V149 HydrophobicContact CB-CG1 3.93Å; R80-V149 HydrophobicContact CB-CG2 3.99Å
81D96.6Very high93.7Very high15 Ų1527.9 Ų27.98%0.0816%0.156CC..Hα-helixtrans-50.7-50.8173.4167.367.8000111.7P77 S83 F84 H85 L148 T152P77-D81 PolarHBondContact O-N 3.21Å; D81-S83 VanDerWaalsContact C-N 3.3Å; D81-S83 PolarHBondContact O-N 2.72Å; D81-F84 PolarHBondContact O-N 3.36Å; D81-H85 WeakPolarHBondContact O-CB 3.45Å; D81-H85 PolarHBondContact O-N 2.93Å; D81-L148 HydrophobicContact CB-CD1 3.72Å; D81-T152 WeakPolarHBondContact OD1-CB 3.38Å; D81-T152 PolarHBondContact OD1-OG1 3.02Å
82R95.9Very high93.8Very high72 Ų7230.1 Ų30.127%0.27217%0.171SC..Hα-helixtrans-65.6-31.1-178.1-67.5-69.5112.4173.51113.5L46 D47 R78 V79 R80 H85 C86L46-R82 HydrophobicContact CB-CB 3.94Å; L46-R82 HydrophobicContact CD1-CB 3.84Å; D47-R82 WeakPolarHBondContact OD1-CD 3.45Å; D47-R82 IonicContact OD1-CZ 2.79Å; D47-R82 IonicContact OD1-NE 2.77Å; D47-R82 IonicContact OD1-NH1 3.77Å; D47-R82 PolarHBondContact OD1-NH1 2.82Å; R78-R82 WeakPolarHBondContact O-CB 3.49Å; R78-R82 WeakPolarHBondContact O-CG 3.31Å; R78-R82 PolarHBondContact O-N 3.11Å; V79-R82 PolarHBondContact O-N 3.43Å; R80-R82 VanDerWaalsContact C-N 3.32Å; R80-R82 PolarHBondContact O-N 3.29Å; R82-H85 PolarHBondContact O-N 2.88Å; R82-C86 WeakPolarHBondContact O-CB 3.4Å; R82-C86 PolarHBondContact O-N 3.14Å
83S95.9Very high93.6Very high0 Ų031.1 Ų31.10%018%0.179CC..Hα-helixtrans-69.7-44.1175.4710000111.6V68 H71 T72 V79 R80 D81 H85 C86 L87V68-S83 WeakPolarHBondContact CG1-O 3.4Å; V68-S83 WeakPolarHBondContact O-CB 3.38Å; H71-S83 PolarHBondContact O-OG 2.76Å; T72-S83 WeakPolarHBondContact CA-OG 3.12Å; T72-S83 WeakPolarHBondContact CG2-OG 3.5Å; T72-S83 PolarHBondContact N-OG 3.42Å; V79-S83 PolarHBondContact O-N 2.73Å; R80-S83 PolarHBondContact O-N 2.81Å; R80-S83 VanDerWaalsContact O-N 3.14Å; R80-S83 PolarHBondContact O-OG 3.44Å; D81-S83 VanDerWaalsContact C-N 3.3Å; D81-S83 PolarHBondContact O-N 2.72Å; S83-H85 VanDerWaalsContact C-N 3.35Å; S83-C86 WeakPolarHBondContact O-CB 3.32Å; S83-C86 PolarHBondContact O-N 3.18Å; S83-L87 WeakPolarHBondContact O-CG 3.37Å; S83-L87 PolarHBondContact O-N 3.42Å; S83-L87 VanDerWaalsContact O-N 3.09Å
84F97.6Very high93.6Very high2 Ų228.3 Ų28.31%0.00916%0.156CC..Hα-helixtrans-65.2-37.4171.3-68.8-62.9000111.8T72 R80 D81 C86 L87 L88 A137 A138 V149 T152 V156T72-F84 HydrophobicContact CG2-CD1 4.06Å; T72-F84 HydrophobicContact CG2-CE1 3.71Å; T72-F84 HydrophobicContact CG2-CE2 4.42Å; T72-F84 HydrophobicContact CG2-CZ 3.92Å; R80-F84 VanDerWaalsContact O-CD2 3.25Å; R80-F84 WeakPolarHBondContact O-CD2 3.35Å; R80-F84 PolarHBondContact O-N 2.88Å; R80-F84 VanDerWaalsContact O-N 3.11Å; D81-F84 PolarHBondContact O-N 3.36Å; F84-C86 VanDerWaalsContact C-N 3.32Å; F84-C86 PolarHBondContact O-N 3.38Å; F84-L87 HydrophobicContact CD1-CD1 4.38Å; F84-L87 PolarHBondContact O-N 3.12Å; F84-L88 VanDerWaalsContact O-CB 3.25Å; F84-L88 WeakPolarHBondContact O-CB 3.47Å; F84-L88 PolarHBondContact O-N 3.11Å; F84-A137 HydrophobicContact CE1-CB 4.46Å; F84-A137 VanDerWaalsContact CZ-O 3.31Å; F84-A137 WeakPolarHBondContact CZ-O 3.45Å; F84-A138 HydrophobicContact CE1-CB 4.43Å; F84-V149 HydrophobicContact CD2-CG1 3.87Å; F84-V149 HydrophobicContact CE2-CG1 3.66Å; F84-T152 HydrophobicContact CB-CG2 3.71Å; F84-V156 HydrophobicContact CB-CG2 4.07Å; F84-V156 HydrophobicContact CD1-CG2 4.33Å; F84-V156 WeakPolarHBondContact O-CG2 3.35Å
85H96.6Very high93.4Very high65 Ų6529.4 Ų29.430%0.30116%0.162SC..Hα-helixtrans-63.2-38.1174.5-169.1-70.8000111.8D81 R82 S83 L88 T89 T152D81-H85 WeakPolarHBondContact O-CB 3.45Å; D81-H85 PolarHBondContact O-N 2.93Å; R82-H85 PolarHBondContact O-N 2.88Å; S83-H85 VanDerWaalsContact C-N 3.35Å; H85-L88 PolarHBondContact O-N 3.44Å; H85-T89 PolarHBondContact ND1-OG1 3.22Å; H85-T89 WeakPolarHBondContact O-CB 3.35Å; H85-T89 PolarHBondContact O-N 3.3Å; H85-T89 PolarHBondContact O-OG1 3.39Å; H85-T152 HydrophobicContact CB-CG2 4.1Å
86C95.8Very high93.4Very high0 Ų029.1 Ų29.10%015%0.153CC..Hα-helixtrans-62.5-49.8174.8-171.40000111S50 V68 R82 S83 F84 L88 T89 W90S50-C86 VanDerWaalsContact CA-SG 3.53Å; S50-C86 PolarHBondContact N-SG 2.89Å; V68-C86 HydrophobicContact CG1-CB 3.87Å; V68-C86 HydrophobicContact CG2-CB 4.43Å; R82-C86 WeakPolarHBondContact O-CB 3.4Å; R82-C86 PolarHBondContact O-N 3.14Å; S83-C86 WeakPolarHBondContact O-CB 3.32Å; S83-C86 PolarHBondContact O-N 3.18Å; F84-C86 VanDerWaalsContact C-N 3.32Å; F84-C86 PolarHBondContact O-N 3.38Å; C86-L88 PolarHBondContact O-N 2.97Å; C86-T89 WeakPolarHBondContact O-CB 3.41Å; C86-T89 PolarHBondContact O-N 3.17Å; C86-W90 PolarHBondContact O-N 3.3Å; C86-W90 VanDerWaalsContact O-N 3.13Å; C86-W90 VanDerWaalsContact SG-CE2 3.57Å; C86-W90 WeakPolarHBondContact SG-CZ2 3.38Å
87L96.5Very high92.9Very high0 Ų028.5 Ų28.50%015%0.15CC..Hα-helixtrans-59.1-45.6175-66.7163.1000111.8V68 T72 S83 F84 T89 W90 L91 W126 F127 V134 V156V68-L87 HydrophobicContact CG1-CD1 4.34Å; V68-L87 HydrophobicContact CG1-CD2 4.13Å; V68-L87 HydrophobicContact CG1-CG 3.82Å; T72-L87 HydrophobicContact CG2-CD1 4.05Å; S83-L87 WeakPolarHBondContact O-CG 3.37Å; S83-L87 PolarHBondContact O-N 3.42Å; S83-L87 VanDerWaalsContact O-N 3.09Å; F84-L87 HydrophobicContact CD1-CD1 4.38Å; F84-L87 PolarHBondContact O-N 3.12Å; L87-T89 VanDerWaalsContact C-N 3.33Å; L87-T89 PolarHBondContact O-N 3.22Å; L87-W90 HydrophobicContact CD2-CE3 4.29Å; L87-W90 HydrophobicContact CD2-CZ3 4.3Å; L87-W90 PolarHBondContact O-N 3.35Å; L87-L91 VanDerWaalsContact O-CG 3.31Å; L87-L91 WeakPolarHBondContact O-CG 3.41Å; L87-L91 PolarHBondContact O-N 3.1Å; L87-W126 HydrophobicContact CD2-CH2 4.08Å; L87-W126 HydrophobicContact CD2-CZ3 4.07Å; L87-F127 HydrophobicContact CD2-CE1 4.24Å; L87-F127 HydrophobicContact CD2-CZ 4.46Å; L87-V134 HydrophobicContact CD1-CG1 4.12Å; L87-V134 HydrophobicContact CD2-CG1 4.21Å; L87-V156 HydrophobicContact CB-CG2 4.35Å
88L95.8Very high92.3Very high16 Ų1629.6 Ų29.68%0.08415%0.154CC..Hα-helixtrans-60.1-40.2176.3-179.364000112.3F84 H85 C86 L91 C92 H155 V156 K159F84-L88 VanDerWaalsContact O-CB 3.25Å; F84-L88 WeakPolarHBondContact O-CB 3.47Å; F84-L88 PolarHBondContact O-N 3.11Å; H85-L88 PolarHBondContact O-N 3.44Å; C86-L88 PolarHBondContact O-N 2.97Å; L88-L91 PolarHBondContact O-N 2.87Å; L88-C92 VanDerWaalsContact O-CB 3.3Å; L88-C92 WeakPolarHBondContact O-CB 3.42Å; L88-C92 PolarHBondContact O-N 3.16Å; L88-C92 PolarHBondContact O-SG 2.98Å; L88-C92 VanDerWaalsContact O-SG 3.38Å; L88-H155 HydrophobicContact CD1-CB 4.15Å; L88-H155 HydrophobicContact CD2-CB 4.09Å; L88-V156 HydrophobicContact CB-CG2 3.8Å; L88-K159 HydrophobicContact CD1-CB 4.34Å
89T94.2Very high91.6Very high38 Ų3829 Ų2923%0.23316%0.155CC..Hα-helixtrans-62.9-46.7178.7-59.20000110.4H85 C86 L87 C92 S93H85-T89 PolarHBondContact ND1-OG1 3.22Å; H85-T89 WeakPolarHBondContact O-CB 3.35Å; H85-T89 PolarHBondContact O-N 3.3Å; H85-T89 PolarHBondContact O-OG1 3.39Å; C86-T89 WeakPolarHBondContact O-CB 3.41Å; C86-T89 PolarHBondContact O-N 3.17Å; L87-T89 VanDerWaalsContact C-N 3.33Å; L87-T89 PolarHBondContact O-N 3.22Å; T89-C92 PolarHBondContact O-N 3.21Å; T89-S93 WeakPolarHBondContact O-CB 3.2Å; T89-S93 PolarHBondContact O-N 3.33Å
90W93.8Very high90.5Very high1 Ų131.4 Ų31.40%0.00417%0.172CC..Hα-helixtrans-64.9-40.8176.5-60.3-15000112.4L49 S50 P55 V68 C86 L87 S93 L94 L123 F127L49-W90 HydrophobicContact CB-CZ2 4.44Å; L49-W90 PolarHBondContact O-NE1 3.06Å; S50-W90 PolarHBondContact O-NE1 3.15Å; P55-W90 HydrophobicContact CB-CE3 4.13Å; P55-W90 HydrophobicContact CB-CH2 4.02Å; P55-W90 HydrophobicContact CB-CZ3 3.72Å; V68-W90 HydrophobicContact CB-CH2 4.23Å; V68-W90 HydrophobicContact CB-CZ3 4.47Å; V68-W90 HydrophobicContact CG2-CH2 3.78Å; V68-W90 HydrophobicContact CG2-CZ2 4.37Å; V68-W90 HydrophobicContact CG2-CZ3 4.48Å; C86-W90 PolarHBondContact O-N 3.3Å; C86-W90 VanDerWaalsContact O-N 3.13Å; C86-W90 VanDerWaalsContact SG-CE2 3.57Å; C86-W90 WeakPolarHBondContact SG-CZ2 3.38Å; L87-W90 HydrophobicContact CD2-CE3 4.29Å; L87-W90 HydrophobicContact CD2-CZ3 4.3Å; L87-W90 PolarHBondContact O-N 3.35Å; W90-S93 WeakPolarHBondContact O-CB 3.16Å; W90-S93 PolarHBondContact O-N 3.45Å; W90-L94 WeakPolarHBondContact O-CB 3.34Å; W90-L94 PolarHBondContact O-N 3.47Å; W90-L123 HydrophobicContact CB-CD2 3.94Å; W90-L123 HydrophobicContact CG-CD2 4.35Å; W90-F127 HydrophobicContact CB-CE2 3.9Å; W90-F127 HydrophobicContact CB-CZ 4.04Å; W90-F127 HydrophobicContact CE3-CZ 4.38Å
91L93.6Very high88.7Confident0 Ų032.7 Ų32.70%019%0.186CC..Hα-helixtrans-64.5-41.4174.9-71.5168.4000112.6L87 L88 L94 N95 F127 V156 K159 L160 I163 W164L87-L91 VanDerWaalsContact O-CG 3.31Å; L87-L91 WeakPolarHBondContact O-CG 3.41Å; L87-L91 PolarHBondContact O-N 3.1Å; L88-L91 PolarHBondContact O-N 2.87Å; L91-L94 PolarHBondContact O-N 2.82Å; L91-N95 WeakPolarHBondContact O-CB 3.1Å; L91-N95 PolarHBondContact O-N 2.87Å; L91-F127 HydrophobicContact CD1-CE1 4.3Å; L91-F127 HydrophobicContact CD1-CZ 4.4Å; L91-F127 HydrophobicContact CD2-CD1 3.89Å; L91-F127 HydrophobicContact CD2-CD2 4.04Å; L91-F127 HydrophobicContact CD2-CE1 3.64Å; L91-F127 HydrophobicContact CD2-CE2 3.8Å; L91-F127 HydrophobicContact CD2-CG 4.1Å; L91-F127 HydrophobicContact CD2-CZ 3.61Å; L91-F127 HydrophobicContact CG-CE1 3.84Å; L91-F127 HydrophobicContact CG-CE2 4.07Å; L91-F127 HydrophobicContact CG-CZ 3.56Å; L91-V156 HydrophobicContact CD1-CG1 4.02Å; L91-K159 HydrophobicContact CB-CB 4.45Å; L91-K159 HydrophobicContact CB-CG 4.08Å; L91-K159 HydrophobicContact CD1-CB 4.38Å; L91-L160 HydrophobicContact CD1-CD2 3.78Å; L91-L160 HydrophobicContact CD1-CG 3.86Å; L91-L160 HydrophobicContact CD2-CD2 3.63Å; L91-L160 HydrophobicContact CD2-CG 4.47Å; L91-L160 HydrophobicContact CG-CD2 4.35Å; L91-I163 HydrophobicContact CB-CD1 4.45Å; L91-I163 HydrophobicContact CD2-CD1 4.05Å; L91-W164 HydrophobicContact CD2-CZ3 4Å
92C91.8Very high86.7Confident46 Ų4639 Ų3931%0.31122%0.215SC..Hα-helixtrans-65.7-39.1175.4-78.50000111.9L88 T89 A96L88-C92 VanDerWaalsContact O-CB 3.3Å; L88-C92 WeakPolarHBondContact O-CB 3.42Å; L88-C92 PolarHBondContact O-N 3.16Å; L88-C92 PolarHBondContact O-SG 2.98Å; L88-C92 VanDerWaalsContact O-SG 3.38Å; T89-C92 PolarHBondContact O-N 3.21Å; C92-A96 WeakPolarHBondContact O-CB 3.26Å; C92-A96 PolarHBondContact O-N 3.01Å
93S88.5Confident84.6Confident37 Ų3744.2 Ų44.226%0.25924%0.24SC..Hα-helixtrans-59.3-50.7171.9-170.60000111.3N53 T89 W90 N95 A96 V97N53-S93 WeakPolarHBondContact OD1-CB 3.32Å; N53-S93 PolarHBondContact OD1-OG 2.82Å; T89-S93 WeakPolarHBondContact O-CB 3.2Å; T89-S93 PolarHBondContact O-N 3.33Å; W90-S93 WeakPolarHBondContact O-CB 3.16Å; W90-S93 PolarHBondContact O-N 3.45Å; S93-N95 PolarHBondContact O-N 2.9Å; S93-A96 PolarHBondContact O-N 3.18Å; S93-V97 PolarHBondContact O-N 3.39Å; S93-V97 VanDerWaalsContact O-N 3.07Å
94L88.8Confident82.1Confident0 Ų047.6 Ų47.60%026%0.264CS..Hα-helixtrans-59-48.8176.9174.857.6000112.7W90 L91 A96 V97 L98 R120 L123 T124 F127 W164W90-L94 WeakPolarHBondContact O-CB 3.34Å; W90-L94 PolarHBondContact O-N 3.47Å; L91-L94 PolarHBondContact O-N 2.82Å; L94-A96 VanDerWaalsContact C-N 3.31Å; L94-A96 PolarHBondContact O-N 3.41Å; L94-V97 PolarHBondContact O-N 3.05Å; L94-V97 VanDerWaalsContact O-N 3.16Å; L94-L98 HydrophobicContact CD1-CD1 4.3Å; L94-L98 HydrophobicContact CD1-CG 4.47Å; L94-L98 HydrophobicContact CG-CD1 4.09Å; L94-L98 PolarHBondContact O-N 3.27Å; L94-R120 HydrophobicContact CD1-CG 4.48Å; L94-L123 HydrophobicContact CB-CB 4.39Å; L94-L123 HydrophobicContact CB-CD1 4.21Å; L94-L123 HydrophobicContact CD1-CB 4.35Å; L94-L123 HydrophobicContact CD2-CB 4.46Å; L94-T124 HydrophobicContact CD1-CG2 3.54Å; L94-T124 HydrophobicContact CD2-CG2 4.19Å; L94-T124 HydrophobicContact CG-CG2 4.49Å; L94-F127 HydrophobicContact CD2-CD2 4.33Å; L94-W164 HydrophobicContact CD2-CH2 3.52Å; L94-W164 HydrophobicContact CD2-CZ2 4.04Å; L94-W164 HydrophobicContact CD2-CZ3 4.46Å
95N87Confident79.5Confident29 Ų2958.4 Ų58.416%0.15531%0.305CS..Hα-helixtrans-62.5-34.8177162.777.5000112.7L91 S93 K99 I163L91-N95 WeakPolarHBondContact O-CB 3.1Å; L91-N95 PolarHBondContact O-N 2.87Å; S93-N95 PolarHBondContact O-N 2.9Å; N95-K99 PolarHBondContact O-N 3.3Å; N95-K99 VanDerWaalsContact O-N 3.11Å; N95-K99 WeakPolarHBondContact OD1-CE 3.36Å; N95-I163 HydrophobicContact CB-CD1 4.09Å; N95-I163 HydrophobicContact CB-CG1 4.36Å
96A85.4Confident76.7Confident61 Ų6162.1 Ų62.150%0.50434%0.335SS..Hα-helixtrans-66.4-3817400000112C92 S93 L94 S100C92-A96 WeakPolarHBondContact O-CB 3.26Å; C92-A96 PolarHBondContact O-N 3.01Å; S93-A96 PolarHBondContact O-N 3.18Å; L94-A96 VanDerWaalsContact C-N 3.31Å; L94-A96 PolarHBondContact O-N 3.41Å; A96-S100 WeakPolarHBondContact O-CB 3.36Å; A96-S100 PolarHBondContact O-N 3.42Å
97V81.3Confident74.1Confident21 Ų2165 Ų6513%0.12736%0.364CS..Hα-helixtrans-69.4-45.3174.4-176.60000111.1S93 L94 K99 S100 S101 K116 R120S93-V97 PolarHBondContact O-N 3.39Å; S93-V97 VanDerWaalsContact O-N 3.07Å; L94-V97 PolarHBondContact O-N 3.05Å; L94-V97 VanDerWaalsContact O-N 3.16Å; V97-K99 PolarHBondContact O-N 3.38Å; V97-S100 WeakPolarHBondContact O-CB 3.18Å; V97-S100 PolarHBondContact O-N 2.96Å; V97-S100 PolarHBondContact O-OG 2.97Å; V97-S101 PolarHBondContact O-N 3.45Å; V97-S101 PolarHBondContact O-OG 3.09Å; V97-K116 HydrophobicContact CG1-CB 4.46Å; V97-R120 HydrophobicContact CG1-CB 4.05Å; V97-R120 HydrophobicContact CG1-CG 4.41Å
98L81Confident71.1Confident53 Ų5375.3 Ų75.328%0.27741%0.409SS..Hα-helixtrans-48.9-55.5175-85160.2000112.3L94 S100 S101 I163L94-L98 HydrophobicContact CD1-CD1 4.3Å; L94-L98 HydrophobicContact CD1-CG 4.47Å; L94-L98 HydrophobicContact CG-CD1 4.09Å; L94-L98 PolarHBondContact O-N 3.27Å; L98-S100 VanDerWaalsContact C-N 3.26Å; L98-S100 PolarHBondContact O-N 3.16Å; L98-S101 PolarHBondContact O-N 3.01Å; L98-S101 PolarHBondContact O-OG 2.81Å; L98-I163 HydrophobicContact CD1-CG2 3.81Å
99K78.6Confident68.4Low121 Ų12176.9 Ų76.953%0.52642%0.424SS..Hα-helixtrans-66.3-27179.4-66.1-171.6179-169.70112.8N95 V97N95-K99 PolarHBondContact O-N 3.3Å; N95-K99 VanDerWaalsContact O-N 3.11Å; N95-K99 WeakPolarHBondContact OD1-CE 3.36Å; V97-K99 PolarHBondContact O-N 3.38Å
100S70.4Confident66.2Low50 Ų5083.9 Ų83.935%0.3545%0.451SS..Hα-helixtrans-71.1-29176.877.70000113.7A96 V97 L98A96-S100 WeakPolarHBondContact O-CB 3.36Å; A96-S100 PolarHBondContact O-N 3.42Å; V97-S100 WeakPolarHBondContact O-CB 3.18Å; V97-S100 PolarHBondContact O-N 2.96Å; V97-S100 PolarHBondContact O-OG 2.97Å; L98-S100 VanDerWaalsContact C-N 3.26Å; L98-S100 PolarHBondContact O-N 3.16Å
101S57.3Low63.7Low59 Ų5993.7 Ų93.741%0.41349%0.49SS..Hα-helixtrans-71.2-31.1174.923.40000113.7V97 L98 F103 S104V97-S101 PolarHBondContact O-N 3.45Å; V97-S101 PolarHBondContact O-OG 3.09Å; L98-S101 PolarHBondContact O-N 3.01Å; L98-S101 PolarHBondContact O-OG 2.81Å; S101-F103 VanDerWaalsContact C-N 3.31Å; S101-F103 PolarHBondContact O-N 3.22Å; S101-S104 PolarHBondContact O-OG 3.37Å
102E56Low61.3Low149 Ų149102 Ų10270%0.69653%0.526SS*.Hα-helixtrans-68-29.8179.8-62.9179.6135.100112.8
103F51.2Low59.6Low180 Ų180103.7 Ų103.779%0.78953%0.532SS*.SBendtrans-99.3-5.1-175.8-76.5-91.9000114.5S101 R105S101-F103 VanDerWaalsContact C-N 3.31Å; S101-F103 PolarHBondContact O-N 3.22Å; F103-R105 PolarHBondContact O-N 2.99Å; F103-R105 VanDerWaalsContact O-N 3.15Å
104S42.7Very low58Low72 Ų72106.8 Ų106.850%0.50355%0.545SS..  trans-79.299.8-177.462.10000112.5S101S101-S104 PolarHBondContact O-OG 3.37Å
105R43.2Very low56.7Low229 Ų229114.1 Ų114.186%0.86458%0.58SS**  trans-54.2140.9166-76.6-177.4171.9-179.9-2.6110.3F103 G107F103-R105 PolarHBondContact O-N 2.99Å; F103-R105 VanDerWaalsContact O-N 3.15Å; R105-G107 PolarHBondContact O-N 3.05Å
106P37.3Very low55.7Low143 Ų143118 Ų11893%0.92960%0.595SS**SBendtrans-73.882.7-173.929.6-35.9000112.6
107G41.5Very low55Low60 Ų60118.7 Ų118.762%0.61959%0.588SS**SBendtrans179.7129.1172.600000114.6R105R105-G107 PolarHBondContact O-N 3.05Å
108K34.2Very low54.7Low217 Ų217121.3 Ų121.394%0.94361%0.607SS**SBendtrans71.861.8167.5-51.6178-180178.90118.5
109A38.6Very low54.4Low48 Ų48120.8 Ų120.840%0.39761%0.606SS.*  trans-155.631.9161.300000116.3Y111 F112 N113A109-Y111 VanDerWaalsContact C-N 3.28Å; A109-Y111 PolarHBondContact O-N 3.34Å; A109-F112 PolarHBondContact O-N 3.1Å; A109-N113 WeakPolarHBondContact CB-OD1 3.24Å; A109-N113 PolarHBondContact O-N 3.47Å
110K47.2Very low54.5Low186 Ų186117.8 Ų117.881%0.80959%0.591SS**THydrogen-bonded Turntrans-59-20.7-167.1-91.8-168.8174-174.70117.7N114K110-N114 PolarHBondContact O-ND2 2.75Å; K110-N114 PolarHBondContact O-OD1 2.88Å
111Y41.8Very low55.1Low207 Ų207121.7 Ų121.781%0.81260%0.602SS**THydrogen-bonded Turntrans-97.7-43178.7-82.5-83.6000113.7A109 N113 N114A109-Y111 VanDerWaalsContact C-N 3.28Å; A109-Y111 PolarHBondContact O-N 3.34Å; Y111-N113 VanDerWaalsContact C-N 3.33Å; Y111-N113 PolarHBondContact O-N 2.95Å; Y111-N114 PolarHBondContact O-N 3.15Å
112F43.8Very low56.5Low174 Ų174120.8 Ų120.876%0.76359%0.591SS**Hα-helixtrans-70-27.4179.7-100.8-79.5000113.5A109A109-F112 PolarHBondContact O-N 3.1Å
113N54.8Low58Low81 Ų81113.8 Ų113.843%0.43356%0.558SS.*Hα-helixtrans-68.2-33.2177.5-75.616.6000112.5A109 Y111 H115 K116 E117A109-N113 WeakPolarHBondContact CB-OD1 3.24Å; A109-N113 PolarHBondContact O-N 3.47Å; Y111-N113 VanDerWaalsContact C-N 3.33Å; Y111-N113 PolarHBondContact O-N 2.95Å; N113-H115 PolarHBondContact O-N 2.96Å; N113-K116 PolarHBondContact O-N 2.87Å; N113-E117 WeakPolarHBondContact O-CB 3.3Å; N113-E117 PolarHBondContact O-N 2.62Å
114N56.5Low59.8Low102 Ų102106.4 Ų106.455%0.54553%0.528SS..Hα-helixtrans-62-40.9-173-67.6-4.3000112.9K110 Y111 E117 S118K110-N114 PolarHBondContact O-ND2 2.75Å; K110-N114 PolarHBondContact O-OD1 2.88Å; Y111-N114 PolarHBondContact O-N 3.15Å; N114-E117 PolarHBondContact O-N 3.27Å; N114-S118 WeakPolarHBondContact O-CB 3.4Å; N114-S118 PolarHBondContact O-N 3.25Å
115H60.2Low61.9Low155 Ų155104.4 Ų104.472%0.71852%0.519SS*.Hα-helixtrans-67.7-41.9176.5-106.3-69.1000112.3N113 E117 S118 V119N113-H115 PolarHBondContact O-N 2.96Å; H115-E117 VanDerWaalsContact C-N 3.34Å; H115-S118 PolarHBondContact O-N 2.7Å; H115-V119 WeakPolarHBondContact O-CG2 3.45Å; H115-V119 PolarHBondContact O-N 3.37Å
116K67.3Low64.2Low109 Ų10994 Ų9447%0.47448%0.48SS..Hα-helixtrans-63.1-41.1175.4-70.9-171.5174-172.10111.8V97 N113 S118 V119 R120V97-K116 HydrophobicContact CG1-CB 4.46Å; N113-K116 PolarHBondContact O-N 2.87Å; K116-S118 VanDerWaalsContact C-N 3.35Å; K116-V119 PolarHBondContact O-N 2.91Å; K116-R120 WeakPolarHBondContact O-CB 3.24Å; K116-R120 PolarHBondContact O-N 3.46Å
117E69.5Low66.8Low77 Ų7787.2 Ų87.236%0.3644%0.436SS..Hα-helixtrans-68.6-33.3178.7-166.959.8-153.700112.2N113 N114 H115 R120 K121N113-E117 WeakPolarHBondContact O-CB 3.3Å; N113-E117 PolarHBondContact O-N 2.62Å; N114-E117 PolarHBondContact O-N 3.27Å; H115-E117 VanDerWaalsContact C-N 3.34Å; E117-R120 IonicContact OE1-NE 3.38Å; E117-R120 WeakPolarHBondContact OE2-CD 3.42Å; E117-K121 HydrophobicContact CG-CD 4.49Å; E117-K121 WeakPolarHBondContact O-CB 3.49Å; E117-K121 VanDerWaalsContact O-CG 3.31Å; E117-K121 WeakPolarHBondContact O-CG 3.18Å; E117-K121 PolarHBondContact O-N 3.01Å; E117-K121 VanDerWaalsContact O-N 3.08Å; E117-K121 WeakPolarHBondContact OE1-CE 3.36Å; E117-K121 IonicContact OE1-NZ 3.69Å
118S74.4Confident69.1Low76 Ų7689.1 Ų89.153%0.53143%0.429SS..Hα-helixtrans-67.5-49.7173-164.40000111.9N114 H115 K116 R120 K121 E122N114-S118 WeakPolarHBondContact O-CB 3.4Å; N114-S118 PolarHBondContact O-N 3.25Å; H115-S118 PolarHBondContact O-N 2.7Å; K116-S118 VanDerWaalsContact C-N 3.35Å; S118-R120 VanDerWaalsContact C-N 3.33Å; S118-R120 PolarHBondContact O-N 3.29Å; S118-K121 PolarHBondContact O-N 3Å; S118-E122 PolarHBondContact O-N 2.73Å
119V76.5Confident71.7Confident41 Ų4182.7 Ų82.725%0.24842%0.416CS..Hα-helixtrans-63.8-40177.7173.30000110.9H115 K116 K121 E122 L123H115-V119 WeakPolarHBondContact O-CG2 3.45Å; H115-V119 PolarHBondContact O-N 3.37Å; K116-V119 PolarHBondContact O-N 2.91Å; V119-K121 PolarHBondContact O-N 3.32Å; V119-E122 PolarHBondContact O-N 3.14Å; V119-L123 HydrophobicContact CG1-CD1 3.77Å; V119-L123 HydrophobicContact CG1-CG 4.3Å; V119-L123 WeakPolarHBondContact O-CB 3.39Å; V119-L123 VanDerWaalsContact O-CG 3.31Å; V119-L123 WeakPolarHBondContact O-CG 3.47Å; V119-L123 PolarHBondContact O-N 3.04Å
120R80.3Confident74.2Confident58 Ų5882.3 Ų82.322%0.21941%0.407CS..Hα-helixtrans-52.3-52.7171.1172.3-178.5169.666.64.3111.5L94 V97 K116 E117 S118 L123 T124L94-R120 HydrophobicContact CD1-CG 4.48Å; V97-R120 HydrophobicContact CG1-CB 4.05Å; V97-R120 HydrophobicContact CG1-CG 4.41Å; K116-R120 WeakPolarHBondContact O-CB 3.24Å; K116-R120 PolarHBondContact O-N 3.46Å; E117-R120 IonicContact OE1-NE 3.38Å; E117-R120 WeakPolarHBondContact OE2-CD 3.42Å; S118-R120 VanDerWaalsContact C-N 3.33Å; S118-R120 PolarHBondContact O-N 3.29Å; R120-L123 PolarHBondContact O-N 3.35Å; R120-T124 HydrophobicContact CG-CG2 4.47Å; R120-T124 WeakPolarHBondContact O-CG2 3.31Å; R120-T124 PolarHBondContact O-N 3.05Å; R120-T124 PolarHBondContact O-OG1 2.99Å
121K83.6Confident76.3Confident132 Ų13273.8 Ų73.857%0.57437%0.37SS*.Hα-helixtrans-68.6-35.9-176.5-75173.3179.1175.80113.4E117 S118 V119 T124 G125E117-K121 HydrophobicContact CG-CD 4.49Å; E117-K121 WeakPolarHBondContact O-CB 3.49Å; E117-K121 VanDerWaalsContact O-CG 3.31Å; E117-K121 WeakPolarHBondContact O-CG 3.18Å; E117-K121 PolarHBondContact O-N 3.01Å; E117-K121 VanDerWaalsContact O-N 3.08Å; E117-K121 WeakPolarHBondContact OE1-CE 3.36Å; E117-K121 IonicContact OE1-NZ 3.69Å; S118-K121 PolarHBondContact O-N 3Å; V119-K121 PolarHBondContact O-N 3.32Å; K121-T124 PolarHBondContact O-OG1 3.29Å; K121-G125 PolarHBondContact O-N 3.38Å; K121-G125 VanDerWaalsContact O-N 3.08Å
122E85.3Confident78.6Confident41 Ų4167 Ų6719%0.19235%0.346CS..Hα-helixtrans-63.6-45.8172.8-166.7-167.1158.300110.9S54 P55 Q56 S118 V119 W126S54-E122 WeakPolarHBondContact CA-OE1 3.36Å; S54-E122 WeakPolarHBondContact CB-OE1 3.27Å; S54-E122 WeakPolarHBondContact CB-OE2 3.49Å; S54-E122 PolarHBondContact OG-OE2 3.49Å; P55-E122 WeakPolarHBondContact CD-OE1 3.36Å; P55-E122 VanDerWaalsContact N-OE1 3.16Å; Q56-E122 HydrophobicContact CB-CG 4.13Å; Q56-E122 WeakPolarHBondContact CB-OE1 3.46Å; Q56-E122 HydrophobicContact CG-CG 3.82Å; Q56-E122 PolarHBondContact N-OE1 3.24Å; Q56-E122 PolarHBondContact NE2-O 3.05Å; S118-E122 PolarHBondContact O-N 2.73Å; V119-E122 PolarHBondContact O-N 3.14Å; E122-W126 WeakPolarHBondContact O-CB 3.27Å; E122-W126 PolarHBondContact O-N 3.2Å
123L88.9Confident80.8Confident1 Ų161 Ų611%0.00533%0.326CS..Hα-helixtrans-68-48.7-179.9-72.5175000112.7N53 P55 W90 L94 V119 R120 W126 F127N53-L123 WeakPolarHBondContact O-CD2 3.43Å; P55-L123 HydrophobicContact CG-CD2 4.05Å; W90-L123 HydrophobicContact CB-CD2 3.94Å; W90-L123 HydrophobicContact CG-CD2 4.35Å; L94-L123 HydrophobicContact CB-CB 4.39Å; L94-L123 HydrophobicContact CB-CD1 4.21Å; L94-L123 HydrophobicContact CD1-CB 4.35Å; L94-L123 HydrophobicContact CD2-CB 4.46Å; V119-L123 HydrophobicContact CG1-CD1 3.77Å; V119-L123 HydrophobicContact CG1-CG 4.3Å; V119-L123 WeakPolarHBondContact O-CB 3.39Å; V119-L123 VanDerWaalsContact O-CG 3.31Å; V119-L123 WeakPolarHBondContact O-CG 3.47Å; V119-L123 PolarHBondContact O-N 3.04Å; R120-L123 PolarHBondContact O-N 3.35Å; L123-W126 PolarHBondContact O-N 3.05Å; L123-F127 HydrophobicContact CD2-CE2 4.26Å; L123-F127 WeakPolarHBondContact O-CB 3.43Å; L123-F127 VanDerWaalsContact O-CD2 3.31Å; L123-F127 WeakPolarHBondContact O-CD2 3.42Å; L123-F127 PolarHBondContact O-N 2.7Å
124T87.2Confident82.7Confident25 Ų2557.2 Ų57.215%0.15331%0.305CS..Hα-helixtrans-60.5-51.117756.40000110.4L94 R120 K121 W126 F127 E128L94-T124 HydrophobicContact CD1-CG2 3.54Å; L94-T124 HydrophobicContact CD2-CG2 4.19Å; L94-T124 HydrophobicContact CG-CG2 4.49Å; R120-T124 HydrophobicContact CG-CG2 4.47Å; R120-T124 WeakPolarHBondContact O-CG2 3.31Å; R120-T124 PolarHBondContact O-N 3.05Å; R120-T124 PolarHBondContact O-OG1 2.99Å; K121-T124 PolarHBondContact O-OG1 3.29Å; T124-W126 VanDerWaalsContact C-N 3.3Å; T124-W126 PolarHBondContact O-N 2.61Å; T124-F127 PolarHBondContact O-N 3.43Å; T124-E128 VanDerWaalsContact O-CB 3.27Å; T124-E128 WeakPolarHBondContact O-CB 3.44Å; T124-E128 VanDerWaalsContact O-CG 3.29Å; T124-E128 WeakPolarHBondContact O-CG 3.43Å; T124-E128 PolarHBondContact O-N 3.43Å
125G87.2Confident84.5Confident31 Ų3152.3 Ų52.332%0.3228%0.279SS..Hα-helixtrans-62.7-33.6-177.700000113.6K121 A129K121-G125 PolarHBondContact O-N 3.38Å; K121-G125 VanDerWaalsContact O-N 3.08Å; G125-A129 VanDerWaalsContact O-CB 3.24Å; G125-A129 WeakPolarHBondContact O-CB 3.49Å; G125-A129 PolarHBondContact O-N 3.41Å
126W92.1Very high86Confident10 Ų1046.6 Ų46.64%0.03826%0.257CS..Hα-helixtrans-74.1-46.2173.9-173.383.2000112.5P55 Q56 G65 L87 E122 L123 T124 A129 N130 V134P55-W126 HydrophobicContact CB-CB 4.23Å; P55-W126 HydrophobicContact CB-CD2 3.63Å; P55-W126 HydrophobicContact CB-CE3 3.99Å; P55-W126 HydrophobicContact CB-CG 3.68Å; P55-W126 HydrophobicContact CG-CB 3.59Å; P55-W126 HydrophobicContact CG-CD2 3.93Å; P55-W126 HydrophobicContact CG-CE3 4.2Å; P55-W126 HydrophobicContact CG-CG 3.61Å; Q56-W126 HydrophobicContact CG-CB 4.22Å; Q56-W126 HydrophobicContact CG-CG 4.46Å; G65-W126 VanDerWaalsContact CA-CZ2 3.42Å; L87-W126 HydrophobicContact CD2-CH2 4.08Å; L87-W126 HydrophobicContact CD2-CZ3 4.07Å; E122-W126 WeakPolarHBondContact O-CB 3.27Å; E122-W126 PolarHBondContact O-N 3.2Å; L123-W126 PolarHBondContact O-N 3.05Å; T124-W126 VanDerWaalsContact C-N 3.3Å; T124-W126 PolarHBondContact O-N 2.61Å; W126-A129 PolarHBondContact O-N 3.44Å; W126-N130 HydrophobicContact CH2-CB 4.38Å; W126-N130 HydrophobicContact CZ2-CB 4.23Å; W126-N130 PolarHBondContact NE1-ND2 3.15Å; W126-N130 WeakPolarHBondContact O-CB 3.49Å; W126-N130 PolarHBondContact O-N 3.05Å; W126-N130 PolarHBondContact O-ND2 2.91Å; W126-V134 HydrophobicContact CH2-CG2 3.96Å; W126-V134 HydrophobicContact CZ3-CG2 4.1Å
127F92.4Very high87.2Confident0 Ų042 Ų420%024%0.239CC..Hα-helixtrans-66.3-42.8179.6-85.2-68.9000112L87 W90 L91 L94 L123 T124 A129 N130 L131 V134 L160 W164L87-F127 HydrophobicContact CD2-CE1 4.24Å; L87-F127 HydrophobicContact CD2-CZ 4.46Å; W90-F127 HydrophobicContact CB-CE2 3.9Å; W90-F127 HydrophobicContact CB-CZ 4.04Å; W90-F127 HydrophobicContact CE3-CZ 4.38Å; L91-F127 HydrophobicContact CD1-CE1 4.3Å; L91-F127 HydrophobicContact CD1-CZ 4.4Å; L91-F127 HydrophobicContact CD2-CD1 3.89Å; L91-F127 HydrophobicContact CD2-CD2 4.04Å; L91-F127 HydrophobicContact CD2-CE1 3.64Å; L91-F127 HydrophobicContact CD2-CE2 3.8Å; L91-F127 HydrophobicContact CD2-CG 4.1Å; L91-F127 HydrophobicContact CD2-CZ 3.61Å; L91-F127 HydrophobicContact CG-CE1 3.84Å; L91-F127 HydrophobicContact CG-CE2 4.07Å; L91-F127 HydrophobicContact CG-CZ 3.56Å; L94-F127 HydrophobicContact CD2-CD2 4.33Å; L123-F127 HydrophobicContact CD2-CE2 4.26Å; L123-F127 WeakPolarHBondContact O-CB 3.43Å; L123-F127 VanDerWaalsContact O-CD2 3.31Å; L123-F127 WeakPolarHBondContact O-CD2 3.42Å; L123-F127 PolarHBondContact O-N 2.7Å; T124-F127 PolarHBondContact O-N 3.43Å; F127-A129 VanDerWaalsContact C-N 3.33Å; F127-A129 PolarHBondContact O-N 2.91Å; F127-N130 CarbonylContact O-C 3.59Å; F127-N130 PolarHBondContact O-N 3.32Å; F127-L131 WeakPolarHBondContact O-CA 3.29Å; F127-L131 WeakPolarHBondContact O-CB 3.36Å; F127-L131 PolarHBondContact O-N 3.15Å; F127-V134 HydrophobicContact CD1-CG2 4.38Å; F127-V134 HydrophobicContact CE1-CG1 4.34Å; F127-V134 HydrophobicContact CE1-CG2 4.43Å; F127-L160 HydrophobicContact CD1-CD2 4.32Å; F127-W164 HydrophobicContact CB-CH2 3.39Å; F127-W164 HydrophobicContact CB-CZ2 4.03Å; F127-W164 HydrophobicContact CB-CZ3 4.03Å; F127-W164 HydrophobicContact CD2-CH2 4.43Å; F127-W164 HydrophobicContact CG-CH2 4.02Å; F127-W164 HydrophobicContact CG-CZ3 4.44Å
128E89.3Confident88.4Confident101 Ų10138.3 Ų38.347%0.47222%0.221SC..Hα-helixtrans-62.3-39.6178.1-72.3163.3171.300111.5T124 N130 W164T124-E128 VanDerWaalsContact O-CB 3.27Å; T124-E128 WeakPolarHBondContact O-CB 3.44Å; T124-E128 VanDerWaalsContact O-CG 3.29Å; T124-E128 WeakPolarHBondContact O-CG 3.43Å; T124-E128 PolarHBondContact O-N 3.43Å; E128-N130 PolarHBondContact O-N 2.69Å; E128-W164 HydrophobicContact CG-CZ2 3.82Å; E128-W164 PolarHBondContact OE1-NE1 3.16Å
129A89.4Confident89.3Confident81 Ų8134.7 Ų34.767%0.66920%0.197SC*.THydrogen-bonded Turntrans-72.9-8.7175.200000114.8G125 W126 F127G125-A129 VanDerWaalsContact O-CB 3.24Å; G125-A129 WeakPolarHBondContact O-CB 3.49Å; G125-A129 PolarHBondContact O-N 3.41Å; W126-A129 PolarHBondContact O-N 3.44Å; F127-A129 VanDerWaalsContact C-N 3.33Å; F127-A129 PolarHBondContact O-N 2.91Å
130N90.7Very high89.9Confident41 Ų4137.4 Ų37.422%0.21921%0.206CC..THydrogen-bonded Turntrans-1318.1-177-67-93000113.1W126 F127 E128 E132 S133 V134W126-N130 HydrophobicContact CH2-CB 4.38Å; W126-N130 HydrophobicContact CZ2-CB 4.23Å; W126-N130 PolarHBondContact NE1-ND2 3.15Å; W126-N130 WeakPolarHBondContact O-CB 3.49Å; W126-N130 PolarHBondContact O-N 3.05Å; W126-N130 PolarHBondContact O-ND2 2.91Å; F127-N130 CarbonylContact O-C 3.59Å; F127-N130 PolarHBondContact O-N 3.32Å; E128-N130 PolarHBondContact O-N 2.69Å; N130-E132 PolarHBondContact O-N 2.94Å; N130-S133 WeakPolarHBondContact O-CA 3.45Å; N130-S133 WeakPolarHBondContact O-CB 3.44Å; N130-S133 PolarHBondContact O-N 2.98Å; N130-S133 PolarHBondContact O-OG 3.3Å; N130-V134 HydrophobicContact CB-CG2 4.29Å; N130-V134 PolarHBondContact O-N 2.97Å
131L91.6Very high90.5Very high6 Ų634.9 Ų34.93%0.03120%0.198CC..Hα-helixtrans-56.1-53.9-160.7-179.550.7000112.6F127 S133 V134 Y135 L160 W164 H167 L196F127-L131 WeakPolarHBondContact O-CA 3.29Å; F127-L131 WeakPolarHBondContact O-CB 3.36Å; F127-L131 PolarHBondContact O-N 3.15Å; L131-S133 PolarHBondContact O-N 2.96Å; L131-V134 PolarHBondContact O-N 3.02Å; L131-Y135 VanDerWaalsContact O-CB 3.3Å; L131-Y135 WeakPolarHBondContact O-CB 3.4Å; L131-Y135 PolarHBondContact O-N 3.37Å; L131-L160 HydrophobicContact CD1-CD2 3.83Å; L131-W164 HydrophobicContact CD1-CD2 4.49Å; L131-W164 HydrophobicContact CD1-CE3 3.97Å; L131-W164 HydrophobicContact CD1-CZ3 4.45Å; L131-W164 HydrophobicContact CD2-CB 3.91Å; L131-W164 HydrophobicContact CD2-CD2 4.18Å; L131-W164 HydrophobicContact CD2-CE3 4.46Å; L131-W164 HydrophobicContact CD2-CG 3.96Å; L131-H167 HydrophobicContact CD2-CB 4.14Å; L131-H167 VanDerWaalsContact CD2-CD2 3.43Å; L131-H167 WeakPolarHBondContact CD2-CD2 3.49Å; L131-L196 HydrophobicContact CD1-CD1 4.14Å; L131-L196 HydrophobicContact CD2-CD1 4.28Å; L131-L196 HydrophobicContact CG-CD1 4.02Å
132E89.2Confident91Very high66 Ų6628.8 Ų28.831%0.30817%0.172SC..Hα-helixtrans-59.7-33.6177.2-59.2-178.9126.500112.8N130 S136 L169 T170N130-E132 PolarHBondContact O-N 2.94Å; E132-S136 WeakPolarHBondContact O-CB 3.42Å; E132-S136 PolarHBondContact O-N 3.29Å; E132-L169 HydrophobicContact CG-CD2 4.43Å; E132-T170 VanDerWaalsContact OE1-CB 3.32Å; E132-T170 WeakPolarHBondContact OE1-CB 3.34Å; E132-T170 PolarHBondContact OE1-N 3.41Å; E132-T170 PolarHBondContact OE1-OG1 3.44Å; E132-T170 PolarHBondContact OE2-OG1 3.42Å
133S90.9Very high91.2Very high47 Ų4730 Ų3033%0.32918%0.179SC..Hα-helixtrans-74-37.9-179.777.30000112.4L69 N130 L131 A137L69-S133 VanDerWaalsContact CD2-OG 3.3Å; L69-S133 WeakPolarHBondContact CD2-OG 3.36Å; N130-S133 WeakPolarHBondContact O-CA 3.45Å; N130-S133 WeakPolarHBondContact O-CB 3.44Å; N130-S133 PolarHBondContact O-N 2.98Å; N130-S133 PolarHBondContact O-OG 3.3Å; L131-S133 PolarHBondContact O-N 2.96Å; S133-A137 WeakPolarHBondContact O-CB 3.48Å; S133-A137 PolarHBondContact O-N 3.32Å
134V94.4Very high91.4Very high1 Ų131 Ų311%0.00619%0.185CC..Hα-helixtrans-70-40.3172.8-173.90000110L69 L87 W126 F127 N130 L131 A137 A138 V156 L160L69-V134 HydrophobicContact CD1-CG2 4.32Å; L87-V134 HydrophobicContact CD1-CG1 4.12Å; L87-V134 HydrophobicContact CD2-CG1 4.21Å; W126-V134 HydrophobicContact CH2-CG2 3.96Å; W126-V134 HydrophobicContact CZ3-CG2 4.1Å; F127-V134 HydrophobicContact CD1-CG2 4.38Å; F127-V134 HydrophobicContact CE1-CG1 4.34Å; F127-V134 HydrophobicContact CE1-CG2 4.43Å; N130-V134 HydrophobicContact CB-CG2 4.29Å; N130-V134 PolarHBondContact O-N 2.97Å; L131-V134 PolarHBondContact O-N 3.02Å; V134-A137 PolarHBondContact O-N 2.94Å; V134-A138 WeakPolarHBondContact O-CB 3.32Å; V134-A138 PolarHBondContact O-N 2.91Å; V134-V156 HydrophobicContact CG1-CG1 4.29Å; V134-L160 HydrophobicContact CB-CD1 4.45Å; V134-L160 HydrophobicContact CG1-CD1 4.01Å
135Y94Very high91.5Very high0 Ų037.1 Ų37.10%022%0.217CC..Hα-helixtrans-63.2-49.6176.3-172.3-105.1000111.9L131 A137 A138 C139 L157 L160 L169 P173 L196 D199 A200L131-Y135 VanDerWaalsContact O-CB 3.3Å; L131-Y135 WeakPolarHBondContact O-CB 3.4Å; L131-Y135 PolarHBondContact O-N 3.37Å; Y135-A137 VanDerWaalsContact C-N 3.32Å; Y135-A137 PolarHBondContact O-N 3.2Å; Y135-A138 WeakPolarHBondContact O-CB 3.27Å; Y135-A138 PolarHBondContact O-N 2.79Å; Y135-C139 PolarHBondContact O-N 3.06Å; Y135-C139 PolarHBondContact O-SG 2.85Å; Y135-C139 VanDerWaalsContact O-SG 3.38Å; Y135-L157 HydrophobicContact CD2-CD1 4.3Å; Y135-L157 HydrophobicContact CE2-CD1 3.61Å; Y135-L157 HydrophobicContact CE2-CG 3.86Å; Y135-L160 HydrophobicContact CD2-CD1 4.28Å; Y135-L169 HydrophobicContact CD1-CD1 4.36Å; Y135-L169 HydrophobicContact CD1-CD2 3.95Å; Y135-L169 HydrophobicContact CE1-CD1 3.88Å; Y135-L169 HydrophobicContact CE1-CD2 4.29Å; Y135-P173 HydrophobicContact CD1-CG 3.94Å; Y135-P173 HydrophobicContact CE1-CG 4.11Å; Y135-L196 HydrophobicContact CD2-CD1 4.04Å; Y135-L196 HydrophobicContact CD2-CD2 4.4Å; Y135-L196 HydrophobicContact CD2-CG 4.03Å; Y135-L196 HydrophobicContact CE2-CD2 4.36Å; Y135-L196 HydrophobicContact CE2-CG 4.03Å; Y135-L196 HydrophobicContact CG-CD1 4.08Å; Y135-L196 HydrophobicContact CG-CG 4.41Å; Y135-D199 VanDerWaalsContact CE1-OD2 3.28Å; Y135-D199 WeakPolarHBondContact CE1-OD2 3.49Å; Y135-D199 PolarHBondContact OH-OD2 2.95Å; Y135-A200 HydrophobicContact CE2-CB 4.08Å; Y135-A200 VanDerWaalsContact OH-CA 3.26Å; Y135-A200 WeakPolarHBondContact OH-CA 3.47Å; Y135-A200 WeakPolarHBondContact OH-CB 3.31Å; Y135-A200 PolarHBondContact OH-N 3.41Å; Y135-A200 VanDerWaalsContact OH-N 3.13Å
136S91.4Very high91.9Very high35 Ų3540 Ų4025%0.24522%0.221CC..Hα-helixtrans-59.7-40176-165.10000112.1E132 C139 Q140E132-S136 WeakPolarHBondContact O-CB 3.42Å; E132-S136 PolarHBondContact O-N 3.29Å; S136-C139 PolarHBondContact O-N 3.46Å; S136-Q140 PolarHBondContact O-N 3.34Å
137A92.6Very high92Very high11 Ų1143.5 Ų43.59%0.09124%0.238CC..Hα-helixtrans-64.2-41.1172.400000112.5L69 T72 F84 S133 V134 Y135 Q140 G141L69-A137 HydrophobicContact CD1-CB 3.73Å; T72-A137 HydrophobicContact CG2-CB 4.37Å; F84-A137 HydrophobicContact CE1-CB 4.46Å; F84-A137 VanDerWaalsContact CZ-O 3.31Å; F84-A137 WeakPolarHBondContact CZ-O 3.45Å; S133-A137 WeakPolarHBondContact O-CB 3.48Å; S133-A137 PolarHBondContact O-N 3.32Å; V134-A137 PolarHBondContact O-N 2.94Å; Y135-A137 VanDerWaalsContact C-N 3.32Å; Y135-A137 PolarHBondContact O-N 3.2Å; A137-Q140 PolarHBondContact O-N 2.83Å; A137-G141 PolarHBondContact O-N 2.93Å
138A94.9Very high92.2Very high0 Ų046.7 Ų46.70%026%0.255CS..Hα-helixtrans-65.7-42176.400000112F84 V134 Y135 Q140 G141 L142 V156 L157F84-A138 HydrophobicContact CE1-CB 4.43Å; V134-A138 WeakPolarHBondContact O-CB 3.32Å; V134-A138 PolarHBondContact O-N 2.91Å; Y135-A138 WeakPolarHBondContact O-CB 3.27Å; Y135-A138 PolarHBondContact O-N 2.79Å; A138-Q140 VanDerWaalsContact C-N 3.35Å; A138-Q140 PolarHBondContact O-N 2.93Å; A138-G141 CarbonylContact O-C 3.59Å; A138-G141 WeakPolarHBondContact O-CA 3.14Å; A138-G141 PolarHBondContact O-N 2.76Å; A138-G141 VanDerWaalsContact O-N 3.1Å; A138-L142 PolarHBondContact O-N 3.02Å; A138-V156 HydrophobicContact CB-CB 4.45Å; A138-V156 HydrophobicContact CB-CG1 4.08Å; A138-L157 HydrophobicContact CB-CB 4.06Å
139C92.6Very high92.5Very high1 Ų141.9 Ų41.91%0.00723%0.232CC..Hα-helixtrans-59.1-41.9171.6-69.80000112.2Y135 S136 G141 L142 L157 P173 R203Y135-C139 PolarHBondContact O-N 3.06Å; Y135-C139 PolarHBondContact O-SG 2.85Å; Y135-C139 VanDerWaalsContact O-SG 3.38Å; S136-C139 PolarHBondContact O-N 3.46Å; C139-G141 VanDerWaalsContact C-N 3.34Å; C139-L142 WeakPolarHBondContact O-CB 3.49Å; C139-L142 PolarHBondContact O-N 3.17Å; C139-L157 WeakPolarHBondContact SG-CD1 3.4Å; C139-P173 HydrophobicContact CB-CB 4.05Å; C139-R203 VanDerWaalsContact SG-CD 3.54Å
140Q90.8Very high92.8Very high98 Ų9839 Ų3946%0.45821%0.205SC..Hα-helixtrans-64.7-38.9172.7-172.3177.6-2.500111.7S136 A137 A138 L142 L143 F175S136-Q140 PolarHBondContact O-N 3.34Å; A137-Q140 PolarHBondContact O-N 2.83Å; A138-Q140 VanDerWaalsContact C-N 3.35Å; A138-Q140 PolarHBondContact O-N 2.93Å; Q140-L142 VanDerWaalsContact C-N 3.28Å; Q140-L142 PolarHBondContact O-N 3.37Å; Q140-L143 PolarHBondContact O-N 2.85Å; Q140-L143 VanDerWaalsContact O-N 3.13Å; Q140-F175 HydrophobicContact CB-CD2 4.28Å
141G92.8Very high93.1Very high4 Ų442.4 Ų42.44%0.04121%0.214CC..Hα-helixtrans-63.3-27.8175.500000114.2A137 A138 C139 L143 D144 R150 S153A137-G141 PolarHBondContact O-N 2.93Å; A138-G141 CarbonylContact O-C 3.59Å; A138-G141 WeakPolarHBondContact O-CA 3.14Å; A138-G141 PolarHBondContact O-N 2.76Å; A138-G141 VanDerWaalsContact O-N 3.1Å; C139-G141 VanDerWaalsContact C-N 3.34Å; G141-L143 PolarHBondContact O-N 3.13Å; G141-L143 VanDerWaalsContact O-N 3.14Å; G141-D144 WeakPolarHBondContact O-CB 3.27Å; G141-D144 PolarHBondContact O-N 2.88Å; G141-R150 WeakPolarHBondContact O-CA 3.49Å; G141-S153 PolarHBondContact O-OG 3.05Å
142L92.7Very high93.3Very high5 Ų542.7 Ų42.73%0.02622%0.216CC..THydrogen-bonded Turntrans-64.1-12.7173.4-68.5-176.3000113.9A138 C139 Q140 R150 S153 L154 L157 R203 R207A138-L142 PolarHBondContact O-N 3.02Å; C139-L142 WeakPolarHBondContact O-CB 3.49Å; C139-L142 PolarHBondContact O-N 3.17Å; Q140-L142 VanDerWaalsContact C-N 3.28Å; Q140-L142 PolarHBondContact O-N 3.37Å; L142-R150 VanDerWaalsContact O-CD 3.31Å; L142-R150 WeakPolarHBondContact O-CD 3.25Å; L142-S153 PolarHBondContact N-OG 3.28Å; L142-L154 HydrophobicContact CD2-CB 3.57Å; L142-L154 HydrophobicContact CD2-CD1 3.76Å; L142-L154 HydrophobicContact CD2-CG 4.22Å; L142-L157 HydrophobicContact CD1-CD1 4.04Å; L142-R203 HydrophobicContact CD1-CB 3.85Å; L142-R207 HydrophobicContact CD2-CG 4.22Å; L142-R207 PolarHBondContact O-NH1 2.72Å
143L89.8Confident93.7Very high65 Ų6539.5 Ų39.534%0.3420%0.201SC..THydrogen-bonded Turntrans-109.310.4-179.6-56.7172.9000112.4Q140 G141 F175Q140-L143 PolarHBondContact O-N 2.85Å; Q140-L143 VanDerWaalsContact O-N 3.13Å; G141-L143 PolarHBondContact O-N 3.13Å; G141-L143 VanDerWaalsContact O-N 3.14Å; L143-F175 HydrophobicContact CD1-CB 3.94Å
144D93.2Very high94Very high23 Ų2337.3 Ų37.312%0.12319%0.186CC..  trans-66.8144.8177.8-154.7-65.9000111.6R80 G141 E146 V149 R150R80-D144 IonicContact CZ-OD1 3.5Å; R80-D144 IonicContact CZ-OD2 3.04Å; R80-D144 IonicContact NE-OD2 3.82Å; R80-D144 PolarHBondContact NE-OD2 3.15Å; R80-D144 VanDerWaalsContact NH2-CG 3.29Å; R80-D144 IonicContact NH2-OD1 3.58Å; R80-D144 PolarHBondContact NH2-OD1 3.09Å; R80-D144 IonicContact NH2-OD2 2.68Å; R80-D144 PolarHBondContact NH2-OD2 2.88Å; G141-D144 WeakPolarHBondContact O-CB 3.27Å; G141-D144 PolarHBondContact O-N 2.88Å; D144-E146 PolarHBondContact O-N 3.3Å; D144-E146 PolarHBondContact OD1-N 2.95Å; D144-V149 HydrophobicContact CB-CB 3.76Å; D144-V149 HydrophobicContact CB-CG1 3.86Å; D144-V149 WeakPolarHBondContact OD2-CG1 3.46Å; D144-R150 HydrophobicContact CB-CG 4.01Å; D144-R150 WeakPolarHBondContact O-CD 3.46Å; D144-R150 WeakPolarHBondContact O-CG 3.31Å; D144-R150 PolarHBondContact O-NH1 2.91Å
145N90.5Very high94.1Very high154 Ų15440.4 Ų40.482%0.82420%0.2SC*.SBendtrans-60.6-32.9173.6-62.7-18.7000111.4R150N145-R150 VanDerWaalsContact C-NH1 3.31Å; N145-R150 PolarHBondContact O-NH1 2.7Å
146E94.6Very high94.2Very high90 Ų9040.4 Ų40.442%0.42120%0.2SC..SBendtrans-93.1122.5-170.7-69.9-76.3172.200112.4P77 D144 L148 V149 R150P77-E146 HydrophobicContact CB-CB 3.83Å; P77-E146 HydrophobicContact CB-CG 3.6Å; P77-E146 HydrophobicContact CG-CG 3.87Å; D144-E146 PolarHBondContact O-N 3.3Å; D144-E146 PolarHBondContact OD1-N 2.95Å; E146-L148 VanDerWaalsContact C-N 3.26Å; E146-L148 PolarHBondContact O-N 3.05Å; E146-V149 HydrophobicContact CB-CG2 4.07Å; E146-V149 PolarHBondContact O-N 3.21Å; E146-R150 PolarHBondContact O-N 3.38Å
147E94.9Very high94.4Very high85 Ų8538.8 Ų38.840%0.39719%0.188SC..Hα-helixtrans-48.1-47.1-179167178.6-170.600112.6V149 R150 R151 S212 S214 V215E147-V149 VanDerWaalsContact C-N 3.27Å; E147-V149 PolarHBondContact O-N 3.4Å; E147-R150 PolarHBondContact O-N 3Å; E147-R151 VanDerWaalsContact O-CB 3.29Å; E147-R151 WeakPolarHBondContact O-CB 3.14Å; E147-R151 PolarHBondContact O-N 2.77Å; E147-S212 PolarHBondContact OE1-OG 2.96Å; E147-S214 WeakPolarHBondContact OE1-CB 3.19Å; E147-S214 PolarHBondContact OE1-OG 3.37Å; E147-V215 HydrophobicContact CG-CG2 4.18Å
148L95.1Very high94.4Very high66 Ų6638.4 Ų38.435%0.34619%0.186SC..Hα-helixtrans-63.7-31.9-176.351.289.9000112.6P77 D81 E146 T152P77-L148 HydrophobicContact CB-CD1 4.44Å; D81-L148 HydrophobicContact CB-CD1 3.72Å; E146-L148 VanDerWaalsContact C-N 3.26Å; E146-L148 PolarHBondContact O-N 3.05Å; L148-T152 PolarHBondContact O-N 3.2Å; L148-T152 PolarHBondContact O-OG1 3.2Å; L148-T152 VanDerWaalsContact O-OG1 3.07Å
149V96.4Very high94.5Very high0 Ų039.6 Ų39.60%019%0.191CC..Hα-helixtrans-73.7-50.3174.4-1720000110.1P77 R80 F84 D144 E146 E147 R151 T152 S153P77-V149 HydrophobicContact CB-CG2 3.85Å; P77-V149 WeakPolarHBondContact O-CG2 3.39Å; R80-V149 HydrophobicContact CB-CG1 3.93Å; R80-V149 HydrophobicContact CB-CG2 3.99Å; F84-V149 HydrophobicContact CD2-CG1 3.87Å; F84-V149 HydrophobicContact CE2-CG1 3.66Å; D144-V149 HydrophobicContact CB-CB 3.76Å; D144-V149 HydrophobicContact CB-CG1 3.86Å; D144-V149 WeakPolarHBondContact OD2-CG1 3.46Å; E146-V149 HydrophobicContact CB-CG2 4.07Å; E146-V149 PolarHBondContact O-N 3.21Å; E147-V149 VanDerWaalsContact C-N 3.27Å; E147-V149 PolarHBondContact O-N 3.4Å; V149-R151 VanDerWaalsContact C-N 3.26Å; V149-R151 PolarHBondContact O-N 3Å; V149-T152 PolarHBondContact O-N 2.65Å; V149-S153 WeakPolarHBondContact O-CB 3.36Å; V149-S153 PolarHBondContact O-N 3.28Å; V149-S153 PolarHBondContact O-OG 3.12Å
150R96Very high94.5Very high22 Ų2239.6 Ų39.68%0.08319%0.191CC..Hα-helixtrans-56.2-41.3178.4-64.8-160-59.4-74.10.9112.2G141 L142 D144 N145 E146 E147 S153 L154 D210 V215G141-R150 WeakPolarHBondContact O-CA 3.49Å; L142-R150 VanDerWaalsContact O-CD 3.31Å; L142-R150 WeakPolarHBondContact O-CD 3.25Å; D144-R150 HydrophobicContact CB-CG 4.01Å; D144-R150 WeakPolarHBondContact O-CD 3.46Å; D144-R150 WeakPolarHBondContact O-CG 3.31Å; D144-R150 PolarHBondContact O-NH1 2.91Å; N145-R150 VanDerWaalsContact C-NH1 3.31Å; N145-R150 PolarHBondContact O-NH1 2.7Å; E146-R150 PolarHBondContact O-N 3.38Å; E147-R150 PolarHBondContact O-N 3Å; R150-S153 PolarHBondContact O-OG 3.38Å; R150-L154 WeakPolarHBondContact O-CB 3.4Å; R150-L154 PolarHBondContact O-N 3.18Å; R150-D210 IonicContact CZ-OD1 3.88Å; R150-D210 IonicContact CZ-OD2 3.29Å; R150-D210 IonicContact NE-OD1 3.58Å; R150-D210 PolarHBondContact NE-OD1 3.39Å; R150-D210 IonicContact NE-OD2 3.12Å; R150-D210 PolarHBondContact NE-OD2 3.21Å; R150-D210 IonicContact NH2-OD1 2.66Å; R150-D210 PolarHBondContact NH2-OD1 2.83Å; R150-D210 IonicContact NH2-OD2 2.7Å; R150-V215 HydrophobicContact CB-CG2 4.35Å
151R96.7Very high94.6Very high112 Ų11234.9 Ų34.942%0.42317%0.169SC..Hα-helixtrans-66.2-45.4179.9-164.3-176.172.4170.42.1111.9E147 V149 H155 S214 V215 L218E147-R151 VanDerWaalsContact O-CB 3.29Å; E147-R151 WeakPolarHBondContact O-CB 3.14Å; E147-R151 PolarHBondContact O-N 2.77Å; V149-R151 VanDerWaalsContact C-N 3.26Å; V149-R151 PolarHBondContact O-N 3Å; R151-H155 PolarHBondContact O-N 3.05Å; R151-S214 WeakPolarHBondContact CD-OG 3.25Å; R151-V215 HydrophobicContact CB-CG2 3.96Å; R151-V215 HydrophobicContact CG-CG2 4.43Å; R151-L218 HydrophobicContact CG-CD2 3.48Å; R151-L218 VanDerWaalsContact CG-CD2 3.48Å; R151-L218 WeakPolarHBondContact O-CD2 3.17Å
152T96.6Very high94.6Very high11 Ų1136 Ų367%0.06718%0.175CC..Hα-helixtrans-74.3-36.1-178.7-55.80000111.5D81 F84 H85 L148 V149 H155 V156D81-T152 WeakPolarHBondContact OD1-CB 3.38Å; D81-T152 PolarHBondContact OD1-OG1 3.02Å; F84-T152 HydrophobicContact CB-CG2 3.71Å; H85-T152 HydrophobicContact CB-CG2 4.1Å; L148-T152 PolarHBondContact O-N 3.2Å; L148-T152 PolarHBondContact O-OG1 3.2Å; L148-T152 VanDerWaalsContact O-OG1 3.07Å; V149-T152 PolarHBondContact O-N 2.65Å; T152-H155 PolarHBondContact O-N 2.65Å; T152-V156 PolarHBondContact O-N 3.15Å; T152-V156 VanDerWaalsContact O-N 3.1Å
153S96.7Very high94.5Very high0 Ų037.1 Ų37.10%018%0.181CC..Hα-helixtrans-68.8-37.2174.474.50000112.8G141 L142 V149 R150 H155 V156 L157G141-S153 PolarHBondContact O-OG 3.05Å; L142-S153 PolarHBondContact N-OG 3.28Å; V149-S153 WeakPolarHBondContact O-CB 3.36Å; V149-S153 PolarHBondContact O-N 3.28Å; V149-S153 PolarHBondContact O-OG 3.12Å; R150-S153 PolarHBondContact O-OG 3.38Å; S153-H155 VanDerWaalsContact C-N 3.28Å; S153-H155 PolarHBondContact O-N 2.8Å; S153-V156 WeakPolarHBondContact O-CB 3.49Å; S153-V156 PolarHBondContact O-N 3.21Å; S153-L157 WeakPolarHBondContact O-CB 3.43Å; S153-L157 PolarHBondContact O-N 2.87Å
154L96.9Very high94.6Very high0 Ų035.8 Ų35.80%017%0.171CC..Hα-helixtrans-58.6-40.4172.6-179.462.4000111.6L142 R150 L157 G158 V204 R207 V215 L218 A219 I222L142-L154 HydrophobicContact CD2-CB 3.57Å; L142-L154 HydrophobicContact CD2-CD1 3.76Å; L142-L154 HydrophobicContact CD2-CG 4.22Å; R150-L154 WeakPolarHBondContact O-CB 3.4Å; R150-L154 PolarHBondContact O-N 3.18Å; L154-L157 PolarHBondContact O-N 3.16Å; L154-G158 PolarHBondContact O-N 3.15Å; L154-V204 HydrophobicContact CD1-CB 4.5Å; L154-V204 HydrophobicContact CD1-CG2 3.78Å; L154-R207 HydrophobicContact CD1-CB 4.44Å; L154-R207 HydrophobicContact CD1-CG 4.16Å; L154-R207 HydrophobicContact CD2-CB 4.15Å; L154-R207 HydrophobicContact CD2-CG 4.38Å; L154-V215 HydrophobicContact CD2-CG1 3.93Å; L154-L218 HydrophobicContact CD2-CB 4.45Å; L154-L218 HydrophobicContact CD2-CD2 4.32Å; L154-L218 HydrophobicContact CD2-CG 4.24Å; L154-A219 HydrophobicContact CD2-CB 4Å; L154-I222 HydrophobicContact CG-CD1 3.95Å; L154-I222 WeakPolarHBondContact O-CD1 3.38Å
155H96.1Very high94.4Very high67 Ų6735.3 Ų35.331%0.3117%0.169SC..Hα-helixtrans-68.8-38.1175.6-157.3176.4000112.4L88 R151 T152 S153 K159 L218 I222L88-H155 HydrophobicContact CD1-CB 4.15Å; L88-H155 HydrophobicContact CD2-CB 4.09Å; R151-H155 PolarHBondContact O-N 3.05Å; T152-H155 PolarHBondContact O-N 2.65Å; S153-H155 VanDerWaalsContact C-N 3.28Å; S153-H155 PolarHBondContact O-N 2.8Å; H155-K159 VanDerWaalsContact O-CB 3.32Å; H155-K159 WeakPolarHBondContact O-CB 3.49Å; H155-K159 PolarHBondContact O-N 2.89Å; H155-L218 HydrophobicContact CB-CD2 4.29Å; H155-I222 HydrophobicContact CB-CD1 4.48Å
156V96.6Very high94.2Very high0 Ų034 Ų340%016%0.158CC..Hα-helixtrans-60.4-50.2171.9170.80000110.9F84 L87 L88 L91 V134 A138 T152 S153 K159 L160F84-V156 HydrophobicContact CB-CG2 4.07Å; F84-V156 HydrophobicContact CD1-CG2 4.33Å; F84-V156 WeakPolarHBondContact O-CG2 3.35Å; L87-V156 HydrophobicContact CB-CG2 4.35Å; L88-V156 HydrophobicContact CB-CG2 3.8Å; L91-V156 HydrophobicContact CD1-CG1 4.02Å; V134-V156 HydrophobicContact CG1-CG1 4.29Å; A138-V156 HydrophobicContact CB-CB 4.45Å; A138-V156 HydrophobicContact CB-CG1 4.08Å; T152-V156 PolarHBondContact O-N 3.15Å; T152-V156 VanDerWaalsContact O-N 3.1Å; S153-V156 WeakPolarHBondContact O-CB 3.49Å; S153-V156 PolarHBondContact O-N 3.21Å; V156-K159 PolarHBondContact O-N 2.89Å; V156-K159 VanDerWaalsContact O-N 3.12Å; V156-L160 HydrophobicContact CG1-CD1 3.96Å; V156-L160 HydrophobicContact CG1-CG 4.4Å; V156-L160 WeakPolarHBondContact O-CG 3.33Å; V156-L160 PolarHBondContact O-N 3.11Å
157L95.1Very high93.9Very high0 Ų032.6 Ų32.60%015%0.151CC..Hα-helixtrans-56.6-54.8179.8178.3128.2000111.3Y135 A138 C139 L142 S153 L154 K159 L160 S161 A200 V204Y135-L157 HydrophobicContact CD2-CD1 4.3Å; Y135-L157 HydrophobicContact CE2-CD1 3.61Å; Y135-L157 HydrophobicContact CE2-CG 3.86Å; A138-L157 HydrophobicContact CB-CB 4.06Å; C139-L157 WeakPolarHBondContact SG-CD1 3.4Å; L142-L157 HydrophobicContact CD1-CD1 4.04Å; S153-L157 WeakPolarHBondContact O-CB 3.43Å; S153-L157 PolarHBondContact O-N 2.87Å; L154-L157 PolarHBondContact O-N 3.16Å; L157-K159 PolarHBondContact O-N 3.41Å; L157-L160 PolarHBondContact O-N 2.81Å; L157-S161 PolarHBondContact O-N 2.99Å; L157-S161 PolarHBondContact O-OG 3.45Å; L157-A200 HydrophobicContact CD2-CB 3.84Å; L157-A200 HydrophobicContact CG-CB 4.2Å; L157-V204 HydrophobicContact CD2-CG2 3.83Å
158G94.6Very high93.4Very high4 Ų430.4 Ų30.44%0.04115%0.146CC..Hα-helixtrans-56.4-37.6175.700000112.8L154 S161 T162L154-G158 PolarHBondContact O-N 3.15Å; G158-S161 PolarHBondContact O-N 3.49Å; G158-T162 WeakPolarHBondContact O-CG2 3.48Å; G158-T162 PolarHBondContact O-N 3.08Å; G158-T162 VanDerWaalsContact O-N 3.14Å
159K95Very high92.8Very high25 Ų2527.9 Ų27.911%0.10913%0.132CC..Hα-helixtrans-71.3-41.3-178.7-150.352151.6-169.50113.3L88 L91 H155 V156 L157 S161 T162 I163L88-K159 HydrophobicContact CD1-CB 4.34Å; L91-K159 HydrophobicContact CB-CB 4.45Å; L91-K159 HydrophobicContact CB-CG 4.08Å; L91-K159 HydrophobicContact CD1-CB 4.38Å; H155-K159 VanDerWaalsContact O-CB 3.32Å; H155-K159 WeakPolarHBondContact O-CB 3.49Å; H155-K159 PolarHBondContact O-N 2.89Å; V156-K159 PolarHBondContact O-N 2.89Å; V156-K159 VanDerWaalsContact O-N 3.12Å; L157-K159 PolarHBondContact O-N 3.41Å; K159-S161 VanDerWaalsContact C-N 3.33Å; K159-S161 PolarHBondContact O-N 3.25Å; K159-T162 PolarHBondContact O-N 2.87Å; K159-T162 PolarHBondContact O-OG1 3.49Å; K159-I163 HydrophobicContact CG-CD1 4.42Å; K159-I163 WeakPolarHBondContact O-CG1 3.37Å; K159-I163 PolarHBondContact O-N 3.46Å
160L93.9Very high91.9Very high0 Ų033.3 Ų33.30%017%0.165CC..Hα-helixtrans-55.2-50.2172.5-69.1166.5000110.7L91 F127 L131 V134 Y135 V156 L157 T162 I163 W164L91-L160 HydrophobicContact CD1-CD2 3.78Å; L91-L160 HydrophobicContact CD1-CG 3.86Å; L91-L160 HydrophobicContact CD2-CD2 3.63Å; L91-L160 HydrophobicContact CD2-CG 4.47Å; L91-L160 HydrophobicContact CG-CD2 4.35Å; F127-L160 HydrophobicContact CD1-CD2 4.32Å; L131-L160 HydrophobicContact CD1-CD2 3.83Å; V134-L160 HydrophobicContact CB-CD1 4.45Å; V134-L160 HydrophobicContact CG1-CD1 4.01Å; Y135-L160 HydrophobicContact CD2-CD1 4.28Å; V156-L160 HydrophobicContact CG1-CD1 3.96Å; V156-L160 HydrophobicContact CG1-CG 4.4Å; V156-L160 WeakPolarHBondContact O-CG 3.33Å; V156-L160 PolarHBondContact O-N 3.11Å; L157-L160 PolarHBondContact O-N 2.81Å; L160-T162 VanDerWaalsContact C-N 3.29Å; L160-T162 PolarHBondContact O-N 2.79Å; L160-I163 PolarHBondContact O-N 3.08Å; L160-W164 HydrophobicContact CD2-CE3 4.47Å; L160-W164 HydrophobicContact CD2-CZ3 4.14Å; L160-W164 PolarHBondContact O-N 2.88Å
161S92.9Very high90.6Very high0 Ų038.6 Ų38.60%020%0.195CC..Hα-helixtrans-67.3-23.4-177.3-540000114.3L157 G158 K159 P165 L196 A200L157-S161 PolarHBondContact O-N 2.99Å; L157-S161 PolarHBondContact O-OG 3.45Å; G158-S161 PolarHBondContact O-N 3.49Å; K159-S161 VanDerWaalsContact C-N 3.33Å; K159-S161 PolarHBondContact O-N 3.25Å; S161-P165 VanDerWaalsContact O-CA 3.29Å; S161-P165 WeakPolarHBondContact O-CA 3.31Å; S161-P165 WeakPolarHBondContact O-CB 3.44Å; S161-L196 VanDerWaalsContact CA-CD2 3.49Å; S161-L196 WeakPolarHBondContact OG-CD2 3.45Å; S161-L196 PolarHBondContact OG-O 2.85Å; S161-A200 WeakPolarHBondContact OG-CB 3.2Å
162T92.3Very high89.3Confident27 Ų2736 Ų3617%0.16619%0.192CC..Hα-helixtrans-79.1-14.7169.160.30000114.8G158 K159 L160 D225 L226 F229G158-T162 WeakPolarHBondContact O-CG2 3.48Å; G158-T162 PolarHBondContact O-N 3.08Å; G158-T162 VanDerWaalsContact O-N 3.14Å; K159-T162 PolarHBondContact O-N 2.87Å; K159-T162 PolarHBondContact O-OG1 3.49Å; L160-T162 VanDerWaalsContact C-N 3.29Å; L160-T162 PolarHBondContact O-N 2.79Å; T162-D225 HydrophobicContact CG2-CB 4.23Å; T162-L226 HydrophobicContact CG2-CD2 3.87Å; T162-F229 HydrophobicContact CG2-CE2 4.42Å
163I91.4Very high87.8Confident28 Ų2835.9 Ų35.914%0.14419%0.191CC..Hα-helixtrans-100.7-43-177.6-61.7166.8000111L91 N95 L98 K159 L160 P165L91-I163 HydrophobicContact CB-CD1 4.45Å; L91-I163 HydrophobicContact CD2-CD1 4.05Å; N95-I163 HydrophobicContact CB-CD1 4.09Å; N95-I163 HydrophobicContact CB-CG1 4.36Å; L98-I163 HydrophobicContact CD1-CG2 3.81Å; K159-I163 HydrophobicContact CG-CD1 4.42Å; K159-I163 WeakPolarHBondContact O-CG1 3.37Å; K159-I163 PolarHBondContact O-N 3.46Å; L160-I163 PolarHBondContact O-N 3.08Å; I163-P165 WeakPolarHBondContact O-CD 3.36Å
164W91.5Very high86.1Confident37 Ų3742.8 Ų42.814%0.1423%0.233CC..SBendtrans-122.161.8176.4-61.2-86.9000111.5L91 L94 F127 E128 L131 L160 H166 H167L91-W164 HydrophobicContact CD2-CZ3 4Å; L94-W164 HydrophobicContact CD2-CH2 3.52Å; L94-W164 HydrophobicContact CD2-CZ2 4.04Å; L94-W164 HydrophobicContact CD2-CZ3 4.46Å; F127-W164 HydrophobicContact CB-CH2 3.39Å; F127-W164 HydrophobicContact CB-CZ2 4.03Å; F127-W164 HydrophobicContact CB-CZ3 4.03Å; F127-W164 HydrophobicContact CD2-CH2 4.43Å; F127-W164 HydrophobicContact CG-CH2 4.02Å; F127-W164 HydrophobicContact CG-CZ3 4.44Å; E128-W164 HydrophobicContact CG-CZ2 3.82Å; E128-W164 PolarHBondContact OE1-NE1 3.16Å; L131-W164 HydrophobicContact CD1-CD2 4.49Å; L131-W164 HydrophobicContact CD1-CE3 3.97Å; L131-W164 HydrophobicContact CD1-CZ3 4.45Å; L131-W164 HydrophobicContact CD2-CB 3.91Å; L131-W164 HydrophobicContact CD2-CD2 4.18Å; L131-W164 HydrophobicContact CD2-CE3 4.46Å; L131-W164 HydrophobicContact CD2-CG 3.96Å; L160-W164 HydrophobicContact CD2-CE3 4.47Å; L160-W164 HydrophobicContact CD2-CZ3 4.14Å; L160-W164 PolarHBondContact O-N 2.88Å; W164-H166 PolarHBondContact O-N 3.04Å; W164-H167 HydrophobicContact CB-CB 4.21Å; W164-H167 PolarHBondContact O-N 2.96Å
165P88.4Confident84Confident13 Ų1346.1 Ų46.18%0.08425%0.248CC..THydrogen-bonded Turntrans-61.9-42.7-173.822.3-32.8000113.2S161 I163 H167 V197 F229S161-P165 VanDerWaalsContact O-CA 3.29Å; S161-P165 WeakPolarHBondContact O-CA 3.31Å; S161-P165 WeakPolarHBondContact O-CB 3.44Å; I163-P165 WeakPolarHBondContact O-CD 3.36Å; P165-H167 VanDerWaalsContact C-N 3.26Å; P165-H167 PolarHBondContact O-N 2.99Å; P165-V197 HydrophobicContact CB-CB 3.91Å; P165-V197 HydrophobicContact CB-CG1 4.25Å; P165-V197 HydrophobicContact CB-CG2 4.12Å; P165-V197 WeakPolarHBondContact O-CB 3Å; P165-V197 PolarHBondContact O-N 2.76Å; P165-F229 HydrophobicContact CB-CB 3.98Å; P165-F229 HydrophobicContact CB-CD1 4.01Å; P165-F229 HydrophobicContact CB-CG 4.08Å; P165-F229 HydrophobicContact CG-CD1 3.77Å; P165-F229 HydrophobicContact CG-CE1 4.11Å; P165-F229 HydrophobicContact CG-CG 4.32Å
166H86.5Confident81.6Confident127 Ų12745.9 Ų45.959%0.58825%0.253SS*.THydrogen-bonded Turntrans-89.927.4-176-50.4-51.1000113.3W164 Q195W164-H166 PolarHBondContact O-N 3.04Å; H166-Q195 PolarHBondContact ND1-OE1 2.94Å
167H87.8Confident79.2Confident61 Ų6148.5 Ų48.528%0.28227%0.267SS..PPolyproline II helixtrans-84.1116.9172.9-179.266.9000109.7L131 W164 P165 L169 L196L131-H167 HydrophobicContact CD2-CB 4.14Å; L131-H167 VanDerWaalsContact CD2-CD2 3.43Å; L131-H167 WeakPolarHBondContact CD2-CD2 3.49Å; W164-H167 HydrophobicContact CB-CB 4.21Å; W164-H167 PolarHBondContact O-N 2.96Å; P165-H167 VanDerWaalsContact C-N 3.26Å; P165-H167 PolarHBondContact O-N 2.99Å; H167-L169 PolarHBondContact O-N 3.29Å; H167-L196 HydrophobicContact CB-CB 4.22Å; H167-L196 VanDerWaalsContact O-CB 3.26Å; H167-L196 WeakPolarHBondContact O-CB 3.38Å; H167-L196 PolarHBondContact O-N 2.96Å
168S85.9Confident76.5Confident39 Ų3952.4 Ų52.427%0.27329%0.288SS..BIsolated β-bridgetrans-67.5123171-53.10000110.3E193S168-E193 WeakPolarHBondContact CB-OE2 3.5Å; S168-E193 PolarHBondContact OG-OE2 3.3Å
169L82.3Confident73.6Confident13 Ų1358.2 Ų58.27%0.06833%0.328CS..PPolyproline II helixtrans-77.1132.8173.5-67.4170.7000110.3E132 Y135 H167 T194 L196 D199E132-L169 HydrophobicContact CG-CD2 4.43Å; Y135-L169 HydrophobicContact CD1-CD1 4.36Å; Y135-L169 HydrophobicContact CD1-CD2 3.95Å; Y135-L169 HydrophobicContact CE1-CD1 3.88Å; Y135-L169 HydrophobicContact CE1-CD2 4.29Å; H167-L169 PolarHBondContact O-N 3.29Å; L169-T194 PolarHBondContact N-O 3.26Å; L169-T194 VanDerWaalsContact N-O 3.15Å; L169-L196 HydrophobicContact CD2-CB 4.22Å; L169-L196 HydrophobicContact CD2-CD1 3.97Å; L169-L196 HydrophobicContact CD2-CG 4.33Å; L169-L196 HydrophobicContact CG-CB 4.16Å; L169-D199 HydrophobicContact CD1-CB 4.27Å
170T76.2Confident70.6Confident113 Ų11360.5 Ų60.569%0.69334%0.341SS*.SBendtrans-83-36.3175.767.10000112.8E132E132-T170 VanDerWaalsContact OE1-CB 3.32Å; E132-T170 WeakPolarHBondContact OE1-CB 3.34Å; E132-T170 PolarHBondContact OE1-N 3.41Å; E132-T170 PolarHBondContact OE1-OG1 3.44Å; E132-T170 PolarHBondContact OE2-OG1 3.42Å
171D69.6Low67.7Low134 Ų13465 Ų6572%0.71737%0.368SS*.SBendtrans-128.1107.1173.8-100.2-23.5000108.7P173D171-P173 WeakPolarHBondContact O-CD 3.38Å
172V68.4Low64.4Low57 Ų5768 Ų6835%0.34539%0.389SS..  trans-65.2127175.1179.40000109.8V174 T194V172-V174 WeakPolarHBondContact O-CG2 3.48Å; V172-V174 PolarHBondContact O-N 3.45Å; V172-T194 HydrophobicContact CG2-CG2 4.2Å; V172-T194 WeakPolarHBondContact CG2-OG1 3.39Å
173P66.2Low61.3Low9 Ų972 Ų726%0.05842%0.418CS..  trans-65.1100.7-179.9-23.735.1000112.4Y135 C139 D171 F175 R203Y135-P173 HydrophobicContact CD1-CG 3.94Å; Y135-P173 HydrophobicContact CE1-CG 4.11Å; C139-P173 HydrophobicContact CB-CB 4.05Å; D171-P173 WeakPolarHBondContact O-CD 3.38Å; P173-F175 HydrophobicContact CB-CD2 4.2Å; P173-F175 PolarHBondContact O-N 3.48Å; P173-R203 PolarHBondContact O-NH1 3.44Å; P173-R203 VanDerWaalsContact O-NH1 3.17Å; P173-R203 PolarHBondContact O-NH2 3.45Å
174V60.6Low58.1Low144 Ų14479.3 Ų79.387%0.87345%0.449SS*.  trans-6714.5176.8-153.70000113.2V172 S176V172-V174 WeakPolarHBondContact O-CG2 3.48Å; V172-V174 PolarHBondContact O-N 3.45Å; V174-S176 VanDerWaalsContact C-N 3.32Å; V174-S176 PolarHBondContact O-N 2.88Å
175F53.2Low55.1Low71 Ų7184.8 Ų84.831%0.31148%0.479SS..SBendtrans-73.390.5168.9-61.8-57.7000109Q140 L143 P173 R203Q140-F175 HydrophobicContact CB-CD2 4.28Å; L143-F175 HydrophobicContact CD1-CB 3.94Å; P173-F175 HydrophobicContact CB-CD2 4.2Å; P173-F175 PolarHBondContact O-N 3.48Å; F175-R203 PolarHBondContact O-NH1 2.93Å; F175-R203 VanDerWaalsContact O-NH1 3.09Å
176S46Very low52.2Low61 Ų6189.6 Ų89.643%0.42751%0.512SS..  trans23.2103.1170.7-60.70000118.3V174V174-S176 VanDerWaalsContact C-N 3.32Å; V174-S176 PolarHBondContact O-N 2.88Å
177L45Very low49.3Very low55 Ų5590.5 Ų90.529%0.28852%0.521SS..SBend-58.7150.8117.9-76.983.4000108I202L177-I202 HydrophobicContact CD2-CG2 3.94Å
178N39.5Very low46.3Very low82 Ų8295.1 Ų95.144%0.43955%0.547SS..  trans-49.3154.5-162.6-62.3-21000114.4L180 R207N178-L180 PolarHBondContact O-N 3.22Å; N178-R207 PolarHBondContact OD1-NH2 3.39Å; N178-R207 VanDerWaalsContact OD1-NH2 3.16Å
179S33.4Very low43.5Very low126 Ų12698.8 Ų98.888%0.88157%0.573SS**SBendtrans-59.968.3-177.4179.20000114.3
180L31.9Very low41.2Very low74 Ų74105.7 Ų105.739%0.38761%0.61SS.*  trans-160.218.6-172-109.7167.9000112.3N178N178-L180 PolarHBondContact O-N 3.22Å
181V32.6Very low39.6Very low94 Ų94108.4 Ų108.457%0.5762%0.619SS**SBendtrans-130.592.7164.8-1790000106.6L292V181-L292 HydrophobicContact CG1-CD2 4.41Å
182S25Very low38.6Very low62 Ų62110.2 Ų110.243%0.43462%0.623SS.*  trans-70150.3179.1-1730000112K184 D537S182-K184 PolarHBondContact O-N 2.68Å; S182-D537 WeakPolarHBondContact CB-OD1 3.43Å; S182-D537 PolarHBondContact N-OD1 2.67Å
183S25.2Very low38.3Very low111 Ų111114.2 Ų114.278%0.77664%0.638SS**SBendtrans-70.9111.1-166.655.40000114.3
184K24.6Very low38.6Very low183 Ų183115.3 Ų115.380%0.79665%0.645SS**  trans-169.5149.4152.4-117.3172.9-179.4174.40113.3S182S182-K184 PolarHBondContact O-N 2.68Å
185I29.3Very low39.8Very low151 Ų151111.8 Ų111.877%0.77462%0.619SS**  trans70.9139.7153.2-67.8164.4000114.3
186C26.5Very low41.6Very low114 Ų114108.4 Ų108.477%0.7760%0.604SS**  cis-140.5172.2-2.7-146.50000112.5
187L25.9Very low43.7Very low147 Ų147105.5 Ų105.577%0.7758%0.584SS**SBendtrans-81.1165.7146.3-67.6106.3000109
188D25.3Very low45.7Very low158 Ų158104.2 Ų104.285%0.84558%0.577SS**  trans71.172.9176.4-52.4-21.2000115.3
189S27.9Very low48Very low115 Ų115100.4 Ų100.480%0.80456%0.557SS**SBendtrans-146.6151.6143.8-67.10000107L191S189-L191 PolarHBondContact O-N 2.57Å
190D32.6Very low50.8Low159 Ų15994.4 Ų94.485%0.8552%0.515SS*.  trans-58.1138.2-174.4-68.4-65.7000111.9E192D190-E192 VanDerWaalsContact C-N 3.3Å; D190-E192 PolarHBondContact O-N 2.95Å
191L42.7Very low53.6Low170 Ų17090.9 Ų90.989%0.8950%0.496SS*.  trans-72.582179.8-78.1164.5000110.4S189 E193S189-L191 PolarHBondContact O-N 2.57Å; L191-E193 PolarHBondContact O-N 2.76Å; L191-E193 VanDerWaalsContact O-N 3.11Å
192E49.4Very low56.3Low171 Ų17186.9 Ų86.980%0.79947%0.472SS*.  trans-61.7110.6161.8-71-159.6146.400108.8D190 T194D190-E192 VanDerWaalsContact C-N 3.3Å; D190-E192 PolarHBondContact O-N 2.95Å; E192-T194 PolarHBondContact O-N 3.34Å
193E61.4Low59.4Low141 Ų14184.5 Ų84.566%0.65945%0.453SS*.  trans-62.396.2178.2-74.1-174-174.700110.7S168 L191 Q195S168-E193 WeakPolarHBondContact CB-OE2 3.5Å; S168-E193 PolarHBondContact OG-OE2 3.3Å; L191-E193 PolarHBondContact O-N 2.76Å; L191-E193 VanDerWaalsContact O-N 3.11Å; E193-Q195 PolarHBondContact O-N 2.94Å; E193-Q195 VanDerWaalsContact O-N 3.12Å
194T73.7Confident62.6Low32 Ų3279.2 Ų79.220%0.19642%0.416CS..  trans-62.9116178.957.60000110L169 V172 E192 M293L169-T194 PolarHBondContact N-O 3.26Å; L169-T194 VanDerWaalsContact N-O 3.15Å; V172-T194 HydrophobicContact CG2-CG2 4.2Å; V172-T194 WeakPolarHBondContact CG2-OG1 3.39Å; E192-T194 PolarHBondContact O-N 3.34Å; T194-M293 HydrophobicContact CG2-CE 3.85Å; T194-M293 HydrophobicContact CG2-SD 4.01Å
195Q85.8Confident65.8Low71 Ų7170.6 Ų70.633%0.33238%0.379SS..BIsolated β-bridgetrans-69136.1176.4-63-167.723.200110.1H166 E193 V197 D198 D199H166-Q195 PolarHBondContact ND1-OE1 2.94Å; E193-Q195 PolarHBondContact O-N 2.94Å; E193-Q195 VanDerWaalsContact O-N 3.12Å; Q195-V197 HydrophobicContact CB-CG1 4.26Å; Q195-V197 PolarHBondContact O-N 3.2Å; Q195-D198 PolarHBondContact O-N 3.42Å; Q195-D199 PolarHBondContact O-N 2.69Å
196L89.8Confident68.7Low0 Ų063.9 Ų63.90%035%0.345CS..Hα-helixtrans-55-22.1178.8179.7151.6000112.8L131 Y135 S161 H167 L169 A200L131-L196 HydrophobicContact CD1-CD1 4.14Å; L131-L196 HydrophobicContact CD2-CD1 4.28Å; L131-L196 HydrophobicContact CG-CD1 4.02Å; Y135-L196 HydrophobicContact CD2-CD1 4.04Å; Y135-L196 HydrophobicContact CD2-CD2 4.4Å; Y135-L196 HydrophobicContact CD2-CG 4.03Å; Y135-L196 HydrophobicContact CE2-CD2 4.36Å; Y135-L196 HydrophobicContact CE2-CG 4.03Å; Y135-L196 HydrophobicContact CG-CD1 4.08Å; Y135-L196 HydrophobicContact CG-CG 4.41Å; S161-L196 VanDerWaalsContact CA-CD2 3.49Å; S161-L196 WeakPolarHBondContact OG-CD2 3.45Å; S161-L196 PolarHBondContact OG-O 2.85Å; H167-L196 HydrophobicContact CB-CB 4.22Å; H167-L196 VanDerWaalsContact O-CB 3.26Å; H167-L196 WeakPolarHBondContact O-CB 3.38Å; H167-L196 PolarHBondContact O-N 2.96Å; L169-L196 HydrophobicContact CD2-CB 4.22Å; L169-L196 HydrophobicContact CD2-CD1 3.97Å; L169-L196 HydrophobicContact CD2-CG 4.33Å; L169-L196 HydrophobicContact CG-CB 4.16Å; L196-A200 WeakPolarHBondContact O-CB 3.35Å; L196-A200 PolarHBondContact O-N 3.47Å
197V91.2Very high71.8Confident0 Ų059.4 Ų59.40%031%0.312CS..Hα-helixtrans-77.5-39.5174.776.40000114.5P165 Q195 F201 L226 F229 V230P165-V197 HydrophobicContact CB-CB 3.91Å; P165-V197 HydrophobicContact CB-CG1 4.25Å; P165-V197 HydrophobicContact CB-CG2 4.12Å; P165-V197 WeakPolarHBondContact O-CB 3Å; P165-V197 PolarHBondContact O-N 2.76Å; Q195-V197 HydrophobicContact CB-CG1 4.26Å; Q195-V197 PolarHBondContact O-N 3.2Å; V197-F201 WeakPolarHBondContact O-CB 3.46Å; V197-F201 PolarHBondContact O-N 2.57Å; V197-L226 HydrophobicContact CG2-CD2 4.2Å; V197-F229 HydrophobicContact CG2-CB 3.83Å; V197-V230 HydrophobicContact CG2-CG2 3.85Å
198D87.3Confident74.9Confident27 Ų2752.5 Ų52.514%0.14428%0.276CS..Hα-helixtrans-76.3-43.5-176.6-68.7-64.7000110.9Q195 A200 F201 I202 T231Q195-D198 PolarHBondContact O-N 3.42Å; D198-A200 VanDerWaalsContact C-N 3.29Å; D198-A200 PolarHBondContact O-N 2.97Å; D198-F201 PolarHBondContact O-N 2.58Å; D198-I202 WeakPolarHBondContact O-CD1 3.39Å; D198-I202 WeakPolarHBondContact O-CG1 3.35Å; D198-I202 PolarHBondContact O-N 2.91Å; D198-T231 PolarHBondContact OD1-N 3.33Å; D198-T231 PolarHBondContact OD1-OG1 3.36Å
199D86.7Confident77.9Confident3 Ų350.3 Ų50.32%0.01626%0.261CS..Hα-helixtrans-60.1-39.6172.1173.676.8000111.4Y135 L169 Q195 R203Y135-D199 VanDerWaalsContact CE1-OD2 3.28Å; Y135-D199 WeakPolarHBondContact CE1-OD2 3.49Å; Y135-D199 PolarHBondContact OH-OD2 2.95Å; L169-D199 HydrophobicContact CD1-CB 4.27Å; Q195-D199 PolarHBondContact O-N 2.69Å; D199-R203 VanDerWaalsContact O-CG 3.29Å; D199-R203 WeakPolarHBondContact O-CG 3.42Å; D199-R203 PolarHBondContact O-N 2.74Å; D199-R203 IonicContact OD1-CZ 2.74Å; D199-R203 IonicContact OD1-NE 3.53Å; D199-R203 PolarHBondContact OD1-NE 3.18Å; D199-R203 IonicContact OD1-NH2 2.71Å; D199-R203 PolarHBondContact OD1-NH2 3.37Å; D199-R203 IonicContact OD2-CZ 3.46Å; D199-R203 IonicContact OD2-NE 2.73Å; D199-R203 PolarHBondContact OD2-NE 3.04Å; D199-R203 IonicContact OD2-NH2 3.7Å; D199-R203 PolarHBondContact OD2-NH2 2.98Å
200A91.6Very high81Confident0 Ų045.1 Ų45.10%022%0.224CC..Hα-helixtrans-66.2-42.217500000112.4Y135 L157 S161 L196 D198 R203 V204Y135-A200 HydrophobicContact CE2-CB 4.08Å; Y135-A200 VanDerWaalsContact OH-CA 3.26Å; Y135-A200 WeakPolarHBondContact OH-CA 3.47Å; Y135-A200 WeakPolarHBondContact OH-CB 3.31Å; Y135-A200 PolarHBondContact OH-N 3.41Å; Y135-A200 VanDerWaalsContact OH-N 3.13Å; L157-A200 HydrophobicContact CD2-CB 3.84Å; L157-A200 HydrophobicContact CG-CB 4.2Å; S161-A200 WeakPolarHBondContact OG-CB 3.2Å; L196-A200 WeakPolarHBondContact O-CB 3.35Å; L196-A200 PolarHBondContact O-N 3.47Å; D198-A200 VanDerWaalsContact C-N 3.29Å; D198-A200 PolarHBondContact O-N 2.97Å; A200-R203 PolarHBondContact O-N 3.43Å; A200-V204 WeakPolarHBondContact O-CB 3.31Å; A200-V204 WeakPolarHBondContact O-CG2 3.5Å; A200-V204 PolarHBondContact O-N 3.39Å
201F92Very high83.7Confident0 Ų043.4 Ų43.40%022%0.222CC..Hα-helixtrans-63.2-42.2177.9-178.7-91.5000111.8V197 D198 R203 V204 C205 M223 L226 V230 C234 L235 T238V197-F201 WeakPolarHBondContact O-CB 3.46Å; V197-F201 PolarHBondContact O-N 2.57Å; D198-F201 PolarHBondContact O-N 2.58Å; F201-R203 VanDerWaalsContact C-N 3.34Å; F201-R203 PolarHBondContact O-N 3.22Å; F201-V204 PolarHBondContact O-N 3.13Å; F201-C205 WeakPolarHBondContact CE1-SG 3.27Å; F201-C205 PolarHBondContact O-N 3.34Å; F201-C205 PolarHBondContact O-SG 3.27Å; F201-M223 HydrophobicContact CD2-CG 4.34Å; F201-M223 HydrophobicContact CE2-CB 4.48Å; F201-M223 HydrophobicContact CE2-CG 3.48Å; F201-M223 VanDerWaalsContact CE2-CG 3.48Å; F201-M223 HydrophobicContact CZ-CG 3.9Å; F201-M223 HydrophobicContact CZ-SD 4.43Å; F201-L226 HydrophobicContact CB-CD1 4.36Å; F201-L226 HydrophobicContact CD2-CB 4.05Å; F201-L226 HydrophobicContact CD2-CD1 4.49Å; F201-V230 HydrophobicContact CB-CG1 4.25Å; F201-V230 HydrophobicContact CB-CG2 3.61Å; F201-V230 HydrophobicContact CD1-CG1 3.85Å; F201-V230 HydrophobicContact CD2-CB 4.3Å; F201-V230 HydrophobicContact CD2-CG1 4.1Å; F201-V230 HydrophobicContact CD2-CG2 3.65Å; F201-V230 HydrophobicContact CE1-CG1 4.18Å; F201-V230 HydrophobicContact CE2-CG1 4.38Å; F201-V230 HydrophobicContact CE2-CG2 4.45Å; F201-V230 HydrophobicContact CG-CB 4.35Å; F201-V230 HydrophobicContact CG-CG1 3.8Å; F201-V230 HydrophobicContact CG-CG2 3.71Å; F201-V230 HydrophobicContact CZ-CG1 4.44Å; F201-C234 VanDerWaalsContact CD1-SG 3.55Å; F201-L235 HydrophobicContact CE1-CD2 4.5Å; F201-L235 HydrophobicContact CE2-CD2 3.87Å; F201-L235 HydrophobicContact CZ-CD2 3.67Å; F201-T238 HydrophobicContact CE1-CG2 3.84Å; F201-T238 HydrophobicContact CZ-CG2 3.94Å
202I88.3Confident86.2Confident10 Ų1035.9 Ų35.95%0.05118%0.183CC..Hα-helixtrans-59.6-44.9173.3-68159.8000110.5L177 D198 V204 C205 C206 M293 C297L177-I202 HydrophobicContact CD2-CG2 3.94Å; D198-I202 WeakPolarHBondContact O-CD1 3.39Å; D198-I202 WeakPolarHBondContact O-CG1 3.35Å; D198-I202 PolarHBondContact O-N 2.91Å; I202-V204 VanDerWaalsContact C-N 3.34Å; I202-V204 PolarHBondContact O-N 3.21Å; I202-C205 WeakPolarHBondContact O-CB 3.49Å; I202-C205 PolarHBondContact O-N 3.12Å; I202-C206 PolarHBondContact O-N 2.85Å; I202-C206 PolarHBondContact O-SG 2.91Å; I202-C206 VanDerWaalsContact O-SG 3.35Å; I202-M293 HydrophobicContact CD1-CB 4.15Å; I202-M293 HydrophobicContact CD1-CE 4.22Å; I202-M293 WeakPolarHBondContact CG2-O 3.35Å; I202-C297 HydrophobicContact CG1-CB 4.41Å
203R89.8Confident88.4Confident12 Ų1231.8 Ų31.85%0.04516%0.16CC..Hα-helixtrans-65.5-34.4176.4-69.6171.8-161.8-91.4-3.5113.1C139 L142 P173 F175 D199 A200 F201 C206 R207C139-R203 VanDerWaalsContact SG-CD 3.54Å; L142-R203 HydrophobicContact CD1-CB 3.85Å; P173-R203 PolarHBondContact O-NH1 3.44Å; P173-R203 VanDerWaalsContact O-NH1 3.17Å; P173-R203 PolarHBondContact O-NH2 3.45Å; F175-R203 PolarHBondContact O-NH1 2.93Å; F175-R203 VanDerWaalsContact O-NH1 3.09Å; D199-R203 VanDerWaalsContact O-CG 3.29Å; D199-R203 WeakPolarHBondContact O-CG 3.42Å; D199-R203 PolarHBondContact O-N 2.74Å; D199-R203 IonicContact OD1-CZ 2.74Å; D199-R203 IonicContact OD1-NE 3.53Å; D199-R203 PolarHBondContact OD1-NE 3.18Å; D199-R203 IonicContact OD1-NH2 2.71Å; D199-R203 PolarHBondContact OD1-NH2 3.37Å; D199-R203 IonicContact OD2-CZ 3.46Å; D199-R203 IonicContact OD2-NE 2.73Å; D199-R203 PolarHBondContact OD2-NE 3.04Å; D199-R203 IonicContact OD2-NH2 3.7Å; D199-R203 PolarHBondContact OD2-NH2 2.98Å; A200-R203 PolarHBondContact O-N 3.43Å; F201-R203 VanDerWaalsContact C-N 3.34Å; F201-R203 PolarHBondContact O-N 3.22Å; R203-C206 WeakPolarHBondContact O-CB 3.2Å; R203-C206 PolarHBondContact O-N 3.21Å; R203-R207 PolarHBondContact O-N 2.94Å
204V93.3Very high90Very high0 Ų026.6 Ų26.60%014%0.139CC..Hα-helixtrans-67.3-42.4173170.90000110.6L154 L157 A200 F201 I202 C206 R207 A219 I222 M223 L226L154-V204 HydrophobicContact CD1-CB 4.5Å; L154-V204 HydrophobicContact CD1-CG2 3.78Å; L157-V204 HydrophobicContact CD2-CG2 3.83Å; A200-V204 WeakPolarHBondContact O-CB 3.31Å; A200-V204 WeakPolarHBondContact O-CG2 3.5Å; A200-V204 PolarHBondContact O-N 3.39Å; F201-V204 PolarHBondContact O-N 3.13Å; I202-V204 VanDerWaalsContact C-N 3.34Å; I202-V204 PolarHBondContact O-N 3.21Å; V204-C206 VanDerWaalsContact C-N 3.34Å; V204-C206 PolarHBondContact O-N 3.46Å; V204-R207 PolarHBondContact O-N 3.31Å; V204-A219 HydrophobicContact CG1-CB 4.31Å; V204-A219 WeakPolarHBondContact CG1-O 3.47Å; V204-I222 HydrophobicContact CG1-CB 4.32Å; V204-I222 HydrophobicContact CG1-CG2 4.17Å; V204-I222 HydrophobicContact CG2-CG2 3.76Å; V204-M223 HydrophobicContact CG1-CB 4.02Å; V204-L226 HydrophobicContact CG2-CD1 3.94Å
205C92.5Very high91.1Very high2 Ų225 Ų251%0.01413%0.13CC..Hα-helixtrans-56.5-47.1172-65.50000111.5F201 I202 R207 L208 M223 G296 C297 A300F201-C205 WeakPolarHBondContact CE1-SG 3.27Å; F201-C205 PolarHBondContact O-N 3.34Å; F201-C205 PolarHBondContact O-SG 3.27Å; I202-C205 WeakPolarHBondContact O-CB 3.49Å; I202-C205 PolarHBondContact O-N 3.12Å; C205-R207 PolarHBondContact O-N 2.8Å; C205-L208 WeakPolarHBondContact O-CB 3.47Å; C205-L208 PolarHBondContact O-N 2.87Å; C205-M223 HydrophobicContact CB-CE 4.15Å; C205-M223 WeakPolarHBondContact SG-CE 3.42Å; C205-G296 WeakPolarHBondContact CB-O 3.25Å; C205-C297 HydrophobicContact CB-CB 3.99Å; C205-A300 HydrophobicContact CB-CB 3.68Å
206C89Confident91.5Very high10 Ų1023.5 Ų23.57%0.06812%0.121CC..THydrogen-bonded Turntrans-58.5-12.1174.1-71.40000114.9I202 R203 V204 G296I202-C206 PolarHBondContact O-N 2.85Å; I202-C206 PolarHBondContact O-SG 2.91Å; I202-C206 VanDerWaalsContact O-SG 3.35Å; R203-C206 WeakPolarHBondContact O-CB 3.2Å; R203-C206 PolarHBondContact O-N 3.21Å; V204-C206 VanDerWaalsContact C-N 3.34Å; V204-C206 PolarHBondContact O-N 3.46Å; C206-G296 PolarHBondContact N-O 2.82Å; C206-G296 WeakPolarHBondContact SG-CA 3.05Å; C206-G296 PolarHBondContact SG-O 3.23Å
207R91.8Very high91.9Very high19 Ų1926.7 Ų26.77%0.07214%0.136CC..THydrogen-bonded Turntrans-101.4-2.8175-64.4-5681.8126.64.5113.9L142 L154 N178 R203 V204 C205 Q209 D210 V215 R216 A219L142-R207 HydrophobicContact CD2-CG 4.22Å; L142-R207 PolarHBondContact O-NH1 2.72Å; L154-R207 HydrophobicContact CD1-CB 4.44Å; L154-R207 HydrophobicContact CD1-CG 4.16Å; L154-R207 HydrophobicContact CD2-CB 4.15Å; L154-R207 HydrophobicContact CD2-CG 4.38Å; N178-R207 PolarHBondContact OD1-NH2 3.39Å; N178-R207 VanDerWaalsContact OD1-NH2 3.16Å; R203-R207 PolarHBondContact O-N 2.94Å; V204-R207 PolarHBondContact O-N 3.31Å; C205-R207 PolarHBondContact O-N 2.8Å; R207-Q209 PolarHBondContact O-N 2.93Å; R207-D210 WeakPolarHBondContact O-CB 3.46Å; R207-D210 PolarHBondContact O-N 3.1Å; R207-V215 HydrophobicContact CB-CG1 4.17Å; R207-V215 HydrophobicContact CG-CG1 4.48Å; R207-R216 WeakPolarHBondContact O-CA 3.41Å; R207-A219 HydrophobicContact CB-CB 3.82Å
208L91.4Very high92.1Very high2 Ų228.5 Ų28.51%0.0115%0.145CC..THydrogen-bonded Turntrans-68.1-9.4161.7-72.5-178.3000113C205 R216 A219 A220 M223 A300C205-L208 WeakPolarHBondContact O-CB 3.47Å; C205-L208 PolarHBondContact O-N 2.87Å; L208-R216 WeakPolarHBondContact CD2-O 3.5Å; L208-R216 WeakPolarHBondContact O-CD 3.4Å; L208-A219 HydrophobicContact CD2-CB 4.06Å; L208-A219 HydrophobicContact CG-CB 4.35Å; L208-A220 HydrophobicContact CD2-CB 3.85Å; L208-M223 HydrophobicContact CD1-CE 3.41Å; L208-M223 VanDerWaalsContact CD1-CE 3.41Å; L208-M223 HydrophobicContact CD1-SD 4.16Å; L208-M223 HydrophobicContact CG-CE 4.06Å; L208-A300 HydrophobicContact CD1-CB 4.19Å; L208-A300 WeakPolarHBondContact CD1-O 3.21Å
209Q88.7Confident92.6Very high113 Ų11327.2 Ų27.253%0.52814%0.138SC..THydrogen-bonded Turntrans-113.619.8173.2-63.2178.4-3.400112.6R207 S303R207-Q209 PolarHBondContact O-N 2.93Å; Q209-S303 PolarHBondContact NE2-OG 2.87Å
210D92Very high93Very high6 Ų627.1 Ų27.13%0.03214%0.138CC..  trans-66142.5175.5-165.1-78.5000111.6R150 R207 S212 V215 R216R150-D210 IonicContact CZ-OD1 3.88Å; R150-D210 IonicContact CZ-OD2 3.29Å; R150-D210 IonicContact NE-OD1 3.58Å; R150-D210 PolarHBondContact NE-OD1 3.39Å; R150-D210 IonicContact NE-OD2 3.12Å; R150-D210 PolarHBondContact NE-OD2 3.21Å; R150-D210 IonicContact NH2-OD1 2.66Å; R150-D210 PolarHBondContact NH2-OD1 2.83Å; R150-D210 IonicContact NH2-OD2 2.7Å; R207-D210 WeakPolarHBondContact O-CB 3.46Å; R207-D210 PolarHBondContact O-N 3.1Å; D210-S212 PolarHBondContact O-N 2.77Å; D210-S212 WeakPolarHBondContact OD1-CB 3.45Å; D210-S212 PolarHBondContact OD1-N 3.43Å; D210-V215 HydrophobicContact CB-CB 3.87Å; D210-V215 HydrophobicContact CB-CG1 3.66Å; D210-V215 VanDerWaalsContact CG-CG1 3.48Å; D210-R216 HydrophobicContact CB-CG 4.14Å; D210-R216 VanDerWaalsContact O-CD 3.27Å; D210-R216 WeakPolarHBondContact O-CD 3.15Å; D210-R216 WeakPolarHBondContact O-CG 3.35Å
211P90.5Very high93.2Very high123 Ų12332.9 Ų32.980%0.79917%0.165SC*.SBendtrans-63.7-18.917624.9-35.3000114.2
212S94.5Very high93.4Very high11 Ų1133.2 Ų33.28%0.07717%0.167CC..  trans-87.4121.8167.9166.30000111.7E147 D210 S214 V215 R216E147-S212 PolarHBondContact OE1-OG 2.96Å; D210-S212 PolarHBondContact O-N 2.77Å; D210-S212 WeakPolarHBondContact OD1-CB 3.45Å; D210-S212 PolarHBondContact OD1-N 3.43Å; S212-S214 PolarHBondContact O-N 3.16Å; S212-S214 PolarHBondContact OG-N 3.13Å; S212-S214 PolarHBondContact OG-OG 3.29Å; S212-V215 PolarHBondContact O-N 3.05Å; S212-V215 VanDerWaalsContact O-N 3.13Å; S212-V215 PolarHBondContact OG-N 3.49Å; S212-R216 WeakPolarHBondContact O-CG 3.49Å; S212-R216 PolarHBondContact O-N 2.99Å
213R94.7Very high93.7Very high86 Ų8632.8 Ų32.833%0.32516%0.164SC..Hα-helixtrans-48.6-39.2163.7168.1-174.7151.9154.9-1.7113.4R216 Q217 Y309 E311 I312R213-R216 PolarHBondContact O-N 3.35Å; R213-Q217 WeakPolarHBondContact O-CB 3.07Å; R213-Q217 PolarHBondContact O-N 3.07Å; R213-Y309 HydrophobicContact CB-CD2 4.42Å; R213-Y309 HydrophobicContact CB-CE2 4.5Å; R213-Y309 HydrophobicContact CG-CD2 4.45Å; R213-Y309 HydrophobicContact CG-CG 4.32Å; R213-E311 IonicContact CZ-OE1 2.64Å; R213-E311 IonicContact CZ-OE2 2.78Å; R213-E311 IonicContact NH1-OE1 3.65Å; R213-E311 PolarHBondContact NH1-OE1 3.13Å; R213-E311 IonicContact NH1-OE2 3.19Å; R213-E311 PolarHBondContact NH1-OE2 3.37Å; R213-E311 IonicContact NH2-OE1 2.64Å; R213-E311 PolarHBondContact NH2-OE1 2.87Å; R213-E311 IonicContact NH2-OE2 2.95Å; R213-I312 HydrophobicContact CB-CD1 4.22Å; R213-I312 HydrophobicContact CG-CD1 3.87Å; R213-I312 HydrophobicContact CG-CG1 4.29Å
214S95.7Very high93.9Very high31 Ų3133 Ų3322%0.21717%0.168CC..Hα-helixtrans-75.4-27.8-176.697.70000112.6E147 R151 S212 L218E147-S214 WeakPolarHBondContact OE1-CB 3.19Å; E147-S214 PolarHBondContact OE1-OG 3.37Å; R151-S214 WeakPolarHBondContact CD-OG 3.25Å; S212-S214 PolarHBondContact O-N 3.16Å; S212-S214 PolarHBondContact OG-N 3.13Å; S212-S214 PolarHBondContact OG-OG 3.29Å; S214-L218 WeakPolarHBondContact O-CB 3.28Å; S214-L218 PolarHBondContact O-N 2.8Å
215V95.9Very high93.9Very high0 Ų036.9 Ų36.90%019%0.189CC..Hα-helixtrans-72.9-46.1169.2-179.90000110.5E147 R150 R151 L154 R207 D210 S212 Q217 L218 A219E147-V215 HydrophobicContact CG-CG2 4.18Å; R150-V215 HydrophobicContact CB-CG2 4.35Å; R151-V215 HydrophobicContact CB-CG2 3.96Å; R151-V215 HydrophobicContact CG-CG2 4.43Å; L154-V215 HydrophobicContact CD2-CG1 3.93Å; R207-V215 HydrophobicContact CB-CG1 4.17Å; R207-V215 HydrophobicContact CG-CG1 4.48Å; D210-V215 HydrophobicContact CB-CB 3.87Å; D210-V215 HydrophobicContact CB-CG1 3.66Å; D210-V215 VanDerWaalsContact CG-CG1 3.48Å; S212-V215 PolarHBondContact O-N 3.05Å; S212-V215 VanDerWaalsContact O-N 3.13Å; S212-V215 PolarHBondContact OG-N 3.49Å; V215-Q217 VanDerWaalsContact C-N 3.34Å; V215-Q217 PolarHBondContact O-N 3.2Å; V215-L218 PolarHBondContact O-N 3.26Å; V215-A219 WeakPolarHBondContact O-CB 3.45Å; V215-A219 PolarHBondContact O-N 3.13Å
216R95.7Very high93.9Very high39 Ų3936.8 Ų36.815%0.14719%0.188CC..Hα-helixtrans-55.4-46.8174.6-64.3-160.1-69.2-163.218.9112R207 L208 D210 S212 R213 L218 A219 A220 D307 I312R207-R216 WeakPolarHBondContact O-CA 3.41Å; L208-R216 WeakPolarHBondContact CD2-O 3.5Å; L208-R216 WeakPolarHBondContact O-CD 3.4Å; D210-R216 HydrophobicContact CB-CG 4.14Å; D210-R216 VanDerWaalsContact O-CD 3.27Å; D210-R216 WeakPolarHBondContact O-CD 3.15Å; D210-R216 WeakPolarHBondContact O-CG 3.35Å; S212-R216 WeakPolarHBondContact O-CG 3.49Å; S212-R216 PolarHBondContact O-N 2.99Å; R213-R216 PolarHBondContact O-N 3.35Å; R216-L218 PolarHBondContact O-N 2.94Å; R216-A219 WeakPolarHBondContact O-CB 3.4Å; R216-A219 PolarHBondContact O-N 3.07Å; R216-A220 PolarHBondContact O-N 3.4Å; R216-A220 VanDerWaalsContact O-N 3.12Å; R216-D307 IonicContact CZ-OD1 2.77Å; R216-D307 IonicContact CZ-OD2 3.25Å; R216-D307 IonicContact NE-OD2 3.71Å; R216-D307 PolarHBondContact NE-OD2 2.94Å; R216-D307 IonicContact NH1-OD2 2.77Å; R216-D307 IonicContact NH2-OD1 2.8Å; R216-D307 PolarHBondContact NH2-OD1 3.24Å; R216-D307 IonicContact NH2-OD2 3.66Å; R216-D307 PolarHBondContact NH2-OD2 3.43Å; R216-I312 HydrophobicContact CB-CD1 3.57Å; R216-I312 HydrophobicContact CB-CG1 4.31Å; R216-I312 HydrophobicContact CG-CD1 4.33Å; R216-I312 VanDerWaalsContact NE-CD1 3.33Å
217Q96.5Very high94Very high67 Ų6736.6 Ų36.631%0.31319%0.188SC..Hα-helixtrans-65-37.1179.2-167.5173.11500112.8R213 V215 H221 I312 T315R213-Q217 WeakPolarHBondContact O-CB 3.07Å; R213-Q217 PolarHBondContact O-N 3.07Å; V215-Q217 VanDerWaalsContact C-N 3.34Å; V215-Q217 PolarHBondContact O-N 3.2Å; Q217-H221 PolarHBondContact O-N 3.45Å; Q217-I312 HydrophobicContact CB-CG1 4.34Å; Q217-T315 HydrophobicContact CG-CG2 4Å; Q217-T315 WeakPolarHBondContact CG-OG1 3.14Å; Q217-T315 PolarHBondContact NE2-OG1 2.97Å
218L96.7Very high94Very high37 Ų3743 Ų4319%0.19422%0.216CC..Hα-helixtrans-70.4-37.6174.8179.561.3000112.2R151 L154 H155 S214 V215 R216 H221 I222R151-L218 HydrophobicContact CG-CD2 3.48Å; R151-L218 VanDerWaalsContact CG-CD2 3.48Å; R151-L218 WeakPolarHBondContact O-CD2 3.17Å; L154-L218 HydrophobicContact CD2-CB 4.45Å; L154-L218 HydrophobicContact CD2-CD2 4.32Å; L154-L218 HydrophobicContact CD2-CG 4.24Å; H155-L218 HydrophobicContact CB-CD2 4.29Å; S214-L218 WeakPolarHBondContact O-CB 3.28Å; S214-L218 PolarHBondContact O-N 2.8Å; V215-L218 PolarHBondContact O-N 3.26Å; R216-L218 PolarHBondContact O-N 2.94Å; L218-H221 PolarHBondContact O-N 3Å; L218-H221 VanDerWaalsContact O-N 3.15Å; L218-I222 HydrophobicContact CD1-CD1 3.8Å; L218-I222 HydrophobicContact CD1-CG1 4.12Å; L218-I222 HydrophobicContact CD2-CD1 4.29Å; L218-I222 HydrophobicContact CG-CD1 3.73Å; L218-I222 HydrophobicContact CG-CG1 4.43Å; L218-I222 PolarHBondContact O-N 3.34Å
219A96.4Very high93.9Very high0 Ų045.7 Ų45.70%023%0.228CC..Hα-helixtrans-59.6-45.7176.500000111.5L154 V204 R207 L208 V215 R216 H221 I222 M223L154-A219 HydrophobicContact CD2-CB 4Å; V204-A219 HydrophobicContact CG1-CB 4.31Å; V204-A219 WeakPolarHBondContact CG1-O 3.47Å; R207-A219 HydrophobicContact CB-CB 3.82Å; L208-A219 HydrophobicContact CD2-CB 4.06Å; L208-A219 HydrophobicContact CG-CB 4.35Å; V215-A219 WeakPolarHBondContact O-CB 3.45Å; V215-A219 PolarHBondContact O-N 3.13Å; R216-A219 WeakPolarHBondContact O-CB 3.4Å; R216-A219 PolarHBondContact O-N 3.07Å; A219-H221 VanDerWaalsContact C-N 3.32Å; A219-H221 PolarHBondContact O-N 3.49Å; A219-I222 PolarHBondContact O-N 2.68Å; A219-M223 VanDerWaalsContact O-CB 3.32Å; A219-M223 WeakPolarHBondContact O-CB 3.27Å; A219-M223 PolarHBondContact O-N 2.65Å
220A96Very high93.9Very high1 Ų140.9 Ų40.91%0.00821%0.206CC..Hα-helixtrans-55.8-46.1172.300000111.8L208 R216 I222 M223 A224 T315 T319L208-A220 HydrophobicContact CD2-CB 3.85Å; R216-A220 PolarHBondContact O-N 3.4Å; R216-A220 VanDerWaalsContact O-N 3.12Å; A220-I222 PolarHBondContact O-N 3.44Å; A220-M223 WeakPolarHBondContact O-CB 3.16Å; A220-M223 PolarHBondContact O-N 3.39Å; A220-A224 PolarHBondContact O-N 3.28Å; A220-T315 HydrophobicContact CB-CG2 3.83Å; A220-T319 WeakPolarHBondContact O-CG2 3.29Å; A220-T319 PolarHBondContact O-OG1 3Å
221H95.9Very high93.6Very high121 Ų12144 Ų4456%0.5623%0.225SC*.Hα-helixtrans-64.4-41.8-178.9-138.180.1000113.1Q217 L218 A219 A224 D225Q217-H221 PolarHBondContact O-N 3.45Å; L218-H221 PolarHBondContact O-N 3Å; L218-H221 VanDerWaalsContact O-N 3.15Å; A219-H221 VanDerWaalsContact C-N 3.32Å; A219-H221 PolarHBondContact O-N 3.49Å; H221-A224 WeakPolarHBondContact O-CB 3.41Å; H221-A224 PolarHBondContact O-N 3.39Å; H221-D225 PolarHBondContact O-N 2.82Å
222I95.8Very high93.3Very high8 Ų841.4 Ų41.44%0.04120%0.203CC..Hα-helixtrans-71.5-33.9178.4-70.1168.2000111.2L154 H155 V204 L218 A219 A220 A224 D225 L226L154-I222 HydrophobicContact CG-CD1 3.95Å; L154-I222 WeakPolarHBondContact O-CD1 3.38Å; H155-I222 HydrophobicContact CB-CD1 4.48Å; V204-I222 HydrophobicContact CG1-CB 4.32Å; V204-I222 HydrophobicContact CG1-CG2 4.17Å; V204-I222 HydrophobicContact CG2-CG2 3.76Å; L218-I222 HydrophobicContact CD1-CD1 3.8Å; L218-I222 HydrophobicContact CD1-CG1 4.12Å; L218-I222 HydrophobicContact CD2-CD1 4.29Å; L218-I222 HydrophobicContact CG-CD1 3.73Å; L218-I222 HydrophobicContact CG-CG1 4.43Å; L218-I222 PolarHBondContact O-N 3.34Å; A219-I222 PolarHBondContact O-N 2.68Å; A220-I222 PolarHBondContact O-N 3.44Å; I222-A224 PolarHBondContact O-N 2.79Å; I222-D225 PolarHBondContact O-N 3.18Å; I222-D225 VanDerWaalsContact O-N 3.13Å; I222-L226 HydrophobicContact CG2-CD1 3.91Å; I222-L226 HydrophobicContact CG2-CG 4.12Å; I222-L226 WeakPolarHBondContact O-CG 3.15Å; I222-L226 PolarHBondContact O-N 2.64Å
223M94.8Very high92.8Very high1 Ų145.9 Ų45.91%0.00523%0.226CC..Hα-helixtrans-56.7-37.8172.8-176180-68.200111.7F201 V204 C205 L208 A219 A220 A227 I301 T319 I323F201-M223 HydrophobicContact CD2-CG 4.34Å; F201-M223 HydrophobicContact CE2-CB 4.48Å; F201-M223 HydrophobicContact CE2-CG 3.48Å; F201-M223 VanDerWaalsContact CE2-CG 3.48Å; F201-M223 HydrophobicContact CZ-CG 3.9Å; F201-M223 HydrophobicContact CZ-SD 4.43Å; V204-M223 HydrophobicContact CG1-CB 4.02Å; C205-M223 HydrophobicContact CB-CE 4.15Å; C205-M223 WeakPolarHBondContact SG-CE 3.42Å; L208-M223 HydrophobicContact CD1-CE 3.41Å; L208-M223 VanDerWaalsContact CD1-CE 3.41Å; L208-M223 HydrophobicContact CD1-SD 4.16Å; L208-M223 HydrophobicContact CG-CE 4.06Å; A219-M223 VanDerWaalsContact O-CB 3.32Å; A219-M223 WeakPolarHBondContact O-CB 3.27Å; A219-M223 PolarHBondContact O-N 2.65Å; A220-M223 WeakPolarHBondContact O-CB 3.16Å; A220-M223 PolarHBondContact O-N 3.39Å; M223-A227 VanDerWaalsContact O-CB 3.32Å; M223-A227 WeakPolarHBondContact O-CB 3.48Å; M223-A227 PolarHBondContact O-N 2.85Å; M223-A227 VanDerWaalsContact O-N 3.1Å; M223-I301 HydrophobicContact SD-CD1 3.88Å; M223-I301 HydrophobicContact SD-CG1 3.66Å; M223-T319 HydrophobicContact CB-CG2 4.06Å; M223-T319 HydrophobicContact CG-CG2 4.04Å; M223-T319 HydrophobicContact SD-CG2 4.17Å; M223-I323 HydrophobicContact CG-CD1 4.49Å
224A93.5Very high92.2Very high15 Ų1542.2 Ų42.212%0.12421%0.213CC..Hα-helixtrans-65.5-46.7173.500000112.6A220 H221 I222 L226 A227 T319 H322A220-A224 PolarHBondContact O-N 3.28Å; H221-A224 WeakPolarHBondContact O-CB 3.41Å; H221-A224 PolarHBondContact O-N 3.39Å; I222-A224 PolarHBondContact O-N 2.79Å; A224-L226 VanDerWaalsContact C-N 3.3Å; A224-L226 PolarHBondContact O-N 3.23Å; A224-A227 PolarHBondContact O-N 2.96Å; A224-T319 HydrophobicContact CB-CG2 4.05Å; A224-H322 HydrophobicContact CB-CB 4.35Å; A224-H322 PolarHBondContact O-CD2 2.86Å
225D93.2Very high92Very high82 Ų8241 Ų4144%0.43920%0.204SC..Hα-helixtrans-61-35.7178.6-101.17.9000112.3T162 H221 I222T162-D225 HydrophobicContact CG2-CB 4.23Å; H221-D225 PolarHBondContact O-N 2.82Å; I222-D225 PolarHBondContact O-N 3.18Å; I222-D225 VanDerWaalsContact O-N 3.13Å
226L93.2Very high91.6Very high0 Ų041.6 Ų41.60%021%0.207CC..Hα-helixtrans-80.2-30.1179.6-65.5179.2000113.7T162 V197 F201 V204 I222 A224 K228 F229 V230T162-L226 HydrophobicContact CG2-CD2 3.87Å; V197-L226 HydrophobicContact CG2-CD2 4.2Å; F201-L226 HydrophobicContact CB-CD1 4.36Å; F201-L226 HydrophobicContact CD2-CB 4.05Å; F201-L226 HydrophobicContact CD2-CD1 4.49Å; V204-L226 HydrophobicContact CG2-CD1 3.94Å; I222-L226 HydrophobicContact CG2-CD1 3.91Å; I222-L226 HydrophobicContact CG2-CG 4.12Å; I222-L226 WeakPolarHBondContact O-CG 3.15Å; I222-L226 PolarHBondContact O-N 2.64Å; A224-L226 VanDerWaalsContact C-N 3.3Å; A224-L226 PolarHBondContact O-N 3.23Å; L226-K228 PolarHBondContact O-N 3.39Å; L226-F229 PolarHBondContact O-N 2.87Å; L226-V230 HydrophobicContact CB-CG2 4.19Å; L226-V230 WeakPolarHBondContact O-CG2 3.47Å; L226-V230 PolarHBondContact O-N 3.5Å
227A91.6Very high91.2Very high6 Ų642 Ų425%0.0521%0.211CC..THydrogen-bonded Turntrans-62.8-10.3-171.100000116.1M223 A224 F229 L235 I323M223-A227 VanDerWaalsContact O-CB 3.32Å; M223-A227 WeakPolarHBondContact O-CB 3.48Å; M223-A227 PolarHBondContact O-N 2.85Å; M223-A227 VanDerWaalsContact O-N 3.1Å; A224-A227 PolarHBondContact O-N 2.96Å; A227-F229 VanDerWaalsContact C-N 3.32Å; A227-L235 HydrophobicContact CB-CD2 3.67Å; A227-I323 HydrophobicContact CB-CD1 4.16Å; A227-I323 HydrophobicContact CB-CG1 3.63Å; A227-I323 HydrophobicContact CB-CG2 4.47Å
228K90.8Very high90.9Very high153 Ų15338.8 Ų38.867%0.66520%0.196SC*.THydrogen-bonded Turntrans-70.1-28.4169.1-178-174.8171.6-163.50112.9L226 L326L226-K228 PolarHBondContact O-N 3.39Å; K228-L326 HydrophobicContact CB-CD1 4.25Å
229F90.5Very high90.5Very high60 Ų6037.9 Ų37.926%0.26319%0.191SC..THydrogen-bonded Turntrans-110.3-22.2-166.9-56.7-80.3000113.5T162 P165 V197 L226 A227T162-F229 HydrophobicContact CG2-CE2 4.42Å; P165-F229 HydrophobicContact CB-CB 3.98Å; P165-F229 HydrophobicContact CB-CD1 4.01Å; P165-F229 HydrophobicContact CB-CG 4.08Å; P165-F229 HydrophobicContact CG-CD1 3.77Å; P165-F229 HydrophobicContact CG-CE1 4.11Å; P165-F229 HydrophobicContact CG-CG 4.32Å; V197-F229 HydrophobicContact CG2-CB 3.83Å; L226-F229 PolarHBondContact O-N 2.87Å; A227-F229 VanDerWaalsContact C-N 3.32Å
230V88.2Confident89.8Confident12 Ų1243 Ų437%0.07322%0.215CC..SBendtrans-76.7150.6-177.3170.70000111.6V197 F201 L226 C234 L235V197-V230 HydrophobicContact CG2-CG2 3.85Å; F201-V230 HydrophobicContact CB-CG1 4.25Å; F201-V230 HydrophobicContact CB-CG2 3.61Å; F201-V230 HydrophobicContact CD1-CG1 3.85Å; F201-V230 HydrophobicContact CD2-CB 4.3Å; F201-V230 HydrophobicContact CD2-CG1 4.1Å; F201-V230 HydrophobicContact CD2-CG2 3.65Å; F201-V230 HydrophobicContact CE1-CG1 4.18Å; F201-V230 HydrophobicContact CE2-CG1 4.38Å; F201-V230 HydrophobicContact CE2-CG2 4.45Å; F201-V230 HydrophobicContact CG-CB 4.35Å; F201-V230 HydrophobicContact CG-CG1 3.8Å; F201-V230 HydrophobicContact CG-CG2 3.71Å; F201-V230 HydrophobicContact CZ-CG1 4.44Å; L226-V230 HydrophobicContact CB-CG2 4.19Å; L226-V230 WeakPolarHBondContact O-CG2 3.47Å; L226-V230 PolarHBondContact O-N 3.5Å; V230-C234 HydrophobicContact CG1-CB 3.84Å; V230-L235 HydrophobicContact CB-CD2 4.48Å; V230-L235 HydrophobicContact CG1-CD2 4.23Å; V230-L235 HydrophobicContact CG1-CG 4.27Å
231T84.6Confident88.4Confident71 Ų7149.1 Ų49.144%0.43624%0.241SC..  trans-63.1143.5179.1580000113.6D198 N233 C234 L235D198-T231 PolarHBondContact OD1-N 3.33Å; D198-T231 PolarHBondContact OD1-OG1 3.36Å; T231-N233 PolarHBondContact O-N 3.39Å; T231-C234 PolarHBondContact O-N 3.17Å; T231-C234 VanDerWaalsContact O-N 3.15Å; T231-C234 WeakPolarHBondContact OG1-CB 3.27Å; T231-L235 PolarHBondContact O-N 3.43Å
232E86.1Confident86.3Confident69 Ų6946.9 Ų46.932%0.32224%0.236SC..Hα-helixtrans-54.5-39.6179169.4170.3-99.500112.4C234 L235 L236 N327 R329E232-C234 PolarHBondContact O-N 2.65Å; E232-L235 WeakPolarHBondContact O-CB 3.37Å; E232-L235 PolarHBondContact O-N 3.04Å; E232-L236 HydrophobicContact CG-CD1 3.88Å; E232-L236 HydrophobicContact CG-CG 4.22Å; E232-L236 WeakPolarHBondContact O-CG 3.36Å; E232-L236 PolarHBondContact O-N 2.85Å; E232-N327 PolarHBondContact OE1-ND2 3.47Å; E232-N327 PolarHBondContact OE1-OD1 3.48Å; E232-R329 WeakPolarHBondContact OE2-CD 3.19Å; E232-R329 IonicContact OE2-CZ 3.28Å; E232-R329 IonicContact OE2-NH1 2.72Å; E232-R329 PolarHBondContact OE2-NH1 3.09Å
233N82.7Confident83.4Confident105 Ų10552.8 Ų52.856%0.56127%0.272SS*.Hα-helixtrans-64.3-41.8-178.9-65.7-19.8000111.7T231 L235 L236 Q237T231-N233 PolarHBondContact O-N 3.39Å; N233-L235 VanDerWaalsContact C-N 3.33Å; N233-L235 PolarHBondContact O-N 2.72Å; N233-L236 PolarHBondContact O-N 3.24Å; N233-Q237 WeakPolarHBondContact O-CG 3.36Å; N233-Q237 PolarHBondContact O-N 2.87Å
234C83.2Confident80.7Confident8 Ų859.8 Ų59.85%0.05431%0.307CS..Hα-helixtrans-67.9-33.9178.2-161.20000111.8F201 V230 T231 E232F201-C234 VanDerWaalsContact CD1-SG 3.55Å; V230-C234 HydrophobicContact CG1-CB 3.84Å; T231-C234 PolarHBondContact O-N 3.17Å; T231-C234 VanDerWaalsContact O-N 3.15Å; T231-C234 WeakPolarHBondContact OG1-CB 3.27Å; E232-C234 PolarHBondContact O-N 2.65Å
235L90Very high77.9Confident6 Ų662.3 Ų62.33%0.03132%0.324CS..Hα-helixtrans-63.3-46.1169.6-63.3174.5000111.8F201 A227 V230 T231 E232 N233 Q237 T238 I323 F330F201-L235 HydrophobicContact CE1-CD2 4.5Å; F201-L235 HydrophobicContact CE2-CD2 3.87Å; F201-L235 HydrophobicContact CZ-CD2 3.67Å; A227-L235 HydrophobicContact CB-CD2 3.67Å; V230-L235 HydrophobicContact CB-CD2 4.48Å; V230-L235 HydrophobicContact CG1-CD2 4.23Å; V230-L235 HydrophobicContact CG1-CG 4.27Å; T231-L235 PolarHBondContact O-N 3.43Å; E232-L235 WeakPolarHBondContact O-CB 3.37Å; E232-L235 PolarHBondContact O-N 3.04Å; N233-L235 VanDerWaalsContact C-N 3.33Å; N233-L235 PolarHBondContact O-N 2.72Å; L235-Q237 PolarHBondContact O-N 3.28Å; L235-T238 PolarHBondContact O-N 2.85Å; L235-T238 PolarHBondContact O-OG1 3.46Å; L235-I323 HydrophobicContact CD1-CG2 4.07Å; L235-I323 HydrophobicContact CD2-CD1 4.46Å; L235-I323 HydrophobicContact CD2-CG2 4.13Å; L235-I323 HydrophobicContact CG-CG2 4.49Å; L235-F330 HydrophobicContact CB-CD2 4.08Å; L235-F330 WeakPolarHBondContact O-CE2 3.34Å
236L89Confident75.2Confident13 Ų1361.9 Ų61.97%0.06832%0.321CS..Hα-helixtrans-65.9-36.3-178.8-69.7176000112.8E232 N233 T238 L239 E240 R329 F330 N333E232-L236 HydrophobicContact CG-CD1 3.88Å; E232-L236 HydrophobicContact CG-CG 4.22Å; E232-L236 WeakPolarHBondContact O-CG 3.36Å; E232-L236 PolarHBondContact O-N 2.85Å; N233-L236 PolarHBondContact O-N 3.24Å; L236-T238 PolarHBondContact O-N 3.35Å; L236-L239 WeakPolarHBondContact O-CB 3.38Å; L236-L239 PolarHBondContact O-N 3.39Å; L236-E240 PolarHBondContact O-N 3.19Å; L236-R329 HydrophobicContact CD1-CG 4.23Å; L236-R329 HydrophobicContact CD2-CG 4.47Å; L236-F330 HydrophobicContact CD2-CB 4.13Å; L236-F330 HydrophobicContact CD2-CD2 4.43Å; L236-N333 HydrophobicContact CD2-CB 4.37Å
237Q86.5Confident72.6Confident47 Ų4768.4 Ų68.422%0.2235%0.346CS..Hα-helixtrans-54.5-35.5174.4-82.7170.2-24.800112.9N233 L235 L239 E240 C297 N298 G299N233-Q237 WeakPolarHBondContact O-CG 3.36Å; N233-Q237 PolarHBondContact O-N 2.87Å; L235-Q237 PolarHBondContact O-N 3.28Å; Q237-L239 PolarHBondContact O-N 3.15Å; Q237-L239 VanDerWaalsContact O-N 3.14Å; Q237-E240 PolarHBondContact O-N 3.29Å; Q237-C297 PolarHBondContact OE1-SG 3.31Å; Q237-C297 VanDerWaalsContact OE1-SG 3.38Å; Q237-N298 WeakPolarHBondContact CB-OD1 3.21Å; Q237-N298 WeakPolarHBondContact CG-OD1 3.37Å; Q237-N298 WeakPolarHBondContact O-CA 3.45Å; Q237-G299 PolarHBondContact O-N 3.34Å
238T89.8Confident70.2Confident0 Ų074.1 Ų74.10%037%0.372CS..THydrogen-bonded Turntrans-63.4-20176.471.10000114.5F201 L235 L236 C297 G299 A300 I301F201-T238 HydrophobicContact CE1-CG2 3.84Å; F201-T238 HydrophobicContact CZ-CG2 3.94Å; L235-T238 PolarHBondContact O-N 2.85Å; L235-T238 PolarHBondContact O-OG1 3.46Å; L236-T238 PolarHBondContact O-N 3.35Å; T238-C297 VanDerWaalsContact CA-O 3.31Å; T238-C297 WeakPolarHBondContact CA-O 3.31Å; T238-C297 HydrophobicContact CG2-CB 4.36Å; T238-G299 CarbonylContact O-C 3.59Å; T238-G299 WeakPolarHBondContact O-CA 3.45Å; T238-A300 HydrophobicContact CG2-CB 4.45Å; T238-A300 PolarHBondContact O-N 2.95Å; T238-I301 WeakPolarHBondContact O-CB 3.48Å; T238-I301 PolarHBondContact O-N 3.36Å; T238-I301 VanDerWaalsContact OG1-CD1 3.28Å; T238-I301 WeakPolarHBondContact OG1-CD1 3.19Å
239L88.2Confident67.7Low18 Ų1870.8 Ų70.89%0.09436%0.364CS..THydrogen-bonded Turntrans-96.3-5.4175.9-57.8177.3000113.4L236 Q237 K241 I301 I302 F330 N333 C334 L337L236-L239 WeakPolarHBondContact O-CB 3.38Å; L236-L239 PolarHBondContact O-N 3.39Å; Q237-L239 PolarHBondContact O-N 3.15Å; Q237-L239 VanDerWaalsContact O-N 3.14Å; L239-K241 PolarHBondContact O-N 2.91Å; L239-I301 HydrophobicContact CD2-CB 4.34Å; L239-I301 HydrophobicContact CD2-CG2 3.81Å; L239-I302 WeakPolarHBondContact O-CD1 3.42Å; L239-F330 HydrophobicContact CD1-CD1 4.28Å; L239-F330 HydrophobicContact CD1-CD2 3.5Å; L239-F330 HydrophobicContact CD1-CE1 4.29Å; L239-F330 HydrophobicContact CD1-CE2 3.51Å; L239-F330 HydrophobicContact CD1-CG 3.91Å; L239-F330 HydrophobicContact CD1-CZ 3.92Å; L239-F330 HydrophobicContact CD2-CE2 3.89Å; L239-F330 HydrophobicContact CD2-CZ 3.78Å; L239-F330 HydrophobicContact CG-CD2 4.03Å; L239-F330 HydrophobicContact CG-CE2 3.56Å; L239-F330 HydrophobicContact CG-CZ 3.98Å; L239-N333 HydrophobicContact CD1-CB 3.92Å; L239-C334 HydrophobicContact CD1-CB 3.74Å; L239-C334 HydrophobicContact CD2-CB 3.8Å; L239-C334 HydrophobicContact CG-CB 4.44Å; L239-L337 HydrophobicContact CD2-CD1 4.19Å
240E81.8Confident65.1Low107 Ų10774.7 Ų74.750%0.538%0.377SS..  trans-74112.7177.7-68.4-168.5170.200109.3L236 Q237 T242 G299L236-E240 PolarHBondContact O-N 3.19Å; Q237-E240 PolarHBondContact O-N 3.29Å; E240-T242 PolarHBondContact O-N 3.31Å; E240-G299 WeakPolarHBondContact O-CA 3.36Å; E240-G299 PolarHBondContact O-N 3.28Å
241K66.9Low62.8Low130 Ų13078.5 Ų78.557%0.56539%0.39SS*.  trans-71.883.1170.8-162.7152.8-172.6163.10108.4L239 V243 I302 E306L239-K241 PolarHBondContact O-N 2.91Å; K241-V243 PolarHBondContact O-N 3.1Å; K241-I302 HydrophobicContact CB-CD1 3.54Å; K241-I302 HydrophobicContact CD-CD1 4.31Å; K241-I302 HydrophobicContact CD-CG2 4.37Å; K241-I302 HydrophobicContact CG-CD1 4.05Å; K241-E306 IonicContact NZ-OE1 3.81Å; K241-E306 PolarHBondContact NZ-OE1 2.69Å; K241-E306 IonicContact NZ-OE2 3.46Å
242T52.1Low60.6Low73 Ų7378.3 Ų78.345%0.44839%0.392SS..  trans-49.5116.2162.152.10000106.5E240 M244 N298E240-T242 PolarHBondContact O-N 3.31Å; T242-M244 PolarHBondContact O-N 2.82Å; T242-N298 HydrophobicContact CG2-CB 3.84Å
243V34.4Very low58.3Low132 Ų13281 Ų8180%0.841%0.406SS*.  trans-54.6115.6163.1175.50000104.2K241 S245K241-V243 PolarHBondContact O-N 3.1Å; V243-S245 PolarHBondContact O-N 3.32Å
244M37.8Very low56.6Low149 Ų14980.1 Ų80.173%0.73440%0.4SS*.  trans-62.786.5174.4-79.6-178.46700106.9T242 D246T242-M244 PolarHBondContact O-N 2.82Å; M244-D246 PolarHBondContact O-N 3.12Å
245S35.1Very low54.5Low68 Ų6884.9 Ų84.948%0.47642%0.422SS..  trans-58132.5174.374.40000105.4V243 R247V243-S245 PolarHBondContact O-N 3.32Å; S245-R247 PolarHBondContact O-N 2.92Å
246D37.7Very low52.5Low73 Ų7388.8 Ų88.839%0.3945%0.449SS..THydrogen-bonded Turntrans-62.24-166.5-143.7-10.1000113M244 Q248 V249 R250M244-D246 PolarHBondContact O-N 3.12Å; D246-Q248 PolarHBondContact O-N 3.29Å; D246-V249 PolarHBondContact O-N 2.75Å; D246-R250 HydrophobicContact CB-CG 4.05Å; D246-R250 WeakPolarHBondContact O-CA 3.48Å; D246-R250 WeakPolarHBondContact O-CB 3.29Å; D246-R250 VanDerWaalsContact O-CG 3.27Å; D246-R250 WeakPolarHBondContact O-CG 3.44Å; D246-R250 PolarHBondContact O-N 3.29Å; D246-R250 IonicContact OD2-CZ 3.25Å; D246-R250 IonicContact OD2-NE 3.5Å; D246-R250 PolarHBondContact OD2-NE 2.96Å; D246-R250 IonicContact OD2-NH2 2.75Å; D246-R250 PolarHBondContact OD2-NH2 3Å
247R36.7Very low50.1Low137 Ų13792.7 Ų92.752%0.51747%0.47SS..Hα-helixtrans-52.2-40.5178.9-68.6-177.1174.1-172.30.6113.5S245 R251 D535S245-R247 PolarHBondContact O-N 2.92Å; R247-R251 WeakPolarHBondContact O-CA 3.19Å; R247-R251 WeakPolarHBondContact O-CB 3.4Å; R247-R251 WeakPolarHBondContact O-CG 3.32Å; R247-R251 PolarHBondContact O-N 2.79Å; R247-D535 IonicContact NH1-OD2 3.14Å; R247-D535 PolarHBondContact NH1-OD2 2.95Å
248Q41.5Very low47.9Very low125 Ų12595.9 Ų95.958%0.58449%0.489SS*.Hα-helixtrans-71.3-45.1-179.9-78.5-177.2-16.400112.6D246D246-Q248 PolarHBondContact O-N 3.29Å
249V38.9Very low45.6Very low83 Ų83104.9 Ų104.950%0.50353%0.528SS..Hα-helixtrans-73.5-40.9178.1-175.80000110.9D246 S252 M253D246-V249 PolarHBondContact O-N 2.75Å; V249-S252 PolarHBondContact O-OG 3.44Å; V249-M253 PolarHBondContact O-N 3.27Å
250R36.8Very low43.4Very low142 Ų142107.7 Ų107.754%0.53655%0.549SS..Hα-helixtrans-72.5-31.4176.6-65.1-172.9-165.3174.813.8113.5D246 S252 M253 I254D246-R250 HydrophobicContact CB-CG 4.05Å; D246-R250 WeakPolarHBondContact O-CA 3.48Å; D246-R250 WeakPolarHBondContact O-CB 3.29Å; D246-R250 VanDerWaalsContact O-CG 3.27Å; D246-R250 WeakPolarHBondContact O-CG 3.44Å; D246-R250 PolarHBondContact O-N 3.29Å; D246-R250 IonicContact OD2-CZ 3.25Å; D246-R250 IonicContact OD2-NE 3.5Å; D246-R250 PolarHBondContact OD2-NE 2.96Å; D246-R250 IonicContact OD2-NH2 2.75Å; D246-R250 PolarHBondContact OD2-NH2 3Å; R250-S252 VanDerWaalsContact C-N 3.35Å; R250-S252 PolarHBondContact O-N 2.98Å; R250-M253 PolarHBondContact O-N 3.18Å; R250-I254 HydrophobicContact CB-CD1 4.04Å; R250-I254 WeakPolarHBondContact O-CB 3.39Å; R250-I254 WeakPolarHBondContact O-CD1 3.41Å; R250-I254 WeakPolarHBondContact O-CG1 3.31Å; R250-I254 PolarHBondContact O-N 3.02Å
251R38.3Very low41.1Very low92 Ų92109.6 Ų109.635%0.34756%0.556SS.*Hα-helixtrans-60.6-44.4174.5-84.6177.6167.6167.1-0.4110.1R247 M253 I254 E255 D536 D537R247-R251 WeakPolarHBondContact O-CA 3.19Å; R247-R251 WeakPolarHBondContact O-CB 3.4Å; R247-R251 WeakPolarHBondContact O-CG 3.32Å; R247-R251 PolarHBondContact O-N 2.79Å; R251-M253 PolarHBondContact O-N 2.68Å; R251-I254 PolarHBondContact O-N 2.81Å; R251-E255 WeakPolarHBondContact O-CB 3.43Å; R251-E255 WeakPolarHBondContact O-CG 3.32Å; R251-E255 PolarHBondContact O-N 3.44Å; R251-D536 IonicContact CZ-OD2 2.69Å; R251-D536 IonicContact NH1-OD2 2.91Å; R251-D536 PolarHBondContact NH1-OD2 3.4Å; R251-D536 IonicContact NH2-OD2 3.76Å; R251-D536 PolarHBondContact NH2-OD2 2.79Å; R251-D537 IonicContact CZ-OD2 3.53Å; R251-D537 IonicContact NH1-OD2 3.37Å
252S38.7Very low39.7Very low68 Ų68110.9 Ų110.948%0.47657%0.569SS.*Hα-helixtrans-65.7-35.7177.771.40000113.9V249 R250 S256V249-S252 PolarHBondContact O-OG 3.44Å; R250-S252 VanDerWaalsContact C-N 3.35Å; R250-S252 PolarHBondContact O-N 2.98Å; S252-S256 PolarHBondContact O-N 3.49Å; S252-S256 PolarHBondContact O-OG 3.09Å
253M37.8Very low38.7Very low126 Ų126117.1 Ų117.162%0.62159%0.59SS**Hα-helixtrans-71.7-40.7172.7-64.4-172.778.300112.6V249 R250 R251 S256 D257V249-M253 PolarHBondContact O-N 3.27Å; R250-M253 PolarHBondContact O-N 3.18Å; R251-M253 PolarHBondContact O-N 2.68Å; M253-S256 WeakPolarHBondContact O-CB 3.47Å; M253-S256 PolarHBondContact O-N 2.84Å; M253-D257 PolarHBondContact O-N 3.48Å
254I47.1Very low38.7Very low85 Ų85119.6 Ų119.644%0.43659%0.59SS.*Hα-helixtrans-73-33.3-178.6-69.5167.6000111.6R250 R251 S256 D257 N258R250-I254 HydrophobicContact CB-CD1 4.04Å; R250-I254 WeakPolarHBondContact O-CB 3.39Å; R250-I254 WeakPolarHBondContact O-CD1 3.41Å; R250-I254 WeakPolarHBondContact O-CG1 3.31Å; R250-I254 PolarHBondContact O-N 3.02Å; R251-I254 PolarHBondContact O-N 2.81Å; I254-S256 PolarHBondContact O-N 2.98Å; I254-D257 PolarHBondContact O-N 3.24Å; I254-N258 WeakPolarHBondContact CG2-ND2 3.15Å; I254-N258 VanDerWaalsContact O-CB 3.27Å; I254-N258 WeakPolarHBondContact O-CB 3.45Å; I254-N258 PolarHBondContact O-N 3.14Å; I254-N258 PolarHBondContact O-ND2 3.37Å
255E40.1Very low38.5Very low109 Ų109119.5 Ų119.551%0.50959%0.592SS.*Hα-helixtrans-66.7-26.9169.7-76.8-168.2103.500113.1R251R251-E255 WeakPolarHBondContact O-CB 3.43Å; R251-E255 WeakPolarHBondContact O-CG 3.32Å; R251-E255 PolarHBondContact O-N 3.44Å
256S46.6Very low38.3Very low87 Ų87125.9 Ų125.961%0.60861%0.611SS**Hα-helixtrans-75.1-44.6172.4-62.50000110.9S252 M253 I254S252-S256 PolarHBondContact O-N 3.49Å; S252-S256 PolarHBondContact O-OG 3.09Å; M253-S256 WeakPolarHBondContact O-CB 3.47Å; M253-S256 PolarHBondContact O-N 2.84Å; I254-S256 PolarHBondContact O-N 2.98Å
257D39.7Very low37.9Very low96 Ų96126.7 Ų126.751%0.51362%0.623SS.*Hα-helixtrans-71.5-39.2-179.5-110.3-26.5000113.6M253 I254 K259 S260M253-D257 PolarHBondContact O-N 3.48Å; I254-D257 PolarHBondContact O-N 3.24Å; D257-K259 PolarHBondContact O-N 2.95Å; D257-S260 WeakPolarHBondContact O-CB 3.47Å; D257-S260 PolarHBondContact O-N 3.29Å; D257-S260 PolarHBondContact O-OG 3.22Å
258N40.6Very low37.7Very low113 Ų113126.6 Ų126.660%0.60463%0.632SS**G310 helixtrans-66.2-20.5-175.5-81.8-19.9000113.8I254 S260I254-N258 WeakPolarHBondContact CG2-ND2 3.15Å; I254-N258 VanDerWaalsContact O-CB 3.27Å; I254-N258 WeakPolarHBondContact O-CB 3.45Å; I254-N258 PolarHBondContact O-N 3.14Å; I254-N258 PolarHBondContact O-ND2 3.37Å; N258-S260 PolarHBondContact O-N 3.23Å
259K41.6Very low37.2Very low190 Ų190126.8 Ų126.883%0.82664%0.638SS**G310 helixtrans-67.8-11.5171.3-73172.3-179.1165.60113.4D257D257-K259 PolarHBondContact O-N 2.95Å
260S40.3Very low36.8Very low77 Ų77128.9 Ų128.954%0.53865%0.646SS.*G310 helixtrans-93.5-20.1-179.272.90000115.4D257 N258D257-S260 WeakPolarHBondContact O-CB 3.47Å; D257-S260 PolarHBondContact O-N 3.29Å; D257-S260 PolarHBondContact O-OG 3.22Å; N258-S260 PolarHBondContact O-N 3.23Å
261K34.3Very low36.5Very low146 Ų146129.3 Ų129.364%0.63566%0.659SS**  trans-139.270.6-163.4-70.9162.2-167.7156.10114.2
262N38.3Very low36.1Very low158 Ų158132.2 Ų132.285%0.84568%0.681SS**  trans-158.288.9149.3-109.4-32.3000115
263K31.4Very low35.6Very low203 Ų203140 Ų14088%0.88370%0.7SS**  trans-12792.1158-89.1-174.9174.6175.40109
264K34.2Very low35.3Very low185 Ų185139.8 Ų139.880%0.80471%0.71SS**  trans166.5136.8145.2-92.3156.7-173.7-178.80114.7
265N34Very low34.4Very low147 Ų147142.4 Ų142.479%0.78673%0.73SS**  trans69.280.5139.4-57.48.6000122.8
266K30.1Very low33.8Very low202 Ų202145.1 Ų145.188%0.87875%0.745SS**  16.3126.6112.3-164.1175.3-172.1174.70119.8
267S29.6Very low33.1Very low90 Ų90147.9 Ų147.963%0.62975%0.753SS**  142.3132.7118.3-122.40000118.9
268N32.4Very low32.5Very low134 Ų134148.8 Ų148.872%0.71776%0.758SS**  trans76.2111.9143-63.716.8000125.2
269N30.9Very low31.8Very low130 Ų130151.9 Ų151.970%0.69577%0.768SS**  63.9114.2122.3-6412.6000125.5
270N30.8Very low31.1Very low127 Ų127148 Ų14868%0.67977%0.765SS**  70.4120.7119.7-570.8000123.8
271N29.6Very low30.4Very low151 Ų151153.4 Ų153.481%0.80778%0.782SS**  trans63.5125.5139.3-57.6-8.9000121.4
272L30.6Very low30.1Very low153 Ų153153.4 Ų153.480%0.80179%0.794SS**  168.2108.1105.9-174.964.9000115.1
273R28.5Very low29.5Very low232 Ų232155 Ų15588%0.87579%0.794SS**  trans32.3119.7134.6-173.4-162.9-157.2173.66.7121.2
274S30.9Very low29.3Very low121 Ų121153 Ų15385%0.84679%0.793SS**  trans-164.7163.3138.157.40000115.3
275T29Very low29Very low139 Ų139151.9 Ų151.985%0.85379%0.794SS**  trans-59.2174.5-167.1240000120.9
276M27.3Very low28.7Very low166 Ų166149.3 Ų149.382%0.81878%0.784SS**  trans-56.2151.7170.5-55159.269.400113.4
277D30.7Very low28.8Very low145 Ų145144.3 Ų144.378%0.77578%0.775SS**  -162.6159.7109.8-119.5-35.4000116.1
278N27.2Very low28.8Very low116 Ų116142.6 Ų142.662%0.6276%0.758SS**  trans-45.6160.7-169.5-74.6-74.3000123
279H25.9Very low28.7Very low178 Ų178139.4 Ų139.482%0.82475%0.747SS**  trans64.9132.5158.8-60.6-49.9000117.7
280S26.9Very low29.1Very low109 Ų109137.6 Ų137.676%0.76274%0.736SS**  cis-161.4177.136.951.10000113.8
281Q25.5Very low29.3Very low190 Ų190137 Ų13789%0.88873%0.733SS**  trans-43.1127-175.1-62.4161.4-19.900116.5
282T27.9Very low29.7Very low145 Ų145134.5 Ų134.589%0.8972%0.719SS**  trans-152.6152137-7.90000110.7
283K26.4Very low30.1Very low193 Ų193131.2 Ų131.284%0.83970%0.7SS**  trans-75.5143176.8-58.1164.9-178.6171.80109.6
284N26.4Very low30.8Very low160 Ų160120.4 Ų120.486%0.85666%0.661SS**  trans-159.5161.8134.8-98.8-23.8000110.3
285L28.7Very low31.9Very low161 Ų161118.3 Ų118.384%0.84364%0.643SS**  trans-85.8149.9-177.2-59.7105.4000110.8S287L285-S287 VanDerWaalsContact C-N 3.33Å; L285-S287 PolarHBondContact O-N 3.02Å
286T28.6Very low33.4Very low94 Ų94112.3 Ų112.358%0.57761%0.608SS**  trans-69.388.1168.246.80000109.2D288T286-D288 PolarHBondContact O-N 2.97Å
287S31.1Very low35.5Very low96 Ų96104.4 Ų104.467%0.67157%0.569SS**  trans-64.890.9152-71.80000106.1L285 D533L285-S287 VanDerWaalsContact C-N 3.33Å; L285-S287 PolarHBondContact O-N 3.02Å; S287-D533 VanDerWaalsContact O-OD2 3.13Å
288D28.8Very low37.9Very low54 Ų5499 Ų9929%0.28954%0.54SS..  trans-16348.7-168.2-104.7-43.6000110.5T286 T531 T532 D533T286-D288 PolarHBondContact O-N 2.97Å; D288-T531 HydrophobicContact CB-CG2 4.14Å; D288-T531 CarbonylContact O-C 3.51Å; D288-T531 WeakPolarHBondContact O-CA 3.48Å; D288-T531 WeakPolarHBondContact O-CB 3.18Å; D288-T531 VanDerWaalsContact O-CG2 3.25Å; D288-T531 WeakPolarHBondContact O-CG2 3.33Å; D288-T532 CarbonylContact O-C 3.51Å; D288-T532 VanDerWaalsContact O-C 3.24Å; D288-T532 WeakPolarHBondContact O-CA 3.44Å; D288-T532 PolarHBondContact O-N 3.08Å; D288-T532 WeakPolarHBondContact OD1-CA 3.48Å; D288-D533 VanDerWaalsContact CA-CB 3.43Å; D288-D533 VanDerWaalsContact CA-N 3.31Å; D288-D533 HydrophobicContact CB-CB 4.45Å; D288-D533 VanDerWaalsContact N-CG 3.32Å; D288-D533 PolarHBondContact N-OD2 3.32Å; D288-D533 PolarHBondContact OD1-N 3.41Å
289S32.1Very low40.7Very low67 Ų6793.6 Ų93.647%0.46951%0.513SS..  trans17853.3160.954.30000114.8N291 T532 D533S289-N291 PolarHBondContact O-N 2.97Å; S289-T532 WeakPolarHBondContact CA-O 3.4Å; S289-D533 WeakPolarHBondContact CA-OD1 3.37Å; S289-D533 VanDerWaalsContact N-CG 3.3Å; S289-D533 PolarHBondContact N-OD1 2.89Å
290I37.5Very low43.8Very low92 Ų9285.3 Ų85.347%0.47248%0.475SS..  trans-87.894.7169.2-56.8175.2000107.2L292 D533I290-L292 PolarHBondContact O-N 3.46Å; I290-L292 VanDerWaalsContact O-N 3.08Å; I290-D533 PolarHBondContact N-OD1 3.49Å
291N34.8Very low46.9Very low114 Ų11480.1 Ų80.161%0.6144%0.439SS*.  trans-49.3120.5171.8-75.19.2000109.1S289 M293 S294S289-N291 PolarHBondContact O-N 2.97Å; N291-M293 PolarHBondContact O-N 3.21Å; N291-S294 WeakPolarHBondContact O-CB 3.19Å; N291-S294 PolarHBondContact O-N 2.95Å; N291-S294 PolarHBondContact O-OG 2.98Å
292L39.1Very low50.1Low100 Ų10071.5 Ų71.552%0.52440%0.399SS..G310 helixtrans-56.4-27.8-171.2-106.369.4000113.6V181 I290 S294 T295V181-L292 HydrophobicContact CG1-CD2 4.41Å; I290-L292 PolarHBondContact O-N 3.46Å; I290-L292 VanDerWaalsContact O-N 3.08Å; L292-S294 VanDerWaalsContact C-N 3.28Å; L292-S294 PolarHBondContact O-N 3.08Å; L292-T295 WeakPolarHBondContact O-CG2 3.42Å; L292-T295 PolarHBondContact O-N 3.21Å; L292-T295 PolarHBondContact O-OG1 3.18Å
293M39.5Very low53.1Low83 Ų8366.4 Ų66.441%0.40937%0.369SS..G310 helixtrans-61.4-29.3172.8-65.9-17571.100113.9T194 I202 N291 T295T194-M293 HydrophobicContact CG2-CE 3.85Å; T194-M293 HydrophobicContact CG2-SD 4.01Å; I202-M293 HydrophobicContact CD1-CB 4.15Å; I202-M293 HydrophobicContact CD1-CE 4.22Å; I202-M293 WeakPolarHBondContact CG2-O 3.35Å; N291-M293 PolarHBondContact O-N 3.21Å; M293-T295 VanDerWaalsContact C-N 3.29Å; M293-T295 PolarHBondContact O-N 2.8Å
294S42.9Very low56.3Low6 Ų657.2 Ų57.24%0.04233%0.329CS..G310 helixtrans-73-17.1-178.368.10000114.4N291 L292 G296 C297 N298N291-S294 WeakPolarHBondContact O-CB 3.19Å; N291-S294 PolarHBondContact O-N 2.95Å; N291-S294 PolarHBondContact O-OG 2.98Å; L292-S294 VanDerWaalsContact C-N 3.28Å; L292-S294 PolarHBondContact O-N 3.08Å; S294-G296 PolarHBondContact O-N 3.41Å; S294-C297 PolarHBondContact O-N 2.95Å; S294-C297 PolarHBondContact O-SG 3.25Å; S294-N298 PolarHBondContact O-N 3.02Å; S294-N298 VanDerWaalsContact O-N 3.08Å; S294-N298 PolarHBondContact O-ND2 3.04Å; S294-N298 PolarHBondContact O-OD1 3.35Å; S294-N298 PolarHBondContact OG-ND2 2.82Å
295T53.5Low59.5Low76 Ų7650 Ų5047%0.46629%0.29SS..G310 helixtrans-55.8-25.2-178.656.50000113.4L292 M293L292-T295 WeakPolarHBondContact O-CG2 3.42Å; L292-T295 PolarHBondContact O-N 3.21Å; L292-T295 PolarHBondContact O-OG1 3.18Å; M293-T295 VanDerWaalsContact C-N 3.29Å; M293-T295 PolarHBondContact O-N 2.8Å
296G60.6Low62.5Low13 Ų1347.9 Ų47.913%0.13428%0.276CS..G310 helixtrans-86.9-16.4176.700000116.6C205 C206 S294C205-G296 WeakPolarHBondContact CB-O 3.25Å; C206-G296 PolarHBondContact N-O 2.82Å; C206-G296 WeakPolarHBondContact SG-CA 3.05Å; C206-G296 PolarHBondContact SG-O 3.23Å; S294-G296 PolarHBondContact O-N 3.41Å
297C71.9Confident65.7Low0 Ų043.8 Ų43.80%025%0.251CS..THydrogen-bonded Turntrans-106.6-25.3179.261.30000114.1I202 C205 Q237 T238 S294 G299 A300I202-C297 HydrophobicContact CG1-CB 4.41Å; C205-C297 HydrophobicContact CB-CB 3.99Å; Q237-C297 PolarHBondContact OE1-SG 3.31Å; Q237-C297 VanDerWaalsContact OE1-SG 3.38Å; T238-C297 VanDerWaalsContact CA-O 3.31Å; T238-C297 WeakPolarHBondContact CA-O 3.31Å; T238-C297 HydrophobicContact CG2-CB 4.36Å; S294-C297 PolarHBondContact O-N 2.95Å; S294-C297 PolarHBondContact O-SG 3.25Å; C297-G299 PolarHBondContact O-N 3.41Å; C297-A300 VanDerWaalsContact O-CB 3.25Å; C297-A300 WeakPolarHBondContact O-CB 3.35Å; C297-A300 PolarHBondContact O-N 2.97Å; C297-A300 VanDerWaalsContact O-N 3.09Å
298N81.3Confident68.7Low31 Ų3145.6 Ų45.617%0.16625%0.253CS..THydrogen-bonded Turntrans-54.9121.2-178.6-65.4-17.3000112Q237 T242 S294 A300Q237-N298 WeakPolarHBondContact CB-OD1 3.21Å; Q237-N298 WeakPolarHBondContact CG-OD1 3.37Å; Q237-N298 WeakPolarHBondContact O-CA 3.45Å; T242-N298 HydrophobicContact CG2-CB 3.84Å; S294-N298 PolarHBondContact O-N 3.02Å; S294-N298 VanDerWaalsContact O-N 3.08Å; S294-N298 PolarHBondContact O-ND2 3.04Å; S294-N298 PolarHBondContact O-OD1 3.35Å; S294-N298 PolarHBondContact OG-ND2 2.82Å; N298-A300 PolarHBondContact O-N 3.21Å
299G85.7Confident71.8Confident4 Ų448.3 Ų48.34%0.04126%0.26CS..THydrogen-bonded Turntrans68.211.4179.200000116.1Q237 T238 E240 C297 I301 I302 S303Q237-G299 PolarHBondContact O-N 3.34Å; T238-G299 CarbonylContact O-C 3.59Å; T238-G299 WeakPolarHBondContact O-CA 3.45Å; E240-G299 WeakPolarHBondContact O-CA 3.36Å; E240-G299 PolarHBondContact O-N 3.28Å; C297-G299 PolarHBondContact O-N 3.41Å; G299-I301 PolarHBondContact O-N 2.86Å; G299-I302 PolarHBondContact O-N 2.93Å; G299-S303 PolarHBondContact O-N 2.68Å; G299-S303 PolarHBondContact O-OG 3.12Å
300A90.3Very high74.9Confident4 Ų448.6 Ų48.63%0.03325%0.253CS..Hα-helixtrans-63.8-38.8-175.600000113.4C205 L208 T238 C297 N298 S303 G304C205-A300 HydrophobicContact CB-CB 3.68Å; L208-A300 HydrophobicContact CD1-CB 4.19Å; L208-A300 WeakPolarHBondContact CD1-O 3.21Å; T238-A300 HydrophobicContact CG2-CB 4.45Å; T238-A300 PolarHBondContact O-N 2.95Å; C297-A300 VanDerWaalsContact O-CB 3.25Å; C297-A300 WeakPolarHBondContact O-CB 3.35Å; C297-A300 PolarHBondContact O-N 2.97Å; C297-A300 VanDerWaalsContact O-N 3.09Å; N298-A300 PolarHBondContact O-N 3.21Å; A300-S303 WeakPolarHBondContact O-CB 3.43Å; A300-S303 PolarHBondContact O-N 3.46Å; A300-G304 PolarHBondContact O-N 3.46Å; A300-G304 VanDerWaalsContact O-N 3.13Å
301I93.4Very high77.7Confident0 Ų046.3 Ų46.30%024%0.24CC..Hα-helixtrans-70.3-37176.1-80.8-177.9000111.1M223 T238 L239 G299 S303 G304 L305 T316 V320 I323 F330M223-I301 HydrophobicContact SD-CD1 3.88Å; M223-I301 HydrophobicContact SD-CG1 3.66Å; T238-I301 WeakPolarHBondContact O-CB 3.48Å; T238-I301 PolarHBondContact O-N 3.36Å; T238-I301 VanDerWaalsContact OG1-CD1 3.28Å; T238-I301 WeakPolarHBondContact OG1-CD1 3.19Å; L239-I301 HydrophobicContact CD2-CB 4.34Å; L239-I301 HydrophobicContact CD2-CG2 3.81Å; G299-I301 PolarHBondContact O-N 2.86Å; I301-S303 VanDerWaalsContact C-N 3.33Å; I301-S303 PolarHBondContact O-N 3.19Å; I301-G304 CarbonylContact O-C 3.52Å; I301-G304 PolarHBondContact O-N 3.29Å; I301-G304 VanDerWaalsContact O-N 3.13Å; I301-L305 HydrophobicContact CG2-CD1 4Å; I301-L305 HydrophobicContact CG2-CG 4.33Å; I301-L305 WeakPolarHBondContact O-CG 3.43Å; I301-L305 PolarHBondContact O-N 3.2Å; I301-T316 HydrophobicContact CG2-CG2 4.12Å; I301-V320 HydrophobicContact CD1-CG2 4Å; I301-V320 HydrophobicContact CG2-CG2 3.38Å; I301-I323 HydrophobicContact CD1-CD1 3.77Å; I301-F330 HydrophobicContact CD1-CE2 4.13Å; I301-F330 HydrophobicContact CD1-CZ 3.76Å
302I92Very high80.6Confident9 Ų940.9 Ų40.95%0.04621%0.211CC..Hα-helixtrans-61.2-45.5173.9-65.1175.4000110.1L239 K241 G299 G304 L305 E306 L337L239-I302 WeakPolarHBondContact O-CD1 3.42Å; K241-I302 HydrophobicContact CB-CD1 3.54Å; K241-I302 HydrophobicContact CD-CD1 4.31Å; K241-I302 HydrophobicContact CD-CG2 4.37Å; K241-I302 HydrophobicContact CG-CD1 4.05Å; G299-I302 PolarHBondContact O-N 2.93Å; I302-G304 PolarHBondContact O-N 3.35Å; I302-L305 PolarHBondContact O-N 3.33Å; I302-E306 HydrophobicContact CG2-CG 4.16Å; I302-E306 PolarHBondContact O-N 3.38Å; I302-L337 HydrophobicContact CD1-CD1 4.22Å; I302-L337 HydrophobicContact CG1-CD1 3.94Å; I302-L337 HydrophobicContact CG1-CD2 4.48Å
303S90.6Very high83.3Confident37 Ų3737.6 Ų37.626%0.25919%0.192SC..Hα-helixtrans-54.4-38.5173.9-540000112.4Q209 G299 A300 I301 D307Q209-S303 PolarHBondContact NE2-OG 2.87Å; G299-S303 PolarHBondContact O-N 2.68Å; G299-S303 PolarHBondContact O-OG 3.12Å; A300-S303 WeakPolarHBondContact O-CB 3.43Å; A300-S303 PolarHBondContact O-N 3.46Å; I301-S303 VanDerWaalsContact C-N 3.33Å; I301-S303 PolarHBondContact O-N 3.19Å; S303-D307 PolarHBondContact O-N 3.28Å
304G93.1Very high86.1Confident0 Ų035 Ų350%018%0.182CC..Hα-helixtrans-81.8-11.4177.600000115.5A300 I301 I302 T316A300-G304 PolarHBondContact O-N 3.46Å; A300-G304 VanDerWaalsContact O-N 3.13Å; I301-G304 CarbonylContact O-C 3.52Å; I301-G304 PolarHBondContact O-N 3.29Å; I301-G304 VanDerWaalsContact O-N 3.13Å; I302-G304 PolarHBondContact O-N 3.35Å; G304-T316 VanDerWaalsContact C-OG1 3.31Å; G304-T316 WeakPolarHBondContact O-CB 3.46Å; G304-T316 PolarHBondContact O-OG1 3.02Å
305L94.4Very high88.6Confident8 Ų835.5 Ų35.54%0.04218%0.184CC..Hα-helixtrans-94-30.2172.1-70.5175.1000111.7I301 I302 D307 R313 T316 L317 M341I301-L305 HydrophobicContact CG2-CD1 4Å; I301-L305 HydrophobicContact CG2-CG 4.33Å; I301-L305 WeakPolarHBondContact O-CG 3.43Å; I301-L305 PolarHBondContact O-N 3.2Å; I302-L305 PolarHBondContact O-N 3.33Å; L305-D307 VanDerWaalsContact C-N 3.28Å; L305-R313 VanDerWaalsContact O-CD 3.27Å; L305-R313 WeakPolarHBondContact O-CD 3.35Å; L305-R313 VanDerWaalsContact O-CG 3.31Å; L305-R313 WeakPolarHBondContact O-CG 3.32Å; L305-T316 HydrophobicContact CD2-CG2 3.94Å; L305-T316 HydrophobicContact CG-CG2 3.89Å; L305-L317 HydrophobicContact CD2-CD2 3.8Å; L305-L317 HydrophobicContact CD2-CG 3.68Å; L305-M341 HydrophobicContact CB-SD 4.29Å; L305-M341 HydrophobicContact CD2-CG 4.43Å; L305-M341 WeakPolarHBondContact O-CE 3.21Å
306E92.5Very high90.7Very high117 Ų11732 Ų3255%0.54716%0.163SC..SBendtrans-89.714.2176.4-61.9-178.8168.500112.5K241 I302K241-E306 IonicContact NZ-OE1 3.81Å; K241-E306 PolarHBondContact NZ-OE1 2.69Å; K241-E306 IonicContact NZ-OE2 3.46Å; I302-E306 HydrophobicContact CG2-CG 4.16Å; I302-E306 PolarHBondContact O-N 3.38Å
307D94.8Very high92.4Very high8 Ų831.3 Ų31.34%0.04316%0.156CC..  trans-72.5137.6-176.2-164.7-67.5000113.3R216 S303 L305 Y309 I312 R313R216-D307 IonicContact CZ-OD1 2.77Å; R216-D307 IonicContact CZ-OD2 3.25Å; R216-D307 IonicContact NE-OD2 3.71Å; R216-D307 PolarHBondContact NE-OD2 2.94Å; R216-D307 IonicContact NH1-OD2 2.77Å; R216-D307 IonicContact NH2-OD1 2.8Å; R216-D307 PolarHBondContact NH2-OD1 3.24Å; R216-D307 IonicContact NH2-OD2 3.66Å; R216-D307 PolarHBondContact NH2-OD2 3.43Å; S303-D307 PolarHBondContact O-N 3.28Å; L305-D307 VanDerWaalsContact C-N 3.28Å; D307-Y309 PolarHBondContact O-N 3.35Å; D307-Y309 VanDerWaalsContact O-N 3.13Å; D307-Y309 PolarHBondContact OD1-N 2.79Å; D307-I312 HydrophobicContact CB-CB 4.03Å; D307-I312 HydrophobicContact CB-CG2 3.81Å; D307-I312 WeakPolarHBondContact OD1-CD1 3.13Å; D307-I312 VanDerWaalsContact OD2-CD1 3.31Å; D307-I312 WeakPolarHBondContact OD2-CD1 3.47Å; D307-I312 WeakPolarHBondContact OD2-CG2 3.05Å; D307-R313 HydrophobicContact CB-CG 4.27Å; D307-R313 WeakPolarHBondContact O-CD 3.28Å; D307-R313 VanDerWaalsContact O-CG 3.27Å; D307-R313 WeakPolarHBondContact O-CG 3.48Å; D307-R313 PolarHBondContact O-NE 3.19Å
308D93.4Very high93.5Very high135 Ų13534.1 Ų34.172%0.72218%0.179SC*.SBendtrans-49.8-40.1176.5-50.4-70.6000112.9
309Y95.6Very high94.1Very high111 Ų11132.8 Ų32.844%0.43517%0.172SC..SBendtrans-90.6116.1-175.7-62.4-86.1000111.4R213 D307 E311 I312 R313R213-Y309 HydrophobicContact CB-CD2 4.42Å; R213-Y309 HydrophobicContact CB-CE2 4.5Å; R213-Y309 HydrophobicContact CG-CD2 4.45Å; R213-Y309 HydrophobicContact CG-CG 4.32Å; D307-Y309 PolarHBondContact O-N 3.35Å; D307-Y309 VanDerWaalsContact O-N 3.13Å; D307-Y309 PolarHBondContact OD1-N 2.79Å; Y309-E311 PolarHBondContact O-N 3.35Å; Y309-I312 HydrophobicContact CD2-CD1 4.48Å; Y309-I312 WeakPolarHBondContact O-CA 3.35Å; Y309-I312 WeakPolarHBondContact O-CB 3.25Å; Y309-I312 PolarHBondContact O-N 3.38Å; Y309-R313 PolarHBondContact O-N 3.02Å; Y309-R313 VanDerWaalsContact O-N 3.15Å
310F95.8Very high94.5Very high73 Ų7332.7 Ų32.732%0.3217%0.171SC..Hα-helixtrans-57-26.218081.9-87.8000113.7R313 C314 I346 V349F310-R313 PolarHBondContact O-N 2.87Å; F310-C314 VanDerWaalsContact O-CB 3.27Å; F310-C314 WeakPolarHBondContact O-CB 3.09Å; F310-C314 PolarHBondContact O-N 3.07Å; F310-C314 PolarHBondContact O-SG 3.1Å; F310-C314 VanDerWaalsContact O-SG 3.34Å; F310-I346 HydrophobicContact CB-CB 4.14Å; F310-I346 HydrophobicContact CB-CG1 3.93Å; F310-I346 HydrophobicContact CB-CG2 3.92Å; F310-I346 HydrophobicContact CD2-CG2 3.87Å; F310-I346 HydrophobicContact CG-CG2 3.94Å; F310-V349 HydrophobicContact CB-CG2 3.72Å
311E95.8Very high94.7Very high44 Ų4433.9 Ų33.921%0.20618%0.178CC..Hα-helixtrans-72.8-27.6175.7-53.996.8133.600112.8R213 Y309 T315R213-E311 IonicContact CZ-OE1 2.64Å; R213-E311 IonicContact CZ-OE2 2.78Å; R213-E311 IonicContact NH1-OE1 3.65Å; R213-E311 PolarHBondContact NH1-OE1 3.13Å; R213-E311 IonicContact NH1-OE2 3.19Å; R213-E311 PolarHBondContact NH1-OE2 3.37Å; R213-E311 IonicContact NH2-OE1 2.64Å; R213-E311 PolarHBondContact NH2-OE1 2.87Å; R213-E311 IonicContact NH2-OE2 2.95Å; Y309-E311 PolarHBondContact O-N 3.35Å; E311-T315 WeakPolarHBondContact O-CB 3.44Å; E311-T315 PolarHBondContact O-N 3.01Å; E311-T315 VanDerWaalsContact O-N 3.11Å; E311-T315 PolarHBondContact O-OG1 3.18Å
312I96.2Very high94.6Very high0 Ų037.6 Ų37.60%020%0.195CC..Hα-helixtrans-73.4-50.5168.8-64.3170.7000108.7R213 R216 Q217 D307 Y309 C314 T315 T316R213-I312 HydrophobicContact CB-CD1 4.22Å; R213-I312 HydrophobicContact CG-CD1 3.87Å; R213-I312 HydrophobicContact CG-CG1 4.29Å; R216-I312 HydrophobicContact CB-CD1 3.57Å; R216-I312 HydrophobicContact CB-CG1 4.31Å; R216-I312 HydrophobicContact CG-CD1 4.33Å; R216-I312 VanDerWaalsContact NE-CD1 3.33Å; Q217-I312 HydrophobicContact CB-CG1 4.34Å; D307-I312 HydrophobicContact CB-CB 4.03Å; D307-I312 HydrophobicContact CB-CG2 3.81Å; D307-I312 WeakPolarHBondContact OD1-CD1 3.13Å; D307-I312 VanDerWaalsContact OD2-CD1 3.31Å; D307-I312 WeakPolarHBondContact OD2-CD1 3.47Å; D307-I312 WeakPolarHBondContact OD2-CG2 3.05Å; Y309-I312 HydrophobicContact CD2-CD1 4.48Å; Y309-I312 WeakPolarHBondContact O-CA 3.35Å; Y309-I312 WeakPolarHBondContact O-CB 3.25Å; Y309-I312 PolarHBondContact O-N 3.38Å; I312-C314 VanDerWaalsContact C-N 3.27Å; I312-C314 PolarHBondContact O-N 2.96Å; I312-T315 CarbonylContact O-C 3.51Å; I312-T315 WeakPolarHBondContact O-CA 3.36Å; I312-T315 PolarHBondContact O-N 3.17Å; I312-T316 PolarHBondContact O-N 3.35Å; I312-T316 PolarHBondContact O-OG1 3.22Å; I312-T316 VanDerWaalsContact O-OG1 3.05Å
313R96.9Very high94.7Very high30 Ų3037.2 Ų37.211%0.11319%0.193CC..Hα-helixtrans-49.2-47.9174.6-59.4-168.2-114.8156.7-3.7112.1L305 D307 Y309 F310 T315 L317 M341 D344 D345 V349L305-R313 VanDerWaalsContact O-CD 3.27Å; L305-R313 WeakPolarHBondContact O-CD 3.35Å; L305-R313 VanDerWaalsContact O-CG 3.31Å; L305-R313 WeakPolarHBondContact O-CG 3.32Å; D307-R313 HydrophobicContact CB-CG 4.27Å; D307-R313 WeakPolarHBondContact O-CD 3.28Å; D307-R313 VanDerWaalsContact O-CG 3.27Å; D307-R313 WeakPolarHBondContact O-CG 3.48Å; D307-R313 PolarHBondContact O-NE 3.19Å; Y309-R313 PolarHBondContact O-N 3.02Å; Y309-R313 VanDerWaalsContact O-N 3.15Å; F310-R313 PolarHBondContact O-N 2.87Å; R313-T315 PolarHBondContact O-N 2.88Å; R313-L317 WeakPolarHBondContact O-CB 3.26Å; R313-L317 WeakPolarHBondContact O-CG 3.41Å; R313-L317 PolarHBondContact O-N 3.27Å; R313-M341 HydrophobicContact CB-CE 4.43Å; R313-D344 IonicContact CZ-OD2 3.44Å; R313-D344 IonicContact NH1-OD1 3.07Å; R313-D344 PolarHBondContact NH1-OD1 3.15Å; R313-D344 IonicContact NH1-OD2 2.74Å; R313-D344 PolarHBondContact NH1-OD2 3.31Å; R313-D345 IonicContact CZ-OD1 3.34Å; R313-D345 IonicContact NH1-OD1 2.77Å; R313-D345 PolarHBondContact NH1-OD1 3.26Å; R313-D345 IonicContact NH2-OD1 3.21Å; R313-D345 PolarHBondContact NH2-OD1 3.22Å; R313-V349 HydrophobicContact CB-CG1 3.97Å; R313-V349 HydrophobicContact CB-CG2 4.1Å
314C97Very high94.7Very high30 Ų3035.4 Ų35.420%0.20318%0.181CC..Hα-helixtrans-62.5-37.5174.7-80.60000114.4F310 I312 A318F310-C314 VanDerWaalsContact O-CB 3.27Å; F310-C314 WeakPolarHBondContact O-CB 3.09Å; F310-C314 PolarHBondContact O-N 3.07Å; F310-C314 PolarHBondContact O-SG 3.1Å; F310-C314 VanDerWaalsContact O-SG 3.34Å; I312-C314 VanDerWaalsContact C-N 3.27Å; I312-C314 PolarHBondContact O-N 2.96Å; C314-A318 PolarHBondContact O-N 3.31Å; C314-A318 VanDerWaalsContact O-N 3.08Å
315T96.5Very high94.6Very high16 Ų1638 Ų3810%0.09820%0.199CC..Hα-helixtrans-76.7-39.1-179.8-52.90000111Q217 A220 E311 I312 R313 A318 T319Q217-T315 HydrophobicContact CG-CG2 4Å; Q217-T315 WeakPolarHBondContact CG-OG1 3.14Å; Q217-T315 PolarHBondContact NE2-OG1 2.97Å; A220-T315 HydrophobicContact CB-CG2 3.83Å; E311-T315 WeakPolarHBondContact O-CB 3.44Å; E311-T315 PolarHBondContact O-N 3.01Å; E311-T315 VanDerWaalsContact O-N 3.11Å; E311-T315 PolarHBondContact O-OG1 3.18Å; I312-T315 CarbonylContact O-C 3.51Å; I312-T315 WeakPolarHBondContact O-CA 3.36Å; I312-T315 PolarHBondContact O-N 3.17Å; R313-T315 PolarHBondContact O-N 2.88Å; T315-A318 PolarHBondContact O-N 2.97Å; T315-T319 PolarHBondContact O-N 3.22Å; T315-T319 PolarHBondContact O-OG1 2.96Å
316T96.4Very high94.3Very high1 Ų141.7 Ų41.71%0.00622%0.218CC..Hα-helixtrans-63.4-41.8171.1-48.70000110.8I301 G304 L305 I312 A318 T319 V320I301-T316 HydrophobicContact CG2-CG2 4.12Å; G304-T316 VanDerWaalsContact C-OG1 3.31Å; G304-T316 WeakPolarHBondContact O-CB 3.46Å; G304-T316 PolarHBondContact O-OG1 3.02Å; L305-T316 HydrophobicContact CD2-CG2 3.94Å; L305-T316 HydrophobicContact CG-CG2 3.89Å; I312-T316 PolarHBondContact O-N 3.35Å; I312-T316 PolarHBondContact O-OG1 3.22Å; I312-T316 VanDerWaalsContact O-OG1 3.05Å; T316-A318 VanDerWaalsContact C-N 3.35Å; T316-A318 PolarHBondContact O-N 2.94Å; T316-T319 CarbonylContact O-C 3.52Å; T316-T319 WeakPolarHBondContact O-CA 3.5Å; T316-T319 VanDerWaalsContact O-CB 3.31Å; T316-T319 WeakPolarHBondContact O-CB 3.38Å; T316-T319 PolarHBondContact O-N 2.89Å; T316-T319 VanDerWaalsContact O-N 3.1Å; T316-V320 HydrophobicContact CG2-CG2 4.48Å; T316-V320 WeakPolarHBondContact O-CG2 3.46Å; T316-V320 PolarHBondContact O-N 2.89Å
317L96Very high94Very high0 Ų037.3 Ų37.30%020%0.198CC..Hα-helixtrans-58.7-42.4171.7-82.3171.2000112.6L305 R313 T319 V320 T321 L338 M341 V349 A352 A353 A356L305-L317 HydrophobicContact CD2-CD2 3.8Å; L305-L317 HydrophobicContact CD2-CG 3.68Å; R313-L317 WeakPolarHBondContact O-CB 3.26Å; R313-L317 WeakPolarHBondContact O-CG 3.41Å; R313-L317 PolarHBondContact O-N 3.27Å; L317-T319 VanDerWaalsContact C-N 3.29Å; L317-T319 PolarHBondContact O-N 3.4Å; L317-V320 PolarHBondContact O-N 3.47Å; L317-T321 WeakPolarHBondContact O-CB 3.43Å; L317-T321 PolarHBondContact O-N 2.97Å; L317-T321 PolarHBondContact O-OG1 3.13Å; L317-L338 HydrophobicContact CD2-CD2 3.41Å; L317-L338 VanDerWaalsContact CD2-CD2 3.41Å; L317-M341 HydrophobicContact CD1-CB 4.49Å; L317-M341 HydrophobicContact CD2-CB 4.29Å; L317-M341 HydrophobicContact CD2-CG 4.15Å; L317-V349 HydrophobicContact CD1-CG1 3.6Å; L317-A352 HydrophobicContact CB-CB 4.28Å; L317-A352 HydrophobicContact CD1-CB 3.79Å; L317-A353 HydrophobicContact CD1-CB 4.16Å; L317-A353 HydrophobicContact CD2-CB 4.35Å; L317-A356 HydrophobicContact CD2-CB 4.44Å
318A95.8Very high93.7Very high59 Ų5941 Ų4149%0.48822%0.221SC..Hα-helixtrans-64.2-35.8174.600000112.3C314 T315 T316 T321 H322C314-A318 PolarHBondContact O-N 3.31Å; C314-A318 VanDerWaalsContact O-N 3.08Å; T315-A318 PolarHBondContact O-N 2.97Å; T316-A318 VanDerWaalsContact C-N 3.35Å; T316-A318 PolarHBondContact O-N 2.94Å; A318-T321 WeakPolarHBondContact O-CB 3.19Å; A318-T321 PolarHBondContact O-N 3.37Å; A318-H322 PolarHBondContact O-N 2.89Å
319T94.5Very high93.6Very high3 Ų340.2 Ų40.22%0.01821%0.208CC..Hα-helixtrans-65.8-52.6175.1-56.80000111.1A220 M223 A224 T315 T316 L317 T321 H322 I323A220-T319 WeakPolarHBondContact O-CG2 3.29Å; A220-T319 PolarHBondContact O-OG1 3Å; M223-T319 HydrophobicContact CB-CG2 4.06Å; M223-T319 HydrophobicContact CG-CG2 4.04Å; M223-T319 HydrophobicContact SD-CG2 4.17Å; A224-T319 HydrophobicContact CB-CG2 4.05Å; T315-T319 PolarHBondContact O-N 3.22Å; T315-T319 PolarHBondContact O-OG1 2.96Å; T316-T319 CarbonylContact O-C 3.52Å; T316-T319 WeakPolarHBondContact O-CA 3.5Å; T316-T319 VanDerWaalsContact O-CB 3.31Å; T316-T319 WeakPolarHBondContact O-CB 3.38Å; T316-T319 PolarHBondContact O-N 2.89Å; T316-T319 VanDerWaalsContact O-N 3.1Å; L317-T319 VanDerWaalsContact C-N 3.29Å; L317-T319 PolarHBondContact O-N 3.4Å; T319-T321 VanDerWaalsContact C-N 3.27Å; T319-T321 PolarHBondContact O-N 3.17Å; T319-H322 WeakPolarHBondContact O-CA 3.5Å; T319-H322 WeakPolarHBondContact O-CB 3.42Å; T319-H322 PolarHBondContact O-N 3.37Å; T319-I323 HydrophobicContact CG2-CD1 3.9Å; T319-I323 HydrophobicContact CG2-CG1 4.48Å; T319-I323 WeakPolarHBondContact O-CG1 3.45Å; T319-I323 PolarHBondContact O-N 2.81Å
320V93.9Very high93.3Very high1 Ų135 Ų351%0.00619%0.188CC..Hα-helixtrans-55.1-42.5173.61730000111.2I301 T316 L317 H322 I323 A324 F330 C334 L338I301-V320 HydrophobicContact CD1-CG2 4Å; I301-V320 HydrophobicContact CG2-CG2 3.38Å; T316-V320 HydrophobicContact CG2-CG2 4.48Å; T316-V320 WeakPolarHBondContact O-CG2 3.46Å; T316-V320 PolarHBondContact O-N 2.89Å; L317-V320 PolarHBondContact O-N 3.47Å; V320-H322 VanDerWaalsContact C-N 3.32Å; V320-H322 PolarHBondContact O-N 3.32Å; V320-I323 PolarHBondContact O-N 2.88Å; V320-A324 WeakPolarHBondContact O-CB 3.32Å; V320-A324 PolarHBondContact O-N 2.66Å; V320-F330 HydrophobicContact CG1-CE1 4.04Å; V320-C334 HydrophobicContact CG1-CB 4.08Å; V320-L338 HydrophobicContact CG1-CD1 4.05Å; V320-L338 HydrophobicContact CG1-CD2 3.73Å; V320-L338 HydrophobicContact CG1-CG 4.03Å
321T93.2Very high93.1Very high30 Ų3031.5 Ų31.518%0.18417%0.172CC..Hα-helixtrans-57-45.3174.2-54.60000111.4L317 A318 T319 S325 A356 A359L317-T321 WeakPolarHBondContact O-CB 3.43Å; L317-T321 PolarHBondContact O-N 2.97Å; L317-T321 PolarHBondContact O-OG1 3.13Å; A318-T321 WeakPolarHBondContact O-CB 3.19Å; A318-T321 PolarHBondContact O-N 3.37Å; T319-T321 VanDerWaalsContact C-N 3.27Å; T319-T321 PolarHBondContact O-N 3.17Å; T321-S325 WeakPolarHBondContact O-CB 3.4Å; T321-S325 PolarHBondContact O-N 3.14Å; T321-A356 VanDerWaalsContact OG1-CA 3.25Å; T321-A356 WeakPolarHBondContact OG1-CA 3.44Å; T321-A356 WeakPolarHBondContact OG1-CB 3.22Å; T321-A359 HydrophobicContact CG2-CB 3.68Å
322H93.3Very high92.8Very high77 Ų7733.6 Ų33.636%0.35619%0.185SC..Hα-helixtrans-66.7-48.4179-168.958.4000111.8A224 A318 T319 V320 A324 S325 L326A224-H322 HydrophobicContact CB-CB 4.35Å; A224-H322 PolarHBondContact O-CD2 2.86Å; A318-H322 PolarHBondContact O-N 2.89Å; T319-H322 WeakPolarHBondContact O-CA 3.5Å; T319-H322 WeakPolarHBondContact O-CB 3.42Å; T319-H322 PolarHBondContact O-N 3.37Å; V320-H322 VanDerWaalsContact C-N 3.32Å; V320-H322 PolarHBondContact O-N 3.32Å; H322-A324 PolarHBondContact O-N 3.01Å; H322-S325 WeakPolarHBondContact O-CA 3.47Å; H322-S325 WeakPolarHBondContact O-CB 3.39Å; H322-S325 PolarHBondContact O-N 3.25Å; H322-S325 PolarHBondContact O-OG 3.22Å; H322-L326 PolarHBondContact O-N 3.44Å
323I92.5Very high92.4Very high1 Ų138 Ų381%0.00521%0.208CC..Hα-helixtrans-62.2-44-179.3-56.1170.5000110.3M223 A227 L235 I301 T319 V320 S325 L326 N327 F330M223-I323 HydrophobicContact CG-CD1 4.49Å; A227-I323 HydrophobicContact CB-CD1 4.16Å; A227-I323 HydrophobicContact CB-CG1 3.63Å; A227-I323 HydrophobicContact CB-CG2 4.47Å; L235-I323 HydrophobicContact CD1-CG2 4.07Å; L235-I323 HydrophobicContact CD2-CD1 4.46Å; L235-I323 HydrophobicContact CD2-CG2 4.13Å; L235-I323 HydrophobicContact CG-CG2 4.49Å; I301-I323 HydrophobicContact CD1-CD1 3.77Å; T319-I323 HydrophobicContact CG2-CD1 3.9Å; T319-I323 HydrophobicContact CG2-CG1 4.48Å; T319-I323 WeakPolarHBondContact O-CG1 3.45Å; T319-I323 PolarHBondContact O-N 2.81Å; V320-I323 PolarHBondContact O-N 2.88Å; I323-S325 VanDerWaalsContact C-N 3.29Å; I323-S325 PolarHBondContact O-N 3.45Å; I323-L326 PolarHBondContact O-N 3.23Å; I323-L326 VanDerWaalsContact O-N 3.09Å; I323-N327 PolarHBondContact O-N 2.85Å; I323-F330 HydrophobicContact CB-CD1 3.93Å; I323-F330 HydrophobicContact CB-CE1 3.59Å; I323-F330 HydrophobicContact CB-CE2 4.32Å; I323-F330 HydrophobicContact CB-CG 4.43Å; I323-F330 HydrophobicContact CB-CZ 3.81Å; I323-F330 HydrophobicContact CD1-CE2 4.31Å; I323-F330 HydrophobicContact CD1-CZ 3.95Å; I323-F330 HydrophobicContact CG1-CZ 4.48Å; I323-F330 HydrophobicContact CG2-CB 4.33Å; I323-F330 HydrophobicContact CG2-CD1 3.56Å; I323-F330 HydrophobicContact CG2-CD2 3.64Å; I323-F330 HydrophobicContact CG2-CE1 3.62Å; I323-F330 HydrophobicContact CG2-CE2 3.69Å; I323-F330 HydrophobicContact CG2-CG 3.57Å; I323-F330 HydrophobicContact CG2-CZ 3.68Å
324A91.1Very high92.1Very high0 Ų036.6 Ų36.60%020%0.203CC..Hα-helixtrans-67.8-24.9174.900000113.5V320 H322 L326 F330 A331 V360 K363V320-A324 WeakPolarHBondContact O-CB 3.32Å; V320-A324 PolarHBondContact O-N 2.66Å; H322-A324 PolarHBondContact O-N 3.01Å; A324-L326 VanDerWaalsContact C-N 3.3Å; A324-F330 HydrophobicContact CB-CD1 4.04Å; A324-F330 HydrophobicContact CB-CE1 4.35Å; A324-A331 HydrophobicContact CB-CB 3.7Å; A324-V360 HydrophobicContact CB-CG2 3.5Å; A324-K363 PolarHBondContact O-NZ 3.06Å
325S90.5Very high91.8Very high54 Ų5435.5 Ų35.538%0.37820%0.195SC..Hα-helixtrans-69.4-29.4170.883.60000112.2T321 H322 I323 K363T321-S325 WeakPolarHBondContact O-CB 3.4Å; T321-S325 PolarHBondContact O-N 3.14Å; H322-S325 WeakPolarHBondContact O-CA 3.47Å; H322-S325 WeakPolarHBondContact O-CB 3.39Å; H322-S325 PolarHBondContact O-N 3.25Å; H322-S325 PolarHBondContact O-OG 3.22Å; I323-S325 VanDerWaalsContact C-N 3.29Å; I323-S325 PolarHBondContact O-N 3.45Å; S325-K363 VanDerWaalsContact C-NZ 3.26Å; S325-K363 PolarHBondContact O-NZ 3.39Å
326L88.2Confident91.4Very high86 Ų8637.9 Ų37.945%0.4521%0.207SC..Hα-helixtrans-85.8-49176.4-60.3175.3000112.3K228 H322 I323 A324K228-L326 HydrophobicContact CB-CD1 4.25Å; H322-L326 PolarHBondContact O-N 3.44Å; I323-L326 PolarHBondContact O-N 3.23Å; I323-L326 VanDerWaalsContact O-N 3.09Å; A324-L326 VanDerWaalsContact C-N 3.3Å
327N87.6Confident91.1Very high25 Ų2539.6 Ų39.613%0.13422%0.216CC..  trans-113.5122.2-170.5-176.3-48.9000112.1E232 I323 R329 F330 A331E232-N327 PolarHBondContact OE1-ND2 3.47Å; E232-N327 PolarHBondContact OE1-OD1 3.48Å; I323-N327 PolarHBondContact O-N 2.85Å; N327-R329 WeakPolarHBondContact OD1-CA 3.34Å; N327-R329 WeakPolarHBondContact OD1-CB 3.37Å; N327-R329 PolarHBondContact OD1-N 3.29Å; N327-F330 HydrophobicContact CB-CB 3.95Å; N327-F330 PolarHBondContact OD1-N 3.15Å; N327-A331 VanDerWaalsContact O-CB 3.31Å; N327-A331 WeakPolarHBondContact O-CB 3.44Å; N327-A331 PolarHBondContact O-N 2.96Å; N327-A331 VanDerWaalsContact O-N 3.12Å
328T88.4Confident91Very high86 Ų8639.6 Ų39.653%0.52822%0.216SC..Hα-helixtrans-73-29.3-179.442.20000114.6A331 L332 K363T328-A331 WeakPolarHBondContact O-CB 3.42Å; T328-L332 WeakPolarHBondContact O-CG 3.34Å; T328-L332 PolarHBondContact O-N 3.47Å; T328-K363 HydrophobicContact CG2-CD 4.15Å
329R89.8Confident90.8Very high118 Ų11836.9 Ų36.945%0.44519%0.193SC..Hα-helixtrans-80.4-40.1179.8-174.1179.5176.4-169.5-2.1111.8E232 L236 N327 A331 L332 N333E232-R329 WeakPolarHBondContact OE2-CD 3.19Å; E232-R329 IonicContact OE2-CZ 3.28Å; E232-R329 IonicContact OE2-NH1 2.72Å; E232-R329 PolarHBondContact OE2-NH1 3.09Å; L236-R329 HydrophobicContact CD1-CG 4.23Å; L236-R329 HydrophobicContact CD2-CG 4.47Å; N327-R329 WeakPolarHBondContact OD1-CA 3.34Å; N327-R329 WeakPolarHBondContact OD1-CB 3.37Å; N327-R329 PolarHBondContact OD1-N 3.29Å; R329-A331 VanDerWaalsContact C-N 3.3Å; R329-L332 WeakPolarHBondContact O-CB 3.35Å; R329-L332 PolarHBondContact O-N 3.16Å; R329-N333 PolarHBondContact O-N 3.18Å; R329-N333 PolarHBondContact O-OD1 3.21Å
330F91Very high90.7Very high0 Ų040.6 Ų40.60%021%0.213CC..Hα-helixtrans-58.4-45.2166.5-178.3-81.6000110.3L235 L236 L239 I301 V320 I323 A324 N327 L332 N333 C334L235-F330 HydrophobicContact CB-CD2 4.08Å; L235-F330 WeakPolarHBondContact O-CE2 3.34Å; L236-F330 HydrophobicContact CD2-CB 4.13Å; L236-F330 HydrophobicContact CD2-CD2 4.43Å; L239-F330 HydrophobicContact CD1-CD1 4.28Å; L239-F330 HydrophobicContact CD1-CD2 3.5Å; L239-F330 HydrophobicContact CD1-CE1 4.29Å; L239-F330 HydrophobicContact CD1-CE2 3.51Å; L239-F330 HydrophobicContact CD1-CG 3.91Å; L239-F330 HydrophobicContact CD1-CZ 3.92Å; L239-F330 HydrophobicContact CD2-CE2 3.89Å; L239-F330 HydrophobicContact CD2-CZ 3.78Å; L239-F330 HydrophobicContact CG-CD2 4.03Å; L239-F330 HydrophobicContact CG-CE2 3.56Å; L239-F330 HydrophobicContact CG-CZ 3.98Å; I301-F330 HydrophobicContact CD1-CE2 4.13Å; I301-F330 HydrophobicContact CD1-CZ 3.76Å; V320-F330 HydrophobicContact CG1-CE1 4.04Å; I323-F330 HydrophobicContact CB-CD1 3.93Å; I323-F330 HydrophobicContact CB-CE1 3.59Å; I323-F330 HydrophobicContact CB-CE2 4.32Å; I323-F330 HydrophobicContact CB-CG 4.43Å; I323-F330 HydrophobicContact CB-CZ 3.81Å; I323-F330 HydrophobicContact CD1-CE2 4.31Å; I323-F330 HydrophobicContact CD1-CZ 3.95Å; I323-F330 HydrophobicContact CG1-CZ 4.48Å; I323-F330 HydrophobicContact CG2-CB 4.33Å; I323-F330 HydrophobicContact CG2-CD1 3.56Å; I323-F330 HydrophobicContact CG2-CD2 3.64Å; I323-F330 HydrophobicContact CG2-CE1 3.62Å; I323-F330 HydrophobicContact CG2-CE2 3.69Å; I323-F330 HydrophobicContact CG2-CG 3.57Å; I323-F330 HydrophobicContact CG2-CZ 3.68Å; A324-F330 HydrophobicContact CB-CD1 4.04Å; A324-F330 HydrophobicContact CB-CE1 4.35Å; N327-F330 HydrophobicContact CB-CB 3.95Å; N327-F330 PolarHBondContact OD1-N 3.15Å; F330-L332 VanDerWaalsContact C-N 3.32Å; F330-L332 PolarHBondContact O-N 2.77Å; F330-N333 PolarHBondContact O-N 2.82Å; F330-N333 VanDerWaalsContact O-N 3.16Å; F330-C334 HydrophobicContact CE1-CB 4.25Å; F330-C334 PolarHBondContact O-N 3.35Å; F330-C334 PolarHBondContact O-SG 2.95Å; F330-C334 VanDerWaalsContact O-SG 3.35Å
331A90.5Very high90.7Very high0 Ų041.6 Ų41.60%022%0.218CC..Hα-helixtrans-59.7-37.5176.100000113.8A324 N327 T328 R329 Q335 V360 V364A324-A331 HydrophobicContact CB-CB 3.7Å; N327-A331 VanDerWaalsContact O-CB 3.31Å; N327-A331 WeakPolarHBondContact O-CB 3.44Å; N327-A331 PolarHBondContact O-N 2.96Å; N327-A331 VanDerWaalsContact O-N 3.12Å; T328-A331 WeakPolarHBondContact O-CB 3.42Å; R329-A331 VanDerWaalsContact C-N 3.3Å; A331-Q335 PolarHBondContact O-N 3.49Å; A331-V360 HydrophobicContact CB-CG1 3.94Å; A331-V360 HydrophobicContact CB-CG2 4.46Å; A331-V364 HydrophobicContact CB-CG2 4.05Å
332L88.9Confident90.7Very high89 Ų8940.4 Ų40.447%0.46621%0.21SC..Hα-helixtrans-63-49.2171.8-86.3154.7000111.4T328 R329 F330 Q335 V364T328-L332 WeakPolarHBondContact O-CG 3.34Å; T328-L332 PolarHBondContact O-N 3.47Å; R329-L332 WeakPolarHBondContact O-CB 3.35Å; R329-L332 PolarHBondContact O-N 3.16Å; F330-L332 VanDerWaalsContact C-N 3.32Å; F330-L332 PolarHBondContact O-N 2.77Å; L332-Q335 WeakPolarHBondContact O-CB 3.04Å; L332-Q335 PolarHBondContact O-N 2.75Å; L332-V364 HydrophobicContact CD2-CG1 3.69Å; L332-V364 HydrophobicContact CG-CG1 4.21Å; L332-V364 HydrophobicContact CG-CG2 4.18Å
333N89.3Confident90.7Very high92 Ų9241.6 Ų41.649%0.49222%0.223SC..Hα-helixtrans-73.1-32.8-174.6-74.217.6000113.3L236 L239 R329 F330 Q335L236-N333 HydrophobicContact CD2-CB 4.37Å; L239-N333 HydrophobicContact CD1-CB 3.92Å; R329-N333 PolarHBondContact O-N 3.18Å; R329-N333 PolarHBondContact O-OD1 3.21Å; F330-N333 PolarHBondContact O-N 2.82Å; F330-N333 VanDerWaalsContact O-N 3.16Å; N333-Q335 VanDerWaalsContact C-N 3.33Å
334C90.7Very high90.8Very high1 Ų142.5 Ų42.51%0.00723%0.228CC..THydrogen-bonded Turntrans-83.8-4.2177.676.50000113.7L239 V320 F330 D336 L337 L338L239-C334 HydrophobicContact CD1-CB 3.74Å; L239-C334 HydrophobicContact CD2-CB 3.8Å; L239-C334 HydrophobicContact CG-CB 4.44Å; V320-C334 HydrophobicContact CG1-CB 4.08Å; F330-C334 HydrophobicContact CE1-CB 4.25Å; F330-C334 PolarHBondContact O-N 3.35Å; F330-C334 PolarHBondContact O-SG 2.95Å; F330-C334 VanDerWaalsContact O-SG 3.35Å; C334-D336 PolarHBondContact O-N 3.21Å; C334-L337 PolarHBondContact O-N 3.38Å; C334-L338 WeakPolarHBondContact O-CB 3.36Å; C334-L338 WeakPolarHBondContact O-CG 3.49Å; C334-L338 PolarHBondContact O-N 3.39Å
335Q89.6Confident90.9Very high7 Ų747.9 Ų47.93%0.03326%0.257CS..Hα-helixtrans-61.8-44.8-172.4-168.7-167.432.400112.5A331 L332 N333 L338 V339 V364 Q370A331-Q335 PolarHBondContact O-N 3.49Å; L332-Q335 WeakPolarHBondContact O-CB 3.04Å; L332-Q335 PolarHBondContact O-N 2.75Å; N333-Q335 VanDerWaalsContact C-N 3.33Å; Q335-L338 PolarHBondContact O-N 3.41Å; Q335-V339 WeakPolarHBondContact O-CG2 3.4Å; Q335-V339 PolarHBondContact O-N 3.31Å; Q335-V364 HydrophobicContact CB-CG1 4.32Å; Q335-V364 HydrophobicContact CG-CG1 4.19Å; Q335-Q370 VanDerWaalsContact CD-NE2 3.31Å
336D88.9Confident91.1Very high66 Ų6647.9 Ų47.935%0.35325%0.252SS..Hα-helixtrans-63.7-47.4-179.6-63.9-55.9000110.5C334 L338 V339 D340 K367 Q370C334-D336 PolarHBondContact O-N 3.21Å; D336-L338 VanDerWaalsContact C-N 3.32Å; D336-L338 PolarHBondContact O-N 3.25Å; D336-V339 WeakPolarHBondContact O-CA 3.29Å; D336-V339 WeakPolarHBondContact O-CB 3.23Å; D336-V339 PolarHBondContact O-N 3.42Å; D336-D340 PolarHBondContact O-N 2.68Å; D336-K367 IonicContact OD1-NZ 3.32Å; D336-K367 PolarHBondContact OD1-NZ 2.99Å; D336-K367 IonicContact OD2-NZ 2.62Å; D336-K367 PolarHBondContact OD2-NZ 3.08Å; D336-Q370 PolarHBondContact OD1-NE2 3.31Å
337L90.5Very high91.3Very high36 Ų3647.8 Ų47.819%0.18825%0.249CC..Hα-helixtrans-55.2-43.4173.1-63171.1000112.5L239 I302 C334 V339 D340 M341L239-L337 HydrophobicContact CD2-CD1 4.19Å; I302-L337 HydrophobicContact CD1-CD1 4.22Å; I302-L337 HydrophobicContact CG1-CD1 3.94Å; I302-L337 HydrophobicContact CG1-CD2 4.48Å; C334-L337 PolarHBondContact O-N 3.38Å; L337-V339 VanDerWaalsContact C-N 3.27Å; L337-V339 PolarHBondContact O-N 2.67Å; L337-D340 PolarHBondContact O-N 3.39Å; L337-M341 WeakPolarHBondContact O-CG 3.47Å; L337-M341 PolarHBondContact O-N 3.05Å; L337-M341 VanDerWaalsContact O-N 3.15Å
338L92.5Very high91.6Very high0 Ų050.2 Ų50.20%026%0.262CS..Hα-helixtrans-67.3-26.4178-74.5-178.4000113.4L317 V320 C334 Q335 D336 A356 L357L317-L338 HydrophobicContact CD2-CD2 3.41Å; L317-L338 VanDerWaalsContact CD2-CD2 3.41Å; V320-L338 HydrophobicContact CG1-CD1 4.05Å; V320-L338 HydrophobicContact CG1-CD2 3.73Å; V320-L338 HydrophobicContact CG1-CG 4.03Å; C334-L338 WeakPolarHBondContact O-CB 3.36Å; C334-L338 WeakPolarHBondContact O-CG 3.49Å; C334-L338 PolarHBondContact O-N 3.39Å; Q335-L338 PolarHBondContact O-N 3.41Å; D336-L338 VanDerWaalsContact C-N 3.32Å; D336-L338 PolarHBondContact O-N 3.25Å; L338-A356 HydrophobicContact CD1-CB 4.05Å; L338-A356 HydrophobicContact CD2-CB 3.63Å; L338-A356 HydrophobicContact CG-CB 4.44Å; L338-L357 HydrophobicContact CB-CD2 3.53Å; L338-L357 HydrophobicContact CB-CG 3.99Å; L338-L357 HydrophobicContact CD1-CD2 4.3Å
339V92.3Very high92Very high2 Ų246.1 Ų46.11%0.01224%0.237CC..Hα-helixtrans-77.5-39.1173.3170.10000110.7Q335 D336 L337 M341 L342 L357 Q370 I373 I374Q335-V339 WeakPolarHBondContact O-CG2 3.4Å; Q335-V339 PolarHBondContact O-N 3.31Å; D336-V339 WeakPolarHBondContact O-CA 3.29Å; D336-V339 WeakPolarHBondContact O-CB 3.23Å; D336-V339 PolarHBondContact O-N 3.42Å; L337-V339 VanDerWaalsContact C-N 3.27Å; L337-V339 PolarHBondContact O-N 2.67Å; V339-M341 VanDerWaalsContact C-N 3.29Å; V339-M341 PolarHBondContact O-N 2.67Å; V339-L342 VanDerWaalsContact O-CB 3.24Å; V339-L342 WeakPolarHBondContact O-CB 3.39Å; V339-L342 PolarHBondContact O-N 2.77Å; V339-L357 HydrophobicContact CG2-CD1 4.09Å; V339-L357 HydrophobicContact CG2-CD2 3.95Å; V339-Q370 HydrophobicContact CG1-CB 4.29Å; V339-Q370 HydrophobicContact CG1-CG 4.43Å; V339-Q370 HydrophobicContact CG2-CB 4.18Å; V339-Q370 HydrophobicContact CG2-CG 4.17Å; V339-I373 HydrophobicContact CG1-CB 3.76Å; V339-I373 HydrophobicContact CG1-CD1 3.81Å; V339-I373 HydrophobicContact CG1-CG1 4.39Å; V339-I373 HydrophobicContact CG1-CG2 3.67Å; V339-I374 HydrophobicContact CG1-CG1 4.46Å; V339-I374 HydrophobicContact CG2-CD1 4.3Å; V339-I374 HydrophobicContact CG2-CG1 4.45Å
340D91.7Very high92.2Very high82 Ų8242.2 Ų42.244%0.43922%0.222SC..Hα-helixtrans-59.2-40.2175-65.2-27.1000111.4D336 L337 L342 T343D336-D340 PolarHBondContact O-N 2.68Å; L337-D340 PolarHBondContact O-N 3.39Å; D340-L342 PolarHBondContact O-N 3Å; D340-T343 PolarHBondContact O-N 3.15Å; D340-T343 PolarHBondContact O-OG1 2.7Å
341M94.8Very high92.4Very high21 Ų2142.5 Ų42.510%0.10322%0.224CC..THydrogen-bonded Turntrans-65.3-2.8175-59.2-51.6-65.700114.6L305 R313 L317 L337 V339 T343 D344 V349 A353L305-M341 HydrophobicContact CB-SD 4.29Å; L305-M341 HydrophobicContact CD2-CG 4.43Å; L305-M341 WeakPolarHBondContact O-CE 3.21Å; R313-M341 HydrophobicContact CB-CE 4.43Å; L317-M341 HydrophobicContact CD1-CB 4.49Å; L317-M341 HydrophobicContact CD2-CB 4.29Å; L317-M341 HydrophobicContact CD2-CG 4.15Å; L337-M341 WeakPolarHBondContact O-CG 3.47Å; L337-M341 PolarHBondContact O-N 3.05Å; L337-M341 VanDerWaalsContact O-N 3.15Å; V339-M341 VanDerWaalsContact C-N 3.29Å; V339-M341 PolarHBondContact O-N 2.67Å; M341-T343 VanDerWaalsContact C-N 3.33Å; M341-D344 HydrophobicContact CE-CB 4.47Å; M341-D344 WeakPolarHBondContact CE-OD2 3.45Å; M341-D344 WeakPolarHBondContact O-CB 3.36Å; M341-V349 HydrophobicContact CE-CG1 3.6Å; M341-A353 HydrophobicContact CB-CB 3.66Å; M341-A353 WeakPolarHBondContact O-CB 3.49Å
342L93.4Very high92.6Very high6 Ų643.2 Ų43.23%0.03123%0.23CC..THydrogen-bonded Turntrans-78.6-17.1165.4-62.6179.6000113.1V339 D340 R350 A353 V354 L357 I374 L389V339-L342 VanDerWaalsContact O-CB 3.24Å; V339-L342 WeakPolarHBondContact O-CB 3.39Å; V339-L342 PolarHBondContact O-N 2.77Å; D340-L342 PolarHBondContact O-N 3Å; L342-R350 WeakPolarHBondContact O-CD 3.47Å; L342-A353 HydrophobicContact CD2-CB 3.93Å; L342-V354 HydrophobicContact CD2-CB 4.35Å; L342-V354 HydrophobicContact CD2-CG2 3.41Å; L342-V354 VanDerWaalsContact CD2-CG2 3.41Å; L342-L357 HydrophobicContact CD1-CD1 3.64Å; L342-L357 HydrophobicContact CD2-CD1 4.1Å; L342-L357 HydrophobicContact CG-CD1 3.91Å; L342-I374 HydrophobicContact CD1-CB 4.21Å; L342-I374 HydrophobicContact CD1-CG1 3.6Å; L342-I374 HydrophobicContact CD1-CG2 4.37Å; L342-L389 HydrophobicContact CD1-CD2 4.44Å; L342-L389 HydrophobicContact CD2-CD2 4.43Å
343T92.5Very high92.9Very high102 Ų10239 Ų3963%0.62621%0.208SC*.SBendtrans-96-0.3178.268.90000113.3D340 M341 I373D340-T343 PolarHBondContact O-N 3.15Å; D340-T343 PolarHBondContact O-OG1 2.7Å; M341-T343 VanDerWaalsContact C-N 3.33Å; T343-I373 HydrophobicContact CG2-CG2 3.87Å
344D94.9Very high93.1Very high19 Ų1934.7 Ų34.710%0.10219%0.185CC..  trans-51.3148.1177.2-170.6-75.9000113.2R313 M341 I346 V349 R350R313-D344 IonicContact CZ-OD2 3.44Å; R313-D344 IonicContact NH1-OD1 3.07Å; R313-D344 PolarHBondContact NH1-OD1 3.15Å; R313-D344 IonicContact NH1-OD2 2.74Å; R313-D344 PolarHBondContact NH1-OD2 3.31Å; M341-D344 HydrophobicContact CE-CB 4.47Å; M341-D344 WeakPolarHBondContact CE-OD2 3.45Å; M341-D344 WeakPolarHBondContact O-CB 3.36Å; D344-I346 PolarHBondContact OD1-N 3.21Å; D344-V349 HydrophobicContact CB-CB 4.34Å; D344-V349 HydrophobicContact CB-CG1 4.17Å; D344-V349 VanDerWaalsContact CG-CG1 3.5Å; D344-V349 WeakPolarHBondContact OD1-CB 3.34Å; D344-V349 VanDerWaalsContact OD2-CG1 3.29Å; D344-V349 WeakPolarHBondContact OD2-CG1 3.43Å; D344-R350 HydrophobicContact CB-CG 3.96Å; D344-R350 VanDerWaalsContact O-CD 3.26Å; D344-R350 WeakPolarHBondContact O-CD 3.48Å; D344-R350 WeakPolarHBondContact O-CG 3.44Å; D344-R350 PolarHBondContact O-NH1 3.5Å
345D92.9Very high93.2Very high114 Ų11440.3 Ų40.361%0.6121%0.206SC*.SBendtrans-70.1-33.2-177.670.6-55.4000113.5R313 R350R313-D345 IonicContact CZ-OD1 3.34Å; R313-D345 IonicContact NH1-OD1 2.77Å; R313-D345 PolarHBondContact NH1-OD1 3.26Å; R313-D345 IonicContact NH2-OD1 3.21Å; R313-D345 PolarHBondContact NH2-OD1 3.22Å; D345-R350 PolarHBondContact O-NH1 2.93Å
346I94.6Very high93.3Very high53 Ų5340 Ų4027%0.27220%0.204SC..SBendtrans-92.6123.9-174.3-59.1-56.3000111.9F310 D344 D348 V349 R350F310-I346 HydrophobicContact CB-CB 4.14Å; F310-I346 HydrophobicContact CB-CG1 3.93Å; F310-I346 HydrophobicContact CB-CG2 3.92Å; F310-I346 HydrophobicContact CD2-CG2 3.87Å; F310-I346 HydrophobicContact CG-CG2 3.94Å; D344-I346 PolarHBondContact OD1-N 3.21Å; I346-D348 VanDerWaalsContact C-N 3.26Å; I346-D348 HydrophobicContact CG2-CB 4.46Å; I346-D348 PolarHBondContact O-N 3.24Å; I346-D348 VanDerWaalsContact O-N 3.16Å; I346-V349 HydrophobicContact CB-CB 4.41Å; I346-V349 HydrophobicContact CB-CG2 3.87Å; I346-V349 HydrophobicContact CG2-CG2 4.05Å; I346-V349 PolarHBondContact O-N 3.31Å; I346-R350 PolarHBondContact O-N 3.15Å; I346-R350 VanDerWaalsContact O-N 3.09Å
347Q93Very high93.4Very high85 Ų8537.2 Ų37.240%0.39719%0.19SC..Hα-helixtrans-56.6-35.8-176.6-168.1-171.4-81.600113.5L351 I385Q347-L351 VanDerWaalsContact O-CB 3.32Å; Q347-L351 WeakPolarHBondContact O-CB 3.42Å; Q347-L351 PolarHBondContact O-N 2.93Å; Q347-I385 HydrophobicContact CG-CD1 3.42Å; Q347-I385 VanDerWaalsContact CG-CD1 3.42Å
348D94.4Very high93.3Very high75 Ų7536.5 Ų36.540%0.40119%0.187SC..Hα-helixtrans-73.8-29.5178.4-78.3-49.2000113.2I346 L351 A352I346-D348 VanDerWaalsContact C-N 3.26Å; I346-D348 HydrophobicContact CG2-CB 4.46Å; I346-D348 PolarHBondContact O-N 3.24Å; I346-D348 VanDerWaalsContact O-N 3.16Å; D348-L351 CarbonylContact O-C 3.59Å; D348-L351 PolarHBondContact O-N 3.2Å; D348-A352 WeakPolarHBondContact O-CB 3.45Å; D348-A352 PolarHBondContact O-N 2.79Å
349V96.1Very high92.9Very high0 Ų038.4 Ų38.40%020%0.203CC..Hα-helixtrans-71.7-46.2174.3-174.20000109.7F310 R313 L317 M341 D344 I346 L351 A352 A353F310-V349 HydrophobicContact CB-CG2 3.72Å; R313-V349 HydrophobicContact CB-CG1 3.97Å; R313-V349 HydrophobicContact CB-CG2 4.1Å; L317-V349 HydrophobicContact CD1-CG1 3.6Å; M341-V349 HydrophobicContact CE-CG1 3.6Å; D344-V349 HydrophobicContact CB-CB 4.34Å; D344-V349 HydrophobicContact CB-CG1 4.17Å; D344-V349 VanDerWaalsContact CG-CG1 3.5Å; D344-V349 WeakPolarHBondContact OD1-CB 3.34Å; D344-V349 VanDerWaalsContact OD2-CG1 3.29Å; D344-V349 WeakPolarHBondContact OD2-CG1 3.43Å; I346-V349 HydrophobicContact CB-CB 4.41Å; I346-V349 HydrophobicContact CB-CG2 3.87Å; I346-V349 HydrophobicContact CG2-CG2 4.05Å; I346-V349 PolarHBondContact O-N 3.31Å; V349-L351 VanDerWaalsContact C-N 3.29Å; V349-L351 PolarHBondContact O-N 3.33Å; V349-A352 CarbonylContact O-C 3.56Å; V349-A352 WeakPolarHBondContact O-CA 3.36Å; V349-A352 WeakPolarHBondContact O-CB 3.3Å; V349-A352 PolarHBondContact O-N 3.47Å; V349-A353 PolarHBondContact O-N 3.45Å
350R94.7Very high92.2Very high37 Ų3738.4 Ų38.414%0.1420%0.203CC..Hα-helixtrans-53.8-46.6169.9-65-164.7-62.9-80.99.7111.4L342 D344 D345 I346 A352 A353 V354 E380L342-R350 WeakPolarHBondContact O-CD 3.47Å; D344-R350 HydrophobicContact CB-CG 3.96Å; D344-R350 VanDerWaalsContact O-CD 3.26Å; D344-R350 WeakPolarHBondContact O-CD 3.48Å; D344-R350 WeakPolarHBondContact O-CG 3.44Å; D344-R350 PolarHBondContact O-NH1 3.5Å; D345-R350 PolarHBondContact O-NH1 2.93Å; I346-R350 PolarHBondContact O-N 3.15Å; I346-R350 VanDerWaalsContact O-N 3.09Å; R350-A352 VanDerWaalsContact C-N 3.26Å; R350-A352 PolarHBondContact O-N 3.08Å; R350-A353 PolarHBondContact O-N 3.45Å; R350-V354 WeakPolarHBondContact O-CG2 3.46Å; R350-V354 PolarHBondContact O-N 2.94Å; R350-E380 IonicContact CZ-OE1 3.26Å; R350-E380 IonicContact CZ-OE2 3.78Å; R350-E380 IonicContact NE-OE1 2.75Å; R350-E380 IonicContact NE-OE2 2.7Å; R350-E380 PolarHBondContact NE-OE2 2.97Å; R350-E380 IonicContact NH2-OE1 3.81Å; R350-E380 PolarHBondContact NH2-OE1 3.21Å; R350-E380 IonicContact NH2-OE2 2.82Å; R350-E380 PolarHBondContact NH2-OE2 2.87Å
351L94Very high91.4Very high5 Ų534.7 Ų34.73%0.02619%0.185CC..Hα-helixtrans-67.6-21.1177.2-178.460.3000113.6Q347 D348 V349 R355 I385 R388Q347-L351 VanDerWaalsContact O-CB 3.32Å; Q347-L351 WeakPolarHBondContact O-CB 3.42Å; Q347-L351 PolarHBondContact O-N 2.93Å; D348-L351 CarbonylContact O-C 3.59Å; D348-L351 PolarHBondContact O-N 3.2Å; V349-L351 VanDerWaalsContact C-N 3.29Å; V349-L351 PolarHBondContact O-N 3.33Å; L351-R355 VanDerWaalsContact O-CG 3.31Å; L351-R355 WeakPolarHBondContact O-CG 3.46Å; L351-R355 PolarHBondContact O-NE 2.94Å; L351-I385 HydrophobicContact CB-CD1 4.1Å; L351-I385 HydrophobicContact CB-CG1 4.07Å; L351-I385 HydrophobicContact CD1-CG1 3.98Å; L351-I385 HydrophobicContact CG-CG1 4.45Å; L351-R388 HydrophobicContact CD1-CG 4.43Å
352A94.6Very high90.6Very high16 Ų1637.8 Ų37.813%0.13220%0.202CC..Hα-helixtrans-79.2-43.5169.400000111.2L317 D348 V349 R350 V354 R355 A356L317-A352 HydrophobicContact CB-CB 4.28Å; L317-A352 HydrophobicContact CD1-CB 3.79Å; D348-A352 WeakPolarHBondContact O-CB 3.45Å; D348-A352 PolarHBondContact O-N 2.79Å; V349-A352 CarbonylContact O-C 3.56Å; V349-A352 WeakPolarHBondContact O-CA 3.36Å; V349-A352 WeakPolarHBondContact O-CB 3.3Å; V349-A352 PolarHBondContact O-N 3.47Å; R350-A352 VanDerWaalsContact C-N 3.26Å; R350-A352 PolarHBondContact O-N 3.08Å; A352-V354 PolarHBondContact O-N 2.87Å; A352-R355 WeakPolarHBondContact O-CA 3.41Å; A352-R355 WeakPolarHBondContact O-CB 3.35Å; A352-R355 PolarHBondContact O-N 3.22Å; A352-A356 PolarHBondContact O-N 3.14Å
353A95.2Very high89.9Confident0 Ų041.2 Ų41.20%022%0.216CC..Hα-helixtrans-60.2-41.6177.400000112.3L317 M341 L342 V349 R350 R355 A356 L357L317-A353 HydrophobicContact CD1-CB 4.16Å; L317-A353 HydrophobicContact CD2-CB 4.35Å; M341-A353 HydrophobicContact CB-CB 3.66Å; M341-A353 WeakPolarHBondContact O-CB 3.49Å; L342-A353 HydrophobicContact CD2-CB 3.93Å; V349-A353 PolarHBondContact O-N 3.45Å; R350-A353 PolarHBondContact O-N 3.45Å; A353-R355 VanDerWaalsContact C-N 3.27Å; A353-R355 PolarHBondContact O-N 3.16Å; A353-A356 WeakPolarHBondContact O-CB 3.46Å; A353-A356 PolarHBondContact O-N 3.36Å; A353-A356 VanDerWaalsContact O-N 3.15Å; A353-L357 WeakPolarHBondContact O-CG 3.42Å; A353-L357 PolarHBondContact O-N 3.33Å
354V93.9Very high89.4Confident1 Ų136.4 Ų36.41%0.00619%0.187CC..Hα-helixtrans-58.9-38172.1-1770000111.6L342 R350 A352 S358 R388 L389 L392L342-V354 HydrophobicContact CD2-CB 4.35Å; L342-V354 HydrophobicContact CD2-CG2 3.41Å; L342-V354 VanDerWaalsContact CD2-CG2 3.41Å; R350-V354 WeakPolarHBondContact O-CG2 3.46Å; R350-V354 PolarHBondContact O-N 2.94Å; A352-V354 PolarHBondContact O-N 2.87Å; V354-S358 WeakPolarHBondContact O-CB 3.48Å; V354-S358 PolarHBondContact O-N 3.41Å; V354-S358 PolarHBondContact O-OG 3.41Å; V354-R388 HydrophobicContact CB-CG 4.43Å; V354-R388 HydrophobicContact CG1-CB 4.04Å; V354-R388 HydrophobicContact CG1-CG 3.64Å; V354-L389 HydrophobicContact CG1-CD2 4.27Å; V354-L389 HydrophobicContact CG1-CG 4.47Å; V354-L389 HydrophobicContact CG2-CD2 3.59Å; V354-L389 HydrophobicContact CG2-CG 3.97Å; V354-L392 HydrophobicContact CG1-CB 4.14Å; V354-L392 HydrophobicContact CG1-CD2 4.15Å
355R92.2Very high89.1Confident119 Ų11938.3 Ų38.345%0.44920%0.2SC..Hα-helixtrans-70.1-38.4176.8-61.6170.7-147.5-171.68.5111.9L351 A352 A353 S358 A359L351-R355 VanDerWaalsContact O-CG 3.31Å; L351-R355 WeakPolarHBondContact O-CG 3.46Å; L351-R355 PolarHBondContact O-NE 2.94Å; A352-R355 WeakPolarHBondContact O-CA 3.41Å; A352-R355 WeakPolarHBondContact O-CB 3.35Å; A352-R355 PolarHBondContact O-N 3.22Å; A353-R355 VanDerWaalsContact C-N 3.27Å; A353-R355 PolarHBondContact O-N 3.16Å; R355-S358 PolarHBondContact O-N 2.64Å; R355-A359 PolarHBondContact O-N 3.37Å
356A91.7Very high88.9Confident0 Ų033 Ų330%017%0.172CC..Hα-helixtrans-61-50.6176.500000110.7L317 T321 L338 A352 A353 S358 A359 V360L317-A356 HydrophobicContact CD2-CB 4.44Å; T321-A356 VanDerWaalsContact OG1-CA 3.25Å; T321-A356 WeakPolarHBondContact OG1-CA 3.44Å; T321-A356 WeakPolarHBondContact OG1-CB 3.22Å; L338-A356 HydrophobicContact CD1-CB 4.05Å; L338-A356 HydrophobicContact CD2-CB 3.63Å; L338-A356 HydrophobicContact CG-CB 4.44Å; A352-A356 PolarHBondContact O-N 3.14Å; A353-A356 WeakPolarHBondContact O-CB 3.46Å; A353-A356 PolarHBondContact O-N 3.36Å; A353-A356 VanDerWaalsContact O-N 3.15Å; A356-S358 VanDerWaalsContact C-N 3.31Å; A356-S358 PolarHBondContact O-N 3.4Å; A356-A359 PolarHBondContact O-N 2.94Å; A356-A359 VanDerWaalsContact O-N 3.12Å; A356-V360 WeakPolarHBondContact O-CG2 3.36Å
357L91.7Very high88.7Confident9 Ų934.7 Ų34.75%0.04718%0.177CC..Hα-helixtrans-60.8-37.1174.2-68.2171.6000112.2L338 V339 L342 A353 A359 V360 G361 L392L338-L357 HydrophobicContact CB-CD2 3.53Å; L338-L357 HydrophobicContact CB-CG 3.99Å; L338-L357 HydrophobicContact CD1-CD2 4.3Å; V339-L357 HydrophobicContact CG2-CD1 4.09Å; V339-L357 HydrophobicContact CG2-CD2 3.95Å; L342-L357 HydrophobicContact CD1-CD1 3.64Å; L342-L357 HydrophobicContact CD2-CD1 4.1Å; L342-L357 HydrophobicContact CG-CD1 3.91Å; A353-L357 WeakPolarHBondContact O-CG 3.42Å; A353-L357 PolarHBondContact O-N 3.33Å; L357-A359 PolarHBondContact O-N 3.41Å; L357-V360 PolarHBondContact O-N 3.22Å; L357-G361 PolarHBondContact O-N 3.37Å; L357-L392 VanDerWaalsContact C-CD1 3.43Å; L357-L392 HydrophobicContact CB-CD1 3.63Å; L357-L392 HydrophobicContact CB-CD2 3.8Å; L357-L392 HydrophobicContact CB-CG 4.39Å; L357-L392 HydrophobicContact CD1-CD2 4Å
358S89Confident88.3Confident20 Ų2033 Ų3314%0.1418%0.175CC..Hα-helixtrans-65.6-22.6176.4-68.50000113.7V354 R355 A356 V360V354-S358 WeakPolarHBondContact O-CB 3.48Å; V354-S358 PolarHBondContact O-N 3.41Å; V354-S358 PolarHBondContact O-OG 3.41Å; R355-S358 PolarHBondContact O-N 2.64Å; A356-S358 VanDerWaalsContact C-N 3.31Å; A356-S358 PolarHBondContact O-N 3.4Å; S358-V360 VanDerWaalsContact C-N 3.32Å
359A83.2Confident88Confident41 Ų4136.3 Ų36.334%0.33919%0.188SC..THydrogen-bonded Turntrans-85.2-6.9174.300000113.3T321 R355 A356 L357T321-A359 HydrophobicContact CG2-CB 3.68Å; R355-A359 PolarHBondContact O-N 3.37Å; A356-A359 PolarHBondContact O-N 2.94Å; A356-A359 VanDerWaalsContact O-N 3.12Å; L357-A359 PolarHBondContact O-N 3.41Å
360V78.4Confident87.7Confident1 Ų136.5 Ų36.51%0.00619%0.189CC..THydrogen-bonded Turntrans-123.7-29.4-168.5172.80000113.1A324 A331 A356 L357 S358 D362 K363 V364A324-V360 HydrophobicContact CB-CG2 3.5Å; A331-V360 HydrophobicContact CB-CG1 3.94Å; A331-V360 HydrophobicContact CB-CG2 4.46Å; A356-V360 WeakPolarHBondContact O-CG2 3.36Å; L357-V360 PolarHBondContact O-N 3.22Å; S358-V360 VanDerWaalsContact C-N 3.32Å; V360-D362 PolarHBondContact O-N 3.24Å; V360-D362 VanDerWaalsContact O-N 3.16Å; V360-K363 WeakPolarHBondContact O-CA 3.25Å; V360-K363 WeakPolarHBondContact O-CB 3.36Å; V360-K363 PolarHBondContact O-N 3.11Å; V360-V364 HydrophobicContact CG1-CB 4.18Å; V360-V364 HydrophobicContact CG1-CG2 3.67Å; V360-V364 PolarHBondContact O-N 2.83Å; V360-V364 VanDerWaalsContact O-N 3.08Å
361G74.7Confident87.6Confident5 Ų534.8 Ų34.85%0.05218%0.182CC..THydrogen-bonded Turntrans-61.1-24.9-173.500000115.4L357 K363 R397L357-G361 PolarHBondContact O-N 3.37Å; G361-K363 VanDerWaalsContact C-N 3.3Å; G361-R397 PolarHBondContact O-N 2.94Å
362D78.3Confident87.5Confident86 Ų8637.2 Ų37.246%0.4620%0.2SC..THydrogen-bonded Turntrans-68.5-30.7172.7-60.632.9000111.8V360 R397V360-D362 PolarHBondContact O-N 3.24Å; V360-D362 VanDerWaalsContact O-N 3.16Å; D362-R397 WeakPolarHBondContact O-CD 3.36Å
363K77.2Confident87.3Confident77 Ų7738.4 Ų38.434%0.33520%0.203SC..THydrogen-bonded Turntrans-90.8-38.8-176.1-58.2179176.1-1680112.3A324 S325 T328 V360 G361A324-K363 PolarHBondContact O-NZ 3.06Å; S325-K363 VanDerWaalsContact C-NZ 3.26Å; S325-K363 PolarHBondContact O-NZ 3.39Å; T328-K363 HydrophobicContact CG2-CD 4.15Å; V360-K363 WeakPolarHBondContact O-CA 3.25Å; V360-K363 WeakPolarHBondContact O-CB 3.36Å; V360-K363 PolarHBondContact O-N 3.11Å; G361-K363 VanDerWaalsContact C-N 3.3Å
364V82.9Confident87.2Confident2 Ų238.5 Ų38.51%0.01220%0.204CC..SBendtrans-115.1122.5-167.6-171.70000111.3A331 L332 Q335 V360 V366A331-V364 HydrophobicContact CB-CG2 4.05Å; L332-V364 HydrophobicContact CD2-CG1 3.69Å; L332-V364 HydrophobicContact CG-CG1 4.21Å; L332-V364 HydrophobicContact CG-CG2 4.18Å; Q335-V364 HydrophobicContact CB-CG1 4.32Å; Q335-V364 HydrophobicContact CG-CG1 4.19Å; V360-V364 HydrophobicContact CG1-CB 4.18Å; V360-V364 HydrophobicContact CG1-CG2 3.67Å; V360-V364 PolarHBondContact O-N 2.83Å; V360-V364 VanDerWaalsContact O-N 3.08Å; V364-V366 PolarHBondContact O-N 3.42Å
365P87.9Confident87.2Confident58 Ų5839.2 Ų39.238%0.37721%0.209SC..PPolyproline II helixtrans-71.1127.4179.829.3-33.9000111.7R397 A399P365-R397 CarbonylContact C-O 3.59Å; P365-R397 WeakPolarHBondContact CA-O 3.35Å; P365-A399 HydrophobicContact CB-CB 4.22Å
366V89.4Confident87.1Confident4 Ų437 Ų372%0.02421%0.211CC..BIsolated β-bridgetrans-79.2125.8-178.5-1720000110.7V364 Q370 V371 I374 C396 R397 A399V364-V366 PolarHBondContact O-N 3.42Å; V366-Q370 VanDerWaalsContact CA-OE1 3.29Å; V366-Q370 HydrophobicContact CG1-CB 3.58Å; V366-V371 HydrophobicContact CB-CG2 4.37Å; V366-V371 HydrophobicContact CG1-CG2 3.69Å; V366-I374 HydrophobicContact CG1-CD1 3.84Å; V366-C396 HydrophobicContact CG2-CB 3.81Å; V366-R397 PolarHBondContact N-O 3.38Å; V366-A399 VanDerWaalsContact O-CB 3.25Å; V366-A399 WeakPolarHBondContact O-CB 3.29Å; V366-A399 PolarHBondContact O-N 2.86Å
367K89.7Confident87.2Confident87 Ų8737.8 Ų37.838%0.37822%0.218SC..PPolyproline II helixtrans-74.8158.8179-50.8169.2-160.1158.70111.1D336 E369 Q370 V371D336-K367 IonicContact OD1-NZ 3.32Å; D336-K367 PolarHBondContact OD1-NZ 2.99Å; D336-K367 IonicContact OD2-NZ 2.62Å; D336-K367 PolarHBondContact OD2-NZ 3.08Å; K367-E369 VanDerWaalsContact C-N 3.26Å; K367-E369 PolarHBondContact O-N 2.95Å; K367-Q370 HydrophobicContact CB-CG 4.2Å; K367-Q370 HydrophobicContact CD-CG 4.5Å; K367-Q370 PolarHBondContact O-N 2.92Å; K367-V371 WeakPolarHBondContact O-CG2 3.47Å; K367-V371 PolarHBondContact O-N 3.22Å
368S86.2Confident87.2Confident49 Ų4937.5 Ų37.534%0.34322%0.216SC..Hα-helixtrans-62.6-29.8-177.2-163.10000114.2S372 C403S368-S372 PolarHBondContact O-N 3.44Å; S368-C403 VanDerWaalsContact CA-SG 3.56Å; S368-C403 PolarHBondContact N-SG 3.41Å; S368-C403 VanDerWaalsContact N-SG 3.38Å
369E86.9Confident87.1Confident145 Ų14538.4 Ų38.468%0.67823%0.225SC*.Hα-helixtrans-72.2-46.6175.7-177.3167.6-147.600111.3K367 V371 S372 I373K367-E369 VanDerWaalsContact C-N 3.26Å; K367-E369 PolarHBondContact O-N 2.95Å; E369-V371 VanDerWaalsContact C-N 3.26Å; E369-V371 PolarHBondContact O-N 3.49Å; E369-S372 PolarHBondContact O-N 2.87Å; E369-S372 PolarHBondContact O-OG 3.23Å; E369-I373 PolarHBondContact O-N 2.88Å; E369-I373 VanDerWaalsContact O-N 3.14Å
370Q90.9Very high87Confident4 Ų438 Ų382%0.01922%0.216CC..Hα-helixtrans-58-38.7172.7-63.3167.6-17.400111.7Q335 D336 V339 V366 K367 S372 I373 I374Q335-Q370 VanDerWaalsContact CD-NE2 3.31Å; D336-Q370 PolarHBondContact OD1-NE2 3.31Å; V339-Q370 HydrophobicContact CG1-CB 4.29Å; V339-Q370 HydrophobicContact CG1-CG 4.43Å; V339-Q370 HydrophobicContact CG2-CB 4.18Å; V339-Q370 HydrophobicContact CG2-CG 4.17Å; V366-Q370 VanDerWaalsContact CA-OE1 3.29Å; V366-Q370 HydrophobicContact CG1-CB 3.58Å; K367-Q370 HydrophobicContact CB-CG 4.2Å; K367-Q370 HydrophobicContact CD-CG 4.5Å; K367-Q370 PolarHBondContact O-N 2.92Å; Q370-S372 VanDerWaalsContact C-N 3.35Å; Q370-S372 PolarHBondContact O-N 3.06Å; Q370-I373 PolarHBondContact O-N 3.42Å; Q370-I374 WeakPolarHBondContact O-CD1 3.35Å; Q370-I374 WeakPolarHBondContact O-CG1 3.33Å; Q370-I374 PolarHBondContact O-N 3.47Å
371V92.5Very high87.3Confident1 Ų140.9 Ų40.91%0.00625%0.246CC..Hα-helixtrans-61.2-39.5174.6171.20000112.2V366 K367 E369 T375 L398 C403 L407V366-V371 HydrophobicContact CB-CG2 4.37Å; V366-V371 HydrophobicContact CG1-CG2 3.69Å; K367-V371 WeakPolarHBondContact O-CG2 3.47Å; K367-V371 PolarHBondContact O-N 3.22Å; E369-V371 VanDerWaalsContact C-N 3.26Å; E369-V371 PolarHBondContact O-N 3.49Å; V371-T375 HydrophobicContact CG1-CG2 4.32Å; V371-T375 WeakPolarHBondContact O-CB 3.43Å; V371-T375 WeakPolarHBondContact O-CG2 3.18Å; V371-T375 PolarHBondContact O-N 3.47Å; V371-T375 PolarHBondContact O-OG1 3.35Å; V371-L398 HydrophobicContact CG2-CD2 3.94Å; V371-C403 HydrophobicContact CG2-CB 4.19Å; V371-L407 HydrophobicContact CG1-CB 3.8Å
372S90.4Very high88.1Confident57 Ų5741.8 Ų41.840%0.39925%0.251SS..Hα-helixtrans-68.6-36.7178.276.60000111.6S368 E369 Q370 T375 S376S368-S372 PolarHBondContact O-N 3.44Å; E369-S372 PolarHBondContact O-N 2.87Å; E369-S372 PolarHBondContact O-OG 3.23Å; Q370-S372 VanDerWaalsContact C-N 3.35Å; Q370-S372 PolarHBondContact O-N 3.06Å; S372-T375 WeakPolarHBondContact CA-OG1 3.48Å; S372-T375 PolarHBondContact O-OG1 2.68Å; S372-S376 WeakPolarHBondContact O-CB 3.44Å; S372-S376 PolarHBondContact O-N 3.09Å
373I91.8Very high88.7Confident40 Ų4038.8 Ų38.821%0.20524%0.241CC..Hα-helixtrans-64.4-52.6173.2-58.3167.9000110.6V339 T343 E369 Q370 T375 S376 A377V339-I373 HydrophobicContact CG1-CB 3.76Å; V339-I373 HydrophobicContact CG1-CD1 3.81Å; V339-I373 HydrophobicContact CG1-CG1 4.39Å; V339-I373 HydrophobicContact CG1-CG2 3.67Å; T343-I373 HydrophobicContact CG2-CG2 3.87Å; E369-I373 PolarHBondContact O-N 2.88Å; E369-I373 VanDerWaalsContact O-N 3.14Å; Q370-I373 PolarHBondContact O-N 3.42Å; I373-T375 VanDerWaalsContact C-N 3.29Å; I373-T375 PolarHBondContact O-N 2.82Å; I373-S376 PolarHBondContact O-N 3.13Å; I373-S376 VanDerWaalsContact O-N 3.09Å; I373-S376 PolarHBondContact O-OG 3.45Å; I373-A377 PolarHBondContact O-N 3.27Å; I373-A377 VanDerWaalsContact O-N 3.11Å
374I93Very high89.4Confident2 Ų242.8 Ų42.81%0.0125%0.254CS..Hα-helixtrans-61.4-37.1-178.8-61.3158.3000111.3V339 L342 V366 Q370 L389 L392 L393V339-I374 HydrophobicContact CG1-CG1 4.46Å; V339-I374 HydrophobicContact CG2-CD1 4.3Å; V339-I374 HydrophobicContact CG2-CG1 4.45Å; L342-I374 HydrophobicContact CD1-CB 4.21Å; L342-I374 HydrophobicContact CD1-CG1 3.6Å; L342-I374 HydrophobicContact CD1-CG2 4.37Å; V366-I374 HydrophobicContact CG1-CD1 3.84Å; Q370-I374 WeakPolarHBondContact O-CD1 3.35Å; Q370-I374 WeakPolarHBondContact O-CG1 3.33Å; Q370-I374 PolarHBondContact O-N 3.47Å; I374-L389 HydrophobicContact CG2-CD2 4.03Å; I374-L392 HydrophobicContact CG2-CD2 4.17Å; I374-L393 HydrophobicContact CB-CD2 4.4Å; I374-L393 HydrophobicContact CG2-CD1 4.3Å; I374-L393 HydrophobicContact CG2-CD2 3.64Å; I374-L393 HydrophobicContact CG2-CG 3.94Å
375T92.6Very high89.8Confident17 Ų1742.8 Ų42.810%0.10425%0.254CS..Hα-helixtrans-76.1-30.7175.452.20000113.2V371 S372 I373 A377 L378 L393V371-T375 HydrophobicContact CG1-CG2 4.32Å; V371-T375 WeakPolarHBondContact O-CB 3.43Å; V371-T375 WeakPolarHBondContact O-CG2 3.18Å; V371-T375 PolarHBondContact O-N 3.47Å; V371-T375 PolarHBondContact O-OG1 3.35Å; S372-T375 WeakPolarHBondContact CA-OG1 3.48Å; S372-T375 PolarHBondContact O-OG1 2.68Å; I373-T375 VanDerWaalsContact C-N 3.29Å; I373-T375 PolarHBondContact O-N 2.82Å; T375-A377 VanDerWaalsContact C-N 3.25Å; T375-A377 PolarHBondContact O-N 3.38Å; T375-L378 HydrophobicContact CG2-CD1 4.34Å; T375-L378 VanDerWaalsContact O-CB 3.27Å; T375-L378 WeakPolarHBondContact O-CB 3.48Å; T375-L378 PolarHBondContact O-N 2.86Å; T375-L393 HydrophobicContact CG2-CD1 4.32Å
376S91.8Very high90.1Very high71 Ų7140.3 Ų40.350%0.49724%0.237SC..Hα-helixtrans-61.7-36171.180.70000111.6S372 I373 L378 A379S372-S376 WeakPolarHBondContact O-CB 3.44Å; S372-S376 PolarHBondContact O-N 3.09Å; I373-S376 PolarHBondContact O-N 3.13Å; I373-S376 VanDerWaalsContact O-N 3.09Å; I373-S376 PolarHBondContact O-OG 3.45Å; S376-L378 PolarHBondContact O-N 3.32Å; S376-L378 VanDerWaalsContact O-N 3.14Å; S376-A379 VanDerWaalsContact O-CB 3.22Å; S376-A379 WeakPolarHBondContact O-CB 3.25Å; S376-A379 PolarHBondContact O-N 3.39Å
377A92.2Very high90.3Very high17 Ų1747.1 Ų47.114%0.1426%0.262CS..G310 helixtrans-64.3-14.8174.700000113.8I373 T375 A379 E380 L389I373-A377 PolarHBondContact O-N 3.27Å; I373-A377 VanDerWaalsContact O-N 3.11Å; T375-A377 VanDerWaalsContact C-N 3.25Å; T375-A377 PolarHBondContact O-N 3.38Å; A377-A379 PolarHBondContact O-N 2.79Å; A377-E380 WeakPolarHBondContact O-CB 3.19Å; A377-E380 PolarHBondContact O-N 3.18Å; A377-L389 HydrophobicContact CB-CD1 3.76Å; A377-L389 HydrophobicContact CB-CD2 4.37Å; A377-L389 WeakPolarHBondContact O-CD1 3.47Å
378L92.3Very high90.4Very high3 Ų347.7 Ų47.72%0.01626%0.262CS..G310 helixtrans-71.1-5.2170.1-63.1171.1000113.6T375 S376 R386 L389 L393 L411 N414T375-L378 HydrophobicContact CG2-CD1 4.34Å; T375-L378 VanDerWaalsContact O-CB 3.27Å; T375-L378 WeakPolarHBondContact O-CB 3.48Å; T375-L378 PolarHBondContact O-N 2.86Å; S376-L378 PolarHBondContact O-N 3.32Å; S376-L378 VanDerWaalsContact O-N 3.14Å; L378-R386 VanDerWaalsContact O-CD 3.24Å; L378-R386 WeakPolarHBondContact O-CD 3.46Å; L378-L389 HydrophobicContact CD2-CB 3.49Å; L378-L389 VanDerWaalsContact CD2-CB 3.49Å; L378-L389 HydrophobicContact CD2-CD1 3.95Å; L378-L389 HydrophobicContact CD2-CG 4.37Å; L378-L389 HydrophobicContact CG-CB 4.48Å; L378-L389 HydrophobicContact CG-CD1 4.45Å; L378-L393 HydrophobicContact CD1-CD1 4.03Å; L378-L411 HydrophobicContact CD1-CD2 3.93Å; L378-N414 HydrophobicContact CB-CB 3.95Å; L378-N414 HydrophobicContact CD1-CB 4.17Å; L378-N414 PolarHBondContact O-ND2 2.92Å
379A87.1Confident90.8Very high40 Ų4045.3 Ų45.333%0.33125%0.245SC..G310 helixtrans-76.5-9170.600000113.8S376 A377 R417 Y418S376-A379 VanDerWaalsContact O-CB 3.22Å; S376-A379 WeakPolarHBondContact O-CB 3.25Å; S376-A379 PolarHBondContact O-N 3.39Å; A377-A379 PolarHBondContact O-N 2.79Å; A379-R417 PolarHBondContact O-NH2 3.31Å; A379-Y418 PolarHBondContact O-OH 2.95Å
380E81.3Confident91.2Very high33 Ų3338.6 Ų38.615%0.15421%0.214CC..  trans-51.3134.9178.8179.388.8-91.700113.3R350 A377 S382 I385 R386R350-E380 IonicContact CZ-OE1 3.26Å; R350-E380 IonicContact CZ-OE2 3.78Å; R350-E380 IonicContact NE-OE1 2.75Å; R350-E380 IonicContact NE-OE2 2.7Å; R350-E380 PolarHBondContact NE-OE2 2.97Å; R350-E380 IonicContact NH2-OE1 3.81Å; R350-E380 PolarHBondContact NH2-OE1 3.21Å; R350-E380 IonicContact NH2-OE2 2.82Å; R350-E380 PolarHBondContact NH2-OE2 2.87Å; A377-E380 WeakPolarHBondContact O-CB 3.19Å; A377-E380 PolarHBondContact O-N 3.18Å; E380-S382 VanDerWaalsContact C-N 3.26Å; E380-S382 PolarHBondContact O-N 2.96Å; E380-I385 HydrophobicContact CB-CG2 4.48Å; E380-I385 HydrophobicContact CG-CB 3.99Å; E380-I385 HydrophobicContact CG-CD1 4.3Å; E380-I385 HydrophobicContact CG-CG2 3.94Å; E380-I385 VanDerWaalsContact OE2-CD1 3.28Å; E380-I385 WeakPolarHBondContact OE2-CD1 3.38Å; E380-R386 HydrophobicContact CB-CG 4.25Å; E380-R386 VanDerWaalsContact O-CD 3.23Å; E380-R386 WeakPolarHBondContact O-CD 3.2Å; E380-R386 PolarHBondContact O-NH1 3.17Å
381G84.8Confident91.3Very high61 Ų6142 Ų4263%0.62923%0.23SC*.SBendtrans-67-26.2177.300000113.9G383 R386G381-G383 PolarHBondContact O-N 2.67Å; G381-R386 PolarHBondContact O-NH1 2.75Å
382S90Very high91.3Very high23 Ų2342 Ų4216%0.16123%0.23CC..  trans-79.999.1-178.8-172.60000112.4E380 R384 I385 R386E380-S382 VanDerWaalsContact C-N 3.26Å; E380-S382 PolarHBondContact O-N 2.96Å; S382-R384 PolarHBondContact O-N 3.17Å; S382-I385 PolarHBondContact O-N 3.47Å; S382-R386 PolarHBondContact O-N 3.11Å; S382-R386 VanDerWaalsContact O-N 3.13Å
383G91.5Very high91.4Very high23 Ų2339.4 Ų39.424%0.23721%0.211CC..Hα-helixtrans-57.4-18.2174.300000114.7G381 R387G381-G383 PolarHBondContact O-N 2.67Å; G383-R387 WeakPolarHBondContact O-CB 3.17Å; G383-R387 PolarHBondContact O-N 3.48Å; G383-R387 VanDerWaalsContact O-N 3.15Å
384R91.3Very high91.4Very high162 Ų16238.2 Ų38.261%0.61121%0.206SC*.Hα-helixtrans-66.3-40.7170.2-175-176.1-176.7-163.63.4111.9S382 R388S382-R384 PolarHBondContact O-N 3.17Å; R384-R388 PolarHBondContact O-N 2.86Å
385I91.8Very high91.3Very high2 Ų240.9 Ų40.91%0.0122%0.219CC..Hα-helixtrans-76.3-45.4177.6-73.7172.8000110.1Q347 L351 E380 S382 R387 R388 L389Q347-I385 HydrophobicContact CG-CD1 3.42Å; Q347-I385 VanDerWaalsContact CG-CD1 3.42Å; L351-I385 HydrophobicContact CB-CD1 4.1Å; L351-I385 HydrophobicContact CB-CG1 4.07Å; L351-I385 HydrophobicContact CD1-CG1 3.98Å; L351-I385 HydrophobicContact CG-CG1 4.45Å; E380-I385 HydrophobicContact CB-CG2 4.48Å; E380-I385 HydrophobicContact CG-CB 3.99Å; E380-I385 HydrophobicContact CG-CD1 4.3Å; E380-I385 HydrophobicContact CG-CG2 3.94Å; E380-I385 VanDerWaalsContact OE2-CD1 3.28Å; E380-I385 WeakPolarHBondContact OE2-CD1 3.38Å; S382-I385 PolarHBondContact O-N 3.47Å; I385-R387 VanDerWaalsContact C-N 3.34Å; I385-R387 PolarHBondContact O-N 3.4Å; I385-R388 CarbonylContact O-C 3.57Å; I385-R388 WeakPolarHBondContact O-CA 3.35Å; I385-R388 WeakPolarHBondContact O-CB 3.48Å; I385-R388 PolarHBondContact O-N 3.32Å; I385-L389 HydrophobicContact CG2-CD1 3.8Å; I385-L389 HydrophobicContact CG2-CG 4.19Å; I385-L389 PolarHBondContact O-N 3.14Å
386R93.9Very high91.1Very high6 Ų640.3 Ų40.32%0.02322%0.215CC..Hα-helixtrans-54.2-48.6177.9-60.7-164.9-54.8-108.77.5112L378 E380 G381 S382 R388 L389 H390 Y418 E420 D421L378-R386 VanDerWaalsContact O-CD 3.24Å; L378-R386 WeakPolarHBondContact O-CD 3.46Å; E380-R386 HydrophobicContact CB-CG 4.25Å; E380-R386 VanDerWaalsContact O-CD 3.23Å; E380-R386 WeakPolarHBondContact O-CD 3.2Å; E380-R386 PolarHBondContact O-NH1 3.17Å; G381-R386 PolarHBondContact O-NH1 2.75Å; S382-R386 PolarHBondContact O-N 3.11Å; S382-R386 VanDerWaalsContact O-N 3.13Å; R386-R388 PolarHBondContact O-N 3.23Å; R386-L389 WeakPolarHBondContact O-CB 3.48Å; R386-L389 PolarHBondContact O-N 2.96Å; R386-L389 VanDerWaalsContact O-N 3.12Å; R386-H390 VanDerWaalsContact O-CG 3.32Å; R386-H390 PolarHBondContact O-N 3.12Å; R386-H390 PolarHBondContact O-ND1 3.24Å; R386-H390 VanDerWaalsContact O-ND1 3.11Å; R386-Y418 VanDerWaalsContact NH1-CE1 3.35Å; R386-E420 IonicContact CZ-OE1 2.89Å; R386-E420 IonicContact NH2-OE1 3.9Å; R386-E420 PolarHBondContact NH2-OE1 3.18Å; R386-D421 IonicContact CZ-OD2 2.88Å; R386-D421 IonicContact NE-OD2 2.66Å; R386-D421 PolarHBondContact NE-OD2 2.71Å; R386-D421 IonicContact NH2-OD2 2.72Å; R386-D421 PolarHBondContact NH2-OD2 3.3Å
387R93.8Very high91Very high147 Ų14744 Ų4456%0.55522%0.218SC*.Hα-helixtrans-57.2-33.4173.2-172.3-177.3-53.2163.66.8113.8G383 I385 H391 N424G383-R387 WeakPolarHBondContact O-CB 3.17Å; G383-R387 PolarHBondContact O-N 3.48Å; G383-R387 VanDerWaalsContact O-N 3.15Å; I385-R387 VanDerWaalsContact C-N 3.34Å; I385-R387 PolarHBondContact O-N 3.4Å; R387-H391 PolarHBondContact O-N 3.43Å; R387-N424 HydrophobicContact CG-CB 4.46Å
388R93Very high91Very high98 Ų9843.7 Ų43.737%0.3721%0.214SC..Hα-helixtrans-78.6-34.2178.1-160.364.1167.9166.4-0.2111.9L351 V354 R384 I385 R386 H391 L392L351-R388 HydrophobicContact CD1-CG 4.43Å; V354-R388 HydrophobicContact CB-CG 4.43Å; V354-R388 HydrophobicContact CG1-CB 4.04Å; V354-R388 HydrophobicContact CG1-CG 3.64Å; R384-R388 PolarHBondContact O-N 2.86Å; I385-R388 CarbonylContact O-C 3.57Å; I385-R388 WeakPolarHBondContact O-CA 3.35Å; I385-R388 WeakPolarHBondContact O-CB 3.48Å; I385-R388 PolarHBondContact O-N 3.32Å; R386-R388 PolarHBondContact O-N 3.23Å; R388-H391 PolarHBondContact NH1-CD2 3.14Å; R388-H391 WeakPolarHBondContact O-CB 3.49Å; R388-H391 PolarHBondContact O-N 2.95Å; R388-L392 PolarHBondContact O-N 3.48Å
389L94.3Very high90.9Very high0 Ų046 Ų460%023%0.234CC..Hα-helixtrans-66.1-41.3169.5-73.5166.4000111.7L342 V354 I374 A377 L378 I385 R386 H391 L392 L393L342-L389 HydrophobicContact CD1-CD2 4.44Å; L342-L389 HydrophobicContact CD2-CD2 4.43Å; V354-L389 HydrophobicContact CG1-CD2 4.27Å; V354-L389 HydrophobicContact CG1-CG 4.47Å; V354-L389 HydrophobicContact CG2-CD2 3.59Å; V354-L389 HydrophobicContact CG2-CG 3.97Å; I374-L389 HydrophobicContact CG2-CD2 4.03Å; A377-L389 HydrophobicContact CB-CD1 3.76Å; A377-L389 HydrophobicContact CB-CD2 4.37Å; A377-L389 WeakPolarHBondContact O-CD1 3.47Å; L378-L389 HydrophobicContact CD2-CB 3.49Å; L378-L389 VanDerWaalsContact CD2-CB 3.49Å; L378-L389 HydrophobicContact CD2-CD1 3.95Å; L378-L389 HydrophobicContact CD2-CG 4.37Å; L378-L389 HydrophobicContact CG-CB 4.48Å; L378-L389 HydrophobicContact CG-CD1 4.45Å; I385-L389 HydrophobicContact CG2-CD1 3.8Å; I385-L389 HydrophobicContact CG2-CG 4.19Å; I385-L389 PolarHBondContact O-N 3.14Å; R386-L389 WeakPolarHBondContact O-CB 3.48Å; R386-L389 PolarHBondContact O-N 2.96Å; R386-L389 VanDerWaalsContact O-N 3.12Å; L389-H391 VanDerWaalsContact C-N 3.26Å; L389-H391 PolarHBondContact O-N 2.77Å; L389-L392 HydrophobicContact CD2-CD2 4.33Å; L389-L392 WeakPolarHBondContact O-CB 3.32Å; L389-L392 PolarHBondContact O-N 3.3Å; L389-L393 WeakPolarHBondContact O-CB 3.31Å; L389-L393 WeakPolarHBondContact O-CG 3.45Å; L389-L393 PolarHBondContact O-N 3.37Å
390H94.9Very high91.2Very high3 Ų346.1 Ų46.11%0.01423%0.232CC..Hα-helixtrans-59-39170.8-60.7133.8000111.5R386 S394 N414 N424 C428R386-H390 VanDerWaalsContact O-CG 3.32Å; R386-H390 PolarHBondContact O-N 3.12Å; R386-H390 PolarHBondContact O-ND1 3.24Å; R386-H390 VanDerWaalsContact O-ND1 3.11Å; H390-S394 VanDerWaalsContact O-CB 3.31Å; H390-S394 WeakPolarHBondContact O-CB 3.47Å; H390-S394 PolarHBondContact O-N 3.26Å; H390-N414 PolarHBondContact CE1-OD1 2.83Å; H390-N414 PolarHBondContact NE2-OD1 3.32Å; H390-N424 HydrophobicContact CB-CB 4.42Å; H390-C428 HydrophobicContact CB-CB 4.2Å; H390-C428 PolarHBondContact O-SG 3.26Å
391H93.1Very high91.7Very high77 Ų7745.2 Ų45.236%0.35623%0.231SC..Hα-helixtrans-68.8-43.1176.1-171.351.3000112.2R387 R388 L389 S394 Q395R387-H391 PolarHBondContact O-N 3.43Å; R388-H391 PolarHBondContact NH1-CD2 3.14Å; R388-H391 WeakPolarHBondContact O-CB 3.49Å; R388-H391 PolarHBondContact O-N 2.95Å; L389-H391 VanDerWaalsContact C-N 3.26Å; L389-H391 PolarHBondContact O-N 2.77Å; H391-S394 WeakPolarHBondContact O-CB 3.29Å; H391-S394 PolarHBondContact O-N 2.77Å; H391-S394 PolarHBondContact O-OG 3.09Å; H391-Q395 PolarHBondContact O-N 3.13Å
392L92.4Very high92.1Very high0 Ų046.3 Ų46.30%023%0.226CC..Hα-helixtrans-54.8-56.1171.9170.963.1000111.4V354 L357 I374 R388 L389 S394 Q395 C396V354-L392 HydrophobicContact CG1-CB 4.14Å; V354-L392 HydrophobicContact CG1-CD2 4.15Å; L357-L392 VanDerWaalsContact C-CD1 3.43Å; L357-L392 HydrophobicContact CB-CD1 3.63Å; L357-L392 HydrophobicContact CB-CD2 3.8Å; L357-L392 HydrophobicContact CB-CG 4.39Å; L357-L392 HydrophobicContact CD1-CD2 4Å; I374-L392 HydrophobicContact CG2-CD2 4.17Å; R388-L392 PolarHBondContact O-N 3.48Å; L389-L392 HydrophobicContact CD2-CD2 4.33Å; L389-L392 WeakPolarHBondContact O-CB 3.32Å; L389-L392 PolarHBondContact O-N 3.3Å; L392-S394 PolarHBondContact O-N 3.17Å; L392-Q395 PolarHBondContact O-N 2.9Å; L392-C396 WeakPolarHBondContact CD1-SG 3.21Å; L392-C396 PolarHBondContact O-N 3.33Å; L392-C396 PolarHBondContact O-SG 2.88Å
393L93Very high92.2Very high3 Ų345.2 Ų45.22%0.01622%0.219CC..Hα-helixtrans-60.2-27.6179.2-70.5171.4000112.6I374 T375 L378 L389 Q395 L407 L411 V432I374-L393 HydrophobicContact CB-CD2 4.4Å; I374-L393 HydrophobicContact CG2-CD1 4.3Å; I374-L393 HydrophobicContact CG2-CD2 3.64Å; I374-L393 HydrophobicContact CG2-CG 3.94Å; T375-L393 HydrophobicContact CG2-CD1 4.32Å; L378-L393 HydrophobicContact CD1-CD1 4.03Å; L389-L393 WeakPolarHBondContact O-CB 3.31Å; L389-L393 WeakPolarHBondContact O-CG 3.45Å; L389-L393 PolarHBondContact O-N 3.37Å; L393-Q395 VanDerWaalsContact C-N 3.26Å; L393-Q395 PolarHBondContact O-N 3.19Å; L393-L407 HydrophobicContact CB-CD1 4.42Å; L393-L407 HydrophobicContact CD2-CD1 3.89Å; L393-L407 HydrophobicContact CD2-CG 4.34Å; L393-L411 HydrophobicContact CD1-CD2 4.33Å; L393-V432 WeakPolarHBondContact O-CG2 3Å
394S92.3Very high92.4Very high14 Ų1444.1 Ų44.110%0.09821%0.208CC..Hα-helixtrans-70.9-17.317580.80000114.3H390 H391 L392 S431 N435H390-S394 VanDerWaalsContact O-CB 3.31Å; H390-S394 WeakPolarHBondContact O-CB 3.47Å; H390-S394 PolarHBondContact O-N 3.26Å; H391-S394 WeakPolarHBondContact O-CB 3.29Å; H391-S394 PolarHBondContact O-N 2.77Å; H391-S394 PolarHBondContact O-OG 3.09Å; L392-S394 PolarHBondContact O-N 3.17Å; S394-S431 WeakPolarHBondContact O-CB 3.47Å; S394-S431 PolarHBondContact O-OG 3.21Å; S394-N435 PolarHBondContact O-ND2 3.1Å; S394-N435 VanDerWaalsContact O-ND2 3.15Å
395Q89.8Confident92.4Very high59 Ų5938.6 Ų38.628%0.27619%0.19SC..Hα-helixtrans-110.4-37.3-176.4-67.3175-54.100112.6H391 L392 L393 R397H391-Q395 PolarHBondContact O-N 3.13Å; L392-Q395 PolarHBondContact O-N 2.9Å; L393-Q395 VanDerWaalsContact C-N 3.26Å; L393-Q395 PolarHBondContact O-N 3.19Å; Q395-R397 PolarHBondContact O-N 3.48Å
396C88.1Confident92.5Very high4 Ų440.2 Ų40.23%0.02720%0.201CC..PPolyproline II helixtrans-48129.4178.7-75.10000113.4V366 L392 H436V366-C396 HydrophobicContact CG2-CB 3.81Å; L392-C396 WeakPolarHBondContact CD1-SG 3.21Å; L392-C396 PolarHBondContact O-N 3.33Å; L392-C396 PolarHBondContact O-SG 2.88Å; C396-H436 PolarHBondContact O-CE1 3.13Å
397R89.3Confident92.5Very high148 Ų14840 Ų4056%0.55820%0.2SC*.PPolyproline II helixtrans-75.9135.5165.3-62.7-178.971.7-172.74109.4G361 D362 P365 V366 Q395 H436G361-R397 PolarHBondContact O-N 2.94Å; D362-R397 WeakPolarHBondContact O-CD 3.36Å; P365-R397 CarbonylContact C-O 3.59Å; P365-R397 WeakPolarHBondContact CA-O 3.35Å; V366-R397 PolarHBondContact N-O 3.38Å; Q395-R397 PolarHBondContact O-N 3.48Å; R397-H436 WeakPolarHBondContact CA-NE2 3.1Å
398L92.1Very high92.5Very high11 Ų1133.4 Ų33.46%0.05818%0.176CC..BIsolated β-bridgetrans-91.7146.1176.7-61.5175.5000111V371 C403 L404 L407 V432 H436 F439V371-L398 HydrophobicContact CG2-CD2 3.94Å; L398-C403 HydrophobicContact CB-CB 4.19Å; L398-C403 HydrophobicContact CD2-CB 4.12Å; L398-L404 HydrophobicContact CD1-CB 3.95Å; L398-L404 HydrophobicContact CD1-CD1 4.03Å; L398-L407 HydrophobicContact CD1-CD1 4.33Å; L398-L407 HydrophobicContact CD2-CD1 3.95Å; L398-V432 HydrophobicContact CD1-CG1 4.27Å; L398-H436 PolarHBondContact N-NE2 2.98Å; L398-F439 HydrophobicContact CB-CD2 4.21Å; L398-F439 HydrophobicContact CB-CE2 3.97Å; L398-F439 WeakPolarHBondContact O-CE2 3.4Å
399A91.8Very high92.5Very high51 Ų5132.6 Ų32.642%0.42118%0.179SC..SBendtrans-78.6-28.417900000114P365 V366P365-A399 HydrophobicContact CB-CB 4.22Å; V366-A399 VanDerWaalsContact O-CB 3.25Å; V366-A399 WeakPolarHBondContact O-CB 3.29Å; V366-A399 PolarHBondContact O-N 2.86Å
400S93.1Very high92.5Very high44 Ų4433 Ų3331%0.30818%0.183SC..SBendtrans-161.2165.8-175.768.30000113.4C403S400-C403 WeakPolarHBondContact O-CB 3.46Å; S400-C403 PolarHBondContact O-N 3.47Å; S400-C403 PolarHBondContact OG-SG 3.39Å
401A92.2Very high92.5Very high14 Ų1432.8 Ų32.812%0.11618%0.182CC..Hα-helixtrans-61-37.4179.600000115C403 L404 I405 F439 T442A401-C403 PolarHBondContact O-N 3.13Å; A401-L404 VanDerWaalsContact O-CB 3.3Å; A401-L404 WeakPolarHBondContact O-CB 3.45Å; A401-L404 PolarHBondContact O-N 3.06Å; A401-I405 PolarHBondContact O-N 3.21Å; A401-F439 HydrophobicContact CB-CB 3.98Å; A401-F439 HydrophobicContact CB-CD1 4.02Å; A401-F439 HydrophobicContact CB-CG 4.14Å; A401-T442 HydrophobicContact CB-CG2 4.05Å
402P91.5Very high92.5Very high83 Ų8330.2 Ų30.254%0.53917%0.171SC..Hα-helixtrans-56.1-32.3169.2-29.736.9000114.6L404 I405 S406P402-L404 VanDerWaalsContact C-N 3.27Å; P402-L404 PolarHBondContact O-N 2.55Å; P402-I405 PolarHBondContact O-N 2.9Å; P402-S406 PolarHBondContact O-N 3.36Å
403C93.1Very high92.6Very high1 Ų136.2 Ų36.21%0.00720%0.199CC..Hα-helixtrans-63.7-34.2176.1-520000111.6S368 V371 L398 S400 A401 L407S368-C403 VanDerWaalsContact CA-SG 3.56Å; S368-C403 PolarHBondContact N-SG 3.41Å; S368-C403 VanDerWaalsContact N-SG 3.38Å; V371-C403 HydrophobicContact CG2-CB 4.19Å; L398-C403 HydrophobicContact CB-CB 4.19Å; L398-C403 HydrophobicContact CD2-CB 4.12Å; S400-C403 WeakPolarHBondContact O-CB 3.46Å; S400-C403 PolarHBondContact O-N 3.47Å; S400-C403 PolarHBondContact OG-SG 3.39Å; A401-C403 PolarHBondContact O-N 3.13Å; C403-L407 VanDerWaalsContact O-CB 3.24Å; C403-L407 WeakPolarHBondContact O-CB 3.45Å; C403-L407 PolarHBondContact O-N 3.03Å
404L94.7Very high92.7Very high0 Ų036.4 Ų36.40%020%0.2CC..Hα-helixtrans-66.7-40.9177.2-176.2107.7000111.6L398 A401 P402 L408 V432 H436 F439 V440 C443 L447 L472L398-L404 HydrophobicContact CD1-CB 3.95Å; L398-L404 HydrophobicContact CD1-CD1 4.03Å; A401-L404 VanDerWaalsContact O-CB 3.3Å; A401-L404 WeakPolarHBondContact O-CB 3.45Å; A401-L404 PolarHBondContact O-N 3.06Å; P402-L404 VanDerWaalsContact C-N 3.27Å; P402-L404 PolarHBondContact O-N 2.55Å; L404-L408 WeakPolarHBondContact O-CB 3.11Å; L404-L408 PolarHBondContact O-N 3.32Å; L404-V432 HydrophobicContact CD1-CG1 3.83Å; L404-H436 HydrophobicContact CD1-CB 3.96Å; L404-F439 HydrophobicContact CB-CB 4.37Å; L404-F439 HydrophobicContact CD1-CB 4.36Å; L404-F439 HydrophobicContact CD2-CB 4.47Å; L404-V440 HydrophobicContact CD1-CG2 3.89Å; L404-V440 HydrophobicContact CD2-CG2 4Å; L404-C443 HydrophobicContact CD2-CB 4.22Å; L404-L447 HydrophobicContact CD2-CD1 4.3Å; L404-L472 HydrophobicContact CD1-CD1 4.44Å; L404-L472 HydrophobicContact CD2-CD2 4.35Å
405I92.9Very high92.7Very high46 Ų4636.4 Ų36.424%0.23620%0.198CC..Hα-helixtrans-65.7-49.2175.1-60.9-58.3000110.6A401 P402 L407 L408 D409 C443 L447A401-I405 PolarHBondContact O-N 3.21Å; P402-I405 PolarHBondContact O-N 2.9Å; I405-L407 VanDerWaalsContact C-N 3.31Å; I405-L407 PolarHBondContact O-N 3.2Å; I405-L408 PolarHBondContact O-N 2.77Å; I405-L408 VanDerWaalsContact O-N 3.11Å; I405-D409 PolarHBondContact O-N 3.09Å; I405-C443 HydrophobicContact CD1-CB 3.89Å; I405-C443 HydrophobicContact CG1-CB 4.48Å; I405-L447 HydrophobicContact CD1-CD2 3.8Å; I405-L447 HydrophobicContact CD1-CG 4.31Å
406S92.7Very high92.9Very high35 Ų3542.8 Ų42.825%0.24522%0.22CC..Hα-helixtrans-59.9-40.1178.6-179.20000112.5P402 G410P402-S406 PolarHBondContact O-N 3.36Å; S406-G410 PolarHBondContact O-N 3.07Å
407L94.8Very high93.2Very high1 Ų149.6 Ų49.61%0.00525%0.245CC..Hα-helixtrans-61.1-47.5173.3-176.6156.9000111.2V371 L393 L398 C403 I405 G410 L411 V432V371-L407 HydrophobicContact CG1-CB 3.8Å; L393-L407 HydrophobicContact CB-CD1 4.42Å; L393-L407 HydrophobicContact CD2-CD1 3.89Å; L393-L407 HydrophobicContact CD2-CG 4.34Å; L398-L407 HydrophobicContact CD1-CD1 4.33Å; L398-L407 HydrophobicContact CD2-CD1 3.95Å; C403-L407 VanDerWaalsContact O-CB 3.24Å; C403-L407 WeakPolarHBondContact O-CB 3.45Å; C403-L407 PolarHBondContact O-N 3.03Å; I405-L407 VanDerWaalsContact C-N 3.31Å; I405-L407 PolarHBondContact O-N 3.2Å; L407-G410 PolarHBondContact O-N 2.78Å; L407-L411 HydrophobicContact CD2-CD1 3.59Å; L407-L411 HydrophobicContact CD2-CG 4.03Å; L407-L411 WeakPolarHBondContact O-CG 3.26Å; L407-L411 PolarHBondContact O-N 3.36Å; L407-V432 HydrophobicContact CD1-CG1 4.38Å; L407-V432 HydrophobicContact CD1-CG2 4.17Å; L407-V432 HydrophobicContact CD2-CG1 4.25Å; L407-V432 HydrophobicContact CD2-CG2 4.19Å
408L94.3Very high93.4Very high9 Ų944.4 Ų44.45%0.04723%0.226CC..Hα-helixtrans-64-44.5-179.3178.662.2000112.1L404 I405 G410 L411 L412 L447 T468 V469L404-L408 WeakPolarHBondContact O-CB 3.11Å; L404-L408 PolarHBondContact O-N 3.32Å; I405-L408 PolarHBondContact O-N 2.77Å; I405-L408 VanDerWaalsContact O-N 3.11Å; L408-G410 VanDerWaalsContact C-N 3.31Å; L408-G410 PolarHBondContact O-N 2.97Å; L408-L411 PolarHBondContact O-N 2.8Å; L408-L412 HydrophobicContact CD1-CD1 4.2Å; L408-L412 HydrophobicContact CD1-CG 4.14Å; L408-L412 HydrophobicContact CG-CD1 4.11Å; L408-L412 HydrophobicContact CG-CG 4.43Å; L408-L412 WeakPolarHBondContact O-CB 3.29Å; L408-L412 VanDerWaalsContact O-CG 3.31Å; L408-L412 WeakPolarHBondContact O-CG 3.46Å; L408-L412 PolarHBondContact O-N 3.43Å; L408-L447 HydrophobicContact CD2-CD2 3.32Å; L408-T468 HydrophobicContact CD1-CG2 4.13Å; L408-V469 HydrophobicContact CD1-CG2 4.43Å; L408-V469 HydrophobicContact CD2-CG2 4.23Å
409D93.3Very high93.4Very high82 Ų8248 Ų4844%0.43925%0.25SC..Hα-helixtrans-61.9-39.4175.9-78.8-38000111.7I405 L412 Q413I405-D409 PolarHBondContact O-N 3.09Å; D409-L412 PolarHBondContact O-N 2.94Å; D409-Q413 WeakPolarHBondContact O-CB 3.32Å; D409-Q413 VanDerWaalsContact O-CG 3.27Å; D409-Q413 WeakPolarHBondContact O-CG 3.36Å; D409-Q413 PolarHBondContact O-N 3.26Å; D409-Q413 PolarHBondContact O-NE2 3.17Å
410G93.2Very high93.5Very high7 Ų751.5 Ų51.57%0.07226%0.257CS..Hα-helixtrans-63.1-43.3173.600000113.3S406 L407 L408 Q413 N414S406-G410 PolarHBondContact O-N 3.07Å; L407-G410 PolarHBondContact O-N 2.78Å; L408-G410 VanDerWaalsContact C-N 3.31Å; L408-G410 PolarHBondContact O-N 2.97Å; G410-Q413 PolarHBondContact O-N 2.77Å; G410-N414 WeakPolarHBondContact O-CB 3.46Å; G410-N414 PolarHBondContact O-N 2.78Å
411L94.8Very high93.5Very high0 Ų049.6 Ų49.60%024%0.244CC..Hα-helixtrans-61.6-47.8172.1-70.6-177.3000111.3L378 L393 L407 L408 Q413 N414 L415 L425L378-L411 HydrophobicContact CD1-CD2 3.93Å; L393-L411 HydrophobicContact CD1-CD2 4.33Å; L407-L411 HydrophobicContact CD2-CD1 3.59Å; L407-L411 HydrophobicContact CD2-CG 4.03Å; L407-L411 WeakPolarHBondContact O-CG 3.26Å; L407-L411 PolarHBondContact O-N 3.36Å; L408-L411 PolarHBondContact O-N 2.8Å; L411-Q413 VanDerWaalsContact C-N 3.28Å; L411-Q413 PolarHBondContact O-N 2.99Å; L411-N414 CarbonylContact O-C 3.59Å; L411-N414 WeakPolarHBondContact O-CA 3.34Å; L411-N414 WeakPolarHBondContact O-CB 3.02Å; L411-N414 PolarHBondContact O-N 3.08Å; L411-N414 VanDerWaalsContact O-N 3.08Å; L411-L415 PolarHBondContact O-N 3.32Å; L411-L425 HydrophobicContact CB-CD1 3.95Å; L411-L425 HydrophobicContact CB-CG 4.18Å; L411-L425 HydrophobicContact CD2-CD1 4.27Å; L411-L425 HydrophobicContact CD2-CG 4.23Å; L411-L425 WeakPolarHBondContact O-CD1 3.46Å
412L94.2Very high93.6Very high22 Ų2253.6 Ų53.612%0.11526%0.256CS..Hα-helixtrans-65.1-30.4-179-68.6178.9000112.8L408 D409 L415 R416 A465 T468L408-L412 HydrophobicContact CD1-CD1 4.2Å; L408-L412 HydrophobicContact CD1-CG 4.14Å; L408-L412 HydrophobicContact CG-CD1 4.11Å; L408-L412 HydrophobicContact CG-CG 4.43Å; L408-L412 WeakPolarHBondContact O-CB 3.29Å; L408-L412 VanDerWaalsContact O-CG 3.31Å; L408-L412 WeakPolarHBondContact O-CG 3.46Å; L408-L412 PolarHBondContact O-N 3.43Å; D409-L412 PolarHBondContact O-N 2.94Å; L412-L415 HydrophobicContact CD2-CD2 4.36Å; L412-R416 WeakPolarHBondContact O-CG 3.44Å; L412-R416 PolarHBondContact O-N 3.24Å; L412-A465 HydrophobicContact CD2-CB 3.73Å; L412-T468 HydrophobicContact CD2-CG2 4.18Å
413Q94.1Very high93.6Very high127 Ų12752.7 Ų52.759%0.59325%0.247SC*.Hα-helixtrans-68.5-44.1169.2-73.4173.859.400112D409 G410 L411 L415 R416 R417D409-Q413 WeakPolarHBondContact O-CB 3.32Å; D409-Q413 VanDerWaalsContact O-CG 3.27Å; D409-Q413 WeakPolarHBondContact O-CG 3.36Å; D409-Q413 PolarHBondContact O-N 3.26Å; D409-Q413 PolarHBondContact O-NE2 3.17Å; G410-Q413 PolarHBondContact O-N 2.77Å; L411-Q413 VanDerWaalsContact C-N 3.28Å; L411-Q413 PolarHBondContact O-N 2.99Å; Q413-L415 VanDerWaalsContact C-N 3.35Å; Q413-L415 PolarHBondContact O-N 3.2Å; Q413-R416 PolarHBondContact O-N 3.21Å; Q413-R417 PolarHBondContact O-N 2.9Å
414N93.8Very high93.6Very high6 Ų654 Ų543%0.03225%0.253CS..Hα-helixtrans-59.2-43174.1171.8-111000111.8L378 H390 G410 L411 R416 R417 Y418L378-N414 HydrophobicContact CB-CB 3.95Å; L378-N414 HydrophobicContact CD1-CB 4.17Å; L378-N414 PolarHBondContact O-ND2 2.92Å; H390-N414 PolarHBondContact CE1-OD1 2.83Å; H390-N414 PolarHBondContact NE2-OD1 3.32Å; G410-N414 WeakPolarHBondContact O-CB 3.46Å; G410-N414 PolarHBondContact O-N 2.78Å; L411-N414 CarbonylContact O-C 3.59Å; L411-N414 WeakPolarHBondContact O-CA 3.34Å; L411-N414 WeakPolarHBondContact O-CB 3.02Å; L411-N414 PolarHBondContact O-N 3.08Å; L411-N414 VanDerWaalsContact O-N 3.08Å; N414-R416 VanDerWaalsContact C-N 3.34Å; N414-R416 PolarHBondContact O-N 2.81Å; N414-R417 PolarHBondContact O-N 3.27Å; N414-R417 VanDerWaalsContact O-N 3.14Å; N414-Y418 PolarHBondContact O-N 2.88Å
415L93.9Very high93.6Very high14 Ų1454 Ų547%0.07325%0.253CS..Hα-helixtrans-61-37.6177.8-171.157.8000113.4L411 L412 Q413 R422 L425 P464L411-L415 PolarHBondContact O-N 3.32Å; L412-L415 HydrophobicContact CD2-CD2 4.36Å; Q413-L415 VanDerWaalsContact C-N 3.35Å; Q413-L415 PolarHBondContact O-N 3.2Å; L415-R422 HydrophobicContact CD1-CB 3.9Å; L415-R422 HydrophobicContact CD1-CG 4.16Å; L415-L425 HydrophobicContact CB-CD1 3.74Å; L415-L425 HydrophobicContact CD1-CD1 4.3Å; L415-L425 HydrophobicContact CD1-CD2 4.48Å; L415-L425 HydrophobicContact CD2-CD2 4.19Å; L415-L425 HydrophobicContact CG-CD1 4.45Å; L415-P464 HydrophobicContact CD2-CB 3.88Å; L415-P464 HydrophobicContact CG-CB 4.46Å
416R93Very high93.7Very high193 Ų19352.3 Ų52.373%0.72824%0.244SC*.Hα-helixtrans-71.2-29.5176.5-70.9170.9-174.2166.55.6112.9L412 Q413 N414L412-R416 WeakPolarHBondContact O-CG 3.44Å; L412-R416 PolarHBondContact O-N 3.24Å; Q413-R416 PolarHBondContact O-N 3.21Å; N414-R416 VanDerWaalsContact C-N 3.34Å; N414-R416 PolarHBondContact O-N 2.81Å
417R94Very high93.9Very high148 Ų14856.7 Ų56.756%0.55826%0.255SS*.Hα-helixtrans-89.9-32.4-177.6-174175.4166149.6-7.4112.9A379 Q413 N414A379-R417 PolarHBondContact O-NH2 3.31Å; Q413-R417 PolarHBondContact O-N 2.9Å; N414-R417 PolarHBondContact O-N 3.27Å; N414-R417 VanDerWaalsContact O-N 3.14Å
418Y94.4Very high93.9Very high38 Ų3856.7 Ų56.715%0.14926%0.255CS..  trans-136.475.2-176.7-61.2-62.7000111.1A379 R386 N414 E420 D421A379-Y418 PolarHBondContact O-OH 2.95Å; R386-Y418 VanDerWaalsContact NH1-CE1 3.35Å; N414-Y418 PolarHBondContact O-N 2.88Å; Y418-E420 WeakPolarHBondContact CA-OE2 2.88Å; Y418-E420 WeakPolarHBondContact CD1-OE1 3Å; Y418-E420 PolarHBondContact O-N 2.7Å; Y418-E420 VanDerWaalsContact O-N 3.11Å; Y418-D421 PolarHBondContact O-N 3.13Å; Y418-D421 VanDerWaalsContact O-N 3.13Å
419P92.5Very high93.9Very high86 Ų8656.3 Ų56.356%0.55825%0.253SS*.G310 helixtrans-59-22.4-179.2-23.635.1000114D421 R422P419-D421 PolarHBondContact O-N 3.35Å; P419-R422 WeakPolarHBondContact O-CB 3.25Å; P419-R422 PolarHBondContact O-N 3.26Å
420E93Very high94Very high125 Ų12552.6 Ų52.658%0.58423%0.234SC*.G310 helixtrans-65.6-19.9177.473.2-82.1-166.400113.9R386 Y418R386-E420 IonicContact CZ-OE1 2.89Å; R386-E420 IonicContact NH2-OE1 3.9Å; R386-E420 PolarHBondContact NH2-OE1 3.18Å; Y418-E420 WeakPolarHBondContact CA-OE2 2.88Å; Y418-E420 WeakPolarHBondContact CD1-OE1 3Å; Y418-E420 PolarHBondContact O-N 2.7Å; Y418-E420 VanDerWaalsContact O-N 3.11Å
421D93.4Very high94.1Very high4 Ų453.7 Ų53.72%0.02124%0.241CC..G310 helixtrans-89.80.4179.1-89.8-52.5000114.2R386 Y418 P419 D423 N424 L425R386-D421 IonicContact CZ-OD2 2.88Å; R386-D421 IonicContact NE-OD2 2.66Å; R386-D421 PolarHBondContact NE-OD2 2.71Å; R386-D421 IonicContact NH2-OD2 2.72Å; R386-D421 PolarHBondContact NH2-OD2 3.3Å; Y418-D421 PolarHBondContact O-N 3.13Å; Y418-D421 VanDerWaalsContact O-N 3.13Å; P419-D421 PolarHBondContact O-N 3.35Å; D421-D423 VanDerWaalsContact C-N 3.26Å; D421-D423 PolarHBondContact O-N 3.41Å; D421-D423 VanDerWaalsContact O-N 3.08Å; D421-N424 WeakPolarHBondContact O-CA 3.24Å; D421-N424 WeakPolarHBondContact O-CB 3.25Å; D421-N424 PolarHBondContact O-N 3.19Å; D421-N424 PolarHBondContact OD1-ND2 2.87Å; D421-L425 PolarHBondContact O-N 3.24Å
422R93.3Very high94.1Very high99 Ų9953.8 Ų53.837%0.37424%0.241SC..Hα-helixtrans-40.5-49.8-179.5-178.5-165.171.8-177.7-1.8113.5L415 P419 N424 L425 W426L415-R422 HydrophobicContact CD1-CB 3.9Å; L415-R422 HydrophobicContact CD1-CG 4.16Å; P419-R422 WeakPolarHBondContact O-CB 3.25Å; P419-R422 PolarHBondContact O-N 3.26Å; R422-N424 VanDerWaalsContact C-N 3.33Å; R422-N424 PolarHBondContact O-N 2.64Å; R422-L425 PolarHBondContact O-N 3.02Å; R422-W426 HydrophobicContact CG-CD2 3.8Å; R422-W426 HydrophobicContact CG-CE3 4.1Å; R422-W426 HydrophobicContact CG-CG 4.41Å; R422-W426 HydrophobicContact CG-CH2 4.06Å; R422-W426 HydrophobicContact CG-CZ2 3.71Å; R422-W426 HydrophobicContact CG-CZ3 4.22Å; R422-W426 WeakPolarHBondContact O-CB 3.44Å; R422-W426 VanDerWaalsContact O-CG 3.28Å; R422-W426 PolarHBondContact O-N 3.32Å
423D92.9Very high94.1Very high64 Ų6452.7 Ų52.734%0.34224%0.236SC..Hα-helixtrans-70-28.3-175.8-63.99.8000113D421 R427D421-D423 VanDerWaalsContact C-N 3.26Å; D421-D423 PolarHBondContact O-N 3.41Å; D421-D423 VanDerWaalsContact O-N 3.08Å; D423-R427 VanDerWaalsContact C-NH1 3.33Å; D423-R427 WeakPolarHBondContact O-CD 3.25Å; D423-R427 VanDerWaalsContact O-CG 3.27Å; D423-R427 WeakPolarHBondContact O-CG 3.39Å; D423-R427 PolarHBondContact O-N 3.42Å; D423-R427 PolarHBondContact O-NE 3.19Å; D423-R427 PolarHBondContact O-NH1 3.26Å; D423-R427 VanDerWaalsContact O-NH1 3.1Å
424N93Very high94.1Very high27 Ų2751.6 Ų51.614%0.14423%0.226CC..Hα-helixtrans-75.5-41.4175-58.3-37.7000110.3R387 H390 D421 R422 R427 C428R387-N424 HydrophobicContact CG-CB 4.46Å; H390-N424 HydrophobicContact CB-CB 4.42Å; D421-N424 WeakPolarHBondContact O-CA 3.24Å; D421-N424 WeakPolarHBondContact O-CB 3.25Å; D421-N424 PolarHBondContact O-N 3.19Å; D421-N424 PolarHBondContact OD1-ND2 2.87Å; R422-N424 VanDerWaalsContact C-N 3.33Å; R422-N424 PolarHBondContact O-N 2.64Å; N424-R427 PolarHBondContact O-N 2.92Å; N424-R427 PolarHBondContact OD1-NH1 3.07Å; N424-R427 VanDerWaalsContact OD1-NH1 3.13Å; N424-C428 PolarHBondContact O-N 3.42Å
425L94.4Very high94Very high0 Ų054.9 Ų54.90%024%0.244CC..Hα-helixtrans-67-40177.1179.3152.2000112.5L411 L415 D421 R422 C428 A429 T468L411-L425 HydrophobicContact CB-CD1 3.95Å; L411-L425 HydrophobicContact CB-CG 4.18Å; L411-L425 HydrophobicContact CD2-CD1 4.27Å; L411-L425 HydrophobicContact CD2-CG 4.23Å; L411-L425 WeakPolarHBondContact O-CD1 3.46Å; L415-L425 HydrophobicContact CB-CD1 3.74Å; L415-L425 HydrophobicContact CD1-CD1 4.3Å; L415-L425 HydrophobicContact CD1-CD2 4.48Å; L415-L425 HydrophobicContact CD2-CD2 4.19Å; L415-L425 HydrophobicContact CG-CD1 4.45Å; D421-L425 PolarHBondContact O-N 3.24Å; R422-L425 PolarHBondContact O-N 3.02Å; L425-C428 WeakPolarHBondContact O-CB 3.49Å; L425-C428 PolarHBondContact O-N 3.31Å; L425-A429 PolarHBondContact O-N 3.45Å; L425-T468 HydrophobicContact CD2-CG2 3.55Å; L425-T468 WeakPolarHBondContact CD2-OG1 3.49Å
426W95.3Very high94Very high11 Ų1154.9 Ų54.94%0.04224%0.243CC..Hα-helixtrans-63.3-39.9173.6-77-6.2000112.5R422 A430 L467 T468 L471 L502 L505R422-W426 HydrophobicContact CG-CD2 3.8Å; R422-W426 HydrophobicContact CG-CE3 4.1Å; R422-W426 HydrophobicContact CG-CG 4.41Å; R422-W426 HydrophobicContact CG-CH2 4.06Å; R422-W426 HydrophobicContact CG-CZ2 3.71Å; R422-W426 HydrophobicContact CG-CZ3 4.22Å; R422-W426 WeakPolarHBondContact O-CB 3.44Å; R422-W426 VanDerWaalsContact O-CG 3.28Å; R422-W426 PolarHBondContact O-N 3.32Å; W426-A430 WeakPolarHBondContact O-CB 3.3Å; W426-A430 PolarHBondContact O-N 3.07Å; W426-L467 HydrophobicContact CH2-CD1 4.39Å; W426-L467 HydrophobicContact CZ2-CB 4.12Å; W426-L467 HydrophobicContact CZ2-CD1 4.09Å; W426-T468 PolarHBondContact NE1-OG1 3.2Å; W426-L471 HydrophobicContact CB-CD1 3.65Å; W426-L471 HydrophobicContact CD2-CD1 4.01Å; W426-L471 HydrophobicContact CG-CD1 3.55Å; W426-L502 HydrophobicContact CD2-CD1 4.3Å; W426-L502 HydrophobicContact CE3-CD1 3.6Å; W426-L502 HydrophobicContact CE3-CD2 4.3Å; W426-L502 HydrophobicContact CH2-CD1 4.41Å; W426-L502 HydrophobicContact CZ3-CD1 3.68Å; W426-L502 HydrophobicContact CZ3-CD2 4.3Å; W426-L505 HydrophobicContact CB-CD1 4.04Å
427R95.4Very high94Very high128 Ų12846.7 Ų46.748%0.48322%0.215SC..Hα-helixtrans-62.4-42.1170.8-69.8165.1-165.6119.410.2111.6D423 N424 S431 L505D423-R427 VanDerWaalsContact C-NH1 3.33Å; D423-R427 WeakPolarHBondContact O-CD 3.25Å; D423-R427 VanDerWaalsContact O-CG 3.27Å; D423-R427 WeakPolarHBondContact O-CG 3.39Å; D423-R427 PolarHBondContact O-N 3.42Å; D423-R427 PolarHBondContact O-NE 3.19Å; D423-R427 PolarHBondContact O-NH1 3.26Å; D423-R427 VanDerWaalsContact O-NH1 3.1Å; N424-R427 PolarHBondContact O-N 2.92Å; N424-R427 PolarHBondContact OD1-NH1 3.07Å; N424-R427 VanDerWaalsContact OD1-NH1 3.13Å; R427-S431 PolarHBondContact O-N 2.91Å; R427-S431 VanDerWaalsContact O-N 3.11Å; R427-L505 HydrophobicContact CG-CD1 4.5Å; R427-L505 HydrophobicContact CG-CD2 3.7Å
428C95.4Very high94Very high1 Ų145.2 Ų45.21%0.00722%0.217CC..Hα-helixtrans-61.1-52.4176-176.30000111.8H390 N424 L425 A430 S431 V432H390-C428 HydrophobicContact CB-CB 4.2Å; H390-C428 PolarHBondContact O-SG 3.26Å; N424-C428 PolarHBondContact O-N 3.42Å; L425-C428 WeakPolarHBondContact O-CB 3.49Å; L425-C428 PolarHBondContact O-N 3.31Å; C428-A430 PolarHBondContact O-N 3.49Å; C428-S431 PolarHBondContact O-N 2.9Å; C428-S431 VanDerWaalsContact O-N 3.12Å; C428-V432 WeakPolarHBondContact O-CG2 3.32Å; C428-V432 PolarHBondContact O-N 3.45Å
429A95.4Very high94Very high0 Ų045.6 Ų45.60%022%0.219CC..Hα-helixtrans-59.5-43.4-179.600000112.5L425 S431 V432 G433 T468 L472L425-A429 PolarHBondContact O-N 3.45Å; A429-S431 VanDerWaalsContact C-N 3.32Å; A429-S431 PolarHBondContact O-N 3.4Å; A429-V432 PolarHBondContact O-N 2.93Å; A429-G433 PolarHBondContact O-N 3.16Å; A429-T468 HydrophobicContact CB-CG2 3.8Å; A429-L472 HydrophobicContact CB-CB 4.42Å
430A95.1Very high94.1Very high4 Ų441.5 Ų41.53%0.03319%0.193CC..Hα-helixtrans-61.7-36.4174.900000113.1W426 C428 R434 N475 L505W426-A430 WeakPolarHBondContact O-CB 3.3Å; W426-A430 PolarHBondContact O-N 3.07Å; C428-A430 PolarHBondContact O-N 3.49Å; A430-R434 PolarHBondContact O-N 3.46Å; A430-R434 PolarHBondContact O-NH1 2.78Å; A430-N475 WeakPolarHBondContact CB-ND2 3.4Å; A430-N475 WeakPolarHBondContact O-CB 3.5Å; A430-N475 VanDerWaalsContact O-CG 3.32Å; A430-L505 HydrophobicContact CB-CB 4.41Å
431S94.5Very high94.1Very high31 Ų3138.3 Ų38.322%0.21718%0.178CC..Hα-helixtrans-73.4-47175.9-160.50000112.1S394 R427 C428 A429 G433 R434 N435S394-S431 WeakPolarHBondContact O-CB 3.47Å; S394-S431 PolarHBondContact O-OG 3.21Å; R427-S431 PolarHBondContact O-N 2.91Å; R427-S431 VanDerWaalsContact O-N 3.11Å; C428-S431 PolarHBondContact O-N 2.9Å; C428-S431 VanDerWaalsContact O-N 3.12Å; A429-S431 VanDerWaalsContact C-N 3.32Å; A429-S431 PolarHBondContact O-N 3.4Å; S431-G433 VanDerWaalsContact C-N 3.28Å; S431-G433 PolarHBondContact O-N 3.34Å; S431-R434 PolarHBondContact O-N 3.33Å; S431-R434 VanDerWaalsContact O-N 3.17Å; S431-N435 WeakPolarHBondContact O-CB 3.09Å; S431-N435 PolarHBondContact O-N 3.25Å; S431-N435 PolarHBondContact O-OD1 3.2Å
432V94.8Very high94Very high1 Ų142.8 Ų42.81%0.00621%0.206CC..Hα-helixtrans-58.9-40.6178.1173.10000111.1L393 L398 L404 L407 C428 A429 N435 H436 L472L393-V432 WeakPolarHBondContact O-CG2 3Å; L398-V432 HydrophobicContact CD1-CG1 4.27Å; L404-V432 HydrophobicContact CD1-CG1 3.83Å; L407-V432 HydrophobicContact CD1-CG1 4.38Å; L407-V432 HydrophobicContact CD1-CG2 4.17Å; L407-V432 HydrophobicContact CD2-CG1 4.25Å; L407-V432 HydrophobicContact CD2-CG2 4.19Å; C428-V432 WeakPolarHBondContact O-CG2 3.32Å; C428-V432 PolarHBondContact O-N 3.45Å; A429-V432 PolarHBondContact O-N 2.93Å; V432-N435 PolarHBondContact O-N 2.99Å; V432-H436 WeakPolarHBondContact O-CB 3.29Å; V432-H436 PolarHBondContact O-N 3.43Å; V432-H436 PolarHBondContact O-ND1 3.2Å; V432-L472 HydrophobicContact CB-CD1 4.15Å; V432-L472 HydrophobicContact CG1-CD1 3.89Å
433G94.5Very high94Very high0 Ų038.9 Ų38.90%019%0.193CC..Hα-helixtrans-60.5-49.2174.300000113.2A429 S431 N435 H436 L472 A476A429-G433 PolarHBondContact O-N 3.16Å; S431-G433 VanDerWaalsContact C-N 3.28Å; S431-G433 PolarHBondContact O-N 3.34Å; G433-N435 VanDerWaalsContact C-N 3.3Å; G433-N435 PolarHBondContact O-N 2.93Å; G433-H436 PolarHBondContact O-N 3.32Å; G433-L472 WeakPolarHBondContact CA-O 3.07Å; G433-A476 WeakPolarHBondContact O-CA 3.17Å; G433-A476 WeakPolarHBondContact O-CB 3.21Å
434R93.2Very high93.9Very high104 Ų10436 Ų3639%0.39218%0.177SC..Hα-helixtrans-61-36176.1174.7177.7-74.588.57.6113A430 S431 N475A430-R434 PolarHBondContact O-N 3.46Å; A430-R434 PolarHBondContact O-NH1 2.78Å; S431-R434 PolarHBondContact O-N 3.33Å; S431-R434 VanDerWaalsContact O-N 3.17Å; R434-N475 WeakPolarHBondContact CA-O 3.45Å; R434-N475 HydrophobicContact CB-CB 4.28Å; R434-N475 PolarHBondContact NH1-OD1 2.96Å; R434-N475 PolarHBondContact NH2-OD1 3.3Å
435N91.9Very high93.6Very high75 Ų7538.2 Ų38.240%0.40120%0.195SC..Hα-helixtrans-83.8-19.7-175.6-65.6-4.3000113.3S394 S431 V432 G433 P437S394-N435 PolarHBondContact O-ND2 3.1Å; S394-N435 VanDerWaalsContact O-ND2 3.15Å; S431-N435 WeakPolarHBondContact O-CB 3.09Å; S431-N435 PolarHBondContact O-N 3.25Å; S431-N435 PolarHBondContact O-OD1 3.2Å; V432-N435 PolarHBondContact O-N 2.99Å; G433-N435 VanDerWaalsContact C-N 3.3Å; G433-N435 PolarHBondContact O-N 2.93Å; N435-P437 VanDerWaalsContact C-CD 3.45Å
436H94.3Very high93.2Very high14 Ų1442.1 Ų42.17%0.06522%0.223CC..  trans-130.543.7-173.4-54.996.9000114.9C396 R397 L398 L404 V432 G433 I438 F439 V440C396-H436 PolarHBondContact O-CE1 3.13Å; R397-H436 WeakPolarHBondContact CA-NE2 3.1Å; L398-H436 PolarHBondContact N-NE2 2.98Å; L404-H436 HydrophobicContact CD1-CB 3.96Å; V432-H436 WeakPolarHBondContact O-CB 3.29Å; V432-H436 PolarHBondContact O-N 3.43Å; V432-H436 PolarHBondContact O-ND1 3.2Å; G433-H436 PolarHBondContact O-N 3.32Å; H436-I438 VanDerWaalsContact C-N 3.29Å; H436-I438 PolarHBondContact O-N 2.9Å; H436-F439 HydrophobicContact CB-CB 4.32Å; H436-F439 HydrophobicContact CB-CD2 3.9Å; H436-F439 HydrophobicContact CB-CG 4.48Å; H436-F439 AromaticContact CD2-CD2 4Å; H436-F439 PolarHBondContact O-N 3.35Å; H436-V440 PolarHBondContact O-N 2.95Å; H436-V440 VanDerWaalsContact O-N 3.1Å
437P93.8Very high92.9Very high21 Ų2142.6 Ų42.614%0.13623%0.226CC..Hα-helixtrans-60.1-36.5-169.326-36.2000113.2N435 F439 V440 E441 A476 I480N435-P437 VanDerWaalsContact C-CD 3.45Å; P437-F439 VanDerWaalsContact C-N 3.31Å; P437-F439 PolarHBondContact O-N 3.43Å; P437-V440 PolarHBondContact O-N 3Å; P437-V440 VanDerWaalsContact O-N 3.15Å; P437-E441 PolarHBondContact O-N 2.99Å; P437-A476 HydrophobicContact CB-CB 3.89Å; P437-I480 VanDerWaalsContact C-CD1 3.46Å; P437-I480 HydrophobicContact CB-CD1 4.02Å; P437-I480 HydrophobicContact CB-CG1 4.12Å; P437-I480 WeakPolarHBondContact O-CD1 3.39Å
438I93.4Very high92.5Very high116 Ų11637.4 Ų37.460%0.59521%0.208SC*.Hα-helixtrans-60.1-40.2177.5-60.9169.3000111.5H436 T442 I480H436-I438 VanDerWaalsContact C-N 3.29Å; H436-I438 PolarHBondContact O-N 2.9Å; I438-T442 WeakPolarHBondContact O-CB 3.28Å; I438-T442 PolarHBondContact O-N 3.11Å; I438-T442 PolarHBondContact O-OG1 2.96Å; I438-I480 HydrophobicContact CB-CD1 4.49Å; I438-I480 HydrophobicContact CG1-CD1 4.12Å
439F94.4Very high91.8Very high47 Ų4747 Ų4721%0.20624%0.244CC..Hα-helixtrans-72.8-36.6177.2-60-21.9000111.4L398 A401 L404 H436 P437 T442 C443L398-F439 HydrophobicContact CB-CD2 4.21Å; L398-F439 HydrophobicContact CB-CE2 3.97Å; L398-F439 WeakPolarHBondContact O-CE2 3.4Å; A401-F439 HydrophobicContact CB-CB 3.98Å; A401-F439 HydrophobicContact CB-CD1 4.02Å; A401-F439 HydrophobicContact CB-CG 4.14Å; L404-F439 HydrophobicContact CB-CB 4.37Å; L404-F439 HydrophobicContact CD1-CB 4.36Å; L404-F439 HydrophobicContact CD2-CB 4.47Å; H436-F439 HydrophobicContact CB-CB 4.32Å; H436-F439 HydrophobicContact CB-CD2 3.9Å; H436-F439 HydrophobicContact CB-CG 4.48Å; H436-F439 AromaticContact CD2-CD2 4Å; H436-F439 PolarHBondContact O-N 3.35Å; P437-F439 VanDerWaalsContact C-N 3.31Å; P437-F439 PolarHBondContact O-N 3.43Å; F439-T442 PolarHBondContact O-N 3.22Å; F439-C443 WeakPolarHBondContact O-CB 3.32Å; F439-C443 PolarHBondContact O-N 3.23Å; F439-C443 PolarHBondContact O-SG 3.24Å
440V94.9Very high90.6Very high0 Ų048.9 Ų48.90%026%0.255CS..Hα-helixtrans-63.5-42.9174.6179.20000111.3L404 H436 P437 C443 L444 L447 L472 V473 A476 M483L404-V440 HydrophobicContact CD1-CG2 3.89Å; L404-V440 HydrophobicContact CD2-CG2 4Å; H436-V440 PolarHBondContact O-N 2.95Å; H436-V440 VanDerWaalsContact O-N 3.1Å; P437-V440 PolarHBondContact O-N 3Å; P437-V440 VanDerWaalsContact O-N 3.15Å; V440-C443 CarbonylContact O-C 3.39Å; V440-C443 PolarHBondContact O-N 2.82Å; V440-L444 WeakPolarHBondContact O-CA 3.37Å; V440-L444 PolarHBondContact O-N 2.92Å; V440-L447 HydrophobicContact CG1-CD1 4.04Å; V440-L472 HydrophobicContact CG1-CD2 4.3Å; V440-L472 HydrophobicContact CG2-CD2 3.96Å; V440-L472 HydrophobicContact CG2-CG 4.26Å; V440-V473 HydrophobicContact CG1-CB 4.47Å; V440-V473 HydrophobicContact CG1-CG2 4.03Å; V440-A476 HydrophobicContact CB-CB 3.72Å; V440-A476 HydrophobicContact CG1-CB 3.71Å; V440-A476 HydrophobicContact CG2-CB 3.95Å; V440-M483 HydrophobicContact CG1-CE 4.45Å; V440-M483 HydrophobicContact CG1-SD 4.15Å
441E93.1Very high89Confident58 Ų5855.1 Ų55.127%0.27128%0.283SS..Hα-helixtrans-64.1-45.1174.8-166-163.7-174.800111.4P437 C443 L444 I480 M483 K486P437-E441 PolarHBondContact O-N 2.99Å; E441-C443 PolarHBondContact O-N 3.32Å; E441-L444 WeakPolarHBondContact O-CB 3.25Å; E441-L444 PolarHBondContact O-N 2.88Å; E441-L444 VanDerWaalsContact O-N 3.16Å; E441-I480 HydrophobicContact CB-CD1 3.94Å; E441-I480 HydrophobicContact CB-CG2 4.48Å; E441-I480 HydrophobicContact CG-CG2 4.27Å; E441-I480 WeakPolarHBondContact OE2-CG2 3.46Å; E441-M483 HydrophobicContact CB-SD 4.15Å; E441-M483 HydrophobicContact CG-CG 4.25Å; E441-M483 HydrophobicContact CG-SD 4.41Å; E441-K486 IonicContact OE1-NZ 2.95Å; E441-K486 PolarHBondContact OE1-NZ 2.36Å
442T92.1Very high87.3Confident98 Ų9858.8 Ų58.860%0.60131%0.309SS*.Hα-helixtrans-57.3-37177.3-57.40000111.7A401 I438 F439A401-T442 HydrophobicContact CB-CG2 4.05Å; I438-T442 WeakPolarHBondContact O-CB 3.28Å; I438-T442 PolarHBondContact O-N 3.11Å; I438-T442 PolarHBondContact O-OG1 2.96Å; F439-T442 PolarHBondContact O-N 3.22Å
443C91.9Very high85.4Confident17 Ų1769.7 Ų69.712%0.11535%0.35CS..Hα-helixtrans-91.6-5.6-179.3-73.10000114.8L404 I405 F439 V440 E441 S445 S446 L447L404-C443 HydrophobicContact CD2-CB 4.22Å; I405-C443 HydrophobicContact CD1-CB 3.89Å; I405-C443 HydrophobicContact CG1-CB 4.48Å; F439-C443 WeakPolarHBondContact O-CB 3.32Å; F439-C443 PolarHBondContact O-N 3.23Å; F439-C443 PolarHBondContact O-SG 3.24Å; V440-C443 CarbonylContact O-C 3.39Å; V440-C443 PolarHBondContact O-N 2.82Å; E441-C443 PolarHBondContact O-N 3.32Å; C443-S445 VanDerWaalsContact C-N 3.31Å; C443-S445 PolarHBondContact O-N 2.94Å; C443-S445 VanDerWaalsContact O-N 3.14Å; C443-S446 WeakPolarHBondContact O-CB 3.31Å; C443-S446 PolarHBondContact O-N 3.06Å; C443-L447 HydrophobicContact CB-CD1 3.85Å; C443-L447 HydrophobicContact CB-CG 4.01Å; C443-L447 WeakPolarHBondContact O-CG 3.42Å; C443-L447 PolarHBondContact O-N 3.29Å
444L91.1Very high83.6Confident2 Ų275.6 Ų75.61%0.0138%0.381CS..Hα-helixtrans-53.5-44.3-163.4-174.672000113.8V440 E441 S446 L447 L448 V473 M483 K486 F487V440-L444 WeakPolarHBondContact O-CA 3.37Å; V440-L444 PolarHBondContact O-N 2.92Å; E441-L444 WeakPolarHBondContact O-CB 3.25Å; E441-L444 PolarHBondContact O-N 2.88Å; E441-L444 VanDerWaalsContact O-N 3.16Å; L444-S446 PolarHBondContact O-N 3.43Å; L444-L447 PolarHBondContact O-N 3.31Å; L444-L448 HydrophobicContact CD1-CD1 3.63Å; L444-L448 HydrophobicContact CD1-CG 3.95Å; L444-L448 HydrophobicContact CG-CD1 4.09Å; L444-L448 HydrophobicContact CG-CG 4.46Å; L444-L448 PolarHBondContact O-N 3.4Å; L444-V473 HydrophobicContact CD1-CG1 3.76Å; L444-V473 HydrophobicContact CD1-CG2 4.15Å; L444-M483 HydrophobicContact CD1-CG 4.18Å; L444-M483 HydrophobicContact CD1-SD 3.87Å; L444-M483 HydrophobicContact CD2-CG 3.59Å; L444-M483 HydrophobicContact CD2-SD 4.28Å; L444-M483 HydrophobicContact CG-CG 4.42Å; L444-K486 HydrophobicContact CD2-CB 3.46Å; L444-K486 VanDerWaalsContact CD2-CB 3.46Å; L444-K486 HydrophobicContact CD2-CD 3.9Å; L444-K486 HydrophobicContact CD2-CG 4.32Å; L444-F487 HydrophobicContact CD1-CD1 4.45Å; L444-F487 HydrophobicContact CD1-CE1 3.99Å; L444-F487 HydrophobicContact CD2-CD1 4.35Å; L444-F487 HydrophobicContact CD2-CE1 4.36Å
445S85.9Confident81.9Confident75 Ų7576.1 Ų76.152%0.52440%0.401SS..Hα-helixtrans-61.1-32.7-178.3-450000112.7C443 R449 T450C443-S445 VanDerWaalsContact C-N 3.31Å; C443-S445 PolarHBondContact O-N 2.94Å; C443-S445 VanDerWaalsContact O-N 3.14Å; S445-R449 CarbonylContact O-C 3.13Å; S445-R449 WeakPolarHBondContact O-CA 3.39Å; S445-R449 PolarHBondContact O-N 3.47Å; S445-T450 WeakPolarHBondContact CA-OG1 3.27Å; S445-T450 PolarHBondContact O-N 3.13Å
446S87.2Confident80.7Confident82 Ų8274.7 Ų74.757%0.57340%0.404SS*.Hα-helixtrans-77.2-47.6174.7-171.20000110.9C443 L444 L448 R449C443-S446 WeakPolarHBondContact O-CB 3.31Å; C443-S446 PolarHBondContact O-N 3.06Å; L444-S446 PolarHBondContact O-N 3.43Å; S446-L448 PolarHBondContact O-N 3.42Å; S446-R449 PolarHBondContact O-N 3.16Å; S446-R449 VanDerWaalsContact O-N 3.14Å
447L89Confident79.7Confident20 Ų2080.1 Ų80.111%0.10544%0.44CS..Hα-helixtrans-57-48-179.4-67.3172.2000112.4L404 I405 L408 V440 C443 L444 V469 L472 V473L404-L447 HydrophobicContact CD2-CD1 4.3Å; I405-L447 HydrophobicContact CD1-CD2 3.8Å; I405-L447 HydrophobicContact CD1-CG 4.31Å; L408-L447 HydrophobicContact CD2-CD2 3.32Å; V440-L447 HydrophobicContact CG1-CD1 4.04Å; C443-L447 HydrophobicContact CB-CD1 3.85Å; C443-L447 HydrophobicContact CB-CG 4.01Å; C443-L447 WeakPolarHBondContact O-CG 3.42Å; C443-L447 PolarHBondContact O-N 3.29Å; L444-L447 PolarHBondContact O-N 3.31Å; L447-V469 HydrophobicContact CB-CG1 4.04Å; L447-V469 HydrophobicContact CD2-CG1 4.4Å; L447-L472 HydrophobicContact CD1-CD2 3.96Å; L447-L472 HydrophobicContact CD2-CD2 4.37Å; L447-V473 HydrophobicContact CB-CG2 4.43Å; L447-V473 HydrophobicContact CD1-CG2 4.16Å
448L86.4Confident78.9Confident19 Ų1984.3 Ų84.310%0.09946%0.458CS..THydrogen-bonded Turntrans-90.21.1179.5-60.6-176.3000113.5L444 S446 T450 V473 F487 V491L444-L448 HydrophobicContact CD1-CD1 3.63Å; L444-L448 HydrophobicContact CD1-CG 3.95Å; L444-L448 HydrophobicContact CG-CD1 4.09Å; L444-L448 HydrophobicContact CG-CG 4.46Å; L444-L448 PolarHBondContact O-N 3.4Å; S446-L448 PolarHBondContact O-N 3.42Å; L448-T450 HydrophobicContact CB-CG2 3.83Å; L448-T450 PolarHBondContact O-N 2.93Å; L448-V473 HydrophobicContact CD2-CG2 4.34Å; L448-F487 HydrophobicContact CD1-CD1 4Å; L448-F487 HydrophobicContact CD1-CE1 4.41Å; L448-V491 HydrophobicContact CD1-CG2 4.48Å
449R80.2Confident78.4Confident204 Ų20480.8 Ų80.877%0.7744%0.443SS*.THydrogen-bonded Turntrans51.439.8-176.8-57.4-179.2179.7170.70113.7S445 S446S445-R449 CarbonylContact O-C 3.13Å; S445-R449 WeakPolarHBondContact O-CA 3.39Å; S445-R449 PolarHBondContact O-N 3.47Å; S446-R449 PolarHBondContact O-N 3.16Å; S446-R449 VanDerWaalsContact O-N 3.14Å
450T70.6Confident77.9Confident38 Ų3883.7 Ų83.723%0.23346%0.464CS..  trans-95.8116.3-17755.30000111.2S445 L448 P488S445-T450 WeakPolarHBondContact CA-OG1 3.27Å; S445-T450 PolarHBondContact O-N 3.13Å; L448-T450 HydrophobicContact CB-CG2 3.83Å; L448-T450 PolarHBondContact O-N 2.93Å; T450-P488 HydrophobicContact CG2-CG 3.36Å
451H60.8Low77.1Confident136 Ų13687.6 Ų87.663%0.6348%0.481SS*.BIsolated β-bridgetrans-99.4148.1167.6-64.5-78000110.5W453 L454H451-W453 PolarHBondContact O-N 2.61Å; H451-L454 HydrophobicContact CB-CB 4.26Å; H451-L454 PolarHBondContact N-O 3.37Å; H451-L454 PolarHBondContact O-N 2.8Å
452S59.6Low76.7Confident107 Ų10792 Ų9275%0.74850%0.501SS*.THydrogen-bonded Turntrans-57-17.6-170.5-41.20000115.9
453W55.8Low76.6Confident231 Ų23190.3 Ų90.388%0.87549%0.489SS*.THydrogen-bonded Turntrans-132.9-7.8-177.34.489.5000113.3H451H451-W453 PolarHBondContact O-N 2.61Å
454L55.6Low76.5Confident123 Ų12392 Ų9264%0.64450%0.5SS*.BIsolated β-bridgetrans-132.9108.6-173.8-76.1168.6000109.4H451H451-L454 HydrophobicContact CB-CB 4.26Å; H451-L454 PolarHBondContact N-O 3.37Å; H451-L454 PolarHBondContact O-N 2.8Å
455S58.3Low76.6Confident116 Ų11693 Ų9381%0.81151%0.508SS*.PPolyproline II helixtrans-79.5127165.2-64.20000108.9
456G66.2Low76.9Confident45 Ų4590.6 Ų90.646%0.46449%0.487SS..PPolyproline II helixtrans-65.1167.1167.900000112
457P72.6Confident77.1Confident128 Ų12886.9 Ų86.983%0.83146%0.461SS*.PPolyproline II helixtrans-57.6144.4172.626.3-34.7000110.9P459P457-P459 WeakPolarHBondContact O-CD 3.4Å
458E78.2Confident77.4Confident109 Ų10986 Ų8651%0.50946%0.456SS..PPolyproline II helixtrans-62.3124.1179.4-173.2168.3152.700109.9K461 H490E458-K461 WeakPolarHBondContact OE1-CE 3.49Å; E458-K461 IonicContact OE1-NZ 2.99Å; E458-K461 PolarHBondContact OE1-NZ 3.32Å; E458-H490 VanDerWaalsContact CD-CB 3.47Å; E458-H490 HydrophobicContact CG-CB 3.91Å
459P82Confident77.8Confident42 Ų4285.8 Ų85.827%0.27346%0.456SS..PPolyproline II helixtrans-69.1151.618027.8-35000111.7P457 K461 Y466P457-P459 WeakPolarHBondContact O-CD 3.4Å; P459-K461 PolarHBondContact O-N 2.79Å; P459-Y466 HydrophobicContact CB-CD1 3.97Å; P459-Y466 HydrophobicContact CB-CD2 3.96Å; P459-Y466 HydrophobicContact CB-CE1 4.22Å; P459-Y466 HydrophobicContact CB-CE2 4.22Å; P459-Y466 HydrophobicContact CB-CG 3.84Å; P459-Y466 HydrophobicContact CG-CD1 3.82Å; P459-Y466 HydrophobicContact CG-CD2 3.64Å; P459-Y466 HydrophobicContact CG-CE1 3.56Å; P459-Y466 HydrophobicContact CG-CE2 3.37Å; P459-Y466 HydrophobicContact CG-CG 3.86Å
460V83.6Confident78.4Confident108 Ų10876 Ų7666%0.65542%0.419SS*.PPolyproline II helixtrans-63122.7-179.5-178.90000109.8E462 D463V460-E462 PolarHBondContact O-N 3Å; V460-E462 VanDerWaalsContact O-N 3.09Å; V460-D463 HydrophobicContact CB-CB 4.41Å; V460-D463 WeakPolarHBondContact O-CB 3.3Å; V460-D463 PolarHBondContact O-N 2.87Å
461K78.8Confident79.5Confident82 Ų8274.2 Ų74.236%0.35741%0.408SS..THydrogen-bonded Turntrans-63.8-18.7-171.7-60.8-169.3-177.9-168.20114.6E458 P459 L467 S493E458-K461 WeakPolarHBondContact OE1-CE 3.49Å; E458-K461 IonicContact OE1-NZ 2.99Å; E458-K461 PolarHBondContact OE1-NZ 3.32Å; P459-K461 PolarHBondContact O-N 2.79Å; K461-L467 WeakPolarHBondContact O-CD2 3.08Å; K461-S493 PolarHBondContact NZ-OG 2.77Å
462E84.1Confident81.1Confident149 Ų14967.8 Ų67.870%0.69638%0.378SS*.THydrogen-bonded Turntrans-99.3-3.7178.9-64.3-179.8-178.700113.6V460 P464V460-E462 PolarHBondContact O-N 3Å; V460-E462 VanDerWaalsContact O-N 3.09Å; E462-P464 WeakPolarHBondContact O-CD 3.33Å
463D89.7Confident82.7Confident63 Ų6362.7 Ų62.734%0.33734%0.342SS..  trans-61.8116.8178.6168.429.9000111V460 A465 Y466 L467V460-D463 HydrophobicContact CB-CB 4.41Å; V460-D463 WeakPolarHBondContact O-CB 3.3Å; V460-D463 PolarHBondContact O-N 2.87Å; D463-A465 PolarHBondContact O-N 3.12Å; D463-A465 VanDerWaalsContact O-N 3.16Å; D463-A465 WeakPolarHBondContact OD1-CB 3.26Å; D463-A465 PolarHBondContact OD1-N 3.42Å; D463-Y466 PolarHBondContact O-N 2.99Å; D463-Y466 WeakPolarHBondContact OD2-CB 3.31Å; D463-Y466 PolarHBondContact OD2-N 2.86Å; D463-L467 WeakPolarHBondContact O-CG 3.18Å; D463-L467 PolarHBondContact O-N 3.25Å
464P91.3Very high84.5Confident54 Ų5451.7 Ų51.735%0.35130%0.301SS..Hα-helixtrans-59.4-27.5179-25.236.6000113.6L415 E462 T468L415-P464 HydrophobicContact CD2-CB 3.88Å; L415-P464 HydrophobicContact CG-CB 4.46Å; E462-P464 WeakPolarHBondContact O-CD 3.33Å; P464-T468 WeakPolarHBondContact O-CB 3.38Å; P464-T468 PolarHBondContact O-N 2.84Å; P464-T468 VanDerWaalsContact O-N 3.14Å; P464-T468 PolarHBondContact O-OG1 2.88Å
465A92.5Very high86.4Confident21 Ų2146 Ų4617%0.17427%0.271CS..Hα-helixtrans-71.8-51.9176.200000111.2L412 D463 L467 T468 V469L412-A465 HydrophobicContact CD2-CB 3.73Å; D463-A465 PolarHBondContact O-N 3.12Å; D463-A465 VanDerWaalsContact O-N 3.16Å; D463-A465 WeakPolarHBondContact OD1-CB 3.26Å; D463-A465 PolarHBondContact OD1-N 3.42Å; A465-L467 VanDerWaalsContact C-N 3.35Å; A465-L467 PolarHBondContact O-N 3.45Å; A465-T468 VanDerWaalsContact O-CB 3.3Å; A465-T468 WeakPolarHBondContact O-CB 3.12Å; A465-T468 PolarHBondContact O-N 3.02Å; A465-T468 VanDerWaalsContact O-N 3.13Å; A465-V469 PolarHBondContact O-N 3.35Å
466Y91.7Very high88.1Confident25 Ų2540.4 Ų40.410%0.09823%0.232CC..Hα-helixtrans-57.5-43.8174.2176.9-123.8000113P459 D463 T468 V469 L470 H490 T494P459-Y466 HydrophobicContact CB-CD1 3.97Å; P459-Y466 HydrophobicContact CB-CD2 3.96Å; P459-Y466 HydrophobicContact CB-CE1 4.22Å; P459-Y466 HydrophobicContact CB-CE2 4.22Å; P459-Y466 HydrophobicContact CB-CG 3.84Å; P459-Y466 HydrophobicContact CG-CD1 3.82Å; P459-Y466 HydrophobicContact CG-CD2 3.64Å; P459-Y466 HydrophobicContact CG-CE1 3.56Å; P459-Y466 HydrophobicContact CG-CE2 3.37Å; P459-Y466 HydrophobicContact CG-CG 3.86Å; D463-Y466 PolarHBondContact O-N 2.99Å; D463-Y466 WeakPolarHBondContact OD2-CB 3.31Å; D463-Y466 PolarHBondContact OD2-N 2.86Å; Y466-T468 VanDerWaalsContact C-N 3.26Å; Y466-T468 PolarHBondContact O-N 2.83Å; Y466-V469 PolarHBondContact O-N 3.4Å; Y466-V469 VanDerWaalsContact O-N 3.12Å; Y466-L470 HydrophobicContact CD1-CD1 3.97Å; Y466-L470 HydrophobicContact CE1-CD1 3.37Å; Y466-L470 HydrophobicContact CE1-CG 4.22Å; Y466-L470 HydrophobicContact CE2-CD1 4.04Å; Y466-L470 HydrophobicContact CE2-CG 3.97Å; Y466-L470 VanDerWaalsContact CZ-CD1 3.42Å; Y466-L470 PolarHBondContact O-N 2.84Å; Y466-H490 PolarHBondContact OH-CD2 2.53Å; Y466-H490 PolarHBondContact OH-NE2 3.43Å; Y466-T494 HydrophobicContact CE1-CG2 4.33Å
467L92.9Very high89.2Confident5 Ų539.5 Ų39.53%0.02622%0.216CC..Hα-helixtrans-62.6-32176.6-68.4174.4000112.7W426 K461 D463 A465 L470 L471 T494 L498W426-L467 HydrophobicContact CH2-CD1 4.39Å; W426-L467 HydrophobicContact CZ2-CB 4.12Å; W426-L467 HydrophobicContact CZ2-CD1 4.09Å; K461-L467 WeakPolarHBondContact O-CD2 3.08Å; D463-L467 WeakPolarHBondContact O-CG 3.18Å; D463-L467 PolarHBondContact O-N 3.25Å; A465-L467 VanDerWaalsContact C-N 3.35Å; A465-L467 PolarHBondContact O-N 3.45Å; L467-L470 HydrophobicContact CD2-CD1 4.23Å; L467-L470 PolarHBondContact O-N 2.99Å; L467-L471 WeakPolarHBondContact O-CB 3.13Å; L467-L471 WeakPolarHBondContact O-CG 3.33Å; L467-L471 PolarHBondContact O-N 3.42Å; L467-T494 HydrophobicContact CD2-CG2 4.15Å; L467-L498 HydrophobicContact CD2-CD1 4.17Å; L467-L498 HydrophobicContact CD2-CD2 4Å; L467-L498 HydrophobicContact CD2-CG 4.13Å
468T94.3Very high90Very high0 Ų036.7 Ų36.70%020%0.197CC..Hα-helixtrans-63.5-44.5172.5-59.90000111.6L408 L412 L425 W426 A429 P464 A465 Y466 L471 L472L408-T468 HydrophobicContact CD1-CG2 4.13Å; L412-T468 HydrophobicContact CD2-CG2 4.18Å; L425-T468 HydrophobicContact CD2-CG2 3.55Å; L425-T468 WeakPolarHBondContact CD2-OG1 3.49Å; W426-T468 PolarHBondContact NE1-OG1 3.2Å; A429-T468 HydrophobicContact CB-CG2 3.8Å; P464-T468 WeakPolarHBondContact O-CB 3.38Å; P464-T468 PolarHBondContact O-N 2.84Å; P464-T468 VanDerWaalsContact O-N 3.14Å; P464-T468 PolarHBondContact O-OG1 2.88Å; A465-T468 VanDerWaalsContact O-CB 3.3Å; A465-T468 WeakPolarHBondContact O-CB 3.12Å; A465-T468 PolarHBondContact O-N 3.02Å; A465-T468 VanDerWaalsContact O-N 3.13Å; Y466-T468 VanDerWaalsContact C-N 3.26Å; Y466-T468 PolarHBondContact O-N 2.83Å; T468-L471 PolarHBondContact O-N 3.34Å; T468-L472 PolarHBondContact O-N 2.62Å; T468-L472 VanDerWaalsContact O-N 3.17Å
469V94.4Very high90.6Very high15 Ų1535 Ų359%0.09120%0.198CC..Hα-helixtrans-65.8-41.7177.8-174.40000111L408 L447 A465 Y466 L472 V473L408-V469 HydrophobicContact CD1-CG2 4.43Å; L408-V469 HydrophobicContact CD2-CG2 4.23Å; L447-V469 HydrophobicContact CB-CG1 4.04Å; L447-V469 HydrophobicContact CD2-CG1 4.4Å; A465-V469 PolarHBondContact O-N 3.35Å; Y466-V469 PolarHBondContact O-N 3.4Å; Y466-V469 VanDerWaalsContact O-N 3.12Å; V469-L472 PolarHBondContact O-N 3.05Å; V469-V473 HydrophobicContact CG1-CG2 4.4Å; V469-V473 WeakPolarHBondContact O-CG2 3.28Å; V469-V473 PolarHBondContact O-N 3.35Å
470L92.7Very high90.9Very high0 Ų034.2 Ų34.20%019%0.191CC..Hα-helixtrans-60.5-45.3174.5-85.2171000112.5Y466 L467 L472 V473 L474 V491 T494 L498Y466-L470 HydrophobicContact CD1-CD1 3.97Å; Y466-L470 HydrophobicContact CE1-CD1 3.37Å; Y466-L470 HydrophobicContact CE1-CG 4.22Å; Y466-L470 HydrophobicContact CE2-CD1 4.04Å; Y466-L470 HydrophobicContact CE2-CG 3.97Å; Y466-L470 VanDerWaalsContact CZ-CD1 3.42Å; Y466-L470 PolarHBondContact O-N 2.84Å; L467-L470 HydrophobicContact CD2-CD1 4.23Å; L467-L470 PolarHBondContact O-N 2.99Å; L470-L472 VanDerWaalsContact C-N 3.28Å; L470-L472 PolarHBondContact O-N 3.48Å; L470-V473 PolarHBondContact O-N 3.07Å; L470-L474 HydrophobicContact CB-CD1 4.41Å; L470-L474 HydrophobicContact CD2-CD1 4.3Å; L470-L474 VanDerWaalsContact O-CB 3.26Å; L470-L474 WeakPolarHBondContact O-CB 3.27Å; L470-L474 VanDerWaalsContact O-CG 3.24Å; L470-L474 WeakPolarHBondContact O-CG 3.34Å; L470-L474 PolarHBondContact O-N 2.85Å; L470-V491 HydrophobicContact CD2-CG1 3.84Å; L470-V491 HydrophobicContact CD2-CG2 4.31Å; L470-T494 HydrophobicContact CD1-CG2 3.39Å; L470-L498 HydrophobicContact CB-CD1 3.75Å; L470-L498 HydrophobicContact CD1-CD1 4.04Å; L470-L498 HydrophobicContact CG-CD1 4.49Å
471L94.4Very high90.8Very high0 Ų033.2 Ų33.20%019%0.187CC..Hα-helixtrans-61.4-36.7178.1-76.9169.3000112.2W426 L467 T468 N475 L498 L502 L505 L506W426-L471 HydrophobicContact CB-CD1 3.65Å; W426-L471 HydrophobicContact CD2-CD1 4.01Å; W426-L471 HydrophobicContact CG-CD1 3.55Å; L467-L471 WeakPolarHBondContact O-CB 3.13Å; L467-L471 WeakPolarHBondContact O-CG 3.33Å; L467-L471 PolarHBondContact O-N 3.42Å; T468-L471 PolarHBondContact O-N 3.34Å; L471-N475 WeakPolarHBondContact O-CB 3.41Å; L471-N475 PolarHBondContact O-N 3.14Å; L471-N475 PolarHBondContact O-ND2 3.31Å; L471-L498 HydrophobicContact CD2-CD2 4.25Å; L471-L498 HydrophobicContact CG-CD2 4.4Å; L471-L502 HydrophobicContact CD1-CD1 4.13Å; L471-L502 HydrophobicContact CD2-CD1 4.49Å; L471-L505 HydrophobicContact CD1-CD1 4.5Å; L471-L505 HydrophobicContact CD2-CB 4.15Å; L471-L506 HydrophobicContact CD2-CD2 4.19Å
472L94.6Very high91Very high0 Ų031.5 Ų31.50%019%0.193CC..Hα-helixtrans-65.7-49.9173.1-178118.4000111.7L404 A429 V432 G433 V440 L447 T468 V469 L470 N475 A476L404-L472 HydrophobicContact CD1-CD1 4.44Å; L404-L472 HydrophobicContact CD2-CD2 4.35Å; A429-L472 HydrophobicContact CB-CB 4.42Å; V432-L472 HydrophobicContact CB-CD1 4.15Å; V432-L472 HydrophobicContact CG1-CD1 3.89Å; G433-L472 WeakPolarHBondContact CA-O 3.07Å; V440-L472 HydrophobicContact CG1-CD2 4.3Å; V440-L472 HydrophobicContact CG2-CD2 3.96Å; V440-L472 HydrophobicContact CG2-CG 4.26Å; L447-L472 HydrophobicContact CD1-CD2 3.96Å; L447-L472 HydrophobicContact CD2-CD2 4.37Å; T468-L472 PolarHBondContact O-N 2.62Å; T468-L472 VanDerWaalsContact O-N 3.17Å; V469-L472 PolarHBondContact O-N 3.05Å; L470-L472 VanDerWaalsContact C-N 3.28Å; L470-L472 PolarHBondContact O-N 3.48Å; L472-N475 PolarHBondContact O-N 3.47Å; L472-A476 PolarHBondContact O-N 3.41Å
473V94.4Very high91.1Very high0 Ų024.4 Ų24.40%016%0.16CC..Hα-helixtrans-66.5-44.5-1781720000112.6V440 L444 L447 L448 V469 L470 N475 A476 E477 M483 F487V440-V473 HydrophobicContact CG1-CB 4.47Å; V440-V473 HydrophobicContact CG1-CG2 4.03Å; L444-V473 HydrophobicContact CD1-CG1 3.76Å; L444-V473 HydrophobicContact CD1-CG2 4.15Å; L447-V473 HydrophobicContact CB-CG2 4.43Å; L447-V473 HydrophobicContact CD1-CG2 4.16Å; L448-V473 HydrophobicContact CD2-CG2 4.34Å; V469-V473 HydrophobicContact CG1-CG2 4.4Å; V469-V473 WeakPolarHBondContact O-CG2 3.28Å; V469-V473 PolarHBondContact O-N 3.35Å; L470-V473 PolarHBondContact O-N 3.07Å; V473-N475 VanDerWaalsContact C-N 3.27Å; V473-N475 PolarHBondContact O-N 3.3Å; V473-A476 PolarHBondContact O-N 3.31Å; V473-E477 PolarHBondContact O-N 3.42Å; V473-M483 HydrophobicContact CG1-CE 4.27Å; V473-M483 WeakPolarHBondContact O-CE 3.18Å; V473-F487 HydrophobicContact CG1-CE1 3.47Å; V473-F487 VanDerWaalsContact CG1-CE1 3.47Å; V473-F487 HydrophobicContact CG1-CZ 3.51Å
474L93.1Very high90.8Very high1 Ų125.3 Ų25.31%0.00516%0.164CC..Hα-helixtrans-71.6-18.2-178.6-66.6174.4000113.6L470 F487 V491 K495 L498 L506 P507L470-L474 HydrophobicContact CB-CD1 4.41Å; L470-L474 HydrophobicContact CD2-CD1 4.3Å; L470-L474 VanDerWaalsContact O-CB 3.26Å; L470-L474 WeakPolarHBondContact O-CB 3.27Å; L470-L474 VanDerWaalsContact O-CG 3.24Å; L470-L474 WeakPolarHBondContact O-CG 3.34Å; L470-L474 PolarHBondContact O-N 2.85Å; L474-F487 HydrophobicContact CD2-CE2 4.1Å; L474-V491 HydrophobicContact CD2-CG1 4.31Å; L474-K495 HydrophobicContact CD1-CB 4.08Å; L474-K495 HydrophobicContact CD1-CG 4.1Å; L474-K495 HydrophobicContact CD2-CB 4.17Å; L474-K495 HydrophobicContact CD2-CD 3.84Å; L474-K495 HydrophobicContact CD2-CG 3.97Å; L474-L498 HydrophobicContact CD1-CD1 3.9Å; L474-L506 HydrophobicContact CB-CD2 3.75Å; L474-L506 HydrophobicContact CD1-CD2 4.2Å; L474-P507 WeakPolarHBondContact O-CG 3.34Å
475N94.1Very high90.5Very high2 Ų227.3 Ų27.31%0.01119%0.185CC..Hα-helixtrans-86.8-19.7172.2-83-86.8000113.7A430 R434 L471 L472 V473 L505A430-N475 WeakPolarHBondContact CB-ND2 3.4Å; A430-N475 WeakPolarHBondContact O-CB 3.5Å; A430-N475 VanDerWaalsContact O-CG 3.32Å; R434-N475 WeakPolarHBondContact CA-O 3.45Å; R434-N475 HydrophobicContact CB-CB 4.28Å; R434-N475 PolarHBondContact NH1-OD1 2.96Å; R434-N475 PolarHBondContact NH2-OD1 3.3Å; L471-N475 WeakPolarHBondContact O-CB 3.41Å; L471-N475 PolarHBondContact O-N 3.14Å; L471-N475 PolarHBondContact O-ND2 3.31Å; L472-N475 PolarHBondContact O-N 3.47Å; V473-N475 VanDerWaalsContact C-N 3.27Å; V473-N475 PolarHBondContact O-N 3.3Å; N475-L505 PolarHBondContact ND2-O 3.42Å; N475-L505 PolarHBondContact OD1-O 3.08Å
476A93.9Very high90.1Very high0 Ų031.5 Ų31.50%020%0.199CC..Hα-helixtrans-81.5-30.2172.400000113.3G433 P437 V440 L472 V473 P478 S479 I480 M483G433-A476 WeakPolarHBondContact O-CA 3.17Å; G433-A476 WeakPolarHBondContact O-CB 3.21Å; P437-A476 HydrophobicContact CB-CB 3.89Å; V440-A476 HydrophobicContact CB-CB 3.72Å; V440-A476 HydrophobicContact CG1-CB 3.71Å; V440-A476 HydrophobicContact CG2-CB 3.95Å; L472-A476 PolarHBondContact O-N 3.41Å; V473-A476 PolarHBondContact O-N 3.31Å; A476-P478 VanDerWaalsContact C-CD 3.43Å; A476-S479 PolarHBondContact O-N 3.03Å; A476-S479 VanDerWaalsContact O-N 3.15Å; A476-I480 PolarHBondContact O-N 3.11Å; A476-M483 HydrophobicContact CB-CE 3.84Å
477E91.1Very high89.9Confident25 Ų2532.1 Ų32.112%0.11720%0.202CC..G310 helixtrans-47.7-47-176.5179.8-141.7139.200115.8V473 S479 I480 M483 L484 F487 K495V473-E477 PolarHBondContact O-N 3.42Å; E477-S479 PolarHBondContact O-N 3.34Å; E477-S479 VanDerWaalsContact O-N 3.16Å; E477-I480 CarbonylContact O-C 3.47Å; E477-I480 PolarHBondContact O-N 2.83Å; E477-I480 VanDerWaalsContact O-O 3.14Å; E477-M483 HydrophobicContact CB-CE 4.06Å; E477-L484 HydrophobicContact CG-CD1 4.44Å; E477-L484 HydrophobicContact CG-CD2 3.79Å; E477-L484 HydrophobicContact CG-CG 3.83Å; E477-F487 HydrophobicContact CB-CZ 4.39Å; E477-F487 HydrophobicContact CG-CE2 4.33Å; E477-F487 HydrophobicContact CG-CZ 4.42Å; E477-K495 IonicContact OE1-NZ 3.78Å; E477-K495 PolarHBondContact OE1-NZ 3.42Å; E477-K495 WeakPolarHBondContact OE2-CE 3.09Å; E477-K495 IonicContact OE2-NZ 2.77Å; E477-K495 PolarHBondContact OE2-NZ 3.49Å
478P89.2Confident89.5Confident69 Ų6933 Ų3345%0.44821%0.209SC..G310 helixtrans-63.7-26.3-176.2-16.828.6000113.4A476 P507A476-P478 VanDerWaalsContact C-CD 3.43Å; P478-P507 HydrophobicContact CG-CB 3.42Å; P478-P507 VanDerWaalsContact CG-CB 3.42Å; P478-P507 HydrophobicContact CG-CG 3.4Å
479S89.5Confident88.9Confident74 Ų7444.4 Ų44.452%0.51725%0.252SS..G310 helixtrans-85.1-17.7178.8-58.40000112.9A476 E477A476-S479 PolarHBondContact O-N 3.03Å; A476-S479 VanDerWaalsContact O-N 3.15Å; E477-S479 PolarHBondContact O-N 3.34Å; E477-S479 VanDerWaalsContact O-N 3.16Å
480I89.5Confident88.3Confident25 Ų2545.4 Ų45.413%0.12826%0.256CS..  trans-137.181174.7-58.3-179.6000108.9P437 I438 E441 A476 E477 G482 M483P437-I480 VanDerWaalsContact C-CD1 3.46Å; P437-I480 HydrophobicContact CB-CD1 4.02Å; P437-I480 HydrophobicContact CB-CG1 4.12Å; P437-I480 WeakPolarHBondContact O-CD1 3.39Å; I438-I480 HydrophobicContact CB-CD1 4.49Å; I438-I480 HydrophobicContact CG1-CD1 4.12Å; E441-I480 HydrophobicContact CB-CD1 3.94Å; E441-I480 HydrophobicContact CB-CG2 4.48Å; E441-I480 HydrophobicContact CG-CG2 4.27Å; E441-I480 WeakPolarHBondContact OE2-CG2 3.46Å; A476-I480 PolarHBondContact O-N 3.11Å; E477-I480 CarbonylContact O-C 3.47Å; E477-I480 PolarHBondContact O-N 2.83Å; E477-I480 VanDerWaalsContact O-O 3.14Å; I480-G482 PolarHBondContact O-N 2.97Å; I480-G482 VanDerWaalsContact O-N 3.16Å; I480-M483 HydrophobicContact CG2-CB 4.23Å; I480-M483 WeakPolarHBondContact O-CB 3.46Å; I480-M483 PolarHBondContact O-N 3.34Å
481P80.4Confident88.1Confident87 Ų8745.5 Ų45.557%0.56526%0.256SS*.G310 helixtrans-59.5-29.2-177.6-26.736000113.8M483 L484P481-M483 PolarHBondContact O-N 3.42Å; P481-M483 VanDerWaalsContact O-N 3.1Å; P481-L484 WeakPolarHBondContact O-CB 3.3Å; P481-L484 PolarHBondContact O-N 3.45Å; P481-L484 VanDerWaalsContact O-N 3.15Å
482G83.5Confident87.6Confident47 Ų4748.4 Ų48.449%0.48528%0.28SS..G310 helixtrans-61.1-15.8174.600000114.3I480 L484 A485I480-G482 PolarHBondContact O-N 2.97Å; I480-G482 VanDerWaalsContact O-N 3.16Å; G482-L484 VanDerWaalsContact C-N 3.29Å; G482-L484 PolarHBondContact O-N 2.96Å; G482-A485 PolarHBondContact O-N 2.89Å
483M86.2Confident87Confident0 Ų050.8 Ų50.80%030%0.297CS..G310 helixtrans-68.1-28.2176.1-158.2172.848.600112.4V440 E441 L444 V473 A476 E477 I480 P481 A485 K486 F487V440-M483 HydrophobicContact CG1-CE 4.45Å; V440-M483 HydrophobicContact CG1-SD 4.15Å; E441-M483 HydrophobicContact CB-SD 4.15Å; E441-M483 HydrophobicContact CG-CG 4.25Å; E441-M483 HydrophobicContact CG-SD 4.41Å; L444-M483 HydrophobicContact CD1-CG 4.18Å; L444-M483 HydrophobicContact CD1-SD 3.87Å; L444-M483 HydrophobicContact CD2-CG 3.59Å; L444-M483 HydrophobicContact CD2-SD 4.28Å; L444-M483 HydrophobicContact CG-CG 4.42Å; V473-M483 HydrophobicContact CG1-CE 4.27Å; V473-M483 WeakPolarHBondContact O-CE 3.18Å; A476-M483 HydrophobicContact CB-CE 3.84Å; E477-M483 HydrophobicContact CB-CE 4.06Å; I480-M483 HydrophobicContact CG2-CB 4.23Å; I480-M483 WeakPolarHBondContact O-CB 3.46Å; I480-M483 PolarHBondContact O-N 3.34Å; P481-M483 PolarHBondContact O-N 3.42Å; P481-M483 VanDerWaalsContact O-N 3.1Å; M483-A485 VanDerWaalsContact C-N 3.26Å; M483-A485 PolarHBondContact O-N 3.25Å; M483-K486 WeakPolarHBondContact O-CB 3.31Å; M483-K486 PolarHBondContact O-N 2.84Å; M483-F487 HydrophobicContact CB-CE1 4.48Å; M483-F487 HydrophobicContact CE-CE1 4.23Å; M483-F487 HydrophobicContact CE-CZ 4.08Å; M483-F487 HydrophobicContact CG-CE1 3.8Å; M483-F487 HydrophobicContact CG-CZ 4.4Å; M483-F487 WeakPolarHBondContact O-CD1 3.45Å; M483-F487 HydrophobicContact SD-CE1 4.36Å
484L84.3Confident86.6Confident82 Ų8250.8 Ų50.843%0.42930%0.297SS..G310 helixtrans-56.5-37.7176-75.5169.8000112.8E477 P481 G482 K486 F487E477-L484 HydrophobicContact CG-CD1 4.44Å; E477-L484 HydrophobicContact CG-CD2 3.79Å; E477-L484 HydrophobicContact CG-CG 3.83Å; P481-L484 WeakPolarHBondContact O-CB 3.3Å; P481-L484 PolarHBondContact O-N 3.45Å; P481-L484 VanDerWaalsContact O-N 3.15Å; G482-L484 VanDerWaalsContact C-N 3.29Å; G482-L484 PolarHBondContact O-N 2.96Å; L484-K486 PolarHBondContact O-N 3.08Å; L484-K486 VanDerWaalsContact O-N 3.14Å; L484-F487 HydrophobicContact CD2-CD2 3.9Å; L484-F487 HydrophobicContact CD2-CE2 3.81Å; L484-F487 PolarHBondContact O-N 3.29Å; L484-F487 VanDerWaalsContact O-N 3.17Å
485A84Confident86.3Confident96 Ų9653.3 Ų53.379%0.79331%0.308SS*.G310 helixtrans-66.4-14-179.500000113.5G482 M483G482-A485 PolarHBondContact O-N 2.89Å; M483-A485 VanDerWaalsContact C-N 3.26Å; M483-A485 PolarHBondContact O-N 3.25Å
486K84.2Confident85.8Confident109 Ų10957.9 Ų57.947%0.47433%0.331SS..G310 helixtrans-100.4-3.4179.7-59.2170.7179.7173.90112.8E441 L444 M483 L484E441-K486 IonicContact OE1-NZ 2.95Å; E441-K486 PolarHBondContact OE1-NZ 2.36Å; L444-K486 HydrophobicContact CD2-CB 3.46Å; L444-K486 VanDerWaalsContact CD2-CB 3.46Å; L444-K486 HydrophobicContact CD2-CD 3.9Å; L444-K486 HydrophobicContact CD2-CG 4.32Å; M483-K486 WeakPolarHBondContact O-CB 3.31Å; M483-K486 PolarHBondContact O-N 2.84Å; L484-K486 PolarHBondContact O-N 3.08Å; L484-K486 VanDerWaalsContact O-N 3.14Å
487F87.3Confident85.4Confident37 Ų3761.8 Ų61.816%0.16235%0.347CS..  trans-79.8133.5-175.7-72.8-2.7000112.9L444 L448 V473 L474 E477 M483 L484 V491L444-F487 HydrophobicContact CD1-CD1 4.45Å; L444-F487 HydrophobicContact CD1-CE1 3.99Å; L444-F487 HydrophobicContact CD2-CD1 4.35Å; L444-F487 HydrophobicContact CD2-CE1 4.36Å; L448-F487 HydrophobicContact CD1-CD1 4Å; L448-F487 HydrophobicContact CD1-CE1 4.41Å; V473-F487 HydrophobicContact CG1-CE1 3.47Å; V473-F487 VanDerWaalsContact CG1-CE1 3.47Å; V473-F487 HydrophobicContact CG1-CZ 3.51Å; L474-F487 HydrophobicContact CD2-CE2 4.1Å; E477-F487 HydrophobicContact CB-CZ 4.39Å; E477-F487 HydrophobicContact CG-CE2 4.33Å; E477-F487 HydrophobicContact CG-CZ 4.42Å; M483-F487 HydrophobicContact CB-CE1 4.48Å; M483-F487 HydrophobicContact CE-CE1 4.23Å; M483-F487 HydrophobicContact CE-CZ 4.08Å; M483-F487 HydrophobicContact CG-CE1 3.8Å; M483-F487 HydrophobicContact CG-CZ 4.4Å; M483-F487 WeakPolarHBondContact O-CD1 3.45Å; M483-F487 HydrophobicContact SD-CE1 4.36Å; L484-F487 HydrophobicContact CD2-CD2 3.9Å; L484-F487 HydrophobicContact CD2-CE2 3.81Å; L484-F487 PolarHBondContact O-N 3.29Å; L484-F487 VanDerWaalsContact O-N 3.17Å; F487-V491 HydrophobicContact CB-CB 4.34Å; F487-V491 HydrophobicContact CB-CG1 4.4Å; F487-V491 HydrophobicContact CD2-CG1 3.79Å; F487-V491 HydrophobicContact CE2-CG1 4.24Å; F487-V491 HydrophobicContact CG-CG1 4.15Å
488P84.3Confident85.2Confident25 Ų2560.6 Ų60.616%0.16234%0.341CS..  trans-59.7147.8166.7-25.836.1000112.9T450 H490 V491T450-P488 HydrophobicContact CG2-CG 3.36Å; P488-H490 PolarHBondContact O-N 3.1Å; P488-H490 VanDerWaalsContact O-N 3.07Å; P488-V491 HydrophobicContact CB-CG2 4.35Å; P488-V491 HydrophobicContact CG-CG2 4.45Å; P488-V491 WeakPolarHBondContact O-CB 3.33Å; P488-V491 PolarHBondContact O-N 3.24Å
489R81.3Confident85Confident239 Ų23961.7 Ų61.790%0.90234%0.34SS*.Hα-helixtrans-51.9-36.1-178.7-65.9-179.2-179.4168.9-0.1113.9V491 A492R489-V491 VanDerWaalsContact C-N 3.28Å; R489-V491 PolarHBondContact O-N 2.96Å; R489-A492 PolarHBondContact O-N 3.34Å
490H83.3Confident84.8Confident36 Ų3665.4 Ų65.417%0.16735%0.349CS..Hα-helixtrans-64.5-30.7-179.961.8-117.5000113E458 Y466 P488 A492 S493 T494E458-H490 VanDerWaalsContact CD-CB 3.47Å; E458-H490 HydrophobicContact CG-CB 3.91Å; Y466-H490 PolarHBondContact OH-CD2 2.53Å; Y466-H490 PolarHBondContact OH-NE2 3.43Å; P488-H490 PolarHBondContact O-N 3.1Å; P488-H490 VanDerWaalsContact O-N 3.07Å; H490-A492 VanDerWaalsContact C-N 3.26Å; H490-A492 PolarHBondContact O-N 2.95Å; H490-S493 WeakPolarHBondContact O-CB 3.22Å; H490-S493 PolarHBondContact O-N 3.45Å; H490-S493 PolarHBondContact O-OG 3.41Å; H490-T494 PolarHBondContact O-N 3.2Å; H490-T494 PolarHBondContact O-OG1 3.38Å
491V87.2Confident84.5Confident1 Ų168.1 Ų68.11%0.00636%0.363CS..Hα-helixtrans-60.9-35.8-179175.20000111.3L448 L470 L474 F487 P488 R489 S493 T494 K495L448-V491 HydrophobicContact CD1-CG2 4.48Å; L470-V491 HydrophobicContact CD2-CG1 3.84Å; L470-V491 HydrophobicContact CD2-CG2 4.31Å; L474-V491 HydrophobicContact CD2-CG1 4.31Å; F487-V491 HydrophobicContact CB-CB 4.34Å; F487-V491 HydrophobicContact CB-CG1 4.4Å; F487-V491 HydrophobicContact CD2-CG1 3.79Å; F487-V491 HydrophobicContact CE2-CG1 4.24Å; F487-V491 HydrophobicContact CG-CG1 4.15Å; P488-V491 HydrophobicContact CB-CG2 4.35Å; P488-V491 HydrophobicContact CG-CG2 4.45Å; P488-V491 WeakPolarHBondContact O-CB 3.33Å; P488-V491 PolarHBondContact O-N 3.24Å; R489-V491 VanDerWaalsContact C-N 3.28Å; R489-V491 PolarHBondContact O-N 2.96Å; V491-S493 VanDerWaalsContact C-N 3.33Å; V491-S493 PolarHBondContact O-N 2.94Å; V491-T494 PolarHBondContact O-N 3.04Å; V491-K495 WeakPolarHBondContact O-CB 3.16Å; V491-K495 PolarHBondContact O-N 3.43Å
492A83.4Confident84.8Confident62 Ų6265.3 Ų65.351%0.51234%0.344SS..Hα-helixtrans-62.4-39.8174.700000112.1R489 H490 I496R489-A492 PolarHBondContact O-N 3.34Å; H490-A492 VanDerWaalsContact C-N 3.26Å; H490-A492 PolarHBondContact O-N 2.95Å; A492-I496 PolarHBondContact O-N 3.22Å
493S83.4Confident84.8Confident49 Ų4967.2 Ų67.234%0.34335%0.348SS..Hα-helixtrans-67.7-41.7175.978.40000112.1K461 H490 V491 K495 I496 Y497K461-S493 PolarHBondContact NZ-OG 2.77Å; H490-S493 WeakPolarHBondContact O-CB 3.22Å; H490-S493 PolarHBondContact O-N 3.45Å; H490-S493 PolarHBondContact O-OG 3.41Å; V491-S493 VanDerWaalsContact C-N 3.33Å; V491-S493 PolarHBondContact O-N 2.94Å; S493-K495 VanDerWaalsContact C-N 3.35Å; S493-I496 PolarHBondContact O-N 3.04Å; S493-Y497 PolarHBondContact O-N 3.06Å
494T84.9Confident84.8Confident1 Ų172.3 Ų72.31%0.00638%0.383CS..Hα-helixtrans-75.8-23.8-179.6-34.30000112.3Y466 L467 L470 H490 V491 Y497 L498Y466-T494 HydrophobicContact CE1-CG2 4.33Å; L467-T494 HydrophobicContact CD2-CG2 4.15Å; L470-T494 HydrophobicContact CD1-CG2 3.39Å; H490-T494 PolarHBondContact O-N 3.2Å; H490-T494 PolarHBondContact O-OG1 3.38Å; V491-T494 PolarHBondContact O-N 3.04Å; T494-Y497 HydrophobicContact CG2-CD1 4.35Å; T494-Y497 PolarHBondContact O-N 3.42Å; T494-L498 WeakPolarHBondContact O-CB 3.31Å; T494-L498 WeakPolarHBondContact O-CG 3.46Å; T494-L498 PolarHBondContact O-N 3.08Å
495K87.3Confident85Confident53 Ų5369.6 Ų69.623%0.2337%0.369CS..Hα-helixtrans-62-44.6170.3-176.8177.3-177.5173.80111.2L474 E477 V491 S493 L498 Q499L474-K495 HydrophobicContact CD1-CB 4.08Å; L474-K495 HydrophobicContact CD1-CG 4.1Å; L474-K495 HydrophobicContact CD2-CB 4.17Å; L474-K495 HydrophobicContact CD2-CD 3.84Å; L474-K495 HydrophobicContact CD2-CG 3.97Å; E477-K495 IonicContact OE1-NZ 3.78Å; E477-K495 PolarHBondContact OE1-NZ 3.42Å; E477-K495 WeakPolarHBondContact OE2-CE 3.09Å; E477-K495 IonicContact OE2-NZ 2.77Å; E477-K495 PolarHBondContact OE2-NZ 3.49Å; V491-K495 WeakPolarHBondContact O-CB 3.16Å; V491-K495 PolarHBondContact O-N 3.43Å; S493-K495 VanDerWaalsContact C-N 3.35Å; K495-L498 PolarHBondContact O-N 3.27Å; K495-Q499 WeakPolarHBondContact O-CG 3.39Å; K495-Q499 PolarHBondContact O-N 3.44Å
496I83.8Confident85.2Confident99 Ų9965.6 Ų65.651%0.50833%0.334SS..Hα-helixtrans-63-48.9176.8-61.9168.6000110.1A492 S493 L498 Q499 E500A492-I496 PolarHBondContact O-N 3.22Å; S493-I496 PolarHBondContact O-N 3.04Å; I496-L498 VanDerWaalsContact C-N 3.32Å; I496-L498 PolarHBondContact O-N 2.94Å; I496-Q499 WeakPolarHBondContact O-CB 3.47Å; I496-Q499 PolarHBondContact O-N 2.98Å; I496-E500 PolarHBondContact O-N 3.27Å; I496-E500 VanDerWaalsContact O-N 3.11Å
497Y85.5Confident84.9Confident82 Ų8262 Ų6232%0.32232%0.321SS..Hα-helixtrans-56.6-42.1175.8176.3-116000112.9S493 T494 E500 L501S493-Y497 PolarHBondContact O-N 3.06Å; T494-Y497 HydrophobicContact CG2-CD1 4.35Å; T494-Y497 PolarHBondContact O-N 3.42Å; Y497-E500 PolarHBondContact O-N 2.79Å; Y497-L501 HydrophobicContact CE1-CD2 4.21Å; Y497-L501 WeakPolarHBondContact O-CB 3.31Å; Y497-L501 PolarHBondContact O-N 3.07Å
498L86.1Confident83.8Confident0 Ų069 Ų690%035%0.352CS..Hα-helixtrans-70.1-27.2175.3-81.9169.2000113.7L467 L470 L471 L474 T494 K495 I496 L502 L506L467-L498 HydrophobicContact CD2-CD1 4.17Å; L467-L498 HydrophobicContact CD2-CD2 4Å; L467-L498 HydrophobicContact CD2-CG 4.13Å; L470-L498 HydrophobicContact CB-CD1 3.75Å; L470-L498 HydrophobicContact CD1-CD1 4.04Å; L470-L498 HydrophobicContact CG-CD1 4.49Å; L471-L498 HydrophobicContact CD2-CD2 4.25Å; L471-L498 HydrophobicContact CG-CD2 4.4Å; L474-L498 HydrophobicContact CD1-CD1 3.9Å; T494-L498 WeakPolarHBondContact O-CB 3.31Å; T494-L498 WeakPolarHBondContact O-CG 3.46Å; T494-L498 PolarHBondContact O-N 3.08Å; K495-L498 PolarHBondContact O-N 3.27Å; I496-L498 VanDerWaalsContact C-N 3.32Å; I496-L498 PolarHBondContact O-N 2.94Å; L498-L502 HydrophobicContact CD2-CD1 3.9Å; L498-L502 CarbonylContact O-C 3.56Å; L498-L502 WeakPolarHBondContact O-CA 3.36Å; L498-L502 PolarHBondContact O-N 2.89Å; L498-L506 HydrophobicContact CB-CD1 3.99Å
499Q85.9Confident82Confident91 Ų9174.7 Ų74.743%0.42539%0.386SS..Hα-helixtrans-69.7-34.6172.7-75.7174.4-41.200112K495 I496 P503 L506K495-Q499 WeakPolarHBondContact O-CG 3.39Å; K495-Q499 PolarHBondContact O-N 3.44Å; I496-Q499 WeakPolarHBondContact O-CB 3.47Å; I496-Q499 PolarHBondContact O-N 2.98Å; Q499-P503 WeakPolarHBondContact O-CB 3.46Å; Q499-P503 WeakPolarHBondContact O-CD 3.19Å; Q499-L506 HydrophobicContact CB-CD1 4.28Å; Q499-L506 HydrophobicContact CG-CD1 3.45Å; Q499-L506 VanDerWaalsContact CG-CD1 3.45Å
500E84.5Confident80Confident153 Ų15369.2 Ų69.272%0.71538%0.38SS*.Hα-helixtrans-75.5-43.9173.7-65.4179.516500111.8I496 Y497I496-E500 PolarHBondContact O-N 3.27Å; I496-E500 VanDerWaalsContact O-N 3.11Å; Y497-E500 PolarHBondContact O-N 2.79Å
501L84.5Confident77.5Confident81 Ų8174 Ų7442%0.42441%0.411SS..Hα-helixtrans-74.8-39.9-175.8-168.672.9000113.6Y497Y497-L501 HydrophobicContact CE1-CD2 4.21Å; Y497-L501 WeakPolarHBondContact O-CB 3.31Å; Y497-L501 PolarHBondContact O-N 3.07Å
502L86.2Confident74.7Confident29 Ų2980.8 Ų80.815%0.15245%0.447CS..  trans-138.352.5-169.5-63.2169.2000112.9W426 L471 L498 S504 L505W426-L502 HydrophobicContact CD2-CD1 4.3Å; W426-L502 HydrophobicContact CE3-CD1 3.6Å; W426-L502 HydrophobicContact CE3-CD2 4.3Å; W426-L502 HydrophobicContact CH2-CD1 4.41Å; W426-L502 HydrophobicContact CZ3-CD1 3.68Å; W426-L502 HydrophobicContact CZ3-CD2 4.3Å; L471-L502 HydrophobicContact CD1-CD1 4.13Å; L471-L502 HydrophobicContact CD2-CD1 4.49Å; L498-L502 HydrophobicContact CD2-CD1 3.9Å; L498-L502 CarbonylContact O-C 3.56Å; L498-L502 WeakPolarHBondContact O-CA 3.36Å; L498-L502 PolarHBondContact O-N 2.89Å; L502-S504 PolarHBondContact O-N 3.37Å; L502-L505 HydrophobicContact CB-CB 4.32Å; L502-L505 HydrophobicContact CB-CD1 4.35Å; L502-L505 HydrophobicContact CB-CG 4.36Å; L502-L505 HydrophobicContact CD1-CD1 4.23Å; L502-L505 HydrophobicContact CD2-CD1 4.21Å; L502-L505 HydrophobicContact CG-CD1 4.5Å; L502-L505 PolarHBondContact O-N 3.24Å
503P84Confident72Confident87 Ų8785.9 Ų85.957%0.56547%0.466SS*.THydrogen-bonded Turntrans-59-21.4-174.621.9-33.4000114.7Q499Q499-P503 WeakPolarHBondContact O-CB 3.46Å; Q499-P503 WeakPolarHBondContact O-CD 3.19Å
504S86.4Confident69.2Low107 Ų10791 Ų9175%0.74848%0.484SS*.THydrogen-bonded Turntrans-81.7-14.1177.157.20000114.5L502L502-S504 PolarHBondContact O-N 3.37Å
505L86.9Confident66.4Low24 Ų2499.4 Ų99.413%0.12652%0.521CS..SBendtrans-102.7-1.7-178.3-57.2-170.7000113.6W426 R427 A430 L471 N475 L502W426-L505 HydrophobicContact CB-CD1 4.04Å; R427-L505 HydrophobicContact CG-CD1 4.5Å; R427-L505 HydrophobicContact CG-CD2 3.7Å; A430-L505 HydrophobicContact CB-CB 4.41Å; L471-L505 HydrophobicContact CD1-CD1 4.5Å; L471-L505 HydrophobicContact CD2-CB 4.15Å; N475-L505 PolarHBondContact ND2-O 3.42Å; N475-L505 PolarHBondContact OD1-O 3.08Å; L502-L505 HydrophobicContact CB-CB 4.32Å; L502-L505 HydrophobicContact CB-CD1 4.35Å; L502-L505 HydrophobicContact CB-CG 4.36Å; L502-L505 HydrophobicContact CD1-CD1 4.23Å; L502-L505 HydrophobicContact CD2-CD1 4.21Å; L502-L505 HydrophobicContact CG-CD1 4.5Å; L502-L505 PolarHBondContact O-N 3.24Å
506L88.5Confident63.5Low13 Ų13105.7 Ų105.77%0.06855%0.551CS.*SBendtrans-107.1156.2177.5-71.9179.1000112L471 L474 L498 Q499L471-L506 HydrophobicContact CD2-CD2 4.19Å; L474-L506 HydrophobicContact CB-CD2 3.75Å; L474-L506 HydrophobicContact CD1-CD2 4.2Å; L498-L506 HydrophobicContact CB-CD1 3.99Å; Q499-L506 HydrophobicContact CB-CD1 4.28Å; Q499-L506 HydrophobicContact CG-CD1 3.45Å; Q499-L506 VanDerWaalsContact CG-CD1 3.45Å
507P79.4Confident60.6Low32 Ų32108 Ų10821%0.20856%0.564CS.*PPolyproline II helixtrans-63.3136.3177.4-19.632.3000112.5L474 P478L474-P507 WeakPolarHBondContact O-CG 3.34Å; P478-P507 HydrophobicContact CG-CB 3.42Å; P478-P507 VanDerWaalsContact CG-CB 3.42Å; P478-P507 HydrophobicContact CG-CG 3.4Å
508K62.4Low57.7Low185 Ų185111 Ų11180%0.80459%0.591SS**PPolyproline II helixtrans-78.7127.3166.8-60.9-177.6-178-178.10108.5V510K508-V510 PolarHBondContact O-N 3.13Å
509T47.5Very low54.7Low144 Ų144115.8 Ų115.888%0.88362%0.624SS**PPolyproline II helixtrans-68.9119173.445.80000109.9
510V40.2Very low52.1Low125 Ų125116.5 Ų116.576%0.75864%0.637SS**PPolyproline II helixtrans-101.6136.3176.4-178.50000108.3K508K508-V510 PolarHBondContact O-N 3.13Å
511V30.6Very low49.2Very low136 Ų136115.9 Ų115.982%0.82464%0.638SS**PPolyproline II helixtrans-79.8138.3171.9177.50000108.3
512N27.4Very low46.2Very low143 Ų143119 Ų11977%0.76566%0.655SS**PPolyproline II helixtrans-60.5136.4-177.5-60.3-8.1000112
513D26.9Very low43.1Very low169 Ų169125.3 Ų125.390%0.90469%0.688SS**  trans-126.4144.9150.3-102.5-43.5000107.5
514E24.1Very low40.5Very low156 Ų156125.7 Ų125.773%0.72969%0.69SS**  trans-98.7178-169.6-61-176.1141.900112.6
515F26.3Very low37.5Very low178 Ų178126.9 Ų126.978%0.78169%0.689SS**  trans70.2136.4178.8-46.6-85.3000114.4
516Q26.5Very low34.5Very low186 Ų186134.8 Ų134.887%0.86972%0.722SS**  cis-136.8161.128.2-72178.9-11.500114.5
517N23.4Very low31.4Very low146 Ų146143.2 Ų143.278%0.78176%0.758SS**  trans-79.5158.2-179.3-52.1-59.1000113.1
518V24.1Very low28.7Very low145 Ų145148.8 Ų148.888%0.87979%0.785SS**  163.6142.6111.4162.40000110.3
519S23.8Very low26.8Very low101 Ų101145.1 Ų145.171%0.70678%0.782SS**  trans-133.6-168.7174.361.40000108.6
520P30.7Very low25.6Very low106 Ų106145.4 Ų145.469%0.68878%0.777SS**  cis-121.5-174.4-39.921.11.6000111
521L23Very low24.9Very low141 Ų141141.8 Ų141.874%0.73876%0.755SS**  166.3129.2126.7-108.267.3000114.7
522D22.5Very low24.6Very low145 Ų145140.9 Ų140.978%0.77575%0.75SS**  trans68152.4132.1-60.6-2.9000127
523L21.4Very low24.5Very low162 Ų162136.2 Ų136.285%0.84873%0.725SS**  trans-104.8-170.3-171.4-102.273.8000110.3
524P28.7Very low24.6Very low95 Ų95131.7 Ų131.762%0.61771%0.712SS**  cis-144.3-177.1-4441-23.5000115.6
525N23.8Very low24.9Very low133 Ų133129.7 Ų129.771%0.71171%0.706SS**  trans68.2131.8139.3-80-38.6000124.6
526K22.9Very low25.2Very low189 Ų189124.6 Ų124.682%0.82269%0.687SS**  trans65.1132.6142-64.8177.7178.5-179.30118.2
527K22.9Very low25.4Very low191 Ų191119 Ų11983%0.8366%0.663SS**  -156.8138.170.2-97.9-175.2177.81800110.5
528L23.4Very low25.8Very low149 Ų149114.5 Ų114.578%0.7865%0.651SS**  90.3103.881.2-167.581.9000113
529C23.4Very low26.1Very low108 Ų108113 Ų11373%0.7364%0.642SS**  trans-83153.8167.2-51.20000111.2
530L22.6Very low26.4Very low149 Ų149113.5 Ų113.578%0.7864%0.637SS**  trans-152.190.3152.3-84.3-170.1000112.3
531T23.8Very low26.3Very low50 Ų50111.5 Ų111.531%0.30762%0.62SS.*  60123.3115.659.40000126.2D288D288-T531 HydrophobicContact CB-CG2 4.14Å; D288-T531 CarbonylContact O-C 3.51Å; D288-T531 WeakPolarHBondContact O-CA 3.48Å; D288-T531 WeakPolarHBondContact O-CB 3.18Å; D288-T531 VanDerWaalsContact O-CG2 3.25Å; D288-T531 WeakPolarHBondContact O-CG2 3.33Å
532T25.4Very low26.6Very low116 Ų116105 Ų10571%0.71259%0.587SS**  -161.3152.1115.228.60000114D288 S289D288-T532 CarbonylContact O-C 3.51Å; D288-T532 VanDerWaalsContact O-C 3.24Å; D288-T532 WeakPolarHBondContact O-CA 3.44Å; D288-T532 PolarHBondContact O-N 3.08Å; D288-T532 WeakPolarHBondContact OD1-CA 3.48Å; S289-T532 WeakPolarHBondContact CA-O 3.4Å
533D24.6Very low27.2Very low45 Ų4598.9 Ų98.924%0.24156%0.556CS.*  trans-106.9179.9-177.8-97.8-8.5000114.5S287 D288 S289 I290S287-D533 VanDerWaalsContact O-OD2 3.13Å; D288-D533 VanDerWaalsContact CA-CB 3.43Å; D288-D533 VanDerWaalsContact CA-N 3.31Å; D288-D533 HydrophobicContact CB-CB 4.45Å; D288-D533 VanDerWaalsContact N-CG 3.32Å; D288-D533 PolarHBondContact N-OD2 3.32Å; D288-D533 PolarHBondContact OD1-N 3.41Å; S289-D533 WeakPolarHBondContact CA-OD1 3.37Å; S289-D533 VanDerWaalsContact N-CG 3.3Å; S289-D533 PolarHBondContact N-OD1 2.89Å; I290-D533 PolarHBondContact N-OD1 3.49Å
534A29.5Very low27.8Very low75 Ų7592.9 Ų92.962%0.6253%0.527SS*.  trans100.211313600000116.6
535D30.3Very low28.2Very low113 Ų11394.2 Ų94.260%0.60453%0.528SS*.  76.8136.664.6-85.527000112.2R247R247-D535 IonicContact NH1-OD2 3.14Å; R247-D535 PolarHBondContact NH1-OD2 2.95Å
536D33.5Very low28.7Very low71 Ų7194.2 Ų94.238%0.3853%0.525SS..  cis-167.8163.9-10.7-178.527.1000108.7R251R251-D536 IonicContact CZ-OD2 2.69Å; R251-D536 IonicContact NH1-OD2 2.91Å; R251-D536 PolarHBondContact NH1-OD2 3.4Å; R251-D536 IonicContact NH2-OD2 3.76Å; R251-D536 PolarHBondContact NH2-OD2 2.79Å
537D30.2Very low29.5Very low69 Ų6986.9 Ų86.937%0.36949%0.494SS..  trans20.5151.9162.8-79.2-21.9000122.7S182 R251S182-D537 WeakPolarHBondContact CB-OD1 3.43Å; S182-D537 PolarHBondContact N-OD1 2.67Å; R251-D537 IonicContact CZ-OD2 3.53Å; R251-D537 IonicContact NH1-OD2 3.37Å
538G30.9Very low30.3Very low52 Ų5282 Ų8254%0.53647%0.474SS..  cis-178.2-15016.500000109.6
539T30.8Very low31.1Very low112 Ų11277.6 Ų77.669%0.68746%0.455SS*.  cis-172.6137.1-12.120.50000110
540L29.3Very low32.5Very low113 Ų11374.2 Ų74.259%0.59243%0.432SS*.  trans66.8151.4149.6-59.6172.2000121.7
541N29.8Very low33.8Very low63 Ų6367.9 Ų67.934%0.33740%0.399SS..  cis-175.6108.9-18.9175.748.6000115.9E810 Q811N541-E810 CarbonylContact O-C 3.56Å; N541-Q811 CarbonylContact C-O 3.53Å; N541-Q811 PolarHBondContact N-O 2.71Å; N541-Q811 CarbonylContact O-C 3.6Å; N541-Q811 VanDerWaalsContact O-C 3.31Å; N541-Q811 VanDerWaalsContact O-CA 3.23Å; N541-Q811 WeakPolarHBondContact O-CA 3.47Å; N541-Q811 VanDerWaalsContact O-CB 3.29Å; N541-Q811 WeakPolarHBondContact O-CB 3.21Å; N541-Q811 PolarHBondContact O-N 3.05Å; N541-Q811 VanDerWaalsContact O-N 3.15Å
542G28.8Very low35.2Very low5 Ų568.3 Ų68.35%0.05240%0.396CS..  trans125.692.414300000121.3E810 Q811 F812G542-E810 CarbonylContact O-C 3.59Å; G542-E810 WeakPolarHBondContact O-CA 3.4Å; G542-Q811 PolarHBondContact N-O 3.02Å; G542-Q811 CarbonylContact O-C 3.56Å; G542-Q811 PolarHBondContact O-N 2.66Å; G542-F812 PolarHBondContact O-N 3.27Å
543S34.7Very low36.5Very low17 Ų1770 Ų7012%0.11939%0.393CS..  trans-113.5-10.317145.40000114.2I545 M546 E547 F812S543-I545 PolarHBondContact O-N 3.04Å; S543-M546 PolarHBondContact O-N 3.28Å; S543-E547 WeakPolarHBondContact CB-OE1 3.4Å; S543-E547 PolarHBondContact OG-OE1 2.92Å; S543-F812 VanDerWaalsContact CA-O 3.25Å; S543-F812 WeakPolarHBondContact CA-O 3.46Å; S543-F812 VanDerWaalsContact CB-O 3.24Å; S543-F812 WeakPolarHBondContact CB-O 3.46Å
544S35.5Very low37.8Very low36 Ų3670.6 Ų70.625%0.25239%0.394SS..Hα-helixtrans-68.4-9.3-149.158.50000117.1M809S544-M809 WeakPolarHBondContact OG-CE 3.28Å
545I36.9Very low39Very low123 Ų12367.5 Ų67.563%0.63137%0.367SS*.Hα-helixtrans-77.5-31.8-176.8-62177.7000111.5S543 M809S543-I545 PolarHBondContact O-N 3.04Å; I545-M809 HydrophobicContact CD1-CB 4.09Å; I545-M809 HydrophobicContact CG1-CB 4.26Å
546M33.7Very low40.2Very low133 Ų13362.9 Ų62.966%0.65534%0.344SS*.Hα-helixtrans-80.4-39.9-178.2-161.490.876.800112.5S543 H548 C549S543-M546 PolarHBondContact O-N 3.28Å; M546-H548 PolarHBondContact O-N 3.34Å; M546-C549 PolarHBondContact O-N 3.48Å
547E40Very low41.1Very low34 Ų3461.8 Ų61.816%0.15934%0.342CS..Hα-helixtrans-62.4-43.2-164.9-66.1163.9-178.600113.9S543 C549 S550 Y816S543-E547 WeakPolarHBondContact CB-OE1 3.4Å; S543-E547 PolarHBondContact OG-OE1 2.92Å; E547-C549 PolarHBondContact O-N 2.56Å; E547-S550 PolarHBondContact O-N 2.9Å; E547-S550 PolarHBondContact O-OG 3.47Å; E547-Y816 HydrophobicContact CG-CD1 4.11Å; E547-Y816 HydrophobicContact CG-CG 4.18Å; E547-Y816 WeakPolarHBondContact OE1-CD2 3.3Å; E547-Y816 VanDerWaalsContact OE1-CG 3.24Å
548H38.9Very low42.2Very low90 Ų9059.4 Ų59.442%0.41733%0.33SS..Hα-helixtrans-65.7-25.3-174.9-73.7-43.6000113.6M546 S550 Y552M546-H548 PolarHBondContact O-N 3.34Å; H548-S550 PolarHBondContact O-N 3.15Å; H548-Y552 HydrophobicContact CB-CE2 4.3Å; H548-Y552 WeakPolarHBondContact O-CD2 3.14Å
549C41Very low43.5Very low56 Ų5657 Ų5738%0.37831%0.305SS..Hα-helixtrans-75.3-19-177.4-84.50000114.6M546 E547 K553M546-C549 PolarHBondContact O-N 3.48Å; E547-C549 PolarHBondContact O-N 2.56Å; C549-K553 VanDerWaalsContact O-CD 3.26Å; C549-K553 WeakPolarHBondContact O-CD 3.46Å; C549-K553 WeakPolarHBondContact O-CG 3.44Å
550S52.8Low44.8Very low36 Ų3653.8 Ų53.825%0.25229%0.287SS..Hα-helixtrans-82.6-46.8177.964.40000111.5E547 H548 Y552 K553 F554E547-S550 PolarHBondContact O-N 2.9Å; E547-S550 PolarHBondContact O-OG 3.47Å; H548-S550 PolarHBondContact O-N 3.15Å; S550-Y552 PolarHBondContact O-N 3.04Å; S550-K553 PolarHBondContact O-N 2.74Å; S550-F554 PolarHBondContact O-N 3.4Å
551L50.3Low45.9Very low16 Ų1654 Ų548%0.08428%0.279CS..Hα-helixtrans-58.7-49.6-175-168.676.5000112.8K553 F554 I555 I621 L624 L630L551-K553 VanDerWaalsContact C-N 3.34Å; L551-K553 PolarHBondContact O-N 2.99Å; L551-F554 WeakPolarHBondContact O-CB 3.43Å; L551-F554 PolarHBondContact O-N 3.49Å; L551-I555 HydrophobicContact CD2-CD1 4.42Å; L551-I555 HydrophobicContact CG-CD1 3.99Å; L551-I555 WeakPolarHBondContact O-CG1 3.18Å; L551-I555 PolarHBondContact O-N 3.47Å; L551-I621 HydrophobicContact CD1-CG1 4.15Å; L551-L624 HydrophobicContact CD1-CB 4.08Å; L551-L624 HydrophobicContact CD1-CD1 3.72Å; L551-L624 HydrophobicContact CD2-CB 4.37Å; L551-L630 HydrophobicContact CD2-CD1 4.16Å
552Y52.2Low47.1Very low60 Ų6051.7 Ų51.724%0.23527%0.267CS..Hα-helixtrans-66.1-35.7-177.9-63.2-57.2000112.6H548 S550 A556 L630 L777 L780H548-Y552 HydrophobicContact CB-CE2 4.3Å; H548-Y552 WeakPolarHBondContact O-CD2 3.14Å; S550-Y552 PolarHBondContact O-N 3.04Å; Y552-A556 WeakPolarHBondContact O-CB 3.49Å; Y552-A556 PolarHBondContact O-N 3.49Å; Y552-L630 HydrophobicContact CE1-CD1 3.91Å; Y552-L630 HydrophobicContact CE1-CD2 4.19Å; Y552-L777 HydrophobicContact CD1-CD2 4.07Å; Y552-L780 HydrophobicContact CE1-CD1 4.48Å
553K53.5Low48.5Very low152 Ų15251.7 Ų51.766%0.66127%0.266SS*.Hα-helixtrans-67-41.2174.1-67.9177.8-171.9172.60111.7C549 S550 L551 S557C549-K553 VanDerWaalsContact O-CD 3.26Å; C549-K553 WeakPolarHBondContact O-CD 3.46Å; C549-K553 WeakPolarHBondContact O-CG 3.44Å; S550-K553 PolarHBondContact O-N 2.74Å; L551-K553 VanDerWaalsContact C-N 3.34Å; L551-K553 PolarHBondContact O-N 2.99Å; K553-S557 VanDerWaalsContact O-CB 3.29Å; K553-S557 WeakPolarHBondContact O-CB 3.42Å; K553-S557 PolarHBondContact O-N 2.89Å
554F51.3Low49.5Very low56 Ų5657.7 Ų57.725%0.24629%0.29CS..Hα-helixtrans-60.5-48.5175173.5-104.6000111.5S550 L551 S557 T558 L617S550-F554 PolarHBondContact O-N 3.4Å; L551-F554 WeakPolarHBondContact O-CB 3.43Å; L551-F554 PolarHBondContact O-N 3.49Å; F554-S557 WeakPolarHBondContact O-CB 3.34Å; F554-S557 PolarHBondContact O-N 3.11Å; F554-T558 HydrophobicContact CE2-CG2 4.26Å; F554-T558 HydrophobicContact CZ-CG2 4.27Å; F554-T558 PolarHBondContact O-N 2.87Å; F554-T558 PolarHBondContact O-OG1 3.22Å; F554-L617 HydrophobicContact CD1-CD1 4.29Å; F554-L617 HydrophobicContact CE1-CD1 3.43Å; F554-L617 VanDerWaalsContact CE1-CD1 3.43Å; F554-L617 HydrophobicContact CE1-CG 4.04Å; F554-L617 HydrophobicContact CZ-CD1 3.83Å
555I54.5Low50.4Low11 Ų1157.7 Ų57.76%0.05629%0.287CS..Hα-helixtrans-63.6-45.1178.6-61166.8000111.2L551 S557 T558 I559 I621 L777L551-I555 HydrophobicContact CD2-CD1 4.42Å; L551-I555 HydrophobicContact CG-CD1 3.99Å; L551-I555 WeakPolarHBondContact O-CG1 3.18Å; L551-I555 PolarHBondContact O-N 3.47Å; I555-S557 VanDerWaalsContact C-N 3.29Å; I555-S557 PolarHBondContact O-N 3.05Å; I555-T558 PolarHBondContact O-N 3.38Å; I555-T558 PolarHBondContact O-OG1 3.47Å; I555-I559 HydrophobicContact CG2-CD1 3.89Å; I555-I559 WeakPolarHBondContact O-CD1 3.16Å; I555-I559 VanDerWaalsContact O-CG1 3.24Å; I555-I559 WeakPolarHBondContact O-CG1 3.09Å; I555-I559 PolarHBondContact O-N 3.14Å; I555-I559 VanDerWaalsContact O-N 3.17Å; I555-I621 HydrophobicContact CD1-CD1 3.6Å; I555-I621 HydrophobicContact CD1-CG1 4.19Å; I555-I621 HydrophobicContact CG1-CD1 3.86Å; I555-L777 HydrophobicContact CB-CD1 4.07Å; I555-L777 HydrophobicContact CG2-CD1 3.45Å; I555-L777 VanDerWaalsContact CG2-CD1 3.45Å
556A55.5Low51.4Low16 Ų1652.1 Ų52.113%0.13226%0.258CS..Hα-helixtrans-60.6-38.6176.100000112.3Y552 C560Y552-A556 WeakPolarHBondContact O-CB 3.49Å; Y552-A556 PolarHBondContact O-N 3.49Å; A556-C560 PolarHBondContact O-N 3.37Å; A556-C560 VanDerWaalsContact O-N 3.1Å; A556-C560 PolarHBondContact O-SG 3.02Å
557S52.4Low52.5Low47 Ų4749.3 Ų49.333%0.32925%0.245SC..Hα-helixtrans-64.7-43.3177.5-1740000112.8K553 F554 I555 C560 R561K553-S557 VanDerWaalsContact O-CB 3.29Å; K553-S557 WeakPolarHBondContact O-CB 3.42Å; K553-S557 PolarHBondContact O-N 2.89Å; F554-S557 WeakPolarHBondContact O-CB 3.34Å; F554-S557 PolarHBondContact O-N 3.11Å; I555-S557 VanDerWaalsContact C-N 3.29Å; I555-S557 PolarHBondContact O-N 3.05Å; S557-C560 PolarHBondContact O-N 3.41Å; S557-R561 WeakPolarHBondContact O-CG 3.41Å; S557-R561 PolarHBondContact O-N 3.38Å
558T53.1Low53.2Low20 Ų2051.8 Ų51.812%0.12326%0.258CS..Hα-helixtrans-68.4-38.9179.155.30000112.2F554 I555 C560 R561 I562 L617F554-T558 HydrophobicContact CE2-CG2 4.26Å; F554-T558 HydrophobicContact CZ-CG2 4.27Å; F554-T558 PolarHBondContact O-N 2.87Å; F554-T558 PolarHBondContact O-OG1 3.22Å; I555-T558 PolarHBondContact O-N 3.38Å; I555-T558 PolarHBondContact O-OG1 3.47Å; T558-C560 PolarHBondContact O-N 2.99Å; T558-R561 PolarHBondContact O-N 3.24Å; T558-I562 WeakPolarHBondContact O-CG1 3.16Å; T558-I562 PolarHBondContact O-N 3.34Å; T558-L617 HydrophobicContact CG2-CD1 3.79Å
559I59.5Low53.9Low1 Ų148.3 Ų48.31%0.00524%0.243CC..Hα-helixtrans-61.4-45.9174-56.9159000110.5I555 R561 I562 C563 L637 L770 I773 I774 L777I555-I559 HydrophobicContact CG2-CD1 3.89Å; I555-I559 WeakPolarHBondContact O-CD1 3.16Å; I555-I559 VanDerWaalsContact O-CG1 3.24Å; I555-I559 WeakPolarHBondContact O-CG1 3.09Å; I555-I559 PolarHBondContact O-N 3.14Å; I555-I559 VanDerWaalsContact O-N 3.17Å; I559-R561 VanDerWaalsContact C-N 3.32Å; I559-R561 PolarHBondContact O-N 2.86Å; I559-I562 PolarHBondContact O-N 3.04Å; I559-I562 VanDerWaalsContact O-N 3.14Å; I559-C563 PolarHBondContact O-N 3.37Å; I559-C563 PolarHBondContact O-SG 3.29Å; I559-L637 HydrophobicContact CD1-CD1 3.46Å; I559-L637 VanDerWaalsContact CD1-CD1 3.46Å; I559-L637 HydrophobicContact CG1-CD1 3.6Å; I559-L637 HydrophobicContact CG1-CD2 4.05Å; I559-L637 HydrophobicContact CG1-CG 4.49Å; I559-L637 HydrophobicContact CG2-CD2 4.39Å; I559-L770 HydrophobicContact CG2-CB 4.36Å; I559-L770 HydrophobicContact CG2-CD2 4.44Å; I559-I773 HydrophobicContact CD1-CB 4.4Å; I559-I773 HydrophobicContact CD1-CG2 3.58Å; I559-I774 HydrophobicContact CB-CD1 4.19Å; I559-I774 HydrophobicContact CB-CG1 3.95Å; I559-I774 HydrophobicContact CG2-CD1 3.69Å; I559-I774 HydrophobicContact CG2-CG1 3.74Å; I559-L777 HydrophobicContact CD1-CD1 3.92Å
560C57Low54.6Low45 Ų4550.3 Ų50.330%0.30424%0.243SC..Hα-helixtrans-57.9-40175.2-80.70000113.2A556 S557 T558 K564 I774A556-C560 PolarHBondContact O-N 3.37Å; A556-C560 VanDerWaalsContact O-N 3.1Å; A556-C560 PolarHBondContact O-SG 3.02Å; S557-C560 PolarHBondContact O-N 3.41Å; T558-C560 PolarHBondContact O-N 2.99Å; C560-K564 WeakPolarHBondContact O-CG 3.26Å; C560-K564 PolarHBondContact O-N 3.4Å; C560-I774 HydrophobicContact CB-CD1 4.5Å; C560-I774 WeakPolarHBondContact SG-CD1 3.31Å
561R51.5Low54.7Low117 Ų11753.1 Ų53.144%0.44226%0.255SS..Hα-helixtrans-65.9-38.5176.2-70.7173.2-176.8-173.40.6111.3S557 T558 I559 K564 L565 S827S557-R561 WeakPolarHBondContact O-CG 3.41Å; S557-R561 PolarHBondContact O-N 3.38Å; T558-R561 PolarHBondContact O-N 3.24Å; I559-R561 VanDerWaalsContact C-N 3.32Å; I559-R561 PolarHBondContact O-N 2.86Å; R561-K564 PolarHBondContact O-N 2.97Å; R561-L565 PolarHBondContact O-N 3.14Å; R561-S827 PolarHBondContact NH1-O 3.46Å
562I55.8Low54.8Low15 Ų1557.3 Ų57.38%0.07728%0.275CS..Hα-helixtrans-71.7-39.7178.9-70.4171.4000112.2T558 I559 K564 L565 F566 F614T558-I562 WeakPolarHBondContact O-CG1 3.16Å; T558-I562 PolarHBondContact O-N 3.34Å; I559-I562 PolarHBondContact O-N 3.04Å; I559-I562 VanDerWaalsContact O-N 3.14Å; I562-K564 VanDerWaalsContact C-N 3.27Å; I562-K564 PolarHBondContact O-N 3.47Å; I562-L565 PolarHBondContact O-N 3.39Å; I562-L565 VanDerWaalsContact O-N 3.1Å; I562-F566 HydrophobicContact CG2-CD2 3.93Å; I562-F566 HydrophobicContact CG2-CE2 3.56Å; I562-F566 VanDerWaalsContact O-CD2 3.31Å; I562-F566 WeakPolarHBondContact O-CD2 3.46Å; I562-F566 PolarHBondContact O-N 2.87Å; I562-F614 HydrophobicContact CD1-CE1 3.84Å; I562-F614 HydrophobicContact CD1-CE2 3.79Å; I562-F614 HydrophobicContact CD1-CZ 3.28Å
563C58.9Low54.7Low4 Ų456.6 Ų56.63%0.02728%0.275CS..Hα-helixtrans-58-40.5173.8-630000111.9I559 F566 L567 L767I559-C563 PolarHBondContact O-N 3.37Å; I559-C563 PolarHBondContact O-SG 3.29Å; C563-F566 PolarHBondContact O-N 3.39Å; C563-L567 PolarHBondContact O-N 3.01Å; C563-L767 HydrophobicContact CB-CD1 4Å
564K54.9Low54.5Low143 Ų14351.7 Ų51.762%0.62226%0.259SS*.Hα-helixtrans-65.4-39.7174.7-70.3178.3178.9-174.80112.4C560 R561 I562 F566 L567 M568C560-K564 WeakPolarHBondContact O-CG 3.26Å; C560-K564 PolarHBondContact O-N 3.4Å; R561-K564 PolarHBondContact O-N 2.97Å; I562-K564 VanDerWaalsContact C-N 3.27Å; I562-K564 PolarHBondContact O-N 3.47Å; K564-F566 VanDerWaalsContact C-N 3.35Å; K564-F566 PolarHBondContact O-N 3.42Å; K564-L567 PolarHBondContact O-N 3.23Å; K564-M568 VanDerWaalsContact O-CG 3.3Å; K564-M568 WeakPolarHBondContact O-CG 3.33Å; K564-M568 PolarHBondContact O-N 3.19Å
565L54.3Low54.3Low36 Ų3652.4 Ų52.419%0.18827%0.272CS..Hα-helixtrans-63.8-37.2176.3-77.9165.2000112.8R561 I562 V569 L1076R561-L565 PolarHBondContact O-N 3.14Å; I562-L565 PolarHBondContact O-N 3.39Å; I562-L565 VanDerWaalsContact O-N 3.1Å; L565-V569 WeakPolarHBondContact O-CG2 3.47Å; L565-V569 PolarHBondContact O-N 2.86Å; L565-L1076 HydrophobicContact CD1-CD1 4.29Å; L565-L1076 HydrophobicContact CD1-CD2 4.43Å; L565-L1076 HydrophobicContact CD2-CD1 3.94Å; L565-L1076 HydrophobicContact CD2-CD2 4.17Å; L565-L1076 HydrophobicContact CD2-CG 4.11Å
566F57.6Low53.9Low7 Ų757.3 Ų57.33%0.03129%0.29CS..Hα-helixtrans-61.1-49.7173.1-81.7-64.9000112.3I562 C563 K564 Y570 S641 W645 I648 L770I562-F566 HydrophobicContact CG2-CD2 3.93Å; I562-F566 HydrophobicContact CG2-CE2 3.56Å; I562-F566 VanDerWaalsContact O-CD2 3.31Å; I562-F566 WeakPolarHBondContact O-CD2 3.46Å; I562-F566 PolarHBondContact O-N 2.87Å; C563-F566 PolarHBondContact O-N 3.39Å; K564-F566 VanDerWaalsContact C-N 3.35Å; K564-F566 PolarHBondContact O-N 3.42Å; F566-Y570 WeakPolarHBondContact O-CB 3.47Å; F566-Y570 PolarHBondContact O-N 2.87Å; F566-S641 VanDerWaalsContact CZ-O 3.28Å; F566-S641 WeakPolarHBondContact CZ-O 3.43Å; F566-W645 HydrophobicContact CD1-CD2 4.13Å; F566-W645 HydrophobicContact CD1-CE3 4.14Å; F566-W645 AromaticContact CD1-CH2 3.97Å; F566-W645 HydrophobicContact CD1-CH2 3.97Å; F566-W645 AromaticContact CD1-CZ2 3.98Å; F566-W645 HydrophobicContact CD1-CZ2 3.98Å; F566-W645 HydrophobicContact CD1-CZ3 4.04Å; F566-W645 AromaticContact CE1-CD1 3.88Å; F566-W645 AromaticContact CE1-CD2 3.4Å; F566-W645 HydrophobicContact CE1-CD2 3.4Å; F566-W645 VanDerWaalsContact CE1-CD2 3.4Å; F566-W645 AromaticContact CE1-CE2 3.31Å; F566-W645 AromaticContact CE1-CE3 3.85Å; F566-W645 HydrophobicContact CE1-CE3 3.85Å; F566-W645 AromaticContact CE1-CG 3.78Å; F566-W645 HydrophobicContact CE1-CG 3.78Å; F566-W645 HydrophobicContact CE1-CH2 4.1Å; F566-W645 AromaticContact CE1-CZ2 3.7Å; F566-W645 HydrophobicContact CE1-CZ2 3.7Å; F566-W645 HydrophobicContact CE1-CZ3 4.16Å; F566-W645 AromaticContact CE1-NE1 3.61Å; F566-W645 AromaticContact CZ-CD1 3.86Å; F566-W645 HydrophobicContact CZ-CD2 4.07Å; F566-W645 AromaticContact CZ-CE2 3.58Å; F566-W645 HydrophobicContact CZ-CG 4.23Å; F566-W645 AromaticContact CZ-CZ2 4Å; F566-W645 HydrophobicContact CZ-CZ2 4Å; F566-W645 AromaticContact CZ-NE1 3.45Å; F566-I648 HydrophobicContact CD1-CD1 3.86Å; F566-I648 HydrophobicContact CE1-CD1 4.46Å; F566-L770 HydrophobicContact CD2-CD1 4.42Å; F566-L770 HydrophobicContact CE2-CD1 4.44Å
567L57.7Low53.3Low74 Ų7458.7 Ų58.739%0.38730%0.298SS..Hα-helixtrans-61.5-49.7179.3-68.9172.3000111.8C563 K564 V569 Y570 D571 L767C563-L567 PolarHBondContact O-N 3.01Å; K564-L567 PolarHBondContact O-N 3.23Å; L567-V569 VanDerWaalsContact C-N 3.35Å; L567-V569 PolarHBondContact O-N 3.07Å; L567-Y570 WeakPolarHBondContact O-CB 3.42Å; L567-Y570 PolarHBondContact O-N 3.08Å; L567-Y570 VanDerWaalsContact O-N 3.13Å; L567-D571 PolarHBondContact O-N 3.08Å; L567-L767 HydrophobicContact CD1-CD1 4.2Å; L567-L767 HydrophobicContact CD1-CD2 4.1Å; L567-L767 HydrophobicContact CD2-CD1 4.27Å; L567-L767 HydrophobicContact CD2-CD2 4.22Å; L567-L767 HydrophobicContact CG-CD1 4.04Å; L567-L767 HydrophobicContact CG-CD2 4.46Å
568M54.7Low52.8Low86 Ų8661.2 Ų61.242%0.42431%0.308SS..Hα-helixtrans-61.4-40.5-177.6-68.1-173.779.800112.9K564 E572 P1075K564-M568 VanDerWaalsContact O-CG 3.3Å; K564-M568 WeakPolarHBondContact O-CG 3.33Å; K564-M568 PolarHBondContact O-N 3.19Å; M568-E572 WeakPolarHBondContact O-CB 3.31Å; M568-E572 WeakPolarHBondContact O-CG 3.24Å; M568-E572 PolarHBondContact O-N 2.89Å; M568-P1075 HydrophobicContact CE-CB 3.93Å; M568-P1075 HydrophobicContact CE-CG 3.36Å; M568-P1075 HydrophobicContact SD-CB 4.03Å; M568-P1075 HydrophobicContact SD-CG 3.92Å
569V53.8Low52.2Low17 Ų1762.7 Ų62.710%0.10332%0.319CS..Hα-helixtrans-70.6-36.4176.7174.70000111.3L565 L567 L573 W645L565-V569 WeakPolarHBondContact O-CG2 3.47Å; L565-V569 PolarHBondContact O-N 2.86Å; L567-V569 VanDerWaalsContact C-N 3.35Å; L567-V569 PolarHBondContact O-N 3.07Å; V569-L573 HydrophobicContact CG1-CD1 3.79Å; V569-L573 HydrophobicContact CG1-CG 4.46Å; V569-L573 WeakPolarHBondContact O-CB 3.48Å; V569-L573 VanDerWaalsContact O-CD1 3.31Å; V569-L573 WeakPolarHBondContact O-CD1 3.4Å; V569-L573 WeakPolarHBondContact O-CG 3.47Å; V569-L573 PolarHBondContact O-N 3.19Å; V569-L573 VanDerWaalsContact O-N 3.09Å; V569-W645 HydrophobicContact CB-CH2 4.33Å; V569-W645 HydrophobicContact CB-CZ3 3.97Å; V569-W645 HydrophobicContact CG1-CZ3 3.91Å; V569-W645 HydrophobicContact CG2-CH2 4.12Å; V569-W645 HydrophobicContact CG2-CZ3 4.15Å
570Y56Low51.3Low97 Ų9766.7 Ų66.738%0.3834%0.339SS..Hα-helixtrans-63.4-43.8174.2-179.9-93.9000112F566 L567 L573 S574 M763F566-Y570 WeakPolarHBondContact O-CB 3.47Å; F566-Y570 PolarHBondContact O-N 2.87Å; L567-Y570 WeakPolarHBondContact O-CB 3.42Å; L567-Y570 PolarHBondContact O-N 3.08Å; L567-Y570 VanDerWaalsContact O-N 3.13Å; Y570-L573 PolarHBondContact O-N 3.45Å; Y570-S574 VanDerWaalsContact O-CB 3.27Å; Y570-S574 WeakPolarHBondContact O-CB 3.48Å; Y570-S574 PolarHBondContact O-N 3.26Å; Y570-M763 HydrophobicContact CD2-CG 4.19Å; Y570-M763 HydrophobicContact CE2-CG 3.93Å
571D53.8Low50.5Low95 Ų9570.6 Ų70.651%0.50835%0.351SS..Hα-helixtrans-68.2-42.4179.2-68.9-25.8000112.2L567 L573 S574 S575L567-D571 PolarHBondContact O-N 3.08Å; D571-L573 VanDerWaalsContact C-N 3.34Å; D571-L573 PolarHBondContact O-N 2.97Å; D571-S574 PolarHBondContact O-N 3Å; D571-S575 WeakPolarHBondContact O-CB 3.21Å; D571-S575 PolarHBondContact O-N 3.02Å
572E52Low49.8Very low105 Ų10572.4 Ų72.449%0.49137%0.365SS..Hα-helixtrans-56.4-47.7172.4-78.7-179.4171.300111M568 S575 Y576M568-E572 WeakPolarHBondContact O-CB 3.31Å; M568-E572 WeakPolarHBondContact O-CG 3.24Å; M568-E572 PolarHBondContact O-N 2.89Å; E572-S575 PolarHBondContact O-N 3.15Å; E572-S575 PolarHBondContact O-OG 2.99Å; E572-Y576 PolarHBondContact O-N 3.29Å
573L50.3Low48.8Very low45 Ų4577.3 Ų77.324%0.23639%0.391CS..Hα-helixtrans-67.1-40.7178.5-71.3165.5000112.9V569 Y570 D571 S575 Y576 C577 I648 I652V569-L573 HydrophobicContact CG1-CD1 3.79Å; V569-L573 HydrophobicContact CG1-CG 4.46Å; V569-L573 WeakPolarHBondContact O-CB 3.48Å; V569-L573 VanDerWaalsContact O-CD1 3.31Å; V569-L573 WeakPolarHBondContact O-CD1 3.4Å; V569-L573 WeakPolarHBondContact O-CG 3.47Å; V569-L573 PolarHBondContact O-N 3.19Å; V569-L573 VanDerWaalsContact O-N 3.09Å; Y570-L573 PolarHBondContact O-N 3.45Å; D571-L573 VanDerWaalsContact C-N 3.34Å; D571-L573 PolarHBondContact O-N 2.97Å; L573-S575 VanDerWaalsContact C-N 3.34Å; L573-S575 PolarHBondContact O-N 2.89Å; L573-Y576 WeakPolarHBondContact O-CB 3.48Å; L573-Y576 PolarHBondContact O-N 3.32Å; L573-C577 PolarHBondContact O-N 2.81Å; L573-I648 HydrophobicContact CD1-CG2 3.44Å; L573-I648 VanDerWaalsContact CD1-CG2 3.44Å; L573-I652 HydrophobicContact CD1-CD1 4.05Å; L573-I652 HydrophobicContact CD2-CD1 3.93Å
574S49.7Very low47.6Very low48 Ų4885 Ų8534%0.33643%0.426SS..Hα-helixtrans-61.2-42.7176.5-173.10000111.3Y570 D571 Y576 C577 L578Y570-S574 VanDerWaalsContact O-CB 3.27Å; Y570-S574 WeakPolarHBondContact O-CB 3.48Å; Y570-S574 PolarHBondContact O-N 3.26Å; D571-S574 PolarHBondContact O-N 3Å; S574-Y576 VanDerWaalsContact C-N 3.3Å; S574-Y576 PolarHBondContact O-N 3.45Å; S574-C577 PolarHBondContact O-N 3.26Å; S574-L578 PolarHBondContact O-N 2.87Å
575S48.1Very low46.4Very low72 Ų7282.9 Ų82.950%0.50343%0.43SS..Hα-helixtrans-62.1-36.1175.880.50000112.9D571 E572 L573 L578 S579D571-S575 WeakPolarHBondContact O-CB 3.21Å; D571-S575 PolarHBondContact O-N 3.02Å; E572-S575 PolarHBondContact O-N 3.15Å; E572-S575 PolarHBondContact O-OG 2.99Å; L573-S575 VanDerWaalsContact C-N 3.34Å; L573-S575 PolarHBondContact O-N 2.89Å; S575-L578 PolarHBondContact O-N 3.31Å; S575-S579 PolarHBondContact O-N 3.49Å
576Y45.4Very low45.2Very low114 Ų11490.3 Ų90.345%0.44746%0.463SS..Hα-helixtrans-70.6-38.2177.1-169-91000112.5E572 L573 S574 L578 S579 L580E572-Y576 PolarHBondContact O-N 3.29Å; L573-Y576 WeakPolarHBondContact O-CB 3.48Å; L573-Y576 PolarHBondContact O-N 3.32Å; S574-Y576 VanDerWaalsContact C-N 3.3Å; S574-Y576 PolarHBondContact O-N 3.45Å; Y576-L578 VanDerWaalsContact C-N 3.28Å; Y576-L578 PolarHBondContact O-N 3.22Å; Y576-S579 PolarHBondContact O-OG 2.81Å; Y576-S579 VanDerWaalsContact O-OG 3.09Å; Y576-L580 HydrophobicContact CD1-CD1 4.07Å; Y576-L580 HydrophobicContact CE1-CD1 3.87Å; Y576-L580 PolarHBondContact O-N 3.25Å
577C42.8Very low43.9Very low44 Ų4499.3 Ų99.330%0.29751%0.506SS..Hα-helixtrans-70.7-22.9172.9-68.90000113.1L573 S574L573-C577 PolarHBondContact O-N 2.81Å; S574-C577 PolarHBondContact O-N 3.26Å
578L40.9Very low42.6Very low101 Ų101106 Ų10653%0.52953%0.532SS..Hα-helixtrans-80.4-40.4174.8-82.1162.8000113.1S574 S575 Y576 L580 K581S574-L578 PolarHBondContact O-N 2.87Å; S575-L578 PolarHBondContact O-N 3.31Å; Y576-L578 VanDerWaalsContact C-N 3.28Å; Y576-L578 PolarHBondContact O-N 3.22Å; L578-L580 VanDerWaalsContact C-N 3.29Å; L578-L580 PolarHBondContact O-N 3.3Å; L578-K581 WeakPolarHBondContact O-CB 3.44Å; L578-K581 PolarHBondContact O-N 3.47Å
579S42.4Very low41.4Very low51 Ų51107 Ų10736%0.35755%0.545SS..Hα-helixtrans-62.7-37.6176.459.90000112.2S575 Y576 K581 Q582 D583S575-S579 PolarHBondContact O-N 3.49Å; Y576-S579 PolarHBondContact O-OG 2.81Å; Y576-S579 VanDerWaalsContact O-OG 3.09Å; S579-K581 PolarHBondContact O-N 2.95Å; S579-Q582 PolarHBondContact O-N 3.49Å; S579-D583 PolarHBondContact O-N 2.66Å
580L40.5Very low40.1Very low84 Ų84114 Ų11444%0.4458%0.582SS.*THydrogen-bonded Turntrans-59.2-15.9172.8-83.3165.1000114.7Y576 L578Y576-L580 HydrophobicContact CD1-CD1 4.07Å; Y576-L580 HydrophobicContact CE1-CD1 3.87Å; Y576-L580 PolarHBondContact O-N 3.25Å; L578-L580 VanDerWaalsContact C-N 3.29Å; L578-L580 PolarHBondContact O-N 3.3Å
581K39.5Very low39Very low127 Ų127114.5 Ų114.555%0.55259%0.592SS**THydrogen-bonded Turntrans-91.7-11.4173.8-72.2-177173.4-178.70114.2L578 S579L578-K581 WeakPolarHBondContact O-CB 3.44Å; L578-K581 PolarHBondContact O-N 3.47Å; S579-K581 PolarHBondContact O-N 2.95Å
582Q37.3Very low37.9Very low156 Ų156117.1 Ų117.173%0.72961%0.605SS**THydrogen-bonded Turntrans-102.5-26.5-176-66.6-172.1-59.900113.2S579 H584S579-Q582 PolarHBondContact O-N 3.49Å; Q582-H584 PolarHBondContact O-N 3.15Å
583D34.4Very low37Very low117 Ų117120.6 Ų120.663%0.62662%0.621SS**  trans-76.945177.3-65.7-16.5000112.8S579S579-D583 PolarHBondContact O-N 2.66Å
584H34.1Very low36.3Very low165 Ų165125.5 Ų125.576%0.76464%0.636SS**  trans-118.526.4178.2-91-12.1000114Q582Q582-H584 PolarHBondContact O-N 3.15Å
585S28.7Very low35.9Very low99 Ų99132 Ų13269%0.69265%0.653SS**SBendtrans-122.1108.5161.257.50000109.9
586E29.9Very low35.3Very low192 Ų192131.5 Ų131.590%0.89764%0.644SS**SBendtrans5285.4160-57-171.5139.300118.5
587E30.3Very low35Very low197 Ų197130 Ų13092%0.92165%0.649SS**  -160.7141.1120.1-115.6177.4-172.900112.3C589E587-C589 PolarHBondContact O-N 3.46Å
588K29.6Very low35Very low215 Ų215132.5 Ų132.594%0.93567%0.665SS**  trans-88.5103.6177-74.6-179.7179175.20110.1
589C29.6Very low35.2Very low105 Ų105129.5 Ų129.571%0.70965%0.647SS**  trans-138117.7168.4-154.20000112.4E587 N591E587-C589 PolarHBondContact O-N 3.46Å; C589-N591 PolarHBondContact O-N 2.95Å; C589-N591 VanDerWaalsContact O-N 3.11Å
590N27.9Very low35.1Very low164 Ų164132.1 Ų132.188%0.87765%0.652SS**  trans-7399.1-174.5-68.9-24.7000111.5
591N31.4Very low35.2Very low108 Ų108134.1 Ų134.158%0.57866%0.655SS**  trans-15036.3179.6-106.4-58.3000114.7C589 H593C589-N591 PolarHBondContact O-N 2.95Å; C589-N591 VanDerWaalsContact O-N 3.11Å; N591-H593 VanDerWaalsContact C-N 3.3Å; N591-H593 PolarHBondContact O-N 3.45Å
592L30.2Very low35.6Very low150 Ų150130.8 Ų130.879%0.78564%0.641SS**THydrogen-bonded Turntrans-65.4-20.8-170.8-121.880.9000115.9
593H34.2Very low36.1Very low178 Ų178123.9 Ų123.982%0.82461%0.61SS**THydrogen-bonded Turntrans-92.8-9.2-167.8-91.5-61.1000117N591N591-H593 VanDerWaalsContact C-N 3.3Å; N591-H593 PolarHBondContact O-N 3.45Å
594R35.6Very low36.8Very low149 Ų149123.3 Ų123.356%0.56260%0.603SS**SBendtrans-97.14.5-168.5-81.6-169.4175.4-157.20.8117.7
595R41.6Very low37.5Very low185 Ų185117.7 Ų117.770%0.69858%0.575SS**SBendtrans-120.213.8-168.1-70-172.8176.3173.71.8117.9
596I35.5Very low38.5Very low60 Ų60113.3 Ų113.331%0.30855%0.545SS..SBendtrans-101.4-32.4-169.7-52173000116.2C598 Y599 Y656I596-C598 PolarHBondContact O-N 3.43Å; I596-Y599 HydrophobicContact CG2-CE1 4.17Å; I596-Y599 VanDerWaalsContact O-CD1 3.28Å; I596-Y599 WeakPolarHBondContact O-CD1 3.28Å; I596-Y599 WeakPolarHBondContact O-CE1 3.26Å; I596-Y656 HydrophobicContact CD1-CE1 4.18Å; I596-Y656 VanDerWaalsContact CD1-OH 3.27Å; I596-Y656 WeakPolarHBondContact CD1-OH 3.47Å
597P39.6Very low39.6Very low84 Ų84104.4 Ų104.455%0.54550%0.503SS..THydrogen-bonded Turntrans-64.4-29.8-170.4-26.735.5000116.8Y599 K600P597-Y599 PolarHBondContact O-N 3.15Å; P597-K600 PolarHBondContact O-N 2.99Å
598C42.6Very low40.4Very low95 Ų9597.9 Ų97.964%0.64247%0.474SS*.Hα-helixtrans-62.3-38.1-159.7-55.40000114.7I596 Q602I596-C598 PolarHBondContact O-N 3.43Å; C598-Q602 WeakPolarHBondContact O-CB 3.33Å; C598-Q602 PolarHBondContact O-N 3.18Å
599Y43.6Very low41.3Very low38 Ų3889.1 Ų89.115%0.14944%0.437CS..Hα-helixtrans-75.3-33.9-172.573.3-89000113.6I596 P597 Q602 S603 I652 I653I596-Y599 HydrophobicContact CG2-CE1 4.17Å; I596-Y599 VanDerWaalsContact O-CD1 3.28Å; I596-Y599 WeakPolarHBondContact O-CD1 3.28Å; I596-Y599 WeakPolarHBondContact O-CE1 3.26Å; P597-Y599 PolarHBondContact O-N 3.15Å; Y599-Q602 PolarHBondContact O-N 2.98Å; Y599-S603 WeakPolarHBondContact O-CB 3.24Å; Y599-S603 PolarHBondContact O-N 3.3Å; Y599-I652 HydrophobicContact CD1-CG2 4.07Å; Y599-I652 HydrophobicContact CD2-CB 4.06Å; Y599-I652 HydrophobicContact CD2-CD1 3.95Å; Y599-I652 HydrophobicContact CD2-CG2 3.75Å; Y599-I652 HydrophobicContact CE1-CG2 4.25Å; Y599-I652 HydrophobicContact CE2-CB 4.29Å; Y599-I652 HydrophobicContact CE2-CG2 3.96Å; Y599-I652 HydrophobicContact CG-CD1 4.13Å; Y599-I652 HydrophobicContact CG-CG2 3.82Å; Y599-I653 HydrophobicContact CE2-CD1 4.5Å; Y599-I653 HydrophobicContact CE2-CG1 3.83Å
600K42Very low42.3Very low106 Ų10684.6 Ų84.646%0.46141%0.407SS..Hα-helixtrans-66.2-44.1174.4-68.7-169.6177.7-1790110.4P597 H604P597-K600 PolarHBondContact O-N 2.99Å; K600-H604 WeakPolarHBondContact O-CB 3.36Å; K600-H604 PolarHBondContact O-N 3.44Å
601Y42.3Very low43.4Very low126 Ų12681 Ų8149%0.49439%0.385SS..Hα-helixtrans-59.3-48.2172.1-94.4-93.2000112.1S603 H604 R605 L838Y601-S603 PolarHBondContact O-N 3.32Å; Y601-H604 PolarHBondContact O-N 2.63Å; Y601-R605 VanDerWaalsContact O-CB 3.25Å; Y601-R605 WeakPolarHBondContact O-CB 3.48Å; Y601-R605 PolarHBondContact O-N 2.8Å; Y601-L838 HydrophobicContact CE1-CB 4.22Å; Y601-L838 HydrophobicContact CE1-CD1 4.11Å
602Q47.2Very low44.2Very low58 Ų5878.3 Ų78.327%0.27137%0.37SS..Hα-helixtrans-63.9-43-178.6-172.474.6-28.900112.8C598 Y599 R605 N606C598-Q602 WeakPolarHBondContact O-CB 3.33Å; C598-Q602 PolarHBondContact O-N 3.18Å; Y599-Q602 PolarHBondContact O-N 2.98Å; Q602-R605 PolarHBondContact O-N 3.33Å; Q602-N606 WeakPolarHBondContact O-CB 3.29Å; Q602-N606 PolarHBondContact O-N 3.05Å; Q602-N606 PolarHBondContact O-OD1 3.22Å
603S48.7Very low45.1Very low11 Ų1173.2 Ų73.28%0.07734%0.343CS..Hα-helixtrans-65.5-42.3176.8174.30000111.7Y599 Y601 N606 T607 W645 S649Y599-S603 WeakPolarHBondContact O-CB 3.24Å; Y599-S603 PolarHBondContact O-N 3.3Å; Y601-S603 PolarHBondContact O-N 3.32Å; S603-N606 PolarHBondContact O-N 3.11Å; S603-T607 WeakPolarHBondContact O-CB 3.27Å; S603-T607 PolarHBondContact O-N 3.19Å; S603-T607 PolarHBondContact O-OG1 3.08Å; S603-W645 PolarHBondContact OG-O 2.83Å; S603-S649 VanDerWaalsContact OG-CB 3.29Å; S603-S649 WeakPolarHBondContact OG-CB 3.41Å; S603-S649 PolarHBondContact OG-OG 2.86Å
604H49.4Very low46.1Very low104 Ų10464.8 Ų64.848%0.48130%0.304SS..Hα-helixtrans-64.4-45.4175.8-163.373000111.5K600 Y601 N606 T607 L608K600-H604 WeakPolarHBondContact O-CB 3.36Å; K600-H604 PolarHBondContact O-N 3.44Å; Y601-H604 PolarHBondContact O-N 2.63Å; H604-N606 PolarHBondContact O-N 3.36Å; H604-T607 PolarHBondContact O-N 2.67Å; H604-L608 WeakPolarHBondContact O-CB 3.47Å; H604-L608 PolarHBondContact O-N 3.1Å
605R47.5Very low46.9Very low47 Ų4760.4 Ų60.418%0.17729%0.292CS..Hα-helixtrans-55.8-49.6174.4-170.5177.678.3152.18.4111.6Y601 Q602 L608 L609 P1070 L1071Y601-R605 VanDerWaalsContact O-CB 3.25Å; Y601-R605 WeakPolarHBondContact O-CB 3.48Å; Y601-R605 PolarHBondContact O-N 2.8Å; Q602-R605 PolarHBondContact O-N 3.33Å; R605-L608 PolarHBondContact O-N 3.25Å; R605-L609 WeakPolarHBondContact O-CB 3.24Å; R605-L609 PolarHBondContact O-N 2.98Å; R605-P1070 PolarHBondContact NH1-O 3.37Å; R605-L1071 PolarHBondContact NH1-O 2.9Å
606N49.8Very low47.1Very low8 Ų855.1 Ų55.14%0.04328%0.277CS..Hα-helixtrans-69.8-34.2-178-68.26.3000112.7Q602 S603 H604 S610 W645Q602-N606 WeakPolarHBondContact O-CB 3.29Å; Q602-N606 PolarHBondContact O-N 3.05Å; Q602-N606 PolarHBondContact O-OD1 3.22Å; S603-N606 PolarHBondContact O-N 3.11Å; H604-N606 PolarHBondContact O-N 3.36Å; N606-S610 WeakPolarHBondContact O-CB 3.49Å; N606-S610 PolarHBondContact O-N 3Å; N606-S610 PolarHBondContact O-OG 2.97Å; N606-W645 HydrophobicContact CB-CD2 3.68Å; N606-W645 HydrophobicContact CB-CE3 3.75Å; N606-W645 HydrophobicContact CB-CG 4.3Å; N606-W645 HydrophobicContact CB-CH2 4.13Å; N606-W645 HydrophobicContact CB-CZ2 4.04Å; N606-W645 HydrophobicContact CB-CZ3 3.99Å; N606-W645 VanDerWaalsContact ND2-CZ3 3.31Å; N606-W645 WeakPolarHBondContact ND2-CZ3 3.34Å; N606-W645 PolarHBondContact O-NE1 3.37Å
607T52.1Low47.8Very low5 Ų552.7 Ų52.73%0.03127%0.265CS..Hα-helixtrans-63.3-48174-54.50000110.6S603 H604 S610 H611 T642 W645 Y646S603-T607 WeakPolarHBondContact O-CB 3.27Å; S603-T607 PolarHBondContact O-N 3.19Å; S603-T607 PolarHBondContact O-OG1 3.08Å; H604-T607 PolarHBondContact O-N 2.67Å; T607-S610 PolarHBondContact O-N 3.35Å; T607-H611 PolarHBondContact O-CD2 2.99Å; T607-H611 VanDerWaalsContact O-CD2 3.31Å; T607-H611 PolarHBondContact O-N 3.29Å; T607-T642 HydrophobicContact CG2-CG2 4.05Å; T607-W645 VanDerWaalsContact OG1-CB 3.23Å; T607-W645 WeakPolarHBondContact OG1-CB 3.31Å; T607-Y646 HydrophobicContact CG2-CE2 4.35Å
608L48.4Very low48.4Very low59 Ų5949.8 Ų49.831%0.30924%0.244SC..Hα-helixtrans-69.4-40.1-179.4-164.9151.2000111.7H604 R605 S610 H611 L612 V836H604-L608 WeakPolarHBondContact O-CB 3.47Å; H604-L608 PolarHBondContact O-N 3.1Å; R605-L608 PolarHBondContact O-N 3.25Å; L608-S610 VanDerWaalsContact C-N 3.3Å; L608-S610 PolarHBondContact O-N 3.47Å; L608-H611 WeakPolarHBondContact O-CB 3.38Å; L608-H611 PolarHBondContact O-N 3.44Å; L608-L612 HydrophobicContact CD2-CD1 3.59Å; L608-L612 HydrophobicContact CD2-CG 4.31Å; L608-L612 WeakPolarHBondContact O-CG 3.36Å; L608-L612 PolarHBondContact O-N 2.98Å; L608-V836 HydrophobicContact CD2-CG2 4.04Å
609L48Very low48.7Very low31 Ų3148.2 Ų48.216%0.16223%0.23CC..Hα-helixtrans-56.8-42.6171.4-172.576.1000111.8R605 L612 I613 Y834R605-L609 WeakPolarHBondContact O-CB 3.24Å; R605-L609 PolarHBondContact O-N 2.98Å; L609-L612 PolarHBondContact O-N 2.85Å; L609-I613 HydrophobicContact CG-CD1 4.05Å; L609-I613 WeakPolarHBondContact O-CG1 3.47Å; L609-I613 PolarHBondContact O-N 3.23Å; L609-I613 VanDerWaalsContact O-N 3.09Å; L609-Y834 HydrophobicContact CD1-CD2 3.87Å
610S50.7Low48.8Very low10 Ų1048.1 Ų48.17%0.0723%0.234CC..Hα-helixtrans-67.4-43178.2-57.50000111.9N606 T607 L608 L612 I613 F614 W645N606-S610 WeakPolarHBondContact O-CB 3.49Å; N606-S610 PolarHBondContact O-N 3Å; N606-S610 PolarHBondContact O-OG 2.97Å; T607-S610 PolarHBondContact O-N 3.35Å; L608-S610 VanDerWaalsContact C-N 3.3Å; L608-S610 PolarHBondContact O-N 3.47Å; S610-L612 VanDerWaalsContact C-N 3.32Å; S610-L612 PolarHBondContact O-N 3.25Å; S610-I613 PolarHBondContact O-N 3.25Å; S610-F614 WeakPolarHBondContact O-CD2 3.25Å; S610-F614 PolarHBondContact O-N 3.24Å; S610-W645 PolarHBondContact OG-NE1 3.42Å
611H51.3Low49.1Very low88 Ų8843.3 Ų43.341%0.40721%0.213SC..Hα-helixtrans-56.4-44.7174.3-86.6-69.9000112.3T607 L608 F614 N615 T642T607-H611 PolarHBondContact O-CD2 2.99Å; T607-H611 VanDerWaalsContact O-CD2 3.31Å; T607-H611 PolarHBondContact O-N 3.29Å; L608-H611 WeakPolarHBondContact O-CB 3.38Å; L608-H611 PolarHBondContact O-N 3.44Å; H611-F614 PolarHBondContact O-N 2.82Å; H611-N615 WeakPolarHBondContact O-CB 3.49Å; H611-N615 PolarHBondContact O-N 2.93Å; H611-T642 WeakPolarHBondContact NE2-CG2 3.41Å
612L47.4Very low49.5Very low52 Ų5242.4 Ų42.427%0.27221%0.212SC..Hα-helixtrans-67.4-48.9-179.2-68.4170.3000111.9L608 L609 S610 F614 N615 D616 Y834L608-L612 HydrophobicContact CD2-CD1 3.59Å; L608-L612 HydrophobicContact CD2-CG 4.31Å; L608-L612 WeakPolarHBondContact O-CG 3.36Å; L608-L612 PolarHBondContact O-N 2.98Å; L609-L612 PolarHBondContact O-N 2.85Å; S610-L612 VanDerWaalsContact C-N 3.32Å; S610-L612 PolarHBondContact O-N 3.25Å; L612-F614 VanDerWaalsContact C-N 3.25Å; L612-F614 PolarHBondContact O-N 3.25Å; L612-N615 PolarHBondContact O-N 3.41Å; L612-D616 PolarHBondContact O-N 3.48Å; L612-D616 VanDerWaalsContact O-N 3.08Å; L612-Y834 HydrophobicContact CB-CD1 4.42Å; L612-Y834 HydrophobicContact CB-CD2 3.95Å; L612-Y834 HydrophobicContact CB-CE1 4.25Å; L612-Y834 HydrophobicContact CB-CE2 3.77Å; L612-Y834 HydrophobicContact CB-CG 4.26Å; L612-Y834 HydrophobicContact CD1-CD1 3.53Å; L612-Y834 HydrophobicContact CD1-CD2 4Å; L612-Y834 HydrophobicContact CD1-CE1 4.08Å; L612-Y834 HydrophobicContact CD1-CE2 4.49Å; L612-Y834 HydrophobicContact CD1-CG 3.47Å; L612-Y834 VanDerWaalsContact CD1-CG 3.47Å; L612-Y834 HydrophobicContact CG-CD1 4.47Å; L612-Y834 HydrophobicContact CG-CG 4.48Å
613I50.7Low49.4Very low43 Ų4347.7 Ų47.722%0.22123%0.234CC..Hα-helixtrans-55.3-41.4176-69.6168.2000111.4L609 S610 L617 I831L609-I613 HydrophobicContact CG-CD1 4.05Å; L609-I613 WeakPolarHBondContact O-CG1 3.47Å; L609-I613 PolarHBondContact O-N 3.23Å; L609-I613 VanDerWaalsContact O-N 3.09Å; S610-I613 PolarHBondContact O-N 3.25Å; I613-L617 WeakPolarHBondContact O-CB 3.32Å; I613-L617 PolarHBondContact O-N 2.78Å; I613-L617 VanDerWaalsContact O-N 3.15Å; I613-I831 HydrophobicContact CD1-CG2 4.12Å; I613-I831 HydrophobicContact CG1-CG2 4.38Å
614F54.4Low49Very low2 Ų249 Ų491%0.00924%0.24CC..Hα-helixtrans-78.3-25.1177.6-75.7-58.5000114.5I562 S610 H611 L612 L617 M618 L634 L637 I638 S641I562-F614 HydrophobicContact CD1-CE1 3.84Å; I562-F614 HydrophobicContact CD1-CE2 3.79Å; I562-F614 HydrophobicContact CD1-CZ 3.28Å; S610-F614 WeakPolarHBondContact O-CD2 3.25Å; S610-F614 PolarHBondContact O-N 3.24Å; H611-F614 PolarHBondContact O-N 2.82Å; L612-F614 VanDerWaalsContact C-N 3.25Å; L612-F614 PolarHBondContact O-N 3.25Å; F614-L617 HydrophobicContact CD1-CD2 4.47Å; F614-M618 WeakPolarHBondContact O-CB 3.43Å; F614-M618 PolarHBondContact O-N 3.4Å; F614-L634 HydrophobicContact CD1-CD1 4.02Å; F614-L634 HydrophobicContact CE1-CD1 4.38Å; F614-L637 HydrophobicContact CE1-CD2 3.91Å; F614-L637 HydrophobicContact CZ-CD2 3.57Å; F614-I638 HydrophobicContact CB-CD1 3.91Å; F614-I638 HydrophobicContact CB-CG1 3.44Å; F614-I638 VanDerWaalsContact CB-CG1 3.44Å; F614-I638 HydrophobicContact CD1-CG1 4.45Å; F614-I638 HydrophobicContact CD2-CG1 4.01Å; F614-I638 HydrophobicContact CG-CG1 3.75Å; F614-S641 WeakPolarHBondContact CE2-OG 3.36Å
615N53.1Low48.9Very low56 Ų5645.3 Ų45.330%0.29922%0.224SC..Hα-helixtrans-71-41.1175.9-161.228.7000110.7H611 L612 M618 N619H611-N615 WeakPolarHBondContact O-CB 3.49Å; H611-N615 PolarHBondContact O-N 2.93Å; L612-N615 PolarHBondContact O-N 3.41Å; N615-M618 WeakPolarHBondContact O-CB 3.38Å; N615-M618 PolarHBondContact O-N 3.3Å; N615-N619 VanDerWaalsContact O-CG 3.26Å; N615-N619 PolarHBondContact O-N 3.32Å; N615-N619 PolarHBondContact O-ND2 2.93Å
616D45Very low48.8Very low74 Ų7450.9 Ų50.940%0.39625%0.252SS..Hα-helixtrans-64.4-44.4172.2-74.8-2.7000111L612 M618 N619 C620 Y834L612-D616 PolarHBondContact O-N 3.48Å; L612-D616 VanDerWaalsContact O-N 3.08Å; D616-M618 VanDerWaalsContact C-N 3.31Å; D616-M618 PolarHBondContact O-N 3.39Å; D616-N619 CarbonylContact O-C 3.53Å; D616-N619 PolarHBondContact O-N 2.86Å; D616-C620 PolarHBondContact O-N 2.78Å; D616-C620 PolarHBondContact O-SG 3.17Å; D616-C620 VanDerWaalsContact O-SG 3.4Å; D616-Y834 PolarHBondContact OD2-OH 3.45Å
617L50.4Low48.8Very low10 Ų1055.6 Ų55.65%0.05228%0.277CS..Hα-helixtrans-63-35.3175.4-163.7125.4000112.4F554 T558 I613 F614 I621 L634F554-L617 HydrophobicContact CD1-CD1 4.29Å; F554-L617 HydrophobicContact CE1-CD1 3.43Å; F554-L617 VanDerWaalsContact CE1-CD1 3.43Å; F554-L617 HydrophobicContact CE1-CG 4.04Å; F554-L617 HydrophobicContact CZ-CD1 3.83Å; T558-L617 HydrophobicContact CG2-CD1 3.79Å; I613-L617 WeakPolarHBondContact O-CB 3.32Å; I613-L617 PolarHBondContact O-N 2.78Å; I613-L617 VanDerWaalsContact O-N 3.15Å; F614-L617 HydrophobicContact CD1-CD2 4.47Å; L617-I621 HydrophobicContact CD2-CD1 3.51Å; L617-I621 HydrophobicContact CG-CD1 4.07Å; L617-I621 WeakPolarHBondContact O-CB 3.4Å; L617-I621 WeakPolarHBondContact O-CD1 3.3Å; L617-I621 VanDerWaalsContact O-CG1 3.3Å; L617-I621 WeakPolarHBondContact O-CG1 3.32Å; L617-I621 PolarHBondContact O-N 3.25Å; L617-L634 HydrophobicContact CD2-CD1 3.43Å; L617-L634 VanDerWaalsContact CD2-CD1 3.43Å; L617-L634 HydrophobicContact CD2-CD2 4.01Å; L617-L634 HydrophobicContact CD2-CG 4.39Å
618M51.2Low48.7Very low22 Ų2262.6 Ų62.611%0.10831%0.307CS..Hα-helixtrans-64.8-40.1171176.571.978.800111.2F614 N615 D616 I621 K622 L634 I638F614-M618 WeakPolarHBondContact O-CB 3.43Å; F614-M618 PolarHBondContact O-N 3.4Å; N615-M618 WeakPolarHBondContact O-CB 3.38Å; N615-M618 PolarHBondContact O-N 3.3Å; D616-M618 VanDerWaalsContact C-N 3.31Å; D616-M618 PolarHBondContact O-N 3.39Å; M618-I621 PolarHBondContact O-N 3.15Å; M618-K622 WeakPolarHBondContact O-CB 3.4Å; M618-K622 VanDerWaalsContact O-CG 3.28Å; M618-K622 WeakPolarHBondContact O-CG 3.41Å; M618-K622 PolarHBondContact O-N 2.93Å; M618-L634 VanDerWaalsContact CA-CD2 3.5Å; M618-L634 HydrophobicContact CB-CD2 3.7Å; M618-L634 HydrophobicContact CE-CB 4.24Å; M618-L634 HydrophobicContact CE-CD2 3.88Å; M618-L634 HydrophobicContact CE-CG 4.18Å; M618-L634 HydrophobicContact CG-CD2 4.37Å; M618-L634 HydrophobicContact SD-CD2 3.91Å; M618-I638 HydrophobicContact CE-CD1 4.43Å
619N50.2Low49Very low62 Ų6266.2 Ų66.233%0.33232%0.32SS..Hα-helixtrans-70.5-36.5177.5-69.4-27.5000112.6N615 D616 K622N615-N619 VanDerWaalsContact O-CG 3.26Å; N615-N619 PolarHBondContact O-N 3.32Å; N615-N619 PolarHBondContact O-ND2 2.93Å; D616-N619 CarbonylContact O-C 3.53Å; D616-N619 PolarHBondContact O-N 2.86Å; N619-K622 PolarHBondContact OD1-NZ 3.22Å
620C45.7Very low49.3Very low37 Ų3765.6 Ų65.625%0.2532%0.317CS..Hα-helixtrans-62.8-45.6168.8-66.30000111.8D616 K623D616-C620 PolarHBondContact O-N 2.78Å; D616-C620 PolarHBondContact O-SG 3.17Å; D616-C620 VanDerWaalsContact O-SG 3.4Å; C620-K623 PolarHBondContact O-N 3.31Å
621I48.6Very low49.5Very low4 Ų469.5 Ų69.52%0.02133%0.333CS..Hα-helixtrans-70.4-33.8-179-71.7161.9000112.1L551 I555 L617 M618 K623 L624 N625 L630 L634L551-I621 HydrophobicContact CD1-CG1 4.15Å; I555-I621 HydrophobicContact CD1-CD1 3.6Å; I555-I621 HydrophobicContact CD1-CG1 4.19Å; I555-I621 HydrophobicContact CG1-CD1 3.86Å; L617-I621 HydrophobicContact CD2-CD1 3.51Å; L617-I621 HydrophobicContact CG-CD1 4.07Å; L617-I621 WeakPolarHBondContact O-CB 3.4Å; L617-I621 WeakPolarHBondContact O-CD1 3.3Å; L617-I621 VanDerWaalsContact O-CG1 3.3Å; L617-I621 WeakPolarHBondContact O-CG1 3.32Å; L617-I621 PolarHBondContact O-N 3.25Å; M618-I621 PolarHBondContact O-N 3.15Å; I621-K623 PolarHBondContact O-N 3.04Å; I621-L624 CarbonylContact O-C 3.38Å; I621-L624 PolarHBondContact O-N 2.87Å; I621-N625 HydrophobicContact CG2-CB 3.87Å; I621-N625 WeakPolarHBondContact O-CB 3.49Å; I621-N625 PolarHBondContact O-N 2.84Å; I621-L630 HydrophobicContact CG2-CB 4.46Å; I621-L634 HydrophobicContact CD1-CD2 3.87Å
622K49.5Very low50Low108 Ų10868 Ų6847%0.4733%0.327SS..Hα-helixtrans-53.6-37.2171.6-80170.6-170.6162.30112M618 N619 L624M618-K622 WeakPolarHBondContact O-CB 3.4Å; M618-K622 VanDerWaalsContact O-CG 3.28Å; M618-K622 WeakPolarHBondContact O-CG 3.41Å; M618-K622 PolarHBondContact O-N 2.93Å; N619-K622 PolarHBondContact OD1-NZ 3.22Å; K622-L624 VanDerWaalsContact C-N 3.32Å; K622-L624 PolarHBondContact O-N 2.82Å
623K45Very low50.6Low168 Ų16866 Ų6673%0.7332%0.317SS*.THydrogen-bonded Turntrans-76.4-10.8177.7-66.2-171.9176.5-171.60114.6C620 I621C620-K623 PolarHBondContact O-N 3.31Å; I621-K623 PolarHBondContact O-N 3.04Å
624L40.5Very low51.1Low39 Ų3964.3 Ų64.320%0.20431%0.309CS..THydrogen-bonded Turntrans-127.73.9-171.6-65.5169.5000113.9L551 I621 K622 Y816 L819 L823L551-L624 HydrophobicContact CD1-CB 4.08Å; L551-L624 HydrophobicContact CD1-CD1 3.72Å; L551-L624 HydrophobicContact CD2-CB 4.37Å; I621-L624 CarbonylContact O-C 3.38Å; I621-L624 PolarHBondContact O-N 2.87Å; K622-L624 VanDerWaalsContact C-N 3.32Å; K622-L624 PolarHBondContact O-N 2.82Å; L624-Y816 HydrophobicContact CD2-CE1 4.25Å; L624-L819 HydrophobicContact CD2-CD2 4.3Å; L624-L823 HydrophobicContact CD1-CD1 3.92Å
625N47.2Very low51.4Low27 Ų2767.6 Ų67.614%0.14432%0.322CS..  trans-123.765.5-173.3175.534.6000111.8I621 N627 K628I621-N625 HydrophobicContact CG2-CB 3.87Å; I621-N625 WeakPolarHBondContact O-CB 3.49Å; I621-N625 PolarHBondContact O-N 2.84Å; N625-N627 PolarHBondContact O-N 3.43Å; N625-K628 PolarHBondContact ND2-O 2.8Å; N625-K628 PolarHBondContact O-N 3.35Å; N625-K628 VanDerWaalsContact O-N 3.14Å; N625-K628 PolarHBondContact OD1-N 2.72Å
626H45.9Very low52Low163 Ų16365 Ų6576%0.75531%0.307SS*.THydrogen-bonded Turntrans-50.5-31.7176.5-70.5-79.2000113.6K628H626-K628 VanDerWaalsContact C-N 3.34Å; H626-K628 PolarHBondContact O-N 3.16Å
627N48.9Very low52.9Low108 Ų10861.5 Ų61.558%0.57829%0.289SS*.THydrogen-bonded Turntrans-80.1-1.8-175.7-84.1-56.3000115.4N625 K629N625-N627 PolarHBondContact O-N 3.43Å; N627-K629 HydrophobicContact CB-CD 4.13Å; N627-K629 HydrophobicContact CB-CG 4.39Å; N627-K629 WeakPolarHBondContact O-CG 3.5Å; N627-K629 PolarHBondContact O-N 3.13Å
628K51.4Low53.5Low152 Ų15262 Ų6266%0.66129%0.291SS*.  trans58.2-22.6-172.7-65.1179178.4176.20116.3N625 H626 L630 K631N625-K628 PolarHBondContact ND2-O 2.8Å; N625-K628 PolarHBondContact O-N 3.35Å; N625-K628 VanDerWaalsContact O-N 3.14Å; N625-K628 PolarHBondContact OD1-N 2.72Å; H626-K628 VanDerWaalsContact C-N 3.34Å; H626-K628 PolarHBondContact O-N 3.16Å; K628-L630 VanDerWaalsContact C-N 3.32Å; K628-L630 PolarHBondContact O-N 2.73Å; K628-K631 WeakPolarHBondContact O-CB 3.29Å; K628-K631 PolarHBondContact O-N 3.31Å
629K52.9Low54.1Low135 Ų13561.3 Ų61.359%0.58729%0.288SS*.THydrogen-bonded Turntrans-47.4-37.1-171.3-73.4166.2-171.8169.80115.8N627 K631N627-K629 HydrophobicContact CB-CD 4.13Å; N627-K629 HydrophobicContact CB-CG 4.39Å; N627-K629 WeakPolarHBondContact O-CG 3.5Å; N627-K629 PolarHBondContact O-N 3.13Å; K629-K631 PolarHBondContact O-N 3.44Å
630L54.6Low54.8Low18 Ų1858.6 Ų58.69%0.09427%0.273CS..Hα-helixtrans-77.7-12.8-179.1-63.6170000115.3L551 Y552 I621 K628 N632 L633 L634L551-L630 HydrophobicContact CD2-CD1 4.16Å; Y552-L630 HydrophobicContact CE1-CD1 3.91Å; Y552-L630 HydrophobicContact CE1-CD2 4.19Å; I621-L630 HydrophobicContact CG2-CB 4.46Å; K628-L630 VanDerWaalsContact C-N 3.32Å; K628-L630 PolarHBondContact O-N 2.73Å; L630-N632 VanDerWaalsContact C-N 3.28Å; L630-N632 PolarHBondContact O-N 3.02Å; L630-L633 HydrophobicContact CD2-CD2 4.08Å; L630-L633 PolarHBondContact O-N 3.19Å; L630-L634 PolarHBondContact O-N 3.49Å; L630-L634 VanDerWaalsContact O-N 3.1Å
631K56.2Low55.7Low92 Ų9256.9 Ų56.940%0.426%0.262SS..Hα-helixtrans-55.5-42.5-176.3-174.3179.3177.6-177.50111.9K628 K629 Y635K628-K631 WeakPolarHBondContact O-CB 3.29Å; K628-K631 PolarHBondContact O-N 3.31Å; K629-K631 PolarHBondContact O-N 3.44Å; K631-Y635 WeakPolarHBondContact O-CB 3.18Å; K631-Y635 PolarHBondContact O-N 3.49Å; K631-Y635 VanDerWaalsContact O-N 3.07Å
632N60.6Low56.3Low55 Ų5556.8 Ų56.829%0.29426%0.262SS..Hα-helixtrans-74.2-38.4-177.7-64.4-5000112.5L630 L634 Y635 W636 L728L630-N632 VanDerWaalsContact C-N 3.28Å; L630-N632 PolarHBondContact O-N 3.02Å; N632-L634 PolarHBondContact O-N 3.39Å; N632-Y635 PolarHBondContact O-N 2.85Å; N632-W636 WeakPolarHBondContact O-CB 3.38Å; N632-W636 PolarHBondContact O-N 3.46Å; N632-L728 HydrophobicContact CB-CD1 4.42Å
633L61Low57Low11 Ų1151.7 Ų51.76%0.05824%0.239CC..Hα-helixtrans-61.8-43.5176.6-174.667.4000111.2L630 L637 I725 I773 L777L630-L633 HydrophobicContact CD2-CD2 4.08Å; L630-L633 PolarHBondContact O-N 3.19Å; L633-L637 PolarHBondContact O-N 2.98Å; L633-I725 HydrophobicContact CD1-CD1 4.03Å; L633-I725 HydrophobicContact CD1-CG2 4.15Å; L633-I773 HydrophobicContact CD1-CD1 3.59Å; L633-I773 HydrophobicContact CD1-CG1 4.12Å; L633-I773 HydrophobicContact CD1-CG2 4.46Å; L633-I773 HydrophobicContact CD2-CG2 4.47Å; L633-I773 HydrophobicContact CG-CD1 4.28Å; L633-L777 HydrophobicContact CD2-CD2 3.92Å
634L60Low57.9Low8 Ų843.7 Ų43.74%0.04221%0.205CC..Hα-helixtrans-71.9-39.2178.3-171.765.6000112.5F614 L617 M618 I621 L630 N632 W636 L637 I638F614-L634 HydrophobicContact CD1-CD1 4.02Å; F614-L634 HydrophobicContact CE1-CD1 4.38Å; L617-L634 HydrophobicContact CD2-CD1 3.43Å; L617-L634 VanDerWaalsContact CD2-CD1 3.43Å; L617-L634 HydrophobicContact CD2-CD2 4.01Å; L617-L634 HydrophobicContact CD2-CG 4.39Å; M618-L634 VanDerWaalsContact CA-CD2 3.5Å; M618-L634 HydrophobicContact CB-CD2 3.7Å; M618-L634 HydrophobicContact CE-CB 4.24Å; M618-L634 HydrophobicContact CE-CD2 3.88Å; M618-L634 HydrophobicContact CE-CG 4.18Å; M618-L634 HydrophobicContact CG-CD2 4.37Å; M618-L634 HydrophobicContact SD-CD2 3.91Å; I621-L634 HydrophobicContact CD1-CD2 3.87Å; L630-L634 PolarHBondContact O-N 3.49Å; L630-L634 VanDerWaalsContact O-N 3.1Å; N632-L634 PolarHBondContact O-N 3.39Å; L634-W636 VanDerWaalsContact C-N 3.29Å; L634-W636 PolarHBondContact O-N 3.09Å; L634-L637 WeakPolarHBondContact O-CB 3.21Å; L634-L637 PolarHBondContact O-N 3.41Å; L634-L637 VanDerWaalsContact O-N 3.09Å; L634-I638 PolarHBondContact O-N 3.2Å
635Y62.1Low58.9Low71 Ų7142.3 Ų42.328%0.27820%0.197SC..Hα-helixtrans-63.6-35.1176.3-175-123.4000112.6K631 N632 L639 K717 N721K631-Y635 WeakPolarHBondContact O-CB 3.18Å; K631-Y635 PolarHBondContact O-N 3.49Å; K631-Y635 VanDerWaalsContact O-N 3.07Å; N632-Y635 PolarHBondContact O-N 2.85Å; Y635-L639 HydrophobicContact CD1-CD1 4.18Å; Y635-L639 HydrophobicContact CE1-CD1 3.92Å; Y635-L639 WeakPolarHBondContact O-CG 3.26Å; Y635-L639 PolarHBondContact O-N 3.01Å; Y635-L639 VanDerWaalsContact O-N 3.16Å; Y635-K717 WeakPolarHBondContact OH-CE 3.37Å; Y635-K717 PolarHBondContact OH-NZ 3.12Å; Y635-K717 VanDerWaalsContact OH-NZ 3.17Å; Y635-N721 WeakPolarHBondContact CD1-ND2 3.43Å; Y635-N721 WeakPolarHBondContact CE1-ND2 3.2Å
636W65.9Low59.5Low0 Ų042.9 Ų42.90%020%0.197CC..Hα-helixtrans-63.4-40.3170.1-177.493.1000112.6N632 L634 L639 I640 A718 N721 I725 L743 T747 A769 I773N632-W636 WeakPolarHBondContact O-CB 3.38Å; N632-W636 PolarHBondContact O-N 3.46Å; L634-W636 VanDerWaalsContact C-N 3.29Å; L634-W636 PolarHBondContact O-N 3.09Å; W636-L639 WeakPolarHBondContact O-CB 3.36Å; W636-L639 PolarHBondContact O-N 3Å; W636-L639 VanDerWaalsContact O-N 3.16Å; W636-I640 HydrophobicContact CD2-CD1 3.99Å; W636-I640 HydrophobicContact CE3-CD1 4.19Å; W636-I640 HydrophobicContact CH2-CD1 3.43Å; W636-I640 VanDerWaalsContact CH2-CD1 3.43Å; W636-I640 HydrophobicContact CZ2-CD1 3.15Å; W636-I640 HydrophobicContact CZ3-CD1 3.91Å; W636-I640 PolarHBondContact O-N 3.42Å; W636-A718 PolarHBondContact NE1-O 3.19Å; W636-A718 VanDerWaalsContact NE1-O 3.16Å; W636-N721 HydrophobicContact CB-CB 4.23Å; W636-N721 HydrophobicContact CG-CB 4.42Å; W636-I725 HydrophobicContact CB-CD1 3.62Å; W636-I725 HydrophobicContact CD2-CD1 4.39Å; W636-I725 HydrophobicContact CG-CD1 3.75Å; W636-L743 HydrophobicContact CH2-CD1 3.76Å; W636-L743 HydrophobicContact CH2-CD2 3.95Å; W636-L743 HydrophobicContact CH2-CG 3.51Å; W636-L743 HydrophobicContact CZ2-CD1 3.96Å; W636-L743 HydrophobicContact CZ2-CD2 3.28Å; W636-L743 HydrophobicContact CZ2-CG 3.4Å; W636-L743 HydrophobicContact CZ3-CD1 4.2Å; W636-L743 HydrophobicContact CZ3-CG 4.42Å; W636-T747 WeakPolarHBondContact CZ2-OG1 3.24Å; W636-A769 HydrophobicContact CH2-CB 4.08Å; W636-I773 HydrophobicContact CE3-CD1 3.41Å; W636-I773 VanDerWaalsContact CE3-CD1 3.41Å; W636-I773 HydrophobicContact CH2-CD1 4.16Å; W636-I773 HydrophobicContact CZ3-CD1 3.23Å; W636-I773 HydrophobicContact CZ3-CG1 3.97Å
637L62.8Low60.2Low1 Ų135.1 Ų35.11%0.00516%0.161CC..Hα-helixtrans-65.8-38.6179.3-128.9153.7000112.2I559 F614 L633 L634 S641 L770 I773I559-L637 HydrophobicContact CD1-CD1 3.46Å; I559-L637 VanDerWaalsContact CD1-CD1 3.46Å; I559-L637 HydrophobicContact CG1-CD1 3.6Å; I559-L637 HydrophobicContact CG1-CD2 4.05Å; I559-L637 HydrophobicContact CG1-CG 4.49Å; I559-L637 HydrophobicContact CG2-CD2 4.39Å; F614-L637 HydrophobicContact CE1-CD2 3.91Å; F614-L637 HydrophobicContact CZ-CD2 3.57Å; L633-L637 PolarHBondContact O-N 2.98Å; L634-L637 WeakPolarHBondContact O-CB 3.21Å; L634-L637 PolarHBondContact O-N 3.41Å; L634-L637 VanDerWaalsContact O-N 3.09Å; L637-S641 WeakPolarHBondContact O-CB 3.43Å; L637-S641 PolarHBondContact O-N 3.35Å; L637-S641 PolarHBondContact O-OG 3.41Å; L637-L770 HydrophobicContact CD2-CD2 3.73Å; L637-L770 HydrophobicContact CG-CD2 4.23Å; L637-I773 HydrophobicContact CD1-CD1 3.7Å; L637-I773 HydrophobicContact CD1-CG2 4.12Å; L637-I773 HydrophobicContact CG-CD1 4.1Å
638I63.3Low60.8Low21 Ų2130.4 Ų30.411%0.10814%0.136CC..Hα-helixtrans-56-54.1168.1-68.1166.2000109.9F614 M618 L634 I640 S641 T642F614-I638 HydrophobicContact CB-CD1 3.91Å; F614-I638 HydrophobicContact CB-CG1 3.44Å; F614-I638 VanDerWaalsContact CB-CG1 3.44Å; F614-I638 HydrophobicContact CD1-CG1 4.45Å; F614-I638 HydrophobicContact CD2-CG1 4.01Å; F614-I638 HydrophobicContact CG-CG1 3.75Å; M618-I638 HydrophobicContact CE-CD1 4.43Å; L634-I638 PolarHBondContact O-N 3.2Å; I638-I640 PolarHBondContact O-N 3.04Å; I638-S641 PolarHBondContact O-N 2.97Å; I638-S641 PolarHBondContact O-OG 3.5Å; I638-T642 WeakPolarHBondContact O-CG2 3.28Å; I638-T642 PolarHBondContact O-N 3.07Å; I638-T642 VanDerWaalsContact O-N 3.07Å
639L63.6Low61Low7 Ų723.7 Ų23.74%0.03711%0.108CC..Hα-helixtrans-58.6-44.1-176.9-71.6164.4000112.9Y635 W636 T642 I643 L714 K717 A718 N721Y635-L639 HydrophobicContact CD1-CD1 4.18Å; Y635-L639 HydrophobicContact CE1-CD1 3.92Å; Y635-L639 WeakPolarHBondContact O-CG 3.26Å; Y635-L639 PolarHBondContact O-N 3.01Å; Y635-L639 VanDerWaalsContact O-N 3.16Å; W636-L639 WeakPolarHBondContact O-CB 3.36Å; W636-L639 PolarHBondContact O-N 3Å; W636-L639 VanDerWaalsContact O-N 3.16Å; L639-T642 PolarHBondContact O-N 3.36Å; L639-T642 PolarHBondContact O-OG1 3.1Å; L639-I643 VanDerWaalsContact O-CD1 3.31Å; L639-I643 WeakPolarHBondContact O-CD1 3.49Å; L639-I643 WeakPolarHBondContact O-CG1 3.48Å; L639-I643 PolarHBondContact O-N 3.03Å; L639-L714 HydrophobicContact CD2-CD2 4.03Å; L639-K717 HydrophobicContact CD1-CB 4.32Å; L639-K717 HydrophobicContact CD1-CG 4.12Å; L639-K717 HydrophobicContact CD2-CB 4.39Å; L639-K717 HydrophobicContact CD2-CD 4.28Å; L639-K717 HydrophobicContact CD2-CG 4.45Å; L639-A718 HydrophobicContact CB-CB 4.34Å; L639-N721 WeakPolarHBondContact CD1-ND2 3.45Å
640I66.2Low61.2Low5 Ų517.2 Ų17.23%0.0268%0.08CC..Hα-helixtrans-74.4-30.7180-84.4173.6000113.1W636 I638 I643 G644 A718 T747 L766 L770W636-I640 HydrophobicContact CD2-CD1 3.99Å; W636-I640 HydrophobicContact CE3-CD1 4.19Å; W636-I640 HydrophobicContact CH2-CD1 3.43Å; W636-I640 VanDerWaalsContact CH2-CD1 3.43Å; W636-I640 HydrophobicContact CZ2-CD1 3.15Å; W636-I640 HydrophobicContact CZ3-CD1 3.91Å; W636-I640 PolarHBondContact O-N 3.42Å; I638-I640 PolarHBondContact O-N 3.04Å; I640-I643 HydrophobicContact CG1-CD1 4.28Å; I640-G644 PolarHBondContact O-N 2.91Å; I640-A718 HydrophobicContact CD1-CB 4.4Å; I640-A718 HydrophobicContact CG1-CB 4.05Å; I640-T747 HydrophobicContact CD1-CG2 4.08Å; I640-L766 HydrophobicContact CG2-CD1 3.9Å; I640-L766 HydrophobicContact CG2-CG 4.19Å; I640-L770 HydrophobicContact CG2-CD1 4.49Å; I640-L770 HydrophobicContact CG2-CD2 3.99Å; I640-L770 HydrophobicContact CG2-CG 4.11Å
641S62.7Low61.2Low1 Ų118.3 Ų18.31%0.0079%0.086CC..Hα-helixtrans-62.9-42.1170.775.10000111.9F566 F614 L637 I638 G644 W645F566-S641 VanDerWaalsContact CZ-O 3.28Å; F566-S641 WeakPolarHBondContact CZ-O 3.43Å; F614-S641 WeakPolarHBondContact CE2-OG 3.36Å; L637-S641 WeakPolarHBondContact O-CB 3.43Å; L637-S641 PolarHBondContact O-N 3.35Å; L637-S641 PolarHBondContact O-OG 3.41Å; I638-S641 PolarHBondContact O-N 2.97Å; I638-S641 PolarHBondContact O-OG 3.5Å; S641-G644 PolarHBondContact O-N 3.05Å; S641-W645 PolarHBondContact O-N 3.25Å
642T61.5Low61Low3 Ų315.3 Ų15.32%0.0187%0.074CC..Hα-helixtrans-70.9-40.3-179.562.10000111.5T607 H611 I638 L639 G644 W645 Y646T607-T642 HydrophobicContact CG2-CG2 4.05Å; H611-T642 WeakPolarHBondContact NE2-CG2 3.41Å; I638-T642 WeakPolarHBondContact O-CG2 3.28Å; I638-T642 PolarHBondContact O-N 3.07Å; I638-T642 VanDerWaalsContact O-N 3.07Å; L639-T642 PolarHBondContact O-N 3.36Å; L639-T642 PolarHBondContact O-OG1 3.1Å; T642-G644 VanDerWaalsContact C-N 3.33Å; T642-G644 PolarHBondContact O-N 3.39Å; T642-W645 PolarHBondContact O-N 3.31Å; T642-Y646 WeakPolarHBondContact O-CD2 3.41Å; T642-Y646 PolarHBondContact O-N 2.96Å; T642-Y646 VanDerWaalsContact O-N 3.08Å
643I64.6Low60.4Low0 Ų013.5 Ų13.50%06%0.064CC..Hα-helixtrans-54.9-48.5170.4-69161.6000110.6L639 I640 W645 Y646 L647 L714 L715 A718 L750 L766L639-I643 VanDerWaalsContact O-CD1 3.31Å; L639-I643 WeakPolarHBondContact O-CD1 3.49Å; L639-I643 WeakPolarHBondContact O-CG1 3.48Å; L639-I643 PolarHBondContact O-N 3.03Å; I640-I643 HydrophobicContact CG1-CD1 4.28Å; I643-W645 VanDerWaalsContact C-N 3.33Å; I643-W645 PolarHBondContact O-N 3.46Å; I643-Y646 PolarHBondContact O-N 3.17Å; I643-Y646 VanDerWaalsContact O-N 3.13Å; I643-L647 HydrophobicContact CG2-CD1 3.7Å; I643-L647 HydrophobicContact CG2-CG 4.12Å; I643-L647 VanDerWaalsContact O-CG 3.29Å; I643-L647 WeakPolarHBondContact O-CG 3.47Å; I643-L647 PolarHBondContact O-N 2.73Å; I643-L714 HydrophobicContact CD1-CB 4Å; I643-L714 HydrophobicContact CG1-CB 3.64Å; I643-L714 HydrophobicContact CG1-CD1 4.45Å; I643-L715 HydrophobicContact CD1-CD2 3.94Å; I643-L715 HydrophobicContact CD1-CG 4.04Å; I643-L715 HydrophobicContact CG2-CD2 4.04Å; I643-L715 HydrophobicContact CG2-CG 4.16Å; I643-A718 HydrophobicContact CD1-CB 3.81Å; I643-L750 HydrophobicContact CG2-CD2 4.45Å; I643-L766 HydrophobicContact CG2-CD1 4.4Å
644G64.8Low59.8Low0 Ų017.4 Ų17.40%08%0.079CC..Hα-helixtrans-54-44.7177.700000113.5I640 S641 T642 L647 I648I640-G644 PolarHBondContact O-N 2.91Å; S641-G644 PolarHBondContact O-N 3.05Å; T642-G644 VanDerWaalsContact C-N 3.33Å; T642-G644 PolarHBondContact O-N 3.39Å; G644-L647 PolarHBondContact O-N 2.89Å; G644-I648 WeakPolarHBondContact O-CG1 3.25Å; G644-I648 PolarHBondContact O-N 3.49Å; G644-I648 VanDerWaalsContact O-N 3.14Å
645W60.9Low59.3Low10 Ų1021.3 Ų21.34%0.03810%0.096CC..Hα-helixtrans-70.3-32.3178.3-65.5120.5000113.9F566 V569 S603 N606 T607 S610 S641 T642 I643 I648 S649F566-W645 HydrophobicContact CD1-CD2 4.13Å; F566-W645 HydrophobicContact CD1-CE3 4.14Å; F566-W645 AromaticContact CD1-CH2 3.97Å; F566-W645 HydrophobicContact CD1-CH2 3.97Å; F566-W645 AromaticContact CD1-CZ2 3.98Å; F566-W645 HydrophobicContact CD1-CZ2 3.98Å; F566-W645 HydrophobicContact CD1-CZ3 4.04Å; F566-W645 AromaticContact CE1-CD1 3.88Å; F566-W645 AromaticContact CE1-CD2 3.4Å; F566-W645 HydrophobicContact CE1-CD2 3.4Å; F566-W645 VanDerWaalsContact CE1-CD2 3.4Å; F566-W645 AromaticContact CE1-CE2 3.31Å; F566-W645 AromaticContact CE1-CE3 3.85Å; F566-W645 HydrophobicContact CE1-CE3 3.85Å; F566-W645 AromaticContact CE1-CG 3.78Å; F566-W645 HydrophobicContact CE1-CG 3.78Å; F566-W645 HydrophobicContact CE1-CH2 4.1Å; F566-W645 AromaticContact CE1-CZ2 3.7Å; F566-W645 HydrophobicContact CE1-CZ2 3.7Å; F566-W645 HydrophobicContact CE1-CZ3 4.16Å; F566-W645 AromaticContact CE1-NE1 3.61Å; F566-W645 AromaticContact CZ-CD1 3.86Å; F566-W645 HydrophobicContact CZ-CD2 4.07Å; F566-W645 AromaticContact CZ-CE2 3.58Å; F566-W645 HydrophobicContact CZ-CG 4.23Å; F566-W645 AromaticContact CZ-CZ2 4Å; F566-W645 HydrophobicContact CZ-CZ2 4Å; F566-W645 AromaticContact CZ-NE1 3.45Å; V569-W645 HydrophobicContact CB-CH2 4.33Å; V569-W645 HydrophobicContact CB-CZ3 3.97Å; V569-W645 HydrophobicContact CG1-CZ3 3.91Å; V569-W645 HydrophobicContact CG2-CH2 4.12Å; V569-W645 HydrophobicContact CG2-CZ3 4.15Å; S603-W645 PolarHBondContact OG-O 2.83Å; N606-W645 HydrophobicContact CB-CD2 3.68Å; N606-W645 HydrophobicContact CB-CE3 3.75Å; N606-W645 HydrophobicContact CB-CG 4.3Å; N606-W645 HydrophobicContact CB-CH2 4.13Å; N606-W645 HydrophobicContact CB-CZ2 4.04Å; N606-W645 HydrophobicContact CB-CZ3 3.99Å; N606-W645 VanDerWaalsContact ND2-CZ3 3.31Å; N606-W645 WeakPolarHBondContact ND2-CZ3 3.34Å; N606-W645 PolarHBondContact O-NE1 3.37Å; T607-W645 VanDerWaalsContact OG1-CB 3.23Å; T607-W645 WeakPolarHBondContact OG1-CB 3.31Å; S610-W645 PolarHBondContact OG-NE1 3.42Å; S641-W645 PolarHBondContact O-N 3.25Å; T642-W645 PolarHBondContact O-N 3.31Å; I643-W645 VanDerWaalsContact C-N 3.33Å; I643-W645 PolarHBondContact O-N 3.46Å; W645-I648 HydrophobicContact CE3-CD1 4.01Å; W645-I648 HydrophobicContact CZ3-CD1 4.09Å; W645-S649 PolarHBondContact O-N 3.36Å; W645-S649 PolarHBondContact O-OG 2.81Å
646Y59Low58.3Low39 Ų3921.8 Ų21.815%0.15310%0.098CC..Hα-helixtrans-72.1-36.3173.2-74.6-60.7000112.7T607 T642 I643 S649 A650 R710 I711 L714T607-Y646 HydrophobicContact CG2-CE2 4.35Å; T642-Y646 WeakPolarHBondContact O-CD2 3.41Å; T642-Y646 PolarHBondContact O-N 2.96Å; T642-Y646 VanDerWaalsContact O-N 3.08Å; I643-Y646 PolarHBondContact O-N 3.17Å; I643-Y646 VanDerWaalsContact O-N 3.13Å; Y646-S649 PolarHBondContact O-N 2.8Å; Y646-S649 PolarHBondContact O-OG 3.4Å; Y646-S649 VanDerWaalsContact O-OG 3.13Å; Y646-A650 WeakPolarHBondContact O-CB 3.37Å; Y646-A650 PolarHBondContact O-N 2.86Å; Y646-R710 PolarHBondContact OH-NE 3.04Å; Y646-R710 PolarHBondContact OH-NH2 3.49Å; Y646-I711 HydrophobicContact CG-CG1 4.49Å; Y646-L714 HydrophobicContact CD2-CD1 3.67Å; Y646-L714 HydrophobicContact CE2-CD1 3.57Å
647L62.1Low57.2Low0 Ų026.6 Ų26.60%012%0.124CC..Hα-helixtrans-65.7-40.8175.4-65.6168.8000111.5I643 G644 S649 A650 N651 I711 L750 F754 I761 M763 L766I643-L647 HydrophobicContact CG2-CD1 3.7Å; I643-L647 HydrophobicContact CG2-CG 4.12Å; I643-L647 VanDerWaalsContact O-CG 3.29Å; I643-L647 WeakPolarHBondContact O-CG 3.47Å; I643-L647 PolarHBondContact O-N 2.73Å; G644-L647 PolarHBondContact O-N 2.89Å; L647-S649 VanDerWaalsContact C-N 3.34Å; L647-S649 PolarHBondContact O-N 3.49Å; L647-A650 PolarHBondContact O-N 3.1Å; L647-N651 PolarHBondContact O-N 2.8Å; L647-N651 VanDerWaalsContact O-N 3.11Å; L647-I711 HydrophobicContact CD2-CD1 4.28Å; L647-I711 HydrophobicContact CD2-CG2 3.88Å; L647-L750 HydrophobicContact CD1-CD1 4.29Å; L647-L750 HydrophobicContact CD1-CD2 4.11Å; L647-F754 HydrophobicContact CD2-CD2 3.64Å; L647-F754 HydrophobicContact CD2-CE2 3.48Å; L647-F754 VanDerWaalsContact CD2-CE2 3.48Å; L647-I761 HydrophobicContact CB-CG2 4.44Å; L647-I761 HydrophobicContact CD1-CG2 4.22Å; L647-I761 HydrophobicContact CD2-CD1 3.82Å; L647-I761 HydrophobicContact CD2-CG1 4.41Å; L647-I761 HydrophobicContact CD2-CG2 4.07Å; L647-I761 HydrophobicContact CG-CG2 4.47Å; L647-M763 HydrophobicContact CB-SD 4.15Å; L647-L766 HydrophobicContact CD1-CD1 4.35Å
648I60.8Low56.2Low9 Ų928.8 Ų28.85%0.04614%0.139CC..Hα-helixtrans-60-41.7175.5-71.6169.6000111.3F566 L573 G644 W645 I652 M763F566-I648 HydrophobicContact CD1-CD1 3.86Å; F566-I648 HydrophobicContact CE1-CD1 4.46Å; L573-I648 HydrophobicContact CD1-CG2 3.44Å; L573-I648 VanDerWaalsContact CD1-CG2 3.44Å; G644-I648 WeakPolarHBondContact O-CG1 3.25Å; G644-I648 PolarHBondContact O-N 3.49Å; G644-I648 VanDerWaalsContact O-N 3.14Å; W645-I648 HydrophobicContact CE3-CD1 4.01Å; W645-I648 HydrophobicContact CZ3-CD1 4.09Å; I648-I652 WeakPolarHBondContact O-CD1 3.39Å; I648-I652 WeakPolarHBondContact O-CG1 3.2Å; I648-M763 HydrophobicContact CD1-CE 3.96Å; I648-M763 HydrophobicContact CG1-CE 3.69Å; I648-M763 HydrophobicContact CG1-SD 4.43Å
649S55.8Low55.2Low11 Ų1131.7 Ų31.78%0.07715%0.154CC..Hα-helixtrans-74.6-30.4175.744.50000114.2S603 W645 Y646 L647 I653S603-S649 VanDerWaalsContact OG-CB 3.29Å; S603-S649 WeakPolarHBondContact OG-CB 3.41Å; S603-S649 PolarHBondContact OG-OG 2.86Å; W645-S649 PolarHBondContact O-N 3.36Å; W645-S649 PolarHBondContact O-OG 2.81Å; Y646-S649 PolarHBondContact O-N 2.8Å; Y646-S649 PolarHBondContact O-OG 3.4Å; Y646-S649 VanDerWaalsContact O-OG 3.13Å; L647-S649 VanDerWaalsContact C-N 3.34Å; L647-S649 PolarHBondContact O-N 3.49Å; S649-I653 PolarHBondContact O-N 3.47Å
650A56.5Low54Low0 Ų035.1 Ų35.10%017%0.172CC..Hα-helixtrans-65.7-44.5176.900000112.7Y646 L647 I652 I653 Y654 I711Y646-A650 WeakPolarHBondContact O-CB 3.37Å; Y646-A650 PolarHBondContact O-N 2.86Å; L647-A650 PolarHBondContact O-N 3.1Å; A650-I652 VanDerWaalsContact C-N 3.28Å; A650-I652 PolarHBondContact O-N 3.41Å; A650-I653 PolarHBondContact O-N 3.41Å; A650-Y654 PolarHBondContact O-N 3.14Å; A650-I711 HydrophobicContact CB-CD1 4.17Å
651N55.6Low52.7Low41 Ų4138.3 Ų38.322%0.21920%0.195CC..Hα-helixtrans-58.8-36.1178.1-87.9-30.6000112.8L647 Y654 H655L647-N651 PolarHBondContact O-N 2.8Å; L647-N651 VanDerWaalsContact O-N 3.11Å; N651-Y654 PolarHBondContact O-N 3.14Å; N651-H655 PolarHBondContact O-N 3.24Å; N651-H655 VanDerWaalsContact O-N 3.12Å
652I50.8Low51.6Low28 Ų2844 Ų4414%0.14423%0.225CC..Hα-helixtrans-66.6-43.4178.7-60.1166.1000111.3L573 Y599 I648 A650 Y654 H655 Y656L573-I652 HydrophobicContact CD1-CD1 4.05Å; L573-I652 HydrophobicContact CD2-CD1 3.93Å; Y599-I652 HydrophobicContact CD1-CG2 4.07Å; Y599-I652 HydrophobicContact CD2-CB 4.06Å; Y599-I652 HydrophobicContact CD2-CD1 3.95Å; Y599-I652 HydrophobicContact CD2-CG2 3.75Å; Y599-I652 HydrophobicContact CE1-CG2 4.25Å; Y599-I652 HydrophobicContact CE2-CB 4.29Å; Y599-I652 HydrophobicContact CE2-CG2 3.96Å; Y599-I652 HydrophobicContact CG-CD1 4.13Å; Y599-I652 HydrophobicContact CG-CG2 3.82Å; I648-I652 WeakPolarHBondContact O-CD1 3.39Å; I648-I652 WeakPolarHBondContact O-CG1 3.2Å; A650-I652 VanDerWaalsContact C-N 3.28Å; A650-I652 PolarHBondContact O-N 3.41Å; I652-Y654 VanDerWaalsContact C-N 3.28Å; I652-Y654 PolarHBondContact O-N 2.9Å; I652-H655 PolarHBondContact O-N 2.97Å; I652-Y656 WeakPolarHBondContact O-CB 3.38Å; I652-Y656 PolarHBondContact O-N 3.37Å
653I49.6Very low50.5Low17 Ų1748.5 Ų48.59%0.08726%0.256CS..Hα-helixtrans-61.4-40.5179.1-63.7168.4000110.3Y599 S649 A650 Y656 N657 I707Y599-I653 HydrophobicContact CE2-CD1 4.5Å; Y599-I653 HydrophobicContact CE2-CG1 3.83Å; S649-I653 PolarHBondContact O-N 3.47Å; A650-I653 PolarHBondContact O-N 3.41Å; I653-Y656 PolarHBondContact O-N 3.3Å; I653-N657 PolarHBondContact O-N 3.02Å; I653-N657 VanDerWaalsContact O-N 3.08Å; I653-I707 HydrophobicContact CD1-CD1 3.74Å
654Y47.8Very low49Very low93 Ų9353.3 Ų53.337%0.36529%0.29SS..Hα-helixtrans-62.7-48.5177-162.5-82.9000111.7A650 N651 I652 Y656 N657 S658 H759A650-Y654 PolarHBondContact O-N 3.14Å; N651-Y654 PolarHBondContact O-N 3.14Å; I652-Y654 VanDerWaalsContact C-N 3.28Å; I652-Y654 PolarHBondContact O-N 2.9Å; Y654-Y656 VanDerWaalsContact C-N 3.32Å; Y654-Y656 PolarHBondContact O-N 3.45Å; Y654-N657 PolarHBondContact O-N 3.08Å; Y654-S658 PolarHBondContact O-N 3.22Å; Y654-H759 AromaticContact CZ-ND1 3.86Å; Y654-H759 PolarHBondContact OH-CE1 2.68Å; Y654-H759 PolarHBondContact OH-ND1 3.26Å
655H48.2Very low47.3Very low90 Ų9057.8 Ų57.842%0.41732%0.321SS..Hα-helixtrans-63.4-36179-115.5-51.6000113N651 I652 M659N651-H655 PolarHBondContact O-N 3.24Å; N651-H655 VanDerWaalsContact O-N 3.12Å; I652-H655 PolarHBondContact O-N 2.97Å; H655-M659 WeakPolarHBondContact O-CG 3.44Å; H655-M659 PolarHBondContact O-N 3.16Å
656Y42.3Very low45.8Very low81 Ų8163 Ų6332%0.31836%0.358SS..Hα-helixtrans-70.6-43.8179.2-163.6-99.3000112.6I596 I652 I653 Y654 S658 M659 N660I596-Y656 HydrophobicContact CD1-CE1 4.18Å; I596-Y656 VanDerWaalsContact CD1-OH 3.27Å; I596-Y656 WeakPolarHBondContact CD1-OH 3.47Å; I652-Y656 WeakPolarHBondContact O-CB 3.38Å; I652-Y656 PolarHBondContact O-N 3.37Å; I653-Y656 PolarHBondContact O-N 3.3Å; Y654-Y656 VanDerWaalsContact C-N 3.32Å; Y654-Y656 PolarHBondContact O-N 3.45Å; Y656-S658 VanDerWaalsContact C-N 3.25Å; Y656-S658 PolarHBondContact O-N 3.13Å; Y656-M659 PolarHBondContact O-N 2.87Å; Y656-N660 PolarHBondContact O-N 2.86Å
657N42.2Very low44.3Very low101 Ų10166.5 Ų66.554%0.5439%0.389SS..Hα-helixtrans-63.8-31.3176.8-74.4-9.5000112.5I653 Y654 M659 S661I653-N657 PolarHBondContact O-N 3.02Å; I653-N657 VanDerWaalsContact O-N 3.08Å; Y654-N657 PolarHBondContact O-N 3.08Å; N657-M659 VanDerWaalsContact C-N 3.27Å; N657-M659 PolarHBondContact O-N 2.96Å; N657-S661 PolarHBondContact O-N 3.18Å; N657-S661 PolarHBondContact O-OG 3.03Å
658S42.8Very low42.9Very low47 Ų4772.9 Ų72.933%0.32943%0.428SS..Hα-helixtrans-68.8-20.1173.2-175.30000114Y654 Y656 S661 L662Y654-S658 PolarHBondContact O-N 3.22Å; Y656-S658 VanDerWaalsContact C-N 3.25Å; Y656-S658 PolarHBondContact O-N 3.13Å; S658-S661 PolarHBondContact O-OG 3.32Å; S658-L662 WeakPolarHBondContact O-CD1 3.24Å
659M40.7Very low41.5Very low83 Ų8377.9 Ų77.941%0.40946%0.459SS..Hα-helixtrans-81.9-46.8176.9-60.7-97.463.100110.1H655 Y656 N657 S661 L662H655-M659 WeakPolarHBondContact O-CG 3.44Å; H655-M659 PolarHBondContact O-N 3.16Å; Y656-M659 PolarHBondContact O-N 2.87Å; N657-M659 VanDerWaalsContact C-N 3.27Å; N657-M659 PolarHBondContact O-N 2.96Å; M659-S661 PolarHBondContact O-N 3.17Å; M659-L662 PolarHBondContact O-N 3.04Å
660N38.4Very low40.2Very low79 Ų7983.2 Ų83.242%0.42249%0.492SS..Hα-helixtrans-68.4-16.4-178.3-73.20.2000114.1Y656 S663Y656-N660 PolarHBondContact O-N 2.86Å; N660-S663 WeakPolarHBondContact CA-OG 3.37Å; N660-S663 PolarHBondContact O-OG 3.22Å; N660-S663 VanDerWaalsContact O-OG 3.1Å
661S39.1Very low38.9Very low71 Ų7189.3 Ų89.350%0.49753%0.529SS..THydrogen-bonded Turntrans-81.5-19.8175.760.30000114.1N657 S658 M659N657-S661 PolarHBondContact O-N 3.18Å; N657-S661 PolarHBondContact O-OG 3.03Å; S658-S661 PolarHBondContact O-OG 3.32Å; M659-S661 PolarHBondContact O-N 3.17Å
662L40.6Very low37.5Very low122 Ų12293.4 Ų93.464%0.63956%0.555SS**THydrogen-bonded Turntrans-86.9-24.6173.9-86.578.3000112.5S658 M659 S664S658-L662 WeakPolarHBondContact O-CD1 3.24Å; M659-L662 PolarHBondContact O-N 3.04Å; L662-S664 PolarHBondContact O-N 3.26Å
663S37.6Very low36.5Very low97 Ų9798.3 Ų98.368%0.67859%0.593SS**THydrogen-bonded Turntrans-799.1-174.355.60000115.3N660N660-S663 WeakPolarHBondContact CA-OG 3.37Å; N660-S663 PolarHBondContact O-OG 3.22Å; N660-S663 VanDerWaalsContact O-OG 3.1Å
664S32.6Very low35.4Very low101 Ų101102.8 Ų102.871%0.70663%0.625SS**THydrogen-bonded Turntrans-115.97.8-175.757.10000114.7L662L662-S664 PolarHBondContact O-N 3.26Å
665S29.4Very low34.4Very low94 Ų94103.3 Ų103.366%0.65764%0.642SS**SBendtrans-142.461.4-170.667.50000116.1
666S29.5Very low33.4Very low118 Ų118104.4 Ų104.483%0.82566%0.655SS**  trans-171.1112.5153.948.80000114.5
667S28.6Very low32.6Very low114 Ų114108 Ų10880%0.79768%0.678SS**  trans-160.171.416463.30000114.1
668T32Very low31.8Very low133 Ų133107.5 Ų107.582%0.81668%0.683SS**  trans-169.397.3147.110.70000113.2
669T32.5Very low30.9Very low114 Ų114116.6 Ų116.670%0.69971%0.71SS**  trans42.6105.2133.554.80000121.6
670T27Very low30.2Very low124 Ų124118.8 Ų118.876%0.76173%0.729SS**  39.5133.2117.862.20000119.9
671T30.4Very low29.5Very low127 Ų127119.9 Ų119.978%0.77974%0.742SS**  -162.4158.360.237.50000115.5
672T26.1Very low28.8Very low127 Ų127121.7 Ų121.778%0.77976%0.755SS**  trans2.9129.5157.156.40000122.4
673S29.9Very low28.1Very low132 Ų132121.6 Ų121.692%0.92376%0.764SS**  -177176.6111.344.40000111.8
674S25.2Very low27.6Very low110 Ų110122.5 Ų122.577%0.76977%0.768SS**  trans-118151.4-164.850.30000113.8
675S26.4Very low27.2Very low104 Ų104123.9 Ų123.973%0.72777%0.773SS**  168.1134121.860.40000116
676T27.3Very low27.1Very low113 Ų113124.7 Ų124.769%0.69378%0.778SS**  trans50.3118.7139.159.40000124.1
677I26.1Very low26.8Very low156 Ų156127.8 Ų127.880%0.879%0.785SS**  56.2120.4118.9-60.2160.8000116.8
678S25.4Very low26.6Very low92 Ų92126.2 Ų126.264%0.64377%0.774SS**  cis-176.8154.746.836.10000114.7
679R24.7Very low26.3Very low238 Ų238127.5 Ų127.590%0.89877%0.774SS**  trans57140143.3-65.4172.4176.8-179.6-1.3118.4
680T24.9Very low25.9Very low129 Ų129127.4 Ų127.479%0.79177%0.769SS**  cis-146.1177.634.547.40000115.3
681S24.6Very low25.9Very low101 Ų101128.7 Ų128.771%0.70677%0.771SS**  trans80.7105.8154.643.60000122.6
682S24.3Very low25.6Very low109 Ų109130.4 Ų130.476%0.76277%0.77SS**  trans59.7108.8134.261.30000123.2
683S24.8Very low25.5Very low120 Ų120132 Ų13284%0.83977%0.773SS**  -177.4162.8114.742.40000111.7
684P28.3Very low25.2Very low117 Ų117134.7 Ų134.776%0.7677%0.771SS**  trans-113.7169.8-168.541.7-33.6000116.7
685T24.2Very low25.2Very low130 Ų130135.9 Ų135.980%0.79877%0.768SS**  trans-16.8127.5165.553.90000119.9
686S26Very low25.1Very low110 Ų110137.4 Ų137.477%0.76977%0.768SS**  176.3155116.745.20000111.3S688S686-S688 PolarHBondContact O-N 3.39Å
687L23.9Very low25.1Very low184 Ų184137 Ų13796%0.96377%0.767SS**  trans-83.7105.9175.8-83.779000110.7
688S24.6Very low25.1Very low81 Ų81136.2 Ų136.257%0.56677%0.765SS**  trans-129.3134.5157.560.80000109.2S686 N690S686-S688 PolarHBondContact O-N 3.39Å; S688-N690 PolarHBondContact O-N 2.98Å
689I26.7Very low25.3Very low159 Ų159140.5 Ų140.582%0.81577%0.772SS**  trans-85.869.1-178.8-54.9178.1000108.7
690N23.5Very low25.5Very low112 Ų112138.2 Ų138.260%0.59977%0.768SS**  trans-89.299.9170.5-84.34.1000109.6S688 H692S688-N690 PolarHBondContact O-N 2.98Å; N690-H692 PolarHBondContact O-N 3.16Å
691N26.6Very low25.6Very low152 Ų152141 Ų14181%0.81377%0.772SS**  trans-75.266.5171.3-78.3-27000111.4L693N691-L693 PolarHBondContact O-N 3.16Å
692H23.2Very low25.9Very low162 Ų162144.9 Ų144.975%0.7578%0.777SS**  trans-70.7116.7166.2-85.3-67.8000110.1N690N690-H692 PolarHBondContact O-N 3.16Å
693L24.3Very low26.5Very low161 Ų161144.9 Ų144.984%0.84378%0.777SS**  trans-111108.2162-87.9163.7000108.5N691N691-L693 PolarHBondContact O-N 3.16Å
694Q23.7Very low27.4Very low188 Ų188145.7 Ų145.788%0.87977%0.77SS**  trans-72.2143.6168.7-71.5-179.9-26.100110
695L24.9Very low28.6Very low135 Ų135143.1 Ų143.171%0.70775%0.748SS**  trans-128.4154.7167.5-83.5168.9000110.3
696N25.2Very low30Very low137 Ų137139.7 Ų139.773%0.73373%0.728SS**  trans-61.1141.2-168.2-104-40.1000113.4N698N696-N698 PolarHBondContact O-N 2.76Å
697P27.9Very low31.4Very low103 Ų103136.1 Ų136.167%0.66970%0.7SS**SBendtrans-73.32.4-177.131.1-36.8000114.9F699P697-F699 PolarHBondContact O-N 3.07Å
698N26.2Very low32.9Very low141 Ų141129.8 Ų129.875%0.75466%0.663SS**  trans-99.539.1-171.3-70.7-4.6000113.8N696N696-N698 PolarHBondContact O-N 2.76Å
699F29.8Very low34.7Very low181 Ų181130.4 Ų130.479%0.79466%0.657SS**  trans-127.154.2168.7-94.6-81.7000111.5P697P697-F699 PolarHBondContact O-N 3.07Å
700K27.4Very low36.3Very low190 Ų190127 Ų12783%0.82663%0.634SS**  trans-78.7147.2157.1-69.3-179.2177.9178.40108.6
701E28.3Very low38.1Very low187 Ų187121.6 Ų121.687%0.87461%0.606SS**  trans65.185.4-179.8-54.6-173.1156.700116.4
702K30.9Very low39.8Very low184 Ų184117 Ų11780%0.858%0.58SS**  trans-158.9137.4139.9-109.1146.7-170.41710112.2
703S35.1Very low41.8Very low109 Ų109113.6 Ų113.676%0.76256%0.563SS**  trans-10.9119174.454.60000117.7H705S703-H705 PolarHBondContact O-N 3.06Å
704I45.3Very low43.6Very low136 Ų136107.1 Ų107.170%0.69753%0.529SS*.  trans-58.7120.3162-61.2172.7000107.9
705H52.4Low45.5Very low64 Ų6498.2 Ų98.230%0.29649%0.488SS..  trans-66.9128.4-179.1-168.8-32.4000109.1S703 I707 Y708S703-H705 PolarHBondContact O-N 3.06Å; H705-I707 PolarHBondContact O-N 2.87Å; H705-Y708 HydrophobicContact CB-CD2 4.13Å; H705-Y708 PolarHBondContact O-N 2.92Å
706P55Low47.3Very low58 Ų5894.6 Ų94.638%0.37747%0.469SS..Hα-helixtrans-58.6-12.4-167.115.7-32.2000116.7Y708 R710 M877P706-Y708 VanDerWaalsContact C-N 3.34Å; P706-R710 WeakPolarHBondContact O-CB 3.28Å; P706-R710 PolarHBondContact O-N 3.03Å; P706-M877 HydrophobicContact CG-CE 4.1Å; P706-M877 HydrophobicContact CG-SD 4.41Å
707I54.1Low49.2Very low34 Ų3490.6 Ų90.617%0.17445%0.445CS..Hα-helixtrans-65.1-38.8171.1-61.2172.3000110.7I653 H705 R710 I711I653-I707 HydrophobicContact CD1-CD1 3.74Å; H705-I707 PolarHBondContact O-N 2.87Å; I707-R710 PolarHBondContact O-N 3.16Å; I707-I711 HydrophobicContact CG2-CD1 3.85Å; I707-I711 VanDerWaalsContact O-CG1 3.28Å; I707-I711 WeakPolarHBondContact O-CG1 3.39Å; I707-I711 PolarHBondContact O-N 3.39Å
708Y56Low50.7Low51 Ų5185.7 Ų85.720%0.241%0.414CS..Hα-helixtrans-69.6-41.3-178.9-72.5-102.7000111.8H705 P706 R710 I711 I712 F754H705-Y708 HydrophobicContact CB-CD2 4.13Å; H705-Y708 PolarHBondContact O-N 2.92Å; P706-Y708 VanDerWaalsContact C-N 3.34Å; Y708-R710 VanDerWaalsContact C-N 3.34Å; Y708-R710 PolarHBondContact O-N 3.43Å; Y708-I711 PolarHBondContact O-N 3.02Å; Y708-I712 WeakPolarHBondContact O-CG1 3.44Å; Y708-I712 PolarHBondContact O-N 3.15Å; Y708-F754 AromaticContact CD1-CE1 3.81Å; Y708-F754 HydrophobicContact CD1-CE1 3.81Å; Y708-F754 HydrophobicContact CD1-CE2 4.1Å; Y708-F754 AromaticContact CD1-CZ 3.31Å; Y708-F754 HydrophobicContact CD1-CZ 3.31Å; Y708-F754 HydrophobicContact CE1-CE2 4.29Å; Y708-F754 AromaticContact CE1-CZ 3.94Å; Y708-F754 HydrophobicContact CE1-CZ 3.94Å; Y708-F754 HydrophobicContact CG-CE1 4.47Å; Y708-F754 HydrophobicContact CG-CZ 4.03Å
709E61.1Low52.5Low95 Ų9580 Ų8044%0.44438%0.383SS..Hα-helixtrans-61.3-43.1173.4-167.1-157.513000111.3I711 I712 K713E709-I711 PolarHBondContact O-N 3.25Å; E709-I712 PolarHBondContact O-N 3.26Å; E709-K713 PolarHBondContact O-N 2.9Å; E709-K713 WeakPolarHBondContact OE1-CE 3.41Å; E709-K713 IonicContact OE1-NZ 2.98Å; E709-K713 PolarHBondContact OE1-NZ 3.14Å
710R61.4Low54Low86 Ų8677.2 Ų77.233%0.32537%0.367SS..Hα-helixtrans-63.9-39176.8-169.8172.5179.8128.80.1112.3Y646 P706 I707 Y708 K713 L714 L880Y646-R710 PolarHBondContact OH-NE 3.04Å; Y646-R710 PolarHBondContact OH-NH2 3.49Å; P706-R710 WeakPolarHBondContact O-CB 3.28Å; P706-R710 PolarHBondContact O-N 3.03Å; I707-R710 PolarHBondContact O-N 3.16Å; Y708-R710 VanDerWaalsContact C-N 3.34Å; Y708-R710 PolarHBondContact O-N 3.43Å; R710-K713 PolarHBondContact O-N 3.37Å; R710-L714 WeakPolarHBondContact O-CB 3.45Å; R710-L714 WeakPolarHBondContact O-CG 3.22Å; R710-L714 PolarHBondContact O-N 3.23Å; R710-L880 VanDerWaalsContact NH2-CD1 3.27Å
711I61.8Low55.6Low0 Ų068.8 Ų68.80%033%0.331CS..Hα-helixtrans-63.2-44.7172.9-70.8162.6000110.8Y646 L647 A650 I707 Y708 E709 L714 L715 F754Y646-I711 HydrophobicContact CG-CG1 4.49Å; L647-I711 HydrophobicContact CD2-CD1 4.28Å; L647-I711 HydrophobicContact CD2-CG2 3.88Å; A650-I711 HydrophobicContact CB-CD1 4.17Å; I707-I711 HydrophobicContact CG2-CD1 3.85Å; I707-I711 VanDerWaalsContact O-CG1 3.28Å; I707-I711 WeakPolarHBondContact O-CG1 3.39Å; I707-I711 PolarHBondContact O-N 3.39Å; Y708-I711 PolarHBondContact O-N 3.02Å; E709-I711 PolarHBondContact O-N 3.25Å; I711-L714 PolarHBondContact O-N 3.48Å; I711-L715 HydrophobicContact CG2-CD1 3.77Å; I711-L715 HydrophobicContact CG2-CG 4.45Å; I711-L715 WeakPolarHBondContact O-CB 3.28Å; I711-L715 WeakPolarHBondContact O-CG 3.45Å; I711-L715 PolarHBondContact O-N 2.99Å; I711-F754 HydrophobicContact CB-CE1 4.2Å; I711-F754 HydrophobicContact CB-CE2 4.37Å; I711-F754 HydrophobicContact CB-CZ 3.78Å; I711-F754 HydrophobicContact CD1-CE2 4.12Å; I711-F754 HydrophobicContact CD1-CZ 3.89Å; I711-F754 HydrophobicContact CG1-CZ 4.46Å; I711-F754 HydrophobicContact CG2-CD1 4.33Å; I711-F754 HydrophobicContact CG2-CD2 4.14Å; I711-F754 HydrophobicContact CG2-CE1 3.84Å; I711-F754 HydrophobicContact CG2-CE2 3.64Å; I711-F754 HydrophobicContact CG2-CG 4.47Å; I711-F754 HydrophobicContact CG2-CZ 3.46Å; I711-F754 VanDerWaalsContact CG2-CZ 3.46Å
712I62.2Low57.2Low56 Ų5660 Ų6029%0.28729%0.29SS..Hα-helixtrans-61.3-46.1176-71.7162.6000111.1Y708 E709 L714 L715 N716 F751 F754Y708-I712 WeakPolarHBondContact O-CG1 3.44Å; Y708-I712 PolarHBondContact O-N 3.15Å; E709-I712 PolarHBondContact O-N 3.26Å; I712-L714 VanDerWaalsContact C-N 3.34Å; I712-L714 PolarHBondContact O-N 3.06Å; I712-L715 PolarHBondContact O-N 3.4Å; I712-N716 WeakPolarHBondContact O-CB 3.47Å; I712-N716 VanDerWaalsContact O-CG 3.28Å; I712-N716 PolarHBondContact O-N 3.31Å; I712-N716 PolarHBondContact O-ND2 3.48Å; I712-F751 HydrophobicContact CG2-CE2 4.4Å; I712-F754 HydrophobicContact CD1-CD1 4.28Å; I712-F754 HydrophobicContact CD1-CE1 4.05Å; I712-F754 HydrophobicContact CG1-CD1 3.82Å; I712-F754 HydrophobicContact CG1-CE1 3.73Å
713K65.1Low58.7Low90 Ų9052.9 Ų52.939%0.39126%0.261SS..Hα-helixtrans-58.7-42.3175.6-78.9175.6166.41750112.1E709 R710 K717 E882E709-K713 PolarHBondContact O-N 2.9Å; E709-K713 WeakPolarHBondContact OE1-CE 3.41Å; E709-K713 IonicContact OE1-NZ 2.98Å; E709-K713 PolarHBondContact OE1-NZ 3.14Å; R710-K713 PolarHBondContact O-N 3.37Å; K713-K717 PolarHBondContact O-N 2.69Å; K713-E882 WeakPolarHBondContact CE-OE1 3.35Å; K713-E882 IonicContact NZ-OE1 2.77Å; K713-E882 PolarHBondContact NZ-OE1 2.89Å; K713-E882 IonicContact NZ-OE2 3.48Å
714L61.2Low60Low25 Ų2549.4 Ų49.413%0.13123%0.232CC..Hα-helixtrans-69-44.2176.3-72.5171.2000112.5L639 I643 Y646 R710 I711 I712 N716 K717 A718L639-L714 HydrophobicContact CD2-CD2 4.03Å; I643-L714 HydrophobicContact CD1-CB 4Å; I643-L714 HydrophobicContact CG1-CB 3.64Å; I643-L714 HydrophobicContact CG1-CD1 4.45Å; Y646-L714 HydrophobicContact CD2-CD1 3.67Å; Y646-L714 HydrophobicContact CE2-CD1 3.57Å; R710-L714 WeakPolarHBondContact O-CB 3.45Å; R710-L714 WeakPolarHBondContact O-CG 3.22Å; R710-L714 PolarHBondContact O-N 3.23Å; I711-L714 PolarHBondContact O-N 3.48Å; I712-L714 VanDerWaalsContact C-N 3.34Å; I712-L714 PolarHBondContact O-N 3.06Å; L714-N716 VanDerWaalsContact C-N 3.34Å; L714-N716 PolarHBondContact O-N 3.1Å; L714-K717 CarbonylContact O-C 3.58Å; L714-K717 WeakPolarHBondContact O-CA 3.24Å; L714-K717 WeakPolarHBondContact O-CB 3.38Å; L714-K717 PolarHBondContact O-N 2.7Å; L714-A718 PolarHBondContact O-N 3.28Å
715L63.9Low60.6Low0 Ų043 Ų430%020%0.199CC..Hα-helixtrans-60.1-42.8175.6-81.7165.1000111.8I643 I711 I712 K717 A718 I719 L750 F751 F754I643-L715 HydrophobicContact CD1-CD2 3.94Å; I643-L715 HydrophobicContact CD1-CG 4.04Å; I643-L715 HydrophobicContact CG2-CD2 4.04Å; I643-L715 HydrophobicContact CG2-CG 4.16Å; I711-L715 HydrophobicContact CG2-CD1 3.77Å; I711-L715 HydrophobicContact CG2-CG 4.45Å; I711-L715 WeakPolarHBondContact O-CB 3.28Å; I711-L715 WeakPolarHBondContact O-CG 3.45Å; I711-L715 PolarHBondContact O-N 2.99Å; I712-L715 PolarHBondContact O-N 3.4Å; L715-K717 PolarHBondContact O-N 3.12Å; L715-A718 CarbonylContact O-C 3.41Å; L715-A718 PolarHBondContact O-N 3.06Å; L715-A718 VanDerWaalsContact O-N 3.08Å; L715-I719 WeakPolarHBondContact O-CG1 3.36Å; L715-I719 PolarHBondContact O-N 2.99Å; L715-L750 HydrophobicContact CD1-CD2 4.18Å; L715-L750 HydrophobicContact CD2-CD2 3.46Å; L715-L750 VanDerWaalsContact CD2-CD2 3.46Å; L715-L750 HydrophobicContact CG-CD2 4.43Å; L715-F751 HydrophobicContact CB-CD2 3.8Å; L715-F751 HydrophobicContact CD1-CD2 4.11Å; L715-F754 HydrophobicContact CD1-CB 4.47Å; L715-F754 HydrophobicContact CD1-CG 4.47Å
716N63.6Low61Low60 Ų6041.2 Ų41.232%0.32119%0.192SC..Hα-helixtrans-63.7-21.4173.5-72.9-25.5000113.2I712 L714 R720 F751I712-N716 WeakPolarHBondContact O-CB 3.47Å; I712-N716 VanDerWaalsContact O-CG 3.28Å; I712-N716 PolarHBondContact O-N 3.31Å; I712-N716 PolarHBondContact O-ND2 3.48Å; L714-N716 VanDerWaalsContact C-N 3.34Å; L714-N716 PolarHBondContact O-N 3.1Å; N716-R720 WeakPolarHBondContact O-CG 3.4Å; N716-R720 PolarHBondContact O-NE 2.85Å; N716-F751 WeakPolarHBondContact OD1-CE2 3.33Å
717K63.9Low61.3Low53 Ų5339.3 Ų39.323%0.2318%0.178CC..Hα-helixtrans-84.6-35.4171-153.7169.6-170.9175.70111.4Y635 L639 K713 L714 L715 N721 L885Y635-K717 WeakPolarHBondContact OH-CE 3.37Å; Y635-K717 PolarHBondContact OH-NZ 3.12Å; Y635-K717 VanDerWaalsContact OH-NZ 3.17Å; L639-K717 HydrophobicContact CD1-CB 4.32Å; L639-K717 HydrophobicContact CD1-CG 4.12Å; L639-K717 HydrophobicContact CD2-CB 4.39Å; L639-K717 HydrophobicContact CD2-CD 4.28Å; L639-K717 HydrophobicContact CD2-CG 4.45Å; K713-K717 PolarHBondContact O-N 2.69Å; L714-K717 CarbonylContact O-C 3.58Å; L714-K717 WeakPolarHBondContact O-CA 3.24Å; L714-K717 WeakPolarHBondContact O-CB 3.38Å; L714-K717 PolarHBondContact O-N 2.7Å; L715-K717 PolarHBondContact O-N 3.12Å; K717-N721 WeakPolarHBondContact O-CB 3.47Å; K717-N721 PolarHBondContact O-N 3.41Å; K717-N721 VanDerWaalsContact O-N 3.13Å; K717-N721 PolarHBondContact O-ND2 3.33Å; K717-L885 PolarHBondContact NZ-O 2.85Å
718A60.1Low61.3Low0 Ų039.8 Ų39.80%018%0.18CC..Hα-helixtrans-67.7-41.117400000113W636 L639 I640 I643 L714 L715 N721 S722 T747W636-A718 PolarHBondContact NE1-O 3.19Å; W636-A718 VanDerWaalsContact NE1-O 3.16Å; L639-A718 HydrophobicContact CB-CB 4.34Å; I640-A718 HydrophobicContact CD1-CB 4.4Å; I640-A718 HydrophobicContact CG1-CB 4.05Å; I643-A718 HydrophobicContact CD1-CB 3.81Å; L714-A718 PolarHBondContact O-N 3.28Å; L715-A718 CarbonylContact O-C 3.41Å; L715-A718 PolarHBondContact O-N 3.06Å; L715-A718 VanDerWaalsContact O-N 3.08Å; A718-N721 CarbonylContact O-C 3.42Å; A718-N721 PolarHBondContact O-N 3.35Å; A718-S722 PolarHBondContact O-N 3.38Å; A718-T747 HydrophobicContact CB-CG2 4.33Å
719I64.3Low61.2Low22 Ų2238.7 Ų38.711%0.11318%0.177CC..Hα-helixtrans-64.8-47.3176.3-69.9163.4000111.2L715 N721 S722 L723 T747 F751L715-I719 WeakPolarHBondContact O-CG1 3.36Å; L715-I719 PolarHBondContact O-N 2.99Å; I719-N721 PolarHBondContact O-N 3.02Å; I719-S722 WeakPolarHBondContact CA-OG 3.38Å; I719-S722 PolarHBondContact O-N 3.28Å; I719-S722 PolarHBondContact O-OG 3.32Å; I719-L723 HydrophobicContact CG2-CD1 3.93Å; I719-L723 WeakPolarHBondContact O-CG 3.39Å; I719-L723 PolarHBondContact O-N 2.91Å; I719-T747 HydrophobicContact CG1-CG2 3.88Å; I719-F751 HydrophobicContact CD1-CB 3.74Å; I719-F751 HydrophobicContact CD1-CD1 4.04Å; I719-F751 HydrophobicContact CD1-CD2 4.08Å; I719-F751 HydrophobicContact CD1-CG 3.7Å
720R61.9Low60.7Low121 Ų12134.7 Ų34.746%0.45716%0.159SC..Hα-helixtrans-58.5-39.8174.8-76.6-179.9-74.3175-4.8111.4N716 K724N716-R720 WeakPolarHBondContact O-CG 3.4Å; N716-R720 PolarHBondContact O-NE 2.85Å; R720-K724 WeakPolarHBondContact O-CG 3.17Å; R720-K724 PolarHBondContact O-N 3.29Å
721N60.6Low60.1Low13 Ų1332.6 Ų32.67%0.0716%0.164CC..Hα-helixtrans-73-34.5175.9-78.8-26.6000114.3Y635 W636 L639 K717 A718 I719 L723 K724 I725Y635-N721 WeakPolarHBondContact CD1-ND2 3.43Å; Y635-N721 WeakPolarHBondContact CE1-ND2 3.2Å; W636-N721 HydrophobicContact CB-CB 4.23Å; W636-N721 HydrophobicContact CG-CB 4.42Å; L639-N721 WeakPolarHBondContact CD1-ND2 3.45Å; K717-N721 WeakPolarHBondContact O-CB 3.47Å; K717-N721 PolarHBondContact O-N 3.41Å; K717-N721 VanDerWaalsContact O-N 3.13Å; K717-N721 PolarHBondContact O-ND2 3.33Å; A718-N721 CarbonylContact O-C 3.42Å; A718-N721 PolarHBondContact O-N 3.35Å; I719-N721 PolarHBondContact O-N 3.02Å; N721-L723 VanDerWaalsContact C-N 3.27Å; N721-L723 PolarHBondContact O-N 3Å; N721-K724 PolarHBondContact O-N 3.34Å; N721-I725 WeakPolarHBondContact O-CD1 3.42Å; N721-I725 VanDerWaalsContact O-CG1 3.25Å; N721-I725 WeakPolarHBondContact O-CG1 3.3Å; N721-I725 PolarHBondContact O-N 2.84Å
722S62.2Low59.6Low2 Ų236.7 Ų36.71%0.01418%0.182CC..Hα-helixtrans-63.1-38.9173.557.90000110.5A718 I719 I725 N726 C744A718-S722 PolarHBondContact O-N 3.38Å; I719-S722 WeakPolarHBondContact CA-OG 3.38Å; I719-S722 PolarHBondContact O-N 3.28Å; I719-S722 PolarHBondContact O-OG 3.32Å; S722-I725 CarbonylContact O-C 3.38Å; S722-I725 WeakPolarHBondContact O-CB 3.49Å; S722-I725 PolarHBondContact O-N 3.42Å; S722-I725 VanDerWaalsContact O-N 3.15Å; S722-N726 WeakPolarHBondContact O-CB 3.4Å; S722-N726 PolarHBondContact O-N 3.23Å; S722-C744 PolarHBondContact O-SG 3.21Å
723L62.5Low59.4Low35 Ų3537.4 Ų37.418%0.18319%0.189CC..Hα-helixtrans-70.7-34.8176.7-64.7169.3000112.5S60 A61 I719 N721 I725 N726 H727S60-L723 VanDerWaalsContact O-CD1 3.28Å; S60-L723 WeakPolarHBondContact O-CD1 3.28Å; A61-L723 HydrophobicContact CB-CB 3.58Å; A61-L723 HydrophobicContact CB-CD1 4.15Å; A61-L723 HydrophobicContact CB-CG 4.44Å; I719-L723 HydrophobicContact CG2-CD1 3.93Å; I719-L723 WeakPolarHBondContact O-CG 3.39Å; I719-L723 PolarHBondContact O-N 2.91Å; N721-L723 VanDerWaalsContact C-N 3.27Å; N721-L723 PolarHBondContact O-N 3Å; L723-I725 VanDerWaalsContact C-N 3.29Å; L723-I725 PolarHBondContact O-N 2.95Å; L723-N726 PolarHBondContact O-N 3.29Å; L723-H727 WeakPolarHBondContact O-CB 3.37Å; L723-H727 PolarHBondContact O-N 2.99Å
724K60.9Low59.1Low37 Ų3739.3 Ų39.316%0.16120%0.198CC..Hα-helixtrans-59.8-36.7166.3-72.9178.8-163.2-1360112.5E66 W70 R720 N721 L728E66-K724 IonicContact OE1-NZ 3.16Å; E66-K724 PolarHBondContact OE1-NZ 3.37Å; W70-K724 HydrophobicContact CD2-CG 4.2Å; W70-K724 HydrophobicContact CE3-CG 4.02Å; W70-K724 HydrophobicContact CH2-CD 3.99Å; W70-K724 HydrophobicContact CH2-CG 3.34Å; W70-K724 HydrophobicContact CZ2-CD 3.67Å; W70-K724 HydrophobicContact CZ2-CG 3.48Å; W70-K724 VanDerWaalsContact CZ2-CG 3.48Å; W70-K724 VanDerWaalsContact CZ2-NZ 3.33Å; W70-K724 HydrophobicContact CZ3-CB 4.48Å; W70-K724 HydrophobicContact CZ3-CG 3.6Å; R720-K724 WeakPolarHBondContact O-CG 3.17Å; R720-K724 PolarHBondContact O-N 3.29Å; N721-K724 PolarHBondContact O-N 3.34Å; K724-L728 WeakPolarHBondContact O-CB 3.39Å; K724-L728 WeakPolarHBondContact O-CD1 3.39Å; K724-L728 VanDerWaalsContact O-CG 3.28Å; K724-L728 WeakPolarHBondContact O-CG 3.45Å; K724-L728 PolarHBondContact O-N 3.4Å; K724-L728 VanDerWaalsContact O-N 3.08Å
725I58.8Low59Low2 Ų245.8 Ų45.81%0.0122%0.222CC..Hα-helixtrans-73.8-41.4176.1-62.2157.2000110.4L633 W636 N721 S722 L723 H727 L728 F729 V740L633-I725 HydrophobicContact CD1-CD1 4.03Å; L633-I725 HydrophobicContact CD1-CG2 4.15Å; W636-I725 HydrophobicContact CB-CD1 3.62Å; W636-I725 HydrophobicContact CD2-CD1 4.39Å; W636-I725 HydrophobicContact CG-CD1 3.75Å; N721-I725 WeakPolarHBondContact O-CD1 3.42Å; N721-I725 VanDerWaalsContact O-CG1 3.25Å; N721-I725 WeakPolarHBondContact O-CG1 3.3Å; N721-I725 PolarHBondContact O-N 2.84Å; S722-I725 CarbonylContact O-C 3.38Å; S722-I725 WeakPolarHBondContact O-CB 3.49Å; S722-I725 PolarHBondContact O-N 3.42Å; S722-I725 VanDerWaalsContact O-N 3.15Å; L723-I725 VanDerWaalsContact C-N 3.29Å; L723-I725 PolarHBondContact O-N 2.95Å; I725-H727 VanDerWaalsContact C-N 3.3Å; I725-H727 PolarHBondContact O-N 3.47Å; I725-L728 PolarHBondContact O-N 3.15Å; I725-L728 VanDerWaalsContact O-N 3.13Å; I725-F729 HydrophobicContact CG2-CD2 4.07Å; I725-F729 HydrophobicContact CG2-CE2 4.33Å; I725-F729 WeakPolarHBondContact O-CD2 3.48Å; I725-F729 PolarHBondContact O-N 3.32Å; I725-F729 VanDerWaalsContact O-N 3.08Å; I725-V740 HydrophobicContact CB-CG1 4.4Å; I725-V740 HydrophobicContact CG2-CG1 3.86Å; I725-V740 HydrophobicContact CG2-CG2 4.33Å
726N60.2Low58.5Low26 Ų2646.8 Ų46.814%0.13923%0.226CC..Hα-helixtrans-60-41.7175.8-15928.6000111.5S722 L723 F729 S730 V740S722-N726 WeakPolarHBondContact O-CB 3.4Å; S722-N726 PolarHBondContact O-N 3.23Å; L723-N726 PolarHBondContact O-N 3.29Å; N726-F729 CarbonylContact O-C 3.58Å; N726-F729 PolarHBondContact O-N 3.03Å; N726-S730 PolarHBondContact O-N 3.31Å; N726-V740 VanDerWaalsContact CA-CG1 3.4Å; N726-V740 HydrophobicContact CB-CG1 3.83Å
727H61.2Low58.3Low17 Ų1745.4 Ų45.48%0.07922%0.221CC..Hα-helixtrans-57.2-55.8169174.1-75.7000111.8W70 H71 L723 I725 F729 S730W70-H727 WeakPolarHBondContact CB-ND1 3.36Å; W70-H727 HydrophobicContact CE3-CB 4.13Å; W70-H727 AromaticContact CE3-CG 3.97Å; W70-H727 PolarHBondContact O-NE2 3.08Å; H71-H727 WeakPolarHBondContact CA-NE2 3.35Å; H71-H727 AromaticContact CD2-CD2 3.82Å; H71-H727 AromaticContact CE1-CD2 3.33Å; H71-H727 PolarHBondContact CE1-CD2 3.28Å; H71-H727 AromaticContact CG-CD2 3.96Å; H71-H727 PolarHBondContact N-NE2 3.18Å; H71-H727 AromaticContact ND1-CD2 3.65Å; H71-H727 AromaticContact NE2-CD2 3.46Å; H71-H727 PolarHBondContact NE2-CD2 3.44Å; L723-H727 WeakPolarHBondContact O-CB 3.37Å; L723-H727 PolarHBondContact O-N 2.99Å; I725-H727 VanDerWaalsContact C-N 3.3Å; I725-H727 PolarHBondContact O-N 3.47Å; H727-F729 PolarHBondContact O-N 2.86Å; H727-S730 WeakPolarHBondContact O-CB 3.37Å; H727-S730 PolarHBondContact O-N 2.94Å; H727-S730 PolarHBondContact O-OG 3.44Å
728L55.3Low58.4Low45 Ų4546.8 Ų46.824%0.23623%0.23CC..Hα-helixtrans-62.6-8.8-177.9-77.8167.6000115N632 K724 I725 K732N632-L728 HydrophobicContact CB-CD1 4.42Å; K724-L728 WeakPolarHBondContact O-CB 3.39Å; K724-L728 WeakPolarHBondContact O-CD1 3.39Å; K724-L728 VanDerWaalsContact O-CG 3.28Å; K724-L728 WeakPolarHBondContact O-CG 3.45Å; K724-L728 PolarHBondContact O-N 3.4Å; K724-L728 VanDerWaalsContact O-N 3.08Å; I725-L728 PolarHBondContact O-N 3.15Å; I725-L728 VanDerWaalsContact O-N 3.13Å; L728-K732 WeakPolarHBondContact O-CE 3.18Å; L728-K732 PolarHBondContact O-NZ 2.95Å
729F53.4Low58.5Low27 Ų2749.6 Ų49.612%0.11824%0.241CC..Hα-helixtrans-121.82.9176.2-75.5-101.8000113.1I725 N726 H727 K732 E736 V740 L776I725-F729 HydrophobicContact CG2-CD2 4.07Å; I725-F729 HydrophobicContact CG2-CE2 4.33Å; I725-F729 WeakPolarHBondContact O-CD2 3.48Å; I725-F729 PolarHBondContact O-N 3.32Å; I725-F729 VanDerWaalsContact O-N 3.08Å; N726-F729 CarbonylContact O-C 3.58Å; N726-F729 PolarHBondContact O-N 3.03Å; H727-F729 PolarHBondContact O-N 2.86Å; F729-K732 HydrophobicContact CB-CD 4.43Å; F729-K732 HydrophobicContact CD1-CD 3.72Å; F729-K732 HydrophobicContact CE1-CD 4.24Å; F729-K732 HydrophobicContact CG-CD 4.23Å; F729-K732 PolarHBondContact O-N 3.21Å; F729-E736 HydrophobicContact CD1-CB 4.15Å; F729-E736 HydrophobicContact CD1-CG 4.29Å; F729-E736 WeakPolarHBondContact CD1-OE2 3.4Å; F729-E736 WeakPolarHBondContact CE1-OE2 3.33Å; F729-V740 HydrophobicContact CB-CG2 4.08Å; F729-V740 HydrophobicContact CG-CG2 4.21Å; F729-L776 HydrophobicContact CD1-CD1 4.47Å; F729-L776 HydrophobicContact CE1-CD2 4.37Å; F729-L776 HydrophobicContact CZ-CD2 4.43Å
730S50.9Low58.4Low11 Ų1148.6 Ų48.68%0.07724%0.236CC..THydrogen-bonded Turntrans-62.8141.4169.772.70000110.2N726 H727 K732N726-S730 PolarHBondContact O-N 3.31Å; H727-S730 WeakPolarHBondContact O-CB 3.37Å; H727-S730 PolarHBondContact O-N 2.94Å; H727-S730 PolarHBondContact O-OG 3.44Å; S730-K732 VanDerWaalsContact C-N 3.25Å; S730-K732 PolarHBondContact O-N 3.03Å
731G48.4Very low58.5Low42 Ų4245.9 Ų45.943%0.43324%0.236SC..THydrogen-bonded Turntrans73.2-0.1-176.900000116.8
732K51.6Low58.8Low86 Ų8649.7 Ų49.737%0.37425%0.253SS..SBendtrans-84.3-164.4172.7-60.7-172.2-166.6158.80112.4L728 F729 S730 E736L728-K732 WeakPolarHBondContact O-CE 3.18Å; L728-K732 PolarHBondContact O-NZ 2.95Å; F729-K732 HydrophobicContact CB-CD 4.43Å; F729-K732 HydrophobicContact CD1-CD 3.72Å; F729-K732 HydrophobicContact CE1-CD 4.24Å; F729-K732 HydrophobicContact CG-CD 4.23Å; F729-K732 PolarHBondContact O-N 3.21Å; S730-K732 VanDerWaalsContact C-N 3.25Å; S730-K732 PolarHBondContact O-N 3.03Å; K732-E736 WeakPolarHBondContact CD-OE2 3.36Å
733T58Low59Low72 Ų7249.7 Ų49.744%0.44225%0.253SS..  trans-58.2148.8-176.971.50000111.4Y735 E736 S737T733-Y735 PolarHBondContact O-N 3.33Å; T733-Y735 VanDerWaalsContact O-N 3.13Å; T733-E736 VanDerWaalsContact CB-OE1 3.31Å; T733-E736 WeakPolarHBondContact CB-OE1 3.45Å; T733-E736 VanDerWaalsContact CG2-OE1 3.29Å; T733-E736 WeakPolarHBondContact CG2-OE1 3.4Å; T733-E736 PolarHBondContact N-OE1 3.39Å; T733-E736 PolarHBondContact O-N 3.47Å; T733-E736 VanDerWaalsContact O-N 3.16Å; T733-E736 WeakPolarHBondContact OG1-CG 3.25Å; T733-E736 PolarHBondContact OG1-N 3.34Å; T733-E736 PolarHBondContact OG1-OE1 3.26Å; T733-S737 PolarHBondContact O-N 3.41Å
734K59.1Low59.1Low130 Ų13048.8 Ų48.857%0.56525%0.249SC*.Hα-helixtrans-59.5-30.6-175.6-168.5175.2-179.6179.80112.4I738 N797K734-I738 HydrophobicContact CG-CD1 4.26Å; K734-I738 WeakPolarHBondContact O-CD1 3.44Å; K734-I738 VanDerWaalsContact O-CG1 3.27Å; K734-I738 WeakPolarHBondContact O-CG1 3.24Å; K734-I738 PolarHBondContact O-N 3.37Å; K734-N797 PolarHBondContact NZ-O 2.92Å
735Y57.6Low59.5Low161 Ų16149.6 Ų49.663%0.63126%0.26SS*.Hα-helixtrans-71.7-43.7178-62.5-77.8000112.5T733 S737 I738 Y739T733-Y735 PolarHBondContact O-N 3.33Å; T733-Y735 VanDerWaalsContact O-N 3.13Å; Y735-S737 VanDerWaalsContact C-N 3.34Å; Y735-S737 PolarHBondContact O-N 3.06Å; Y735-I738 PolarHBondContact O-N 3.49Å; Y735-Y739 WeakPolarHBondContact O-CD2 3.49Å; Y735-Y739 PolarHBondContact O-N 2.75Å; Y735-Y739 VanDerWaalsContact O-N 3.07Å
736E54.5Low59.8Low20 Ų2050.2 Ų50.29%0.09326%0.263CS..Hα-helixtrans-57.5-47174.6-73.9165.7-89.300111.5F729 K732 T733 I738 Y739 V740 L776 L780F729-E736 HydrophobicContact CD1-CB 4.15Å; F729-E736 HydrophobicContact CD1-CG 4.29Å; F729-E736 WeakPolarHBondContact CD1-OE2 3.4Å; F729-E736 WeakPolarHBondContact CE1-OE2 3.33Å; K732-E736 WeakPolarHBondContact CD-OE2 3.36Å; T733-E736 VanDerWaalsContact CB-OE1 3.31Å; T733-E736 WeakPolarHBondContact CB-OE1 3.45Å; T733-E736 VanDerWaalsContact CG2-OE1 3.29Å; T733-E736 WeakPolarHBondContact CG2-OE1 3.4Å; T733-E736 PolarHBondContact N-OE1 3.39Å; T733-E736 PolarHBondContact O-N 3.47Å; T733-E736 VanDerWaalsContact O-N 3.16Å; T733-E736 WeakPolarHBondContact OG1-CG 3.25Å; T733-E736 PolarHBondContact OG1-N 3.34Å; T733-E736 PolarHBondContact OG1-OE1 3.26Å; E736-I738 VanDerWaalsContact C-N 3.31Å; E736-I738 PolarHBondContact O-N 3.1Å; E736-Y739 PolarHBondContact O-N 3.04Å; E736-V740 WeakPolarHBondContact O-CG2 3.39Å; E736-V740 PolarHBondContact O-N 3.27Å; E736-L776 HydrophobicContact CB-CD1 3.99Å; E736-L776 HydrophobicContact CG-CD1 3.99Å; E736-L780 HydrophobicContact CG-CD2 4.42Å
737S59.4Low59.9Low31 Ų3149.1 Ų49.122%0.21726%0.257CS..Hα-helixtrans-60.4-38.5178.7177.60000112.6T733 Y735 S741T733-S737 PolarHBondContact O-N 3.41Å; Y735-S737 VanDerWaalsContact C-N 3.34Å; Y735-S737 PolarHBondContact O-N 3.06Å; S737-S741 WeakPolarHBondContact O-CB 3.34Å; S737-S741 PolarHBondContact O-N 3.19Å
738I65.5Low60.2Low83 Ų8353.4 Ų53.443%0.42628%0.276SS..Hα-helixtrans-65-49.1175.7-70.3164000110.9K734 Y735 E736 V740 S741 Q742K734-I738 HydrophobicContact CG-CD1 4.26Å; K734-I738 WeakPolarHBondContact O-CD1 3.44Å; K734-I738 VanDerWaalsContact O-CG1 3.27Å; K734-I738 WeakPolarHBondContact O-CG1 3.24Å; K734-I738 PolarHBondContact O-N 3.37Å; Y735-I738 PolarHBondContact O-N 3.49Å; E736-I738 VanDerWaalsContact C-N 3.31Å; E736-I738 PolarHBondContact O-N 3.1Å; I738-V740 PolarHBondContact O-N 3.31Å; I738-S741 PolarHBondContact O-N 3.49Å; I738-Q742 WeakPolarHBondContact O-CB 3.5Å; I738-Q742 PolarHBondContact O-N 2.8Å
739Y61.5Low60.6Low59 Ų5953.5 Ų53.523%0.23128%0.276CS..Hα-helixtrans-65.6-36.8-178.7-69.1-56.6000112.9Y735 E736 L743 S775Y735-Y739 WeakPolarHBondContact O-CD2 3.49Å; Y735-Y739 PolarHBondContact O-N 2.75Å; Y735-Y739 VanDerWaalsContact O-N 3.07Å; E736-Y739 PolarHBondContact O-N 3.04Å; Y739-L743 VanDerWaalsContact O-CB 3.24Å; Y739-L743 WeakPolarHBondContact O-CB 3.29Å; Y739-L743 PolarHBondContact O-N 3.41Å; Y739-S775 VanDerWaalsContact CE1-CB 3.41Å
740V62.7Low61.1Low0 Ų052.5 Ų52.50%027%0.273CS..Hα-helixtrans-74.5-32.7175.6-172.80000112.1I725 N726 F729 E736 I738 L743 C744 L776I725-V740 HydrophobicContact CB-CG1 4.4Å; I725-V740 HydrophobicContact CG2-CG1 3.86Å; I725-V740 HydrophobicContact CG2-CG2 4.33Å; N726-V740 VanDerWaalsContact CA-CG1 3.4Å; N726-V740 HydrophobicContact CB-CG1 3.83Å; F729-V740 HydrophobicContact CB-CG2 4.08Å; F729-V740 HydrophobicContact CG-CG2 4.21Å; E736-V740 WeakPolarHBondContact O-CG2 3.39Å; E736-V740 PolarHBondContact O-N 3.27Å; I738-V740 PolarHBondContact O-N 3.31Å; V740-L743 WeakPolarHBondContact O-CB 3.31Å; V740-L743 PolarHBondContact O-N 3.43Å; V740-C744 PolarHBondContact O-N 3.07Å; V740-C744 PolarHBondContact O-SG 2.97Å; V740-L776 HydrophobicContact CG2-CD1 3.84Å; V740-L776 HydrophobicContact CG2-CD2 3.98Å
741S64.6Low61.8Low64 Ų6453.9 Ų53.945%0.44828%0.277SS..Hα-helixtrans-63.5-44171-1770000111.9S737 I738 C744 S745S737-S741 WeakPolarHBondContact O-CB 3.34Å; S737-S741 PolarHBondContact O-N 3.19Å; I738-S741 PolarHBondContact O-N 3.49Å; S741-C744 WeakPolarHBondContact O-CB 3.46Å; S741-C744 PolarHBondContact O-N 3.09Å; S741-S745 PolarHBondContact O-N 3.26Å
742Q67.1Low62.5Low94 Ų9455.9 Ų55.944%0.43928%0.275SS..Hα-helixtrans-66.6-40177-170.2164.64.600112I738 C744 S745 N746I738-Q742 WeakPolarHBondContact O-CB 3.5Å; I738-Q742 PolarHBondContact O-N 2.8Å; Q742-C744 VanDerWaalsContact C-N 3.34Å; Q742-C744 PolarHBondContact O-N 2.86Å; Q742-S745 PolarHBondContact O-N 3.46Å; Q742-N746 WeakPolarHBondContact O-CB 3.28Å; Q742-N746 PolarHBondContact O-N 3Å; Q742-N746 PolarHBondContact O-ND2 3.15Å
743L64.7Low63.1Low1 Ų153.1 Ų53.11%0.00527%0.267CS..Hα-helixtrans-55.7-45.6169.2175.1160.3000112.1W636 Y739 V740 T747 I773W636-L743 HydrophobicContact CH2-CD1 3.76Å; W636-L743 HydrophobicContact CH2-CD2 3.95Å; W636-L743 HydrophobicContact CH2-CG 3.51Å; W636-L743 HydrophobicContact CZ2-CD1 3.96Å; W636-L743 HydrophobicContact CZ2-CD2 3.28Å; W636-L743 HydrophobicContact CZ2-CG 3.4Å; W636-L743 HydrophobicContact CZ3-CD1 4.2Å; W636-L743 HydrophobicContact CZ3-CG 4.42Å; Y739-L743 VanDerWaalsContact O-CB 3.24Å; Y739-L743 WeakPolarHBondContact O-CB 3.29Å; Y739-L743 PolarHBondContact O-N 3.41Å; V740-L743 WeakPolarHBondContact O-CB 3.31Å; V740-L743 PolarHBondContact O-N 3.43Å; L743-T747 PolarHBondContact O-N 3.24Å; L743-T747 VanDerWaalsContact O-N 3.15Å; L743-T747 PolarHBondContact O-OG1 3.08Å; L743-I773 HydrophobicContact CD1-CD1 3.98Å; L743-I773 HydrophobicContact CD1-CG1 3.46Å; L743-I773 VanDerWaalsContact CD1-CG1 3.46Å
744C64.9Low63.1Low16 Ų1650.3 Ų50.311%0.10825%0.249CC..Hα-helixtrans-64.9-47.3176.3-67.50000111.7S722 V740 S741 Q742 T747 F748S722-C744 PolarHBondContact O-SG 3.21Å; V740-C744 PolarHBondContact O-N 3.07Å; V740-C744 PolarHBondContact O-SG 2.97Å; S741-C744 WeakPolarHBondContact O-CB 3.46Å; S741-C744 PolarHBondContact O-N 3.09Å; Q742-C744 VanDerWaalsContact C-N 3.34Å; Q742-C744 PolarHBondContact O-N 2.86Å; C744-T747 PolarHBondContact O-N 3.31Å; C744-F748 WeakPolarHBondContact O-CB 3.31Å; C744-F748 PolarHBondContact O-N 3.48Å
745S69.5Low63Low55 Ų5547 Ų4739%0.38524%0.239SC..Hα-helixtrans-61-46.3179.6-178.30000111.6S741 Q742 T747 F748 N749S741-S745 PolarHBondContact O-N 3.26Å; Q742-S745 PolarHBondContact O-N 3.46Å; S745-T747 VanDerWaalsContact C-N 3.33Å; S745-T747 PolarHBondContact O-N 2.95Å; S745-F748 PolarHBondContact O-N 3.18Å; S745-N749 WeakPolarHBondContact O-CB 3.18Å; S745-N749 PolarHBondContact O-N 3.4Å; S745-N749 PolarHBondContact O-ND2 3.21Å; S745-N749 PolarHBondContact O-OD1 3.14Å; S745-N749 PolarHBondContact OG-ND2 2.73Å
746N65.6Low62.8Low14 Ų1444.4 Ų44.48%0.07524%0.236CC..Hα-helixtrans-63.3-38.7178.6-68.4-18000112.3Q742 L750 D768 A769Q742-N746 WeakPolarHBondContact O-CB 3.28Å; Q742-N746 PolarHBondContact O-N 3Å; Q742-N746 PolarHBondContact O-ND2 3.15Å; N746-L750 WeakPolarHBondContact O-CB 3.5Å; N746-L750 PolarHBondContact O-N 3.11Å; N746-D768 VanDerWaalsContact ND2-CB 3.31Å; N746-D768 WeakPolarHBondContact ND2-CB 3.29Å; N746-D768 PolarHBondContact ND2-O 2.72Å; N746-A769 HydrophobicContact CB-CB 3.88Å
747T63.3Low62.3Low3 Ų348.4 Ų48.42%0.01826%0.258CS..Hα-helixtrans-65.2-40.8174.6-50.10000111.7W636 I640 A718 I719 L743 C744 S745 F751W636-T747 WeakPolarHBondContact CZ2-OG1 3.24Å; I640-T747 HydrophobicContact CD1-CG2 4.08Å; A718-T747 HydrophobicContact CB-CG2 4.33Å; I719-T747 HydrophobicContact CG1-CG2 3.88Å; L743-T747 PolarHBondContact O-N 3.24Å; L743-T747 VanDerWaalsContact O-N 3.15Å; L743-T747 PolarHBondContact O-OG1 3.08Å; C744-T747 PolarHBondContact O-N 3.31Å; S745-T747 VanDerWaalsContact C-N 3.33Å; S745-T747 PolarHBondContact O-N 2.95Å; T747-F751 PolarHBondContact O-N 3.25Å; T747-F751 VanDerWaalsContact O-N 3.14Å
748F65.9Low61.8Low107 Ų10753.8 Ų53.847%0.46928%0.28SS..Hα-helixtrans-69.6-42.9177.5-174-91.9000112C744 S745 L750 F751 Q752C744-F748 WeakPolarHBondContact O-CB 3.31Å; C744-F748 PolarHBondContact O-N 3.48Å; S745-F748 PolarHBondContact O-N 3.18Å; F748-L750 VanDerWaalsContact C-N 3.3Å; F748-L750 PolarHBondContact O-N 3.48Å; F748-F751 WeakPolarHBondContact O-CB 3.42Å; F748-F751 PolarHBondContact O-N 3.38Å; F748-F751 VanDerWaalsContact O-N 3.14Å; F748-Q752 WeakPolarHBondContact O-CB 3.2Å; F748-Q752 PolarHBondContact O-N 3.44Å
749N65.3Low60.9Low47 Ų4755 Ų5525%0.25128%0.284SS..Hα-helixtrans-61.5-39.1176.5-64.8-13.9000111.2S745 Q752 S753 Y765S745-N749 WeakPolarHBondContact O-CB 3.18Å; S745-N749 PolarHBondContact O-N 3.4Å; S745-N749 PolarHBondContact O-ND2 3.21Å; S745-N749 PolarHBondContact O-OD1 3.14Å; S745-N749 PolarHBondContact OG-ND2 2.73Å; N749-Q752 PolarHBondContact O-N 2.91Å; N749-S753 VanDerWaalsContact O-CB 3.25Å; N749-S753 WeakPolarHBondContact O-CB 3.43Å; N749-S753 PolarHBondContact O-N 3.13Å; N749-Y765 HydrophobicContact CB-CD1 4.19Å; N749-Y765 HydrophobicContact CB-CD2 4.47Å; N749-Y765 HydrophobicContact CB-CE1 4.25Å; N749-Y765 HydrophobicContact CB-CG 4.31Å
750L63.4Low60.3Low7 Ų760.4 Ų60.44%0.03731%0.311CS..Hα-helixtrans-68.1-35.3175.1-175.3140.9000112.5I643 L647 L715 N746 F748 F754 L766I643-L750 HydrophobicContact CG2-CD2 4.45Å; L647-L750 HydrophobicContact CD1-CD1 4.29Å; L647-L750 HydrophobicContact CD1-CD2 4.11Å; L715-L750 HydrophobicContact CD1-CD2 4.18Å; L715-L750 HydrophobicContact CD2-CD2 3.46Å; L715-L750 VanDerWaalsContact CD2-CD2 3.46Å; L715-L750 HydrophobicContact CG-CD2 4.43Å; N746-L750 WeakPolarHBondContact O-CB 3.5Å; N746-L750 PolarHBondContact O-N 3.11Å; F748-L750 VanDerWaalsContact C-N 3.3Å; F748-L750 PolarHBondContact O-N 3.48Å; L750-F754 PolarHBondContact O-N 3.13Å; L750-L766 HydrophobicContact CD1-CB 3.65Å; L750-L766 HydrophobicContact CD1-CD1 3.87Å; L750-L766 HydrophobicContact CD1-CG 4.41Å
751F64.2Low60Low39 Ų3961.4 Ų61.417%0.17132%0.316CS..Hα-helixtrans-67.9-44.8170.9175.7-101.1000112I712 L715 N716 I719 T747 F748 S753 F754 T755I712-F751 HydrophobicContact CG2-CE2 4.4Å; L715-F751 HydrophobicContact CB-CD2 3.8Å; L715-F751 HydrophobicContact CD1-CD2 4.11Å; N716-F751 WeakPolarHBondContact OD1-CE2 3.33Å; I719-F751 HydrophobicContact CD1-CB 3.74Å; I719-F751 HydrophobicContact CD1-CD1 4.04Å; I719-F751 HydrophobicContact CD1-CD2 4.08Å; I719-F751 HydrophobicContact CD1-CG 3.7Å; T747-F751 PolarHBondContact O-N 3.25Å; T747-F751 VanDerWaalsContact O-N 3.14Å; F748-F751 WeakPolarHBondContact O-CB 3.42Å; F748-F751 PolarHBondContact O-N 3.38Å; F748-F751 VanDerWaalsContact O-N 3.14Å; F751-S753 VanDerWaalsContact C-N 3.31Å; F751-S753 PolarHBondContact O-N 3.39Å; F751-F754 CarbonylContact O-C 3.54Å; F751-F754 WeakPolarHBondContact O-CA 3.5Å; F751-F754 WeakPolarHBondContact O-CB 3.3Å; F751-F754 PolarHBondContact O-N 3.31Å; F751-T755 HydrophobicContact CD1-CG2 4.32Å; F751-T755 HydrophobicContact CD2-CG2 4.36Å; F751-T755 HydrophobicContact CE1-CG2 3.92Å; F751-T755 HydrophobicContact CE2-CG2 3.98Å; F751-T755 HydrophobicContact CZ-CG2 3.74Å; F751-T755 PolarHBondContact O-N 3.29Å; F751-T755 PolarHBondContact O-OG1 3.45Å
752Q64.2Low59.9Low84 Ų8461.3 Ų61.339%0.39331%0.31SS..Hα-helixtrans-63.3-37.6177.6-170.6172.9-2.700112F748 N749 F754 T755 N756F748-Q752 WeakPolarHBondContact O-CB 3.2Å; F748-Q752 PolarHBondContact O-N 3.44Å; N749-Q752 PolarHBondContact O-N 2.91Å; Q752-F754 PolarHBondContact O-N 3.49Å; Q752-T755 PolarHBondContact O-N 3.43Å; Q752-T755 PolarHBondContact O-OG1 2.98Å; Q752-N756 WeakPolarHBondContact O-CB 2.95Å; Q752-N756 PolarHBondContact O-N 3.08Å
753S63.6Low59.6Low28 Ų2858 Ų5820%0.19630%0.295CS..Hα-helixtrans-65.1-15.6170.3-1770000113.7N749 F751N749-S753 VanDerWaalsContact O-CB 3.25Å; N749-S753 WeakPolarHBondContact O-CB 3.43Å; N749-S753 PolarHBondContact O-N 3.13Å; F751-S753 VanDerWaalsContact C-N 3.31Å; F751-S753 PolarHBondContact O-N 3.39Å
754F59.3Low59.7Low14 Ų1462.5 Ų62.56%0.06132%0.319CS..Hα-helixtrans-98.5-24.7177-161.3-90.9000112.5L647 Y708 I711 I712 L715 L750 F751 Q752 I761L647-F754 HydrophobicContact CD2-CD2 3.64Å; L647-F754 HydrophobicContact CD2-CE2 3.48Å; L647-F754 VanDerWaalsContact CD2-CE2 3.48Å; Y708-F754 AromaticContact CD1-CE1 3.81Å; Y708-F754 HydrophobicContact CD1-CE1 3.81Å; Y708-F754 HydrophobicContact CD1-CE2 4.1Å; Y708-F754 AromaticContact CD1-CZ 3.31Å; Y708-F754 HydrophobicContact CD1-CZ 3.31Å; Y708-F754 HydrophobicContact CE1-CE2 4.29Å; Y708-F754 AromaticContact CE1-CZ 3.94Å; Y708-F754 HydrophobicContact CE1-CZ 3.94Å; Y708-F754 HydrophobicContact CG-CE1 4.47Å; Y708-F754 HydrophobicContact CG-CZ 4.03Å; I711-F754 HydrophobicContact CB-CE1 4.2Å; I711-F754 HydrophobicContact CB-CE2 4.37Å; I711-F754 HydrophobicContact CB-CZ 3.78Å; I711-F754 HydrophobicContact CD1-CE2 4.12Å; I711-F754 HydrophobicContact CD1-CZ 3.89Å; I711-F754 HydrophobicContact CG1-CZ 4.46Å; I711-F754 HydrophobicContact CG2-CD1 4.33Å; I711-F754 HydrophobicContact CG2-CD2 4.14Å; I711-F754 HydrophobicContact CG2-CE1 3.84Å; I711-F754 HydrophobicContact CG2-CE2 3.64Å; I711-F754 HydrophobicContact CG2-CG 4.47Å; I711-F754 HydrophobicContact CG2-CZ 3.46Å; I711-F754 VanDerWaalsContact CG2-CZ 3.46Å; I712-F754 HydrophobicContact CD1-CD1 4.28Å; I712-F754 HydrophobicContact CD1-CE1 4.05Å; I712-F754 HydrophobicContact CG1-CD1 3.82Å; I712-F754 HydrophobicContact CG1-CE1 3.73Å; L715-F754 HydrophobicContact CD1-CB 4.47Å; L715-F754 HydrophobicContact CD1-CG 4.47Å; L750-F754 PolarHBondContact O-N 3.13Å; F751-F754 CarbonylContact O-C 3.54Å; F751-F754 WeakPolarHBondContact O-CA 3.5Å; F751-F754 WeakPolarHBondContact O-CB 3.3Å; F751-F754 PolarHBondContact O-N 3.31Å; Q752-F754 PolarHBondContact O-N 3.49Å; F754-I761 HydrophobicContact CD2-CD1 4.05Å; F754-I761 HydrophobicContact CD2-CG1 4.05Å; F754-I761 HydrophobicContact CE2-CD1 3.87Å; F754-I761 HydrophobicContact CE2-CG1 4.38Å
755T56.6Low59.7Low61 Ų6165.5 Ų65.537%0.37433%0.329SS..Hα-helixtrans-95.6-30.8-178.556.80000114.4F751 Q752F751-T755 HydrophobicContact CD1-CG2 4.32Å; F751-T755 HydrophobicContact CD2-CG2 4.36Å; F751-T755 HydrophobicContact CE1-CG2 3.92Å; F751-T755 HydrophobicContact CE2-CG2 3.98Å; F751-T755 HydrophobicContact CZ-CG2 3.74Å; F751-T755 PolarHBondContact O-N 3.29Å; F751-T755 PolarHBondContact O-OG1 3.45Å; Q752-T755 PolarHBondContact O-N 3.43Å; Q752-T755 PolarHBondContact O-OG1 2.98Å
756N52.6Low59.5Low106 Ų10663.2 Ų63.257%0.56731%0.312SS*.SBendtrans-92-33-171.9-70.315.1000113.5Q752Q752-N756 WeakPolarHBondContact O-CB 2.95Å; Q752-N756 PolarHBondContact O-N 3.08Å
757D44.2Very low59.4Low104 Ų10464 Ų6456%0.55632%0.317SS*.  trans-129.3123.3-177.1-73.5-70.8000111.1H759D757-H759 PolarHBondContact O-N 2.84Å; D757-H759 VanDerWaalsContact O-N 3.15Å
758H48.4Very low59.6Low144 Ų14467.3 Ų67.367%0.66733%0.334SS*.SBendtrans-8022.1172-72-26.9000113.2
759H46.7Very low59.6Low109 Ų10962.2 Ų62.251%0.50531%0.312SS..SBendtrans-135.8113.6-173.6-59.7-59000111Y654 D757Y654-H759 AromaticContact CZ-ND1 3.86Å; Y654-H759 PolarHBondContact OH-CE1 2.68Å; Y654-H759 PolarHBondContact OH-ND1 3.26Å; D757-H759 PolarHBondContact O-N 2.84Å; D757-H759 VanDerWaalsContact O-N 3.15Å
760Q50.6Low59.5Low171 Ų17160 Ų6080%0.79930%0.3SS*.  trans6095176.7-64.7-169.9-28.100117N762Q760-N762 PolarHBondContact O-N 3.02Å
761I55.6Low59.6Low22 Ų2263.6 Ų63.611%0.11332%0.316CS..  trans-65117.5165.8-64152.6000109.6L647 F754 M763L647-I761 HydrophobicContact CB-CG2 4.44Å; L647-I761 HydrophobicContact CD1-CG2 4.22Å; L647-I761 HydrophobicContact CD2-CD1 3.82Å; L647-I761 HydrophobicContact CD2-CG1 4.41Å; L647-I761 HydrophobicContact CD2-CG2 4.07Å; L647-I761 HydrophobicContact CG-CG2 4.47Å; F754-I761 HydrophobicContact CD2-CD1 4.05Å; F754-I761 HydrophobicContact CD2-CG1 4.05Å; F754-I761 HydrophobicContact CE2-CD1 3.87Å; F754-I761 HydrophobicContact CE2-CG1 4.38Å; I761-M763 HydrophobicContact CG2-SD 4.4Å; I761-M763 PolarHBondContact O-N 3.13Å
762N61.9Low59.7Low61 Ų6162 Ų6233%0.32631%0.31SS..  trans-79.4102.5175.4-174.5-4.3000111.4Q760 N764 Y765Q760-N762 PolarHBondContact O-N 3.02Å; N762-N764 PolarHBondContact O-N 3.18Å; N762-N764 VanDerWaalsContact OD1-CB 3.3Å; N762-N764 WeakPolarHBondContact OD1-CB 3.07Å; N762-N764 PolarHBondContact OD1-N 2.97Å; N762-N764 VanDerWaalsContact OD1-N 3.08Å; N762-Y765 HydrophobicContact CB-CD2 4.02Å; N762-Y765 HydrophobicContact CB-CE2 4Å
763M61.9Low59.6Low24 Ų2458 Ų5812%0.11829%0.292CS..THydrogen-bonded Turntrans-63.3-18.3-179.3-68.1-64.7-65.700114.2Y570 L647 I648 I761 Y765 L766 L767Y570-M763 HydrophobicContact CD2-CG 4.19Å; Y570-M763 HydrophobicContact CE2-CG 3.93Å; L647-M763 HydrophobicContact CB-SD 4.15Å; I648-M763 HydrophobicContact CD1-CE 3.96Å; I648-M763 HydrophobicContact CG1-CE 3.69Å; I648-M763 HydrophobicContact CG1-SD 4.43Å; I761-M763 HydrophobicContact CG2-SD 4.4Å; I761-M763 PolarHBondContact O-N 3.13Å; M763-Y765 VanDerWaalsContact C-N 3.33Å; M763-Y765 PolarHBondContact O-N 3.4Å; M763-L766 HydrophobicContact CE-CD2 4.09Å; M763-L766 VanDerWaalsContact O-CB 3.29Å; M763-L766 WeakPolarHBondContact O-CB 3.32Å; M763-L766 PolarHBondContact O-N 3.34Å; M763-L766 VanDerWaalsContact O-N 3.13Å; M763-L767 PolarHBondContact O-N 3.34Å
764N66.1Low59.6Low96 Ų9657.8 Ų57.851%0.51329%0.288SS..Hα-helixtrans-62.6-39.2-176.9-63.1-8.2000111.8N762 L766 L767 D768N762-N764 PolarHBondContact O-N 3.18Å; N762-N764 VanDerWaalsContact OD1-CB 3.3Å; N762-N764 WeakPolarHBondContact OD1-CB 3.07Å; N762-N764 PolarHBondContact OD1-N 2.97Å; N762-N764 VanDerWaalsContact OD1-N 3.08Å; N764-L766 PolarHBondContact O-N 2.86Å; N764-L767 WeakPolarHBondContact O-CA 3.28Å; N764-L767 WeakPolarHBondContact O-CB 3.48Å; N764-L767 PolarHBondContact O-N 3.49Å; N764-D768 VanDerWaalsContact O-CG 3.3Å; N764-D768 PolarHBondContact O-N 3Å
765Y65.6Low59.8Low79 Ų7959 Ų5931%0.3130%0.298SS..Hα-helixtrans-60.5-28.8177.4-61-53.8000113.3N749 N762 M763 A769N749-Y765 HydrophobicContact CB-CD1 4.19Å; N749-Y765 HydrophobicContact CB-CD2 4.47Å; N749-Y765 HydrophobicContact CB-CE1 4.25Å; N749-Y765 HydrophobicContact CB-CG 4.31Å; N762-Y765 HydrophobicContact CB-CD2 4.02Å; N762-Y765 HydrophobicContact CB-CE2 4Å; M763-Y765 VanDerWaalsContact C-N 3.33Å; M763-Y765 PolarHBondContact O-N 3.4Å; Y765-A769 WeakPolarHBondContact O-CB 3.42Å; Y765-A769 PolarHBondContact O-N 3.31Å; Y765-A769 VanDerWaalsContact O-N 3.16Å
766L64.9Low60.1Low7 Ų756.3 Ų56.34%0.03728%0.282CS..Hα-helixtrans-68.3-44173-165.695000110.8I640 I643 L647 L750 M763 N764 A769 L770I640-L766 HydrophobicContact CG2-CD1 3.9Å; I640-L766 HydrophobicContact CG2-CG 4.19Å; I643-L766 HydrophobicContact CG2-CD1 4.4Å; L647-L766 HydrophobicContact CD1-CD1 4.35Å; L750-L766 HydrophobicContact CD1-CB 3.65Å; L750-L766 HydrophobicContact CD1-CD1 3.87Å; L750-L766 HydrophobicContact CD1-CG 4.41Å; M763-L766 HydrophobicContact CE-CD2 4.09Å; M763-L766 VanDerWaalsContact O-CB 3.29Å; M763-L766 WeakPolarHBondContact O-CB 3.32Å; M763-L766 PolarHBondContact O-N 3.34Å; M763-L766 VanDerWaalsContact O-N 3.13Å; N764-L766 PolarHBondContact O-N 2.86Å; L766-A769 PolarHBondContact O-N 2.86Å; L766-L770 WeakPolarHBondContact O-CG 3.11Å; L766-L770 PolarHBondContact O-N 2.84Å
767L63.6Low60.3Low32 Ų3251.7 Ų51.717%0.16826%0.257CS..Hα-helixtrans-68.4-43.1-178.8-156.381.8000111.1C563 L567 M763 N764 A769 L770 H771C563-L767 HydrophobicContact CB-CD1 4Å; L567-L767 HydrophobicContact CD1-CD1 4.2Å; L567-L767 HydrophobicContact CD1-CD2 4.1Å; L567-L767 HydrophobicContact CD2-CD1 4.27Å; L567-L767 HydrophobicContact CD2-CD2 4.22Å; L567-L767 HydrophobicContact CG-CD1 4.04Å; L567-L767 HydrophobicContact CG-CD2 4.46Å; M763-L767 PolarHBondContact O-N 3.34Å; N764-L767 WeakPolarHBondContact O-CA 3.28Å; N764-L767 WeakPolarHBondContact O-CB 3.48Å; N764-L767 PolarHBondContact O-N 3.49Å; L767-A769 VanDerWaalsContact C-N 3.33Å; L767-A769 PolarHBondContact O-N 2.84Å; L767-L770 PolarHBondContact O-N 3.38Å; L767-H771 PolarHBondContact O-CD2 2.95Å; L767-H771 PolarHBondContact O-N 3.28Å
768D67.1Low60.9Low71 Ų7150.1 Ų50.138%0.3825%0.254SS..Hα-helixtrans-65.8-34.4177.8-63.5-34.9000111.9N746 N764 S772N746-D768 VanDerWaalsContact ND2-CB 3.31Å; N746-D768 WeakPolarHBondContact ND2-CB 3.29Å; N746-D768 PolarHBondContact ND2-O 2.72Å; N764-D768 VanDerWaalsContact O-CG 3.3Å; N764-D768 PolarHBondContact O-N 3Å; D768-S772 WeakPolarHBondContact O-CB 3.34Å; D768-S772 PolarHBondContact O-N 3.01Å; D768-S772 PolarHBondContact O-OG 3.39Å
769A65.4Low61.2Low1 Ų146.1 Ų46.11%0.00824%0.237CC..Hα-helixtrans-65.3-40.5172.400000112.1W636 N746 Y765 L766 L767 S772W636-A769 HydrophobicContact CH2-CB 4.08Å; N746-A769 HydrophobicContact CB-CB 3.88Å; Y765-A769 WeakPolarHBondContact O-CB 3.42Å; Y765-A769 PolarHBondContact O-N 3.31Å; Y765-A769 VanDerWaalsContact O-N 3.16Å; L766-A769 PolarHBondContact O-N 2.86Å; L767-A769 VanDerWaalsContact C-N 3.33Å; L767-A769 PolarHBondContact O-N 2.84Å; A769-S772 PolarHBondContact O-N 2.91Å
770L64.5Low61.2Low1 Ų143.9 Ų43.91%0.00523%0.229CC..Hα-helixtrans-71-40.7175.9-69.6169000112.3I559 F566 L637 I640 L766 L767 S772 I773 I774I559-L770 HydrophobicContact CG2-CB 4.36Å; I559-L770 HydrophobicContact CG2-CD2 4.44Å; F566-L770 HydrophobicContact CD2-CD1 4.42Å; F566-L770 HydrophobicContact CE2-CD1 4.44Å; L637-L770 HydrophobicContact CD2-CD2 3.73Å; L637-L770 HydrophobicContact CG-CD2 4.23Å; I640-L770 HydrophobicContact CG2-CD1 4.49Å; I640-L770 HydrophobicContact CG2-CD2 3.99Å; I640-L770 HydrophobicContact CG2-CG 4.11Å; L766-L770 WeakPolarHBondContact O-CG 3.11Å; L766-L770 PolarHBondContact O-N 2.84Å; L767-L770 PolarHBondContact O-N 3.38Å; L770-S772 VanDerWaalsContact C-N 3.27Å; L770-S772 PolarHBondContact O-N 2.71Å; L770-I773 PolarHBondContact O-N 3.27Å; L770-I774 PolarHBondContact O-N 3.03Å
771H65.9Low60.7Low81 Ų8141.5 Ų41.538%0.37522%0.221SC..Hα-helixtrans-62.9-32.5174-84.1-63.2000112.8L767 I773 I774 S775L767-H771 PolarHBondContact O-CD2 2.95Å; L767-H771 PolarHBondContact O-N 3.28Å; H771-I773 VanDerWaalsContact C-N 3.28Å; H771-I773 PolarHBondContact O-N 3.33Å; H771-I774 WeakPolarHBondContact O-CB 3.47Å; H771-I774 PolarHBondContact O-N 2.78Å; H771-I774 VanDerWaalsContact O-N 3.08Å; H771-S775 PolarHBondContact O-N 2.71Å; H771-S775 PolarHBondContact O-OG 2.9Å
772S65.7Low59.8Low7 Ų745.9 Ų45.95%0.04924%0.241CC..Hα-helixtrans-60.2-34.7174.3-59.40000112.7D768 A769 L770 L776D768-S772 WeakPolarHBondContact O-CB 3.34Å; D768-S772 PolarHBondContact O-N 3.01Å; D768-S772 PolarHBondContact O-OG 3.39Å; A769-S772 PolarHBondContact O-N 2.91Å; L770-S772 VanDerWaalsContact C-N 3.27Å; L770-S772 PolarHBondContact O-N 2.71Å; S772-L776 PolarHBondContact O-N 2.77Å
773I62.6Low58.5Low0 Ų048.3 Ų48.30%026%0.26CS..Hα-helixtrans-70-40.6172-65.5-170.2000111.6I559 L633 W636 L637 L743 L770 H771 S775 L776 L777I559-I773 HydrophobicContact CD1-CB 4.4Å; I559-I773 HydrophobicContact CD1-CG2 3.58Å; L633-I773 HydrophobicContact CD1-CD1 3.59Å; L633-I773 HydrophobicContact CD1-CG1 4.12Å; L633-I773 HydrophobicContact CD1-CG2 4.46Å; L633-I773 HydrophobicContact CD2-CG2 4.47Å; L633-I773 HydrophobicContact CG-CD1 4.28Å; W636-I773 HydrophobicContact CE3-CD1 3.41Å; W636-I773 VanDerWaalsContact CE3-CD1 3.41Å; W636-I773 HydrophobicContact CH2-CD1 4.16Å; W636-I773 HydrophobicContact CZ3-CD1 3.23Å; W636-I773 HydrophobicContact CZ3-CG1 3.97Å; L637-I773 HydrophobicContact CD1-CD1 3.7Å; L637-I773 HydrophobicContact CD1-CG2 4.12Å; L637-I773 HydrophobicContact CG-CD1 4.1Å; L743-I773 HydrophobicContact CD1-CD1 3.98Å; L743-I773 HydrophobicContact CD1-CG1 3.46Å; L743-I773 VanDerWaalsContact CD1-CG1 3.46Å; L770-I773 PolarHBondContact O-N 3.27Å; H771-I773 VanDerWaalsContact C-N 3.28Å; H771-I773 PolarHBondContact O-N 3.33Å; I773-S775 VanDerWaalsContact C-N 3.26Å; I773-S775 PolarHBondContact O-N 2.82Å; I773-L776 WeakPolarHBondContact O-CB 3.35Å; I773-L776 PolarHBondContact O-N 3.35Å; I773-L776 VanDerWaalsContact O-N 3.11Å; I773-L777 HydrophobicContact CG2-CD1 3.62Å; I773-L777 HydrophobicContact CG2-CG 3.91Å; I773-L777 WeakPolarHBondContact O-CG 3.36Å; I773-L777 PolarHBondContact O-N 2.79Å
774I61.7Low57.2Low23 Ų2352.2 Ų52.212%0.11828%0.279CS..Hα-helixtrans-59.6-41178.2-66.5156.7000110.1I559 C560 L770 H771 S778I559-I774 HydrophobicContact CB-CD1 4.19Å; I559-I774 HydrophobicContact CB-CG1 3.95Å; I559-I774 HydrophobicContact CG2-CD1 3.69Å; I559-I774 HydrophobicContact CG2-CG1 3.74Å; C560-I774 HydrophobicContact CB-CD1 4.5Å; C560-I774 WeakPolarHBondContact SG-CD1 3.31Å; L770-I774 PolarHBondContact O-N 3.03Å; H771-I774 WeakPolarHBondContact O-CB 3.47Å; H771-I774 PolarHBondContact O-N 2.78Å; H771-I774 VanDerWaalsContact O-N 3.08Å; I774-S778 WeakPolarHBondContact O-CB 3.23Å; I774-S778 PolarHBondContact O-N 2.97Å; I774-S778 PolarHBondContact O-OG 2.83Å
775S63.9Low55.5Low39 Ų3953.5 Ų53.527%0.27329%0.286SS..Hα-helixtrans-69.2-32.9174.1-59.90000114Y739 H771 I773 S778 N779Y739-S775 VanDerWaalsContact CE1-CB 3.41Å; H771-S775 PolarHBondContact O-N 2.71Å; H771-S775 PolarHBondContact O-OG 2.9Å; I773-S775 VanDerWaalsContact C-N 3.26Å; I773-S775 PolarHBondContact O-N 2.82Å; S775-S778 PolarHBondContact O-OG 3.2Å; S775-N779 PolarHBondContact O-ND2 3.16Å
776L63.3Low53.8Low5 Ų556.7 Ų56.73%0.02631%0.308CS..Hα-helixtrans-66-49173.6-171.475.3000111.5F729 E736 V740 S772 I773 S778F729-L776 HydrophobicContact CD1-CD1 4.47Å; F729-L776 HydrophobicContact CE1-CD2 4.37Å; F729-L776 HydrophobicContact CZ-CD2 4.43Å; E736-L776 HydrophobicContact CB-CD1 3.99Å; E736-L776 HydrophobicContact CG-CD1 3.99Å; V740-L776 HydrophobicContact CG2-CD1 3.84Å; V740-L776 HydrophobicContact CG2-CD2 3.98Å; S772-L776 PolarHBondContact O-N 2.77Å; I773-L776 WeakPolarHBondContact O-CB 3.35Å; I773-L776 PolarHBondContact O-N 3.35Å; I773-L776 VanDerWaalsContact O-N 3.11Å; L776-S778 PolarHBondContact O-N 2.86Å
777L56.6Low52.6Low9 Ų962.2 Ų62.25%0.04734%0.336CS..Hα-helixtrans-74.9-21.8-173.8-66.5179.3000114.1Y552 I555 I559 L633 I773Y552-L777 HydrophobicContact CD1-CD2 4.07Å; I555-L777 HydrophobicContact CB-CD1 4.07Å; I555-L777 HydrophobicContact CG2-CD1 3.45Å; I555-L777 VanDerWaalsContact CG2-CD1 3.45Å; I559-L777 HydrophobicContact CD1-CD1 3.92Å; L633-L777 HydrophobicContact CD2-CD2 3.92Å; I773-L777 HydrophobicContact CG2-CD1 3.62Å; I773-L777 HydrophobicContact CG2-CG 3.91Å; I773-L777 WeakPolarHBondContact O-CG 3.36Å; I773-L777 PolarHBondContact O-N 2.79Å
778S57.1Low50.8Low71 Ų7167.7 Ų67.750%0.49737%0.371SS..Hα-helixtrans-88-22.8-179.449.20000114.4I774 S775 L776I774-S778 WeakPolarHBondContact O-CB 3.23Å; I774-S778 PolarHBondContact O-N 2.97Å; I774-S778 PolarHBondContact O-OG 2.83Å; S775-S778 PolarHBondContact O-OG 3.2Å; L776-S778 PolarHBondContact O-N 2.86Å
779N54Low49Very low60 Ų6069 Ų6932%0.32139%0.385SS..Hα-helixtrans-102.8-2.2-171.5-71.3-47.7000115.4S775 N781 Q782S775-N779 PolarHBondContact O-ND2 3.16Å; N779-N781 PolarHBondContact O-N 2.73Å; N779-Q782 PolarHBondContact O-N 3.46Å
780L47.5Very low47.1Very low61 Ų6176.8 Ų76.832%0.31942%0.424SS..THydrogen-bonded Turntrans-55.4-21.1-174.7-87.7158.9000115.9Y552 E736Y552-L780 HydrophobicContact CE1-CD1 4.48Å; E736-L780 HydrophobicContact CG-CD2 4.42Å
781N39.9Very low45.3Very low121 Ų12182.6 Ų82.665%0.64746%0.461SS*.THydrogen-bonded Turntrans-123.418.5-172.3-74.82.7000114.9N779N779-N781 PolarHBondContact O-N 2.73Å
782Q36Very low43.4Very low114 Ų11485.3 Ų85.353%0.53348%0.478SS..  trans-85.9124.9175.2-68-159.515.100112.2N779N779-Q782 PolarHBondContact O-N 3.46Å
783P35.5Very low41.5Very low112 Ų11294.1 Ų94.173%0.72752%0.518SS*.  trans-71138.6173.829.3-33.7000111.1N785P783-N785 PolarHBondContact O-N 2.77Å
784E34.8Very low39.6Very low107 Ų107101.9 Ų101.950%0.555%0.553SS.*THydrogen-bonded Turntrans-590.1-162.9-58.8-166.4149.100118.4R801 S802E784-R801 VanDerWaalsContact OE2-CA 3.29Å; E784-R801 WeakPolarHBondContact OE2-CA 3.38Å; E784-R801 PolarHBondContact OE2-N 2.81Å; E784-S802 WeakPolarHBondContact OE2-CB 3.37Å; E784-S802 PolarHBondContact OE2-N 2.98Å
785N31Very low37.8Very low123 Ų123111.7 Ų111.766%0.65859%0.59SS**THydrogen-bonded Turntrans-93.1-5.9-159.4-71.5-7.2000116P783 S802P783-N785 PolarHBondContact O-N 2.77Å; N785-S802 PolarHBondContact OD1-OG 3.33Å
786N29.6Very low35.8Very low145 Ų145114.2 Ų114.278%0.77561%0.608SS**  trans-142.2135.8177.8-83.2-49000113
787I38.1Very low33.9Very low124 Ų124116.9 Ų116.964%0.63662%0.622SS**  trans141.2109.8155.2-75.9158.9000109.4
788T27.4Very low32.3Very low147 Ų147121.5 Ų121.590%0.90265%0.651SS**  trans-127.460.4-179.651.90000111.5
789S27.9Very low30.8Very low97 Ų97129.1 Ų129.168%0.67867%0.669SS**  trans-163.489173.258.40000113.5
790M26.4Very low29.4Very low166 Ų166135.1 Ų135.182%0.81869%0.693SS**SBendtrans-146.9146.3156.1-90.6-61.8165.400108.4I792M790-I792 PolarHBondContact O-N 2.82Å; M790-I792 VanDerWaalsContact O-N 3.08Å
791P26.6Very low28.2Very low122 Ų122143.4 Ų143.479%0.79272%0.719SS**  trans-73.8103.2-175.829.3-33.1000111H793P791-H793 PolarHBondContact O-N 3.16Å
792I26.2Very low27.4Very low139 Ų139140.1 Ų140.171%0.71371%0.706SS**  trans-76.2103.6175.7-61.9167.1000108.6M790 H794M790-I792 PolarHBondContact O-N 2.82Å; M790-I792 VanDerWaalsContact O-N 3.08Å; I792-H794 PolarHBondContact O-N 3.1Å
793H26Very low26.7Very low192 Ų192144.5 Ų144.589%0.88972%0.724SS**  trans-63.8127.1153.6-106.3-85.7000108P791 Y795P791-H793 PolarHBondContact O-N 3.16Å; H793-Y795 PolarHBondContact O-N 2.88Å
794H23.2Very low26.3Very low163 Ų163144.5 Ų144.576%0.75572%0.724SS**SBendtrans-62.1109.1-166.4-90.6-102.7000113.4I792I792-H794 PolarHBondContact O-N 3.1Å
795Y22.4Very low25.7Very low228 Ų228146.7 Ų146.789%0.89474%0.737SS**  trans-131.5118.1130.5-102.9-81.3000109.9H793H793-Y795 PolarHBondContact O-N 2.88Å
796S22Very low25.2Very low92 Ų92149.2 Ų149.264%0.64375%0.745SS**  trans-90123.9-170.551.70000112.2
797N24.3Very low25Very low61 Ų61151.4 Ų151.433%0.32675%0.748SS.*  -166.7137.2123.9-101.9-30.5000115.4K734K734-N797 PolarHBondContact NZ-O 2.92Å
798T23.5Very low24.3Very low107 Ų107153 Ų15366%0.65676%0.758SS**  trans-57.9170.6167.1540000113.4
799R23.7Very low24.3Very low230 Ų230149.3 Ų149.387%0.86873%0.731SS**  cis-170.9149.7-11.5-111.2176.1176.5177.1-0.4106.1
800K25.5Very low24.1Very low187 Ų187153 Ų15381%0.81374%0.738SS**  trans173.4146.7147.4-95158.4-177.8-169.70106.4
801R22.9Very low24.2Very low234 Ų234152.5 Ų152.588%0.88373%0.733SS**  cis93.5109.226.2-90.8-163.7174.1-177.9-1.6112.4E784E784-R801 VanDerWaalsContact OE2-CA 3.29Å; E784-R801 WeakPolarHBondContact OE2-CA 3.38Å; E784-R801 PolarHBondContact OE2-N 2.81Å
802S22.9Very low24.5Very low52 Ų52152.1 Ų152.136%0.36472%0.719SS.*  trans-96.9158.9-169.548.20000113.9E784 N785E784-S802 WeakPolarHBondContact OE2-CB 3.37Å; E784-S802 PolarHBondContact OE2-N 2.98Å; N785-S802 PolarHBondContact OD1-OG 3.33Å
803F21.4Very low24.9Very low206 Ų206149.8 Ų149.890%0.90471%0.709SS**  trans-148143.9152.9-84.8-72.7000108.6
804P25.7Very low25.3Very low112 Ų112147 Ų14773%0.72770%0.7SS**  trans-94.7166-176.137.8-35.4000113.3
805I24Very low26Very low153 Ų153145.7 Ų145.779%0.78570%0.699SS**  trans-133.7126.9160.1-60.8178.4000106.8F807I805-F807 HydrophobicContact CG2-CD2 3.98Å; I805-F807 HydrophobicContact CG2-CE2 4.04Å
806E20.6Very low26.7Very low176 Ų176138.7 Ų138.782%0.82267%0.671SS**  trans-98.9142.5175.8-64.7177.8137.300110.4
807F25.1Very low27.4Very low191 Ų191137.7 Ų137.784%0.83866%0.661SS**  trans-144.8136.9164.8-94.1-82.8000109.5I805I805-F807 HydrophobicContact CG2-CD2 3.98Å; I805-F807 HydrophobicContact CG2-CE2 4.04Å
808N22.4Very low28.3Very low157 Ų157140.4 Ų140.484%0.8467%0.674SS**  trans-81.8146-170.5-67.4-28000113.3
809M27.2Very low29Very low70 Ų70138.6 Ų138.635%0.34566%0.66SS.*  trans-142.9116.6169.6-68.8-67-76.200110.3S544 I545S544-M809 WeakPolarHBondContact OG-CE 3.28Å; I545-M809 HydrophobicContact CD1-CB 4.09Å; I545-M809 HydrophobicContact CG1-CB 4.26Å
810E24.2Very low29.9Very low176 Ų176129 Ų12982%0.82263%0.626SS**  trans-151.7129.3170.3-76.2-165.9140.900110.1N541 G542N541-E810 CarbonylContact O-C 3.56Å; G542-E810 CarbonylContact O-C 3.59Å; G542-E810 WeakPolarHBondContact O-CA 3.4Å
811Q29.1Very low30.6Very low154 Ų154124.8 Ų124.872%0.7261%0.612SS**SBendtrans126.346.9168.7-164.1167.990.800116.9N541 G542N541-Q811 CarbonylContact C-O 3.53Å; N541-Q811 PolarHBondContact N-O 2.71Å; N541-Q811 CarbonylContact O-C 3.6Å; N541-Q811 VanDerWaalsContact O-C 3.31Å; N541-Q811 VanDerWaalsContact O-CA 3.23Å; N541-Q811 WeakPolarHBondContact O-CA 3.47Å; N541-Q811 VanDerWaalsContact O-CB 3.29Å; N541-Q811 WeakPolarHBondContact O-CB 3.21Å; N541-Q811 PolarHBondContact O-N 3.05Å; N541-Q811 VanDerWaalsContact O-N 3.15Å; G542-Q811 PolarHBondContact N-O 3.02Å; G542-Q811 CarbonylContact O-C 3.56Å; G542-Q811 PolarHBondContact O-N 2.66Å
812F32.4Very low31.5Very low114 Ų114120.5 Ų120.550%0.560%0.597SS.*  trans-143.2151.5144.9-64.4-48.4000105.9G542 S543G542-F812 PolarHBondContact O-N 3.27Å; S543-F812 VanDerWaalsContact CA-O 3.25Å; S543-F812 WeakPolarHBondContact CA-O 3.46Å; S543-F812 VanDerWaalsContact CB-O 3.24Å; S543-F812 WeakPolarHBondContact CB-O 3.46Å
813N34.9Very low32.2Very low91 Ų91119.6 Ų119.649%0.48759%0.588SS.*  trans-160.9-23.8173.4-126.9-7.4000118.4V817N813-V817 VanDerWaalsContact O-CG2 3.27Å; N813-V817 WeakPolarHBondContact O-CG2 3.3Å
814D34.1Very low33.1Very low132 Ų132113.5 Ų113.571%0.70656%0.564SS**Hα-helixtrans-89-49.5-160.8-58.2-51.9000115.4Y816 V817 I818D814-Y816 VanDerWaalsContact C-N 3.34Å; D814-Y816 PolarHBondContact O-N 2.95Å; D814-V817 PolarHBondContact O-N 2.93Å; D814-I818 PolarHBondContact O-N 3.03Å
815D37.3Very low33.7Very low136 Ų136111.1 Ų111.173%0.72755%0.545SS*.Hα-helixtrans-63.7-36.6-175.9-70.7-37.8000113.4I818 L819D815-I818 PolarHBondContact O-N 3.41Å; D815-L819 PolarHBondContact O-N 3.32Å
816Y36.9Very low34.2Very low82 Ų82108 Ų10832%0.32253%0.53SS..Hα-helixtrans-69.7-31.3179.4-81.2-82.6000112.7E547 L624 D814 L819 I820E547-Y816 HydrophobicContact CG-CD1 4.11Å; E547-Y816 HydrophobicContact CG-CG 4.18Å; E547-Y816 WeakPolarHBondContact OE1-CD2 3.3Å; E547-Y816 VanDerWaalsContact OE1-CG 3.24Å; L624-Y816 HydrophobicContact CD2-CE1 4.25Å; D814-Y816 VanDerWaalsContact C-N 3.34Å; D814-Y816 PolarHBondContact O-N 2.95Å; Y816-L819 PolarHBondContact O-N 3.17Å; Y816-I820 VanDerWaalsContact O-CB 3.24Å; Y816-I820 WeakPolarHBondContact O-CB 3.2Å; Y816-I820 WeakPolarHBondContact O-CD1 3.49Å; Y816-I820 WeakPolarHBondContact O-CG1 3.36Å; Y816-I820 PolarHBondContact O-N 2.92Å
817V38Very low35Very low70 Ų70101.1 Ų101.142%0.42450%0.501SS..Hα-helixtrans-66.5-44.9174.5172.90000109.8N813 D814 L819 I820 D821N813-V817 VanDerWaalsContact O-CG2 3.27Å; N813-V817 WeakPolarHBondContact O-CG2 3.3Å; D814-V817 PolarHBondContact O-N 2.93Å; V817-L819 VanDerWaalsContact C-N 3.34Å; V817-L819 PolarHBondContact O-N 3.08Å; V817-I820 PolarHBondContact O-N 3.02Å; V817-D821 WeakPolarHBondContact O-CB 3.49Å; V817-D821 PolarHBondContact O-N 3.24Å
818I41.6Very low35.5Very low119 Ų11997.6 Ų97.661%0.6149%0.491SS*.Hα-helixtrans-60.8-43.2176.6-60.8172.4000111D814 D815 Y822D814-I818 PolarHBondContact O-N 3.03Å; D815-I818 PolarHBondContact O-N 3.41Å; I818-Y822 WeakPolarHBondContact O-CB 3.37Å; I818-Y822 PolarHBondContact O-N 3.35Å
819L39.7Very low36.1Very low69 Ų6997.1 Ų97.136%0.36148%0.477SS..Hα-helixtrans-68.6-37.6177.7-170.368.9000112.6L624 D815 Y816 V817 L823L624-L819 HydrophobicContact CD2-CD2 4.3Å; D815-L819 PolarHBondContact O-N 3.32Å; Y816-L819 PolarHBondContact O-N 3.17Å; V817-L819 VanDerWaalsContact C-N 3.34Å; V817-L819 PolarHBondContact O-N 3.08Å; L819-L823 HydrophobicContact CG-CD1 4.18Å; L819-L823 WeakPolarHBondContact O-CB 3.49Å; L819-L823 VanDerWaalsContact O-CG 3.24Å; L819-L823 WeakPolarHBondContact O-CG 3.46Å; L819-L823 PolarHBondContact O-N 2.88Å
820I41Very low36.6Very low28 Ų2896.1 Ų96.114%0.14447%0.473CS..Hα-helixtrans-71.4-42.6178.4-73.1167.7000110.8Y816 V817 L823 I824Y816-I820 VanDerWaalsContact O-CB 3.24Å; Y816-I820 WeakPolarHBondContact O-CB 3.2Å; Y816-I820 WeakPolarHBondContact O-CD1 3.49Å; Y816-I820 WeakPolarHBondContact O-CG1 3.36Å; Y816-I820 PolarHBondContact O-N 2.92Å; V817-I820 PolarHBondContact O-N 3.02Å; I820-L823 PolarHBondContact O-N 3.21Å; I820-I824 HydrophobicContact CG2-CD1 3.68Å; I820-I824 HydrophobicContact CG2-CG1 4.32Å; I820-I824 WeakPolarHBondContact O-CB 3.21Å; I820-I824 VanDerWaalsContact O-CG1 3.26Å; I820-I824 WeakPolarHBondContact O-CG1 3.32Å; I820-I824 PolarHBondContact O-N 3.25Å
821D41.8Very low37.3Very low98 Ų9891.4 Ų91.452%0.52445%0.452SS..Hα-helixtrans-65.3-39173.7-82-17.5000111.3V817 L823 I824 D825V817-D821 WeakPolarHBondContact O-CB 3.49Å; V817-D821 PolarHBondContact O-N 3.24Å; D821-L823 PolarHBondContact O-N 3.31Å; D821-I824 PolarHBondContact O-N 3.24Å; D821-D825 VanDerWaalsContact O-CB 3.28Å; D821-D825 WeakPolarHBondContact O-CB 3.42Å; D821-D825 PolarHBondContact O-N 3.35Å
822Y40.3Very low37.9Very low145 Ų14585.8 Ų85.857%0.56943%0.429SS*.Hα-helixtrans-60.3-42.3171.6-178-94.6000112.1I818 L826I818-Y822 WeakPolarHBondContact O-CB 3.37Å; I818-Y822 PolarHBondContact O-N 3.35Å; Y822-L826 HydrophobicContact CE1-CD1 4.2Å; Y822-L826 WeakPolarHBondContact O-CB 3.49Å; Y822-L826 PolarHBondContact O-N 2.88Å
823L38.4Very low38.3Very low33 Ų3381.2 Ų81.217%0.17341%0.411CS..Hα-helixtrans-73.1-33.1177.3-74168.2000113.2L624 L819 I820 D821 L826 S827L624-L823 HydrophobicContact CD1-CD1 3.92Å; L819-L823 HydrophobicContact CG-CD1 4.18Å; L819-L823 WeakPolarHBondContact O-CB 3.49Å; L819-L823 VanDerWaalsContact O-CG 3.24Å; L819-L823 WeakPolarHBondContact O-CG 3.46Å; L819-L823 PolarHBondContact O-N 2.88Å; I820-L823 PolarHBondContact O-N 3.21Å; D821-L823 PolarHBondContact O-N 3.31Å; L823-L826 PolarHBondContact O-N 2.82Å; L823-S827 WeakPolarHBondContact O-CB 3.27Å; L823-S827 PolarHBondContact O-N 2.87Å
824I39.8Very low38.5Very low78 Ų7878.2 Ų78.240%0.439%0.393SS..Hα-helixtrans-67.7-46.3172.9-73.8169.4000109.4I820 D821 L826 S827 N828I820-I824 HydrophobicContact CG2-CD1 3.68Å; I820-I824 HydrophobicContact CG2-CG1 4.32Å; I820-I824 WeakPolarHBondContact O-CB 3.21Å; I820-I824 VanDerWaalsContact O-CG1 3.26Å; I820-I824 WeakPolarHBondContact O-CG1 3.32Å; I820-I824 PolarHBondContact O-N 3.25Å; D821-I824 PolarHBondContact O-N 3.24Å; I824-L826 PolarHBondContact O-N 3.48Å; I824-S827 PolarHBondContact O-N 3.48Å; I824-S827 VanDerWaalsContact O-N 3.1Å; I824-S827 PolarHBondContact O-OG 3.07Å; I824-N828 PolarHBondContact O-N 2.83Å; I824-N828 PolarHBondContact O-ND2 3.45Å; I824-N828 VanDerWaalsContact O-ND2 3.1Å
825D38.3Very low38.7Very low61 Ų6172 Ų7233%0.32636%0.36SS..Hα-helixtrans-58.9-45.9173.1-167.249.2000110.2D821 S827 N828 R829D821-D825 VanDerWaalsContact O-CB 3.28Å; D821-D825 WeakPolarHBondContact O-CB 3.42Å; D821-D825 PolarHBondContact O-N 3.35Å; D825-S827 VanDerWaalsContact C-N 3.3Å; D825-S827 PolarHBondContact O-N 3.29Å; D825-N828 CarbonylContact O-C 3.3Å; D825-N828 PolarHBondContact O-N 3.35Å; D825-N828 VanDerWaalsContact O-N 3.12Å; D825-R829 VanDerWaalsContact CG-NH1 3.28Å; D825-R829 WeakPolarHBondContact O-CA 3.34Å; D825-R829 WeakPolarHBondContact O-CB 3.43Å; D825-R829 PolarHBondContact O-N 3.09Å; D825-R829 VanDerWaalsContact OD1-CD 3.24Å; D825-R829 WeakPolarHBondContact OD1-CD 3.44Å; D825-R829 IonicContact OD1-CZ 3.62Å; D825-R829 VanDerWaalsContact OD1-CZ 3.29Å; D825-R829 IonicContact OD1-NE 3.54Å; D825-R829 PolarHBondContact OD1-NE 3.01Å; D825-R829 IonicContact OD1-NH1 3.93Å; D825-R829 PolarHBondContact OD1-NH1 3.5Å; D825-R829 VanDerWaalsContact OD1-NH1 3.12Å; D825-R829 WeakPolarHBondContact OD2-CD 3.28Å; D825-R829 IonicContact OD2-CZ 3.61Å; D825-R829 IonicContact OD2-NE 3.36Å; D825-R829 IonicContact OD2-NH1 2.75Å; D825-R829 PolarHBondContact OD2-NH1 3.25Å
826L36.1Very low38.8Very low89 Ų8967.4 Ų67.447%0.46634%0.337SS..Hα-helixtrans-57.6-38.5172.5-141.784.1000113Y822 L823 I824 N828 R829Y822-L826 HydrophobicContact CE1-CD1 4.2Å; Y822-L826 WeakPolarHBondContact O-CB 3.49Å; Y822-L826 PolarHBondContact O-N 2.88Å; L823-L826 PolarHBondContact O-N 2.82Å; I824-L826 PolarHBondContact O-N 3.48Å; L826-N828 VanDerWaalsContact C-N 3.26Å; L826-N828 PolarHBondContact O-N 3.39Å; L826-R829 CarbonylContact O-C 3.59Å; L826-R829 PolarHBondContact O-N 2.98Å
827S37.3Very low38.9Very low31 Ų3165.2 Ų65.222%0.21733%0.331CS..Hα-helixtrans-72.3-20.1179.983.10000114.2R561 L823 I824 D825R561-S827 PolarHBondContact NH1-O 3.46Å; L823-S827 WeakPolarHBondContact O-CB 3.27Å; L823-S827 PolarHBondContact O-N 2.87Å; I824-S827 PolarHBondContact O-N 3.48Å; I824-S827 VanDerWaalsContact O-N 3.1Å; I824-S827 PolarHBondContact O-OG 3.07Å; D825-S827 VanDerWaalsContact C-N 3.3Å; D825-S827 PolarHBondContact O-N 3.29Å
828N35.8Very low38.7Very low116 Ų11666.4 Ų66.462%0.6233%0.334SS*.Hα-helixtrans-98.8-29.2176.2-68.1-35.2000112I824 D825 L826I824-N828 PolarHBondContact O-N 2.83Å; I824-N828 PolarHBondContact O-ND2 3.45Å; I824-N828 VanDerWaalsContact O-ND2 3.1Å; D825-N828 CarbonylContact O-C 3.3Å; D825-N828 PolarHBondContact O-N 3.35Å; D825-N828 VanDerWaalsContact O-N 3.12Å; L826-N828 VanDerWaalsContact C-N 3.26Å; L826-N828 PolarHBondContact O-N 3.39Å
829R33.2Very low38.2Very low148 Ų14864.3 Ų64.356%0.55832%0.322SS*.SBendtrans-107.989.6-178.1-71.2-169.8171.8148.5-5.9111.5D825 L826D825-R829 VanDerWaalsContact CG-NH1 3.28Å; D825-R829 WeakPolarHBondContact O-CA 3.34Å; D825-R829 WeakPolarHBondContact O-CB 3.43Å; D825-R829 PolarHBondContact O-N 3.09Å; D825-R829 VanDerWaalsContact OD1-CD 3.24Å; D825-R829 WeakPolarHBondContact OD1-CD 3.44Å; D825-R829 IonicContact OD1-CZ 3.62Å; D825-R829 VanDerWaalsContact OD1-CZ 3.29Å; D825-R829 IonicContact OD1-NE 3.54Å; D825-R829 PolarHBondContact OD1-NE 3.01Å; D825-R829 IonicContact OD1-NH1 3.93Å; D825-R829 PolarHBondContact OD1-NH1 3.5Å; D825-R829 VanDerWaalsContact OD1-NH1 3.12Å; D825-R829 WeakPolarHBondContact OD2-CD 3.28Å; D825-R829 IonicContact OD2-CZ 3.61Å; D825-R829 IonicContact OD2-NE 3.36Å; D825-R829 IonicContact OD2-NH1 2.75Å; D825-R829 PolarHBondContact OD2-NH1 3.25Å; L826-R829 CarbonylContact O-C 3.59Å; L826-R829 PolarHBondContact O-N 2.98Å
830L38.3Very low37.7Very low49 Ų4967 Ų6726%0.25734%0.343SS..  trans70.1102.7148.1-58.6124.9000115.7I924 R925 I926L830-I924 HydrophobicContact CD1-CG2 4.22Å; L830-I924 HydrophobicContact CD2-CG2 3.82Å; L830-R925 WeakPolarHBondContact CB-O 3.16Å; L830-R925 WeakPolarHBondContact CD1-O 3.4Å; L830-I926 HydrophobicContact CD2-CB 4.22Å; L830-I926 HydrophobicContact CD2-CG1 3.6Å
831I39.4Very low37.1Very low76 Ų7670.6 Ų70.639%0.3937%0.371SS..  trans-59.1128.5166.1-57.6171.1000108.4I613 V833 L1076I613-I831 HydrophobicContact CD1-CG2 4.12Å; I613-I831 HydrophobicContact CG1-CG2 4.38Å; I831-V833 PolarHBondContact O-N 2.91Å; I831-L1076 HydrophobicContact CD1-CD2 4.29Å
832P41.2Very low36.4Very low36 Ų3670.9 Ų70.923%0.23438%0.38CS..  trans-60.7126.5170.722-30.9000111.2Y834 R927P832-Y834 HydrophobicContact CB-CE1 4.35Å; P832-Y834 HydrophobicContact CB-CE2 3.88Å; P832-Y834 HydrophobicContact CG-CE2 3.66Å; P832-Y834 WeakPolarHBondContact CG-OH 3.2Å; P832-Y834 WeakPolarHBondContact O-CD2 3.39Å; P832-Y834 VanDerWaalsContact O-CE2 3.3Å; P832-Y834 WeakPolarHBondContact O-CE2 3.31Å; P832-Y834 PolarHBondContact O-N 3.47Å; P832-R927 HydrophobicContact CB-CB 4.2Å
833V40Very low35.7Very low19 Ų1970.3 Ų70.312%0.11539%0.387CS..EExtended strand (participates in β ladder)trans-91.783.7-173.7-174.80000109.5I831 A835 I926 R927 A928 I929 T1072I831-V833 PolarHBondContact O-N 2.91Å; V833-A835 PolarHBondContact O-N 2.84Å; V833-I926 HydrophobicContact CG2-CG2 3.58Å; V833-R927 PolarHBondContact N-O 3.32Å; V833-A928 HydrophobicContact CB-CB 4.2Å; V833-A928 WeakPolarHBondContact O-CA 3.49Å; V833-A928 WeakPolarHBondContact O-CB 3.27Å; V833-I929 PolarHBondContact O-N 3.46Å; V833-T1072 HydrophobicContact CB-CG2 4.22Å; V833-T1072 HydrophobicContact CG1-CG2 3.61Å; V833-T1072 HydrophobicContact CG2-CG2 3.55Å
834Y40.3Very low35.2Very low27 Ų2773.3 Ų73.311%0.10641%0.411CS..EExtended strand (participates in β ladder)trans-72.6119.4174.9-45.9-89.6000110L609 L612 D616 P832 I929L609-Y834 HydrophobicContact CD1-CD2 3.87Å; L612-Y834 HydrophobicContact CB-CD1 4.42Å; L612-Y834 HydrophobicContact CB-CD2 3.95Å; L612-Y834 HydrophobicContact CB-CE1 4.25Å; L612-Y834 HydrophobicContact CB-CE2 3.77Å; L612-Y834 HydrophobicContact CB-CG 4.26Å; L612-Y834 HydrophobicContact CD1-CD1 3.53Å; L612-Y834 HydrophobicContact CD1-CD2 4Å; L612-Y834 HydrophobicContact CD1-CE1 4.08Å; L612-Y834 HydrophobicContact CD1-CE2 4.49Å; L612-Y834 HydrophobicContact CD1-CG 3.47Å; L612-Y834 VanDerWaalsContact CD1-CG 3.47Å; L612-Y834 HydrophobicContact CG-CD1 4.47Å; L612-Y834 HydrophobicContact CG-CG 4.48Å; D616-Y834 PolarHBondContact OD2-OH 3.45Å; P832-Y834 HydrophobicContact CB-CE1 4.35Å; P832-Y834 HydrophobicContact CB-CE2 3.88Å; P832-Y834 HydrophobicContact CG-CE2 3.66Å; P832-Y834 WeakPolarHBondContact CG-OH 3.2Å; P832-Y834 WeakPolarHBondContact O-CD2 3.39Å; P832-Y834 VanDerWaalsContact O-CE2 3.3Å; P832-Y834 WeakPolarHBondContact O-CE2 3.31Å; P832-Y834 PolarHBondContact O-N 3.47Å; Y834-I929 HydrophobicContact CD1-CB 4.06Å; Y834-I929 HydrophobicContact CD1-CD1 3.74Å; Y834-I929 HydrophobicContact CD1-CG1 3.79Å; Y834-I929 HydrophobicContact CE1-CD1 3.65Å; Y834-I929 HydrophobicContact CE1-CG1 4.08Å
835A38.6Very low34.6Very low3 Ų373.7 Ų73.73%0.02542%0.421CS..EExtended strand (participates in β ladder)trans-126.6111.5-178.800000110V833 I929 I930 I931 L1071V833-A835 PolarHBondContact O-N 2.84Å; A835-I929 PolarHBondContact N-O 3.37Å; A835-I929 VanDerWaalsContact O-O 3.11Å; A835-I930 HydrophobicContact CB-CG1 4.41Å; A835-I930 WeakPolarHBondContact O-CA 3.49Å; A835-I931 PolarHBondContact O-N 3.23Å; A835-I931 VanDerWaalsContact O-N 3.13Å; A835-L1071 HydrophobicContact CB-CB 4.25Å; A835-L1071 HydrophobicContact CB-CD1 4.08Å; A835-L1071 HydrophobicContact CB-CD2 4.26Å; A835-L1071 HydrophobicContact CB-CG 4.44Å
836V37.9Very low34.1Very low38 Ų3878.6 Ų78.623%0.2345%0.447CS..EExtended strand (participates in β ladder)trans-96.3122.2175.9-175.30000108.9L608 L838 I931L608-V836 HydrophobicContact CD2-CG2 4.04Å; V836-L838 HydrophobicContact CG1-CD2 4.22Å; V836-L838 HydrophobicContact CG1-CG 4.13Å; V836-I931 HydrophobicContact CG1-CB 4.38Å; V836-I931 HydrophobicContact CG2-CB 4.36Å; V836-I931 HydrophobicContact CG2-CD1 4.27Å
837L40.5Very low33.7Very low37 Ų3781.8 Ų81.819%0.19446%0.463CS..  trans-120.184.6177.9-71.8171000108.4Q839 I930 I931 G932 L933 Y1029 L1071L837-Q839 PolarHBondContact O-N 3.41Å; L837-I930 HydrophobicContact CD1-CG2 4.26Å; L837-I931 CarbonylContact C-O 3.6Å; L837-I931 PolarHBondContact N-O 2.93Å; L837-G932 CarbonylContact O-C 3.57Å; L837-G932 WeakPolarHBondContact O-CA 3.29Å; L837-L933 HydrophobicContact CB-CD2 4.39Å; L837-L933 HydrophobicContact CB-CG 4.32Å; L837-L933 HydrophobicContact CD1-CD1 3.77Å; L837-L933 HydrophobicContact CD1-CG 4.17Å; L837-Y1029 HydrophobicContact CD1-CD2 3.43Å; L837-Y1029 VanDerWaalsContact CD1-CD2 3.43Å; L837-Y1029 HydrophobicContact CD1-CE2 3.75Å; L837-Y1029 HydrophobicContact CD1-CG 4.04Å; L837-L1071 HydrophobicContact CD1-CD2 4.49Å; L837-L1071 HydrophobicContact CD2-CD2 4.41Å
838L32.8Very low33.1Very low94 Ų9487.9 Ų87.949%0.49249%0.493SS..  trans-63.9115.5175.5-64.8169.8000109.6Y601 V836Y601-L838 HydrophobicContact CE1-CB 4.22Å; Y601-L838 HydrophobicContact CE1-CD1 4.11Å; V836-L838 HydrophobicContact CG1-CD2 4.22Å; V836-L838 HydrophobicContact CG1-CG 4.13Å
839Q32.6Very low32.6Very low76 Ų7689.5 Ų89.536%0.35550%0.501SS..PPolyproline II helixtrans-60.6139.8168-82176.1-17.400110.4L837 S841 G932 M937L837-Q839 PolarHBondContact O-N 3.41Å; Q839-S841 PolarHBondContact O-N 2.68Å; Q839-G932 WeakPolarHBondContact CG-O 3.45Å; Q839-M937 PolarHBondContact NE2-SD 3.09Å
840P29.1Very low32.3Very low124 Ų12490.4 Ų90.481%0.80552%0.516SS*.PPolyproline II helixtrans-63.2124157.429.1-31.6000107.7S842P840-S842 PolarHBondContact O-N 3.28Å; P840-S842 VanDerWaalsContact O-N 3.14Å
841S28.3Very low31.6Very low105 Ų10597 Ų9773%0.73455%0.546SS*.PPolyproline II helixtrans-59.9116.3-16855.20000112.7Q839 N843Q839-S841 PolarHBondContact O-N 2.68Å; S841-N843 VanDerWaalsContact C-N 3.27Å; S841-N843 PolarHBondContact O-N 3.39Å
842S26.2Very low31Very low103 Ų103100.6 Ų100.672%0.7257%0.566SS**  trans-72.574.7176.656.90000111.6P840P840-S842 PolarHBondContact O-N 3.28Å; P840-S842 VanDerWaalsContact O-N 3.14Å
843N26.5Very low30.4Very low133 Ų133106.9 Ų106.971%0.71160%0.598SS**  trans-130.243.8-174.3-127.28.4000112.1S841S841-N843 VanDerWaalsContact C-N 3.27Å; S841-N843 PolarHBondContact O-N 3.39Å
844S27.7Very low29.7Very low97 Ų97114.4 Ų114.468%0.67863%0.631SS**  trans-126.621.2-176.565.90000113.9
845S27.3Very low29Very low86 Ų86120.1 Ų120.160%0.60166%0.664SS**  trans-90.4-13.4-178.144.10000114.7L847S845-L847 VanDerWaalsContact C-N 3.34Å; S845-L847 PolarHBondContact O-N 3.34Å
846N26.6Very low28.5Very low164 Ų164127 Ų12788%0.87770%0.699SS**THydrogen-bonded Turntrans-92.529.8-176.9-76.8-5.3000114.2
847L27.4Very low28Very low155 Ų155131.5 Ų131.581%0.81272%0.721SS**THydrogen-bonded Turntrans-130.620.8-177.5-113.2166.5000114.4S845 N849S845-L847 VanDerWaalsContact C-N 3.34Å; S845-L847 PolarHBondContact O-N 3.34Å; L847-N849 VanDerWaalsContact C-N 3.3Å; L847-N849 PolarHBondContact O-N 2.87Å
848L25.3Very low27.2Very low160 Ų160135.8 Ų135.884%0.83875%0.749SS**  trans-88.217.2175.5-80.7169000114.4
849N25.9Very low26.8Very low149 Ų149142.8 Ų142.880%0.79777%0.769SS**  trans-128.281.7177.2-84.8-27.4000110.8L847L847-N849 VanDerWaalsContact C-N 3.3Å; L847-N849 PolarHBondContact O-N 2.87Å
850L26.3Very low26.4Very low167 Ų167145.2 Ų145.287%0.87479%0.794SS**  175.878.9130-114.269.7000111.7
851E24Very low26.2Very low189 Ų189145.3 Ų145.388%0.88379%0.793SS**  trans-120.289.7151.8-78.8-162.3148.600108.5
852N26.7Very low26Very low151 Ų151148 Ų14881%0.80780%0.797SS**  trans178.289.7155.5-97.7-41.2000110.7
853N28.3Very low25.8Very low168 Ų168148.2 Ų148.290%0.89880%0.799SS**  -177146.3130-93.7-35.6000110.5
854H26Very low25.7Very low176 Ų176150 Ų15082%0.81581%0.808SS**  trans-91.6170.1-175-68.2-66.1000113.9
855N24.5Very low25.5Very low148 Ų148152.8 Ų152.879%0.79182%0.815SS**  trans98140.1147-66.7-22.1000121
856I29.4Very low25.4Very low147 Ų147157.7 Ų157.775%0.75483%0.825SS**  trans87.995.3154.7-65.2150.5000118.6
857D26.8Very low25.2Very low132 Ų132161 Ų16171%0.70683%0.827SS**  65101.5125.1-53.6-9.8000123.3
858T24.8Very low25.2Very low127 Ų127160.6 Ų160.678%0.77982%0.821SS**  35.4142.6122.7710000123
859R23.3Very low25.5Very low242 Ų242158.6 Ų158.691%0.91382%0.817SS**  trans83.9102.3163.2-63.7-178.5165.5179.9-3118
860S24.7Very low25.7Very low126 Ų126155.3 Ų155.388%0.88180%0.8SS**  -160.9158.8120.943.90000110.8
861T23.8Very low25.9Very low127 Ų127153.4 Ų153.478%0.77979%0.786SS**  trans-111149.917446.30000110.1
862I24.8Very low26.2Very low161 Ų161150.7 Ų150.783%0.82678%0.778SS**SBendtrans83.5135.7169.6-53.6173.3000116.7
863S23Very low26.4Very low107 Ų107148 Ų14875%0.74876%0.761SS**  trans70.8100.1164.263.10000120.1
864L23.2Very low26.5Very low172 Ų172144.5 Ų144.590%0.90174%0.741SS**  -150.4107.2129.2-134.8148.8000111.2
865N23.6Very low26.7Very low155 Ų155141.3 Ų141.383%0.82973%0.729SS**  trans-83.9116.4175.2-82.2-37.5000110.2
866K24.6Very low27Very low189 Ų189141.3 Ų141.382%0.82273%0.726SS**  trans159119.6146.3-91.8162.2-177.5-178.70110.5
867Y23.7Very low27.1Very low232 Ų232138 Ų13891%0.9171%0.708SS**  -173137109.4-110.1-78000109.8
868Q26.3Very low27.3Very low147 Ų147137.2 Ų137.269%0.68770%0.704SS**  trans-98149.7-177.7-80.6166.5-103.800111.8D870Q868-D870 HydrophobicContact CB-CB 4.42Å; Q868-D870 WeakPolarHBondContact CB-OD2 3.47Å; Q868-D870 PolarHBondContact NE2-OD2 2.9Å; Q868-D870 PolarHBondContact O-N 3.31Å
869P33Very low27.7Very low118 Ų118136.8 Ų136.877%0.76669%0.694SS**THydrogen-bonded Turntrans-76.2-0.517333.6-36.2000114H871P869-H871 PolarHBondContact O-N 3.12Å
870D30Very low28.1Very low80 Ų80130 Ų13043%0.42868%0.676SS.*THydrogen-bonded Turntrans-75.9-17.5-164.6-61.4-53000115.3Q868 N872 M873 M874Q868-D870 HydrophobicContact CB-CB 4.42Å; Q868-D870 WeakPolarHBondContact CB-OD2 3.47Å; Q868-D870 PolarHBondContact NE2-OD2 2.9Å; Q868-D870 PolarHBondContact O-N 3.31Å; D870-N872 PolarHBondContact O-N 3.13Å; D870-M873 PolarHBondContact O-N 3.16Å; D870-M874 PolarHBondContact O-N 2.72Å
871H29.7Very low28.4Very low127 Ų127128.8 Ų128.859%0.58866%0.659SS**Hα-helixtrans-66.4-38.2-172.3-116.756000113.9P869 M873 M874 I875P869-H871 PolarHBondContact O-N 3.12Å; H871-M873 VanDerWaalsContact C-N 3.27Å; H871-M873 PolarHBondContact O-N 3.3Å; H871-M874 PolarHBondContact O-N 2.94Å; H871-I875 PolarHBondContact O-N 2.85Å
872N30.7Very low28.8Very low132 Ų132128.1 Ų128.171%0.70665%0.648SS**Hα-helixtrans-69.1-23.9179.5-75.9-2.9000113D870D870-N872 PolarHBondContact O-N 3.13Å
873M30.2Very low29.3Very low94 Ų94125.6 Ų125.646%0.46364%0.636SS.*Hα-helixtrans-79.2-33174.2-163.6177.470.700111.7D870 H871 M876 M877D870-M873 PolarHBondContact O-N 3.16Å; H871-M873 VanDerWaalsContact C-N 3.27Å; H871-M873 PolarHBondContact O-N 3.3Å; M873-M876 PolarHBondContact O-N 3.42Å; M873-M877 HydrophobicContact CG-CE 4.49Å; M873-M877 WeakPolarHBondContact O-CG 3.47Å; M873-M877 PolarHBondContact O-N 3.37Å; M873-M877 VanDerWaalsContact O-N 3.15Å; M873-M877 HydrophobicContact SD-CE 4.48Å
874M30Very low29.9Very low95 Ų95125.6 Ų125.647%0.46863%0.627SS.*Hα-helixtrans-72.2-41.6-177.8-166.9164.164.500112.5D870 H871 M876 M877 N878D870-M874 PolarHBondContact O-N 2.72Å; H871-M874 PolarHBondContact O-N 2.94Å; M874-M876 VanDerWaalsContact C-N 3.26Å; M874-M876 PolarHBondContact O-N 3.43Å; M874-M877 PolarHBondContact O-N 2.95Å; M874-N878 PolarHBondContact O-N 2.92Å
875I31.4Very low30.5Very low109 Ų109121.7 Ų121.756%0.55961%0.607SS**Hα-helixtrans-60.3-39.3174-63.7171.3000110.7H871 M877 N878H871-I875 PolarHBondContact O-N 2.85Å; I875-M877 VanDerWaalsContact C-N 3.28Å; I875-M877 PolarHBondContact O-N 2.89Å; I875-N878 PolarHBondContact O-N 2.92Å
876M31Very low30.8Very low149 Ų149121.1 Ų121.173%0.73460%0.603SS**Hα-helixtrans-72.2-17.1177.4-157.8179.5-63.900113.7M873 M874M873-M876 PolarHBondContact O-N 3.42Å; M874-M876 VanDerWaalsContact C-N 3.26Å; M874-M876 PolarHBondContact O-N 3.43Å
877M30.5Very low31Very low78 Ų78119 Ų11938%0.38460%0.6SS.*Hα-helixtrans-92.1-30.9174.4-77.7-176.5165.300113.3P706 M873 M874 I875 M879P706-M877 HydrophobicContact CG-CE 4.1Å; P706-M877 HydrophobicContact CG-SD 4.41Å; M873-M877 HydrophobicContact CG-CE 4.49Å; M873-M877 WeakPolarHBondContact O-CG 3.47Å; M873-M877 PolarHBondContact O-N 3.37Å; M873-M877 VanDerWaalsContact O-N 3.15Å; M873-M877 HydrophobicContact SD-CE 4.48Å; M874-M877 PolarHBondContact O-N 2.95Å; I875-M877 VanDerWaalsContact C-N 3.28Å; I875-M877 PolarHBondContact O-N 2.89Å; M877-M879 PolarHBondContact O-N 2.84Å
878N30.8Very low31.3Very low114 Ų114114.3 Ų114.361%0.6159%0.589SS**Hα-helixtrans-70.1-15.2-179.9-74.1-2000114.2M874 I875 L880M874-N878 PolarHBondContact O-N 2.92Å; I875-N878 PolarHBondContact O-N 2.92Å; N878-L880 PolarHBondContact O-N 2.78Å
879M32.7Very low31.4Very low118 Ų118114.2 Ų114.258%0.58159%0.593SS**THydrogen-bonded Turntrans-67-0.5177.4-70.1-67.7-68.900114.9M877 F901M877-M879 PolarHBondContact O-N 2.84Å; M879-F901 HydrophobicContact CE-CE2 4.04Å; M879-F901 HydrophobicContact CE-CZ 3.96Å
880L31.9Very low31.1Very low99 Ų99112.1 Ų112.152%0.51858%0.578SS.*SBendtrans-137.371.8169.6-73.9174.5000109.3R710 N878R710-L880 VanDerWaalsContact NH2-CD1 3.27Å; N878-L880 PolarHBondContact O-N 2.78Å
881N32.3Very low30.9Very low101 Ų101115.6 Ų115.654%0.5460%0.597SS.*  trans-65.6148.4175.9-161.30.7000110.5N883 D884N881-N883 PolarHBondContact O-N 2.95Å; N881-D884 PolarHBondContact O-N 2.91Å
882E31.9Very low30.7Very low114 Ų114119.9 Ų119.953%0.53361%0.608SS.*G310 helixtrans-67.3-14.8-166.5-67.1-165.9136.200114.2K713K713-E882 WeakPolarHBondContact CE-OE1 3.35Å; K713-E882 IonicContact NZ-OE1 2.77Å; K713-E882 PolarHBondContact NZ-OE1 2.89Å; K713-E882 IonicContact NZ-OE2 3.48Å
883N34.7Very low30.7Very low108 Ų108118.1 Ų118.158%0.57860%0.597SS**G310 helixtrans-72.5-35.9-177.7-63.4-17.3000113.9N881 L885 L886 N887N881-N883 PolarHBondContact O-N 2.95Å; N883-L885 PolarHBondContact O-N 2.89Å; N883-L885 VanDerWaalsContact O-N 3.15Å; N883-L886 PolarHBondContact O-N 3.04Å; N883-N887 PolarHBondContact O-N 3.41Å
884D36.1Very low30.5Very low107 Ų107119.2 Ų119.257%0.57261%0.605SS**G310 helixtrans-68.8-15.7-179.1-58.7-37000112.3N881 L886N881-D884 PolarHBondContact O-N 2.91Å; D884-L886 VanDerWaalsContact C-N 3.28Å
885L35.3Very low30.5Very low89 Ų89121 Ų12147%0.46662%0.616SS.*G310 helixtrans-82.2-1.5174.1-98.9160.8000114.3K717 N883K717-L885 PolarHBondContact NZ-O 2.85Å; N883-L885 PolarHBondContact O-N 2.89Å; N883-L885 VanDerWaalsContact O-N 3.15Å
886L30.1Very low30.4Very low143 Ų143121.8 Ų121.875%0.74963%0.628SS**THydrogen-bonded Turntrans-112.3-37.7174.5-66.7171000112N883 D884 M888N883-L886 PolarHBondContact O-N 3.04Å; D884-L886 VanDerWaalsContact C-N 3.28Å; L886-M888 PolarHBondContact O-N 2.86Å
887N29.9Very low30.2Very low144 Ų144119.6 Ų119.677%0.7762%0.623SS**  trans-80.725.5-176.6-107.717.2000115.8N883 N889N883-N887 PolarHBondContact O-N 3.41Å; N887-N889 PolarHBondContact O-N 2.92Å
888M29.3Very low30Very low134 Ų134120.9 Ų120.966%0.6664%0.64SS**  trans-77.455.8170.5-85.7-78.8162.100111.7L886 I893L886-M888 PolarHBondContact O-N 2.86Å; M888-I893 HydrophobicContact CE-CD1 4.43Å; M888-I893 HydrophobicContact SD-CD1 4.46Å
889N27.1Very low29.9Very low145 Ų145119.9 Ų119.978%0.77564%0.642SS**  trans-69.1138.9172.7-136.31.2000109N887 N891N887-N889 PolarHBondContact O-N 2.92Å; N889-N891 PolarHBondContact O-N 3.19Å
890T28.6Very low29.8Very low74 Ų74119 Ų11945%0.45465%0.647SS.*SBendtrans-87.668.6-165.941.70000114.3
891N25.2Very low29.7Very low154 Ų154120.6 Ų120.682%0.82465%0.65SS**SBendtrans-159.8135.5153.7-91.9-32.7000110.6N889N889-N891 PolarHBondContact O-N 3.19Å
892R25.7Very low29.4Very low216 Ų216120.6 Ų120.682%0.81566%0.658SS**  trans52.3121.1-173.4-65.3-173.5-178.6163.62.3116.3
893I30.8Very low29.3Very low96 Ų96124 Ų12449%0.49267%0.673SS.*  trans-104.792.6154.5-60.7173.6000104.9M888M888-I893 HydrophobicContact CE-CD1 4.43Å; M888-I893 HydrophobicContact SD-CD1 4.46Å
894D25.7Very low29Very low116 Ų116123.2 Ų123.262%0.6267%0.673SS**  trans-72.5139.3165.4-60.5-37.6000107.7
895L28.6Very low28.6Very low133 Ų133124.3 Ų124.370%0.69669%0.689SS**  trans-62149.6175.7-89.769.8000109.4T897L895-T897 PolarHBondContact O-N 3.3Å
896P29.6Very low28.4Very low125 Ų125122.4 Ų122.481%0.81269%0.69SS**  trans-60.3100.9-171.323.3-34.3000112.2S898P896-S898 PolarHBondContact O-N 3.2Å; P896-S898 VanDerWaalsContact O-N 3.09Å
897T27.4Very low28.5Very low103 Ų103123.5 Ų123.563%0.63270%0.697SS**  trans-78.394.1-175.236.10000111.4L895 S899L895-T897 PolarHBondContact O-N 3.3Å; T897-S899 PolarHBondContact O-N 2.99Å; T897-S899 PolarHBondContact O-OG 2.84Å
898S27.4Very low28.8Very low106 Ų106123 Ų12374%0.74169%0.694SS**SBendtrans52.8-3.1144.953.30000120.8P896P896-S898 PolarHBondContact O-N 3.2Å; P896-S898 VanDerWaalsContact O-N 3.09Å
899S28.3Very low29.6Very low92 Ų92120 Ų12064%0.64368%0.683SS**SBendtrans-96.4-26.1-172.347.70000113.5T897 F901T897-S899 PolarHBondContact O-N 2.99Å; T897-S899 PolarHBondContact O-OG 2.84Å; S899-F901 VanDerWaalsContact C-N 3.3Å; S899-F901 PolarHBondContact O-N 2.85Å
900S30.6Very low30.6Very low100 Ų100116.2 Ų116.270%0.69967%0.665SS**THydrogen-bonded Turntrans-79.7-4.1179.4-39.90000114.8
901F29.4Very low31.5Very low133 Ų133113.1 Ų113.158%0.58365%0.646SS**THydrogen-bonded Turntrans-116.423.9-171.9-90.6-80.5000114M879 S899 H903 V904M879-F901 HydrophobicContact CE-CE2 4.04Å; M879-F901 HydrophobicContact CE-CZ 3.96Å; S899-F901 VanDerWaalsContact C-N 3.3Å; S899-F901 PolarHBondContact O-N 2.85Å; F901-H903 PolarHBondContact O-N 3.24Å; F901-V904 PolarHBondContact O-N 3.17Å
902S26.5Very low32.9Very low100 Ų100106.9 Ų106.970%0.69961%0.612SS**THydrogen-bonded Turntrans-624.3-175.453.90000116.9
903H28.2Very low34.4Very low185 Ų18596.6 Ų96.686%0.85657%0.573SS**THydrogen-bonded Turntrans-130.223.4178.2-90.8-68.7000115.3F901F901-H903 PolarHBondContact O-N 3.24Å
904V30Very low35.6Very low93 Ų9394.9 Ų94.956%0.56456%0.561SS**SBendtrans-131.5121.5160.2-174.90000109.9F901 G906F901-V904 PolarHBondContact O-N 3.17Å; V904-G906 PolarHBondContact O-N 3.22Å; V904-G906 VanDerWaalsContact O-N 3.16Å
905S27.8Very low37.3Very low130 Ų13089.6 Ų89.691%0.90953%0.532SS*.  trans-79.493.5-179.754.60000111.8
906G31Very low38.8Very low48 Ų4883.6 Ų83.650%0.49550%0.501SS..  trans174.6113.6171.200000114V904 N908V904-G906 PolarHBondContact O-N 3.22Å; V904-G906 VanDerWaalsContact O-N 3.16Å; G906-N908 VanDerWaalsContact C-N 3.3Å; G906-N908 PolarHBondContact O-N 3.44Å
907N30.6Very low40.2Very low167 Ų16777.7 Ų77.789%0.89346%0.463SS*.  trans-75.577.3174.5-80.7-1.5000111.2V909N907-V909 PolarHBondContact O-N 3.06Å
908N37.7Very low41.6Very low133 Ų13375.7 Ų75.771%0.71145%0.448SS*.  trans-85.992.7175.4-72.7-4.2000110.8G906G906-N908 VanDerWaalsContact C-N 3.3Å; G906-N908 PolarHBondContact O-N 3.44Å
909V44.3Very low43.1Very low70 Ų7071 Ų7142%0.42441%0.414SS..PPolyproline II helixtrans-66.1144.9172.3-178.20000110.3N907N907-V909 PolarHBondContact O-N 3.06Å
910V48.4Very low44.6Very low67 Ų6770.6 Ų70.641%0.40642%0.416SS..PPolyproline II helixtrans-91119.4-176.1174.60000110.9I931V910-I931 HydrophobicContact CG1-CB 4.25Å; V910-I931 HydrophobicContact CG1-CG1 3.88Å; V910-I931 HydrophobicContact CG1-CG2 4.15Å; V910-I931 HydrophobicContact CG2-CG2 4.15Å
911P48.7Very low45.7Very low8 Ų871.9 Ų71.95%0.05243%0.426CS..PPolyproline II helixtrans-82.2125178.531-32.9000112.8I930 L933 L1004P911-I930 PolarHBondContact O-N 3.38Å; P911-L933 WeakPolarHBondContact CD-O 3.49Å; P911-L933 WeakPolarHBondContact CG-O 3.5Å; P911-L1004 HydrophobicContact CB-CD1 4.19Å
912E54.3Low46.5Very low24 Ų2467.3 Ų67.311%0.11241%0.412CS..EExtended strand (participates in β ladder)trans-77.2136.4159-166.3-168.9170.300109.2R914 I929 H1003 L1004E912-R914 VanDerWaalsContact CD-NE 3.34Å; E912-R914 HydrophobicContact CG-CG 4.45Å; E912-R914 WeakPolarHBondContact OE1-CG 3.38Å; E912-R914 IonicContact OE1-CZ 3.26Å; E912-R914 IonicContact OE1-NE 2.93Å; E912-R914 PolarHBondContact OE1-NE 3.19Å; E912-R914 IonicContact OE1-NH2 2.71Å; E912-R914 PolarHBondContact OE1-NH2 3.28Å; E912-R914 VanDerWaalsContact OE1-NH2 3.16Å; E912-R914 IonicContact OE2-CZ 3.65Å; E912-R914 IonicContact OE2-NE 3.84Å; E912-R914 PolarHBondContact OE2-NE 3.46Å; E912-R914 IonicContact OE2-NH2 3.46Å; E912-R914 PolarHBondContact OE2-NH2 3.39Å; E912-I929 HydrophobicContact CG-CG1 4.29Å; E912-H1003 IonicContact OE2-CE1 3.8Å; E912-H1003 IonicContact OE2-ND1 2.68Å; E912-H1003 PolarHBondContact OE2-ND1 3.37Å; E912-L1004 PolarHBondContact O-N 3.34Å
913I56.8Low47.9Very low0 Ų067 Ų670%040%0.401CS..EExtended strand (participates in β ladder)trans-126.494.6-179.3-68.8176.1000109.2A928 I930 A938 I942 W984 L1004 I1006I913-A928 CarbonylContact C-O 3.59Å; I913-A928 VanDerWaalsContact C-O 3.3Å; I913-A928 PolarHBondContact N-O 3.48Å; I913-A928 CarbonylContact O-C 3.56Å; I913-A928 WeakPolarHBondContact O-CA 3.29Å; I913-A928 WeakPolarHBondContact O-CB 3.34Å; I913-A928 PolarHBondContact O-N 3.02Å; I913-I930 HydrophobicContact CB-CD1 4.2Å; I913-I930 HydrophobicContact CB-CG1 4.48Å; I913-I930 HydrophobicContact CD1-CB 4.19Å; I913-I930 HydrophobicContact CD1-CD1 4.01Å; I913-I930 HydrophobicContact CD1-CG1 4.43Å; I913-I930 HydrophobicContact CG2-CD1 4.4Å; I913-A938 HydrophobicContact CD1-CB 3.72Å; I913-I942 HydrophobicContact CD1-CD1 3.63Å; I913-W984 HydrophobicContact CD1-CZ3 4.04Å; I913-W984 HydrophobicContact CG2-CZ3 4.46Å; I913-L1004 WeakPolarHBondContact CA-O 3.49Å; I913-L1004 HydrophobicContact CG1-CB 4.33Å; I913-I1006 HydrophobicContact CG2-CD1 3.46Å; I913-I1006 VanDerWaalsContact CG2-CD1 3.46Å; I913-I1006 HydrophobicContact CG2-CG1 3.96Å
914R56.7Low49.3Very low60 Ų6059.1 Ų59.123%0.22637%0.365CS..EExtended strand (participates in β ladder)trans-80.7124.8173.8-63.7-175.5-175.8158.418.1108.7E912 R927 L987 L1004 E1005 I1006E912-R914 VanDerWaalsContact CD-NE 3.34Å; E912-R914 HydrophobicContact CG-CG 4.45Å; E912-R914 WeakPolarHBondContact OE1-CG 3.38Å; E912-R914 IonicContact OE1-CZ 3.26Å; E912-R914 IonicContact OE1-NE 2.93Å; E912-R914 PolarHBondContact OE1-NE 3.19Å; E912-R914 IonicContact OE1-NH2 2.71Å; E912-R914 PolarHBondContact OE1-NH2 3.28Å; E912-R914 VanDerWaalsContact OE1-NH2 3.16Å; E912-R914 IonicContact OE2-CZ 3.65Å; E912-R914 IonicContact OE2-NE 3.84Å; E912-R914 PolarHBondContact OE2-NE 3.46Å; E912-R914 IonicContact OE2-NH2 3.46Å; E912-R914 PolarHBondContact OE2-NH2 3.39Å; R914-R927 HydrophobicContact CG-CG 4.38Å; R914-L987 VanDerWaalsContact NH1-CD2 3.29Å; R914-L1004 PolarHBondContact N-O 3.29Å; R914-E1005 HydrophobicContact CB-CB 4.32Å; R914-E1005 HydrophobicContact CB-CG 3.91Å; R914-E1005 CarbonylContact O-C 3.06Å; R914-E1005 VanDerWaalsContact O-CA 3.3Å; R914-E1005 WeakPolarHBondContact O-CA 3.38Å; R914-E1005 WeakPolarHBondContact O-CG 3.5Å; R914-I1006 PolarHBondContact O-N 3.12Å
915F61.4Low50.5Low5 Ų561.4 Ų61.42%0.02236%0.363CS..EExtended strand (participates in β ladder)trans-107.6121.2177.3170.9-101.3000111A917 R925 I926 I944 I1006 T1008 I1010 I1027F915-A917 HydrophobicContact CE1-CB 3.55Å; F915-A917 HydrophobicContact CZ-CB 3.56Å; F915-R925 CarbonylContact O-C 3.53Å; F915-R925 WeakPolarHBondContact O-CA 3.47Å; F915-I926 WeakPolarHBondContact CA-O 3.33Å; F915-I926 HydrophobicContact CB-CB 4.41Å; F915-I926 WeakPolarHBondContact CB-O 3.48Å; F915-I926 HydrophobicContact CD1-CB 3.91Å; F915-I926 HydrophobicContact CD1-CD1 3.79Å; F915-I926 HydrophobicContact CD1-CG1 3.82Å; F915-I926 HydrophobicContact CE1-CD1 4.05Å; F915-I926 HydrophobicContact CE1-CG1 4.34Å; F915-I926 PolarHBondContact N-O 3.36Å; F915-I926 PolarHBondContact O-N 3.24Å; F915-I944 HydrophobicContact CD2-CD1 4.38Å; F915-I944 HydrophobicContact CE2-CD1 3.32Å; F915-I944 HydrophobicContact CE2-CG1 3.98Å; F915-I944 HydrophobicContact CZ-CD1 3.44Å; F915-I944 VanDerWaalsContact CZ-CD1 3.44Å; F915-I944 HydrophobicContact CZ-CG1 4.17Å; F915-I944 HydrophobicContact CZ-CG2 4.45Å; F915-I1006 HydrophobicContact CD2-CB 3.99Å; F915-I1006 HydrophobicContact CD2-CG2 3.74Å; F915-I1006 HydrophobicContact CE2-CG2 4.14Å; F915-T1008 HydrophobicContact CE2-CG2 4.45Å; F915-T1008 WeakPolarHBondContact CE2-OG1 3.35Å; F915-I1010 HydrophobicContact CZ-CD1 4.39Å; F915-I1027 HydrophobicContact CB-CD1 4.11Å
916T59.4Low51.8Low7 Ų755.5 Ų55.54%0.04332%0.322CS..EExtended strand (participates in β ladder)trans-115.3102.7176.5-61.30000109.4M923 R925 E1005 I1006 T1008T916-M923 HydrophobicContact CG2-CG 3.59Å; T916-M923 HydrophobicContact CG2-SD 3.72Å; T916-R925 HydrophobicContact CG2-CG 4.14Å; T916-E1005 WeakPolarHBondContact CB-OE1 3.33Å; T916-E1005 PolarHBondContact OG1-OE1 3.44Å; T916-I1006 PolarHBondContact N-O 3.34Å; T916-T1008 PolarHBondContact O-N 3.39Å
917A59.5Low52.7Low1 Ų159.5 Ų59.51%0.00832%0.322CS..EExtended strand (participates in β ladder)trans-80.3139.8164.600000110.1F915 M923 I924 I1010F915-A917 HydrophobicContact CE1-CB 3.55Å; F915-A917 HydrophobicContact CZ-CB 3.56Å; A917-M923 CarbonylContact O-C 3.55Å; A917-M923 WeakPolarHBondContact O-CA 3.2Å; A917-I924 HydrophobicContact CB-CB 4.28Å; A917-I924 PolarHBondContact N-O 3.38Å; A917-I924 PolarHBondContact O-N 3.15Å; A917-I1010 HydrophobicContact CB-CD1 4.41Å
918I56.7Low53.9Low61 Ų6151.6 Ų51.631%0.31328%0.279SS..EExtended strand (participates in β ladder)trans-118.1126.1162-61.7168.8000107.5M923 T1008 I1010I918-M923 HydrophobicContact CG1-CB 4.35Å; I918-M923 HydrophobicContact CG1-CG 4.2Å; I918-T1008 PolarHBondContact N-O 3.09Å; I918-I1010 PolarHBondContact O-N 3.31Å
919I58.7Low54.6Low6 Ų647.7 Ų47.73%0.03126%0.258CS..EExtended strand (participates in β ladder)trans-127.7106.7179.1-58.9-180000107.4S921 A922 I924 L1012 L1025 L1082I919-S921 PolarHBondContact O-N 3.45Å; I919-A922 PolarHBondContact N-O 3.08Å; I919-A922 PolarHBondContact O-N 3.07Å; I919-I924 HydrophobicContact CB-CD1 4.47Å; I919-I924 HydrophobicContact CD1-CD1 3.85Å; I919-I924 HydrophobicContact CG1-CD1 4.19Å; I919-L1012 HydrophobicContact CD1-CD1 4.48Å; I919-L1012 HydrophobicContact CG2-CD1 4.31Å; I919-L1025 HydrophobicContact CD1-CD1 3.6Å; I919-L1025 HydrophobicContact CD1-CD2 4.24Å; I919-L1082 HydrophobicContact CG2-CD1 4.23Å; I919-L1082 HydrophobicContact CG2-CD2 4.34Å
920A59.4Low55.1Low84 Ų8444.3 Ų44.369%0.69424%0.238SC*.THydrogen-bonded Turntrans50.2-116.4-168.300000111.3
921S54.9Low55.1Low128 Ų12844.3 Ų44.390%0.89524%0.235SC*.THydrogen-bonded Turntrans-90.5-1.1177.854.40000114.7I919I919-S921 PolarHBondContact O-N 3.45Å
922A46.2Very low55.1Low37 Ų3745.3 Ų45.331%0.30625%0.246SC..EExtended strand (participates in β ladder)trans-102.7118.3-175.700000112.2I919I919-A922 PolarHBondContact N-O 3.08Å; I919-A922 PolarHBondContact O-N 3.07Å
923M55.8Low55.3Low93 Ų9344.7 Ų44.746%0.45824%0.244SC..EExtended strand (participates in β ladder)trans-93.6129171.8-178179.757.700110.9T916 A917 I918 R925T916-M923 HydrophobicContact CG2-CG 3.59Å; T916-M923 HydrophobicContact CG2-SD 3.72Å; A917-M923 CarbonylContact O-C 3.55Å; A917-M923 WeakPolarHBondContact O-CA 3.2Å; I918-M923 HydrophobicContact CG1-CB 4.35Å; I918-M923 HydrophobicContact CG1-CG 4.2Å; M923-R925 VanDerWaalsContact CE-CZ 3.49Å; M923-R925 HydrophobicContact CG-CG 4.4Å
924I56.7Low55.4Low19 Ų1948.1 Ų48.110%0.09726%0.262CS..EExtended strand (participates in β ladder)trans-126.7110.6-174.4-59.1140.6000108.6L830 A917 I919 I926 V1080L830-I924 HydrophobicContact CD1-CG2 4.22Å; L830-I924 HydrophobicContact CD2-CG2 3.82Å; A917-I924 HydrophobicContact CB-CB 4.28Å; A917-I924 PolarHBondContact N-O 3.38Å; A917-I924 PolarHBondContact O-N 3.15Å; I919-I924 HydrophobicContact CB-CD1 4.47Å; I919-I924 HydrophobicContact CD1-CD1 3.85Å; I919-I924 HydrophobicContact CG1-CD1 4.19Å; I924-I926 HydrophobicContact CG2-CG1 4.49Å; I924-V1080 HydrophobicContact CD1-CB 4.5Å; I924-V1080 HydrophobicContact CD1-CG1 4.2Å; I924-V1080 HydrophobicContact CD1-CG2 3.45Å; I924-V1080 VanDerWaalsContact CD1-CG2 3.45Å; I924-V1080 HydrophobicContact CG1-CG2 4.23Å
925R54.8Low55.6Low142 Ų14248.1 Ų48.154%0.53627%0.266SS..EExtended strand (participates in β ladder)trans-100.790.6-174.9-70.8179.1167.7158.3-6.2112.2L830 F915 T916 M923 R927L830-R925 WeakPolarHBondContact CB-O 3.16Å; L830-R925 WeakPolarHBondContact CD1-O 3.4Å; F915-R925 CarbonylContact O-C 3.53Å; F915-R925 WeakPolarHBondContact O-CA 3.47Å; T916-R925 HydrophobicContact CG2-CG 4.14Å; M923-R925 VanDerWaalsContact CE-CZ 3.49Å; M923-R925 HydrophobicContact CG-CG 4.4Å; R925-R927 PolarHBondContact O-N 3.45Å
926I55.7Low55.8Low6 Ų653.4 Ų53.43%0.03129%0.291CS..EExtended strand (participates in β ladder)trans-80.6105.6170.5-43.1176.9000107.9L830 V833 F915 I924 I1027L830-I926 HydrophobicContact CD2-CB 4.22Å; L830-I926 HydrophobicContact CD2-CG1 3.6Å; V833-I926 HydrophobicContact CG2-CG2 3.58Å; F915-I926 WeakPolarHBondContact CA-O 3.33Å; F915-I926 HydrophobicContact CB-CB 4.41Å; F915-I926 WeakPolarHBondContact CB-O 3.48Å; F915-I926 HydrophobicContact CD1-CB 3.91Å; F915-I926 HydrophobicContact CD1-CD1 3.79Å; F915-I926 HydrophobicContact CD1-CG1 3.82Å; F915-I926 HydrophobicContact CE1-CD1 4.05Å; F915-I926 HydrophobicContact CE1-CG1 4.34Å; F915-I926 PolarHBondContact N-O 3.36Å; F915-I926 PolarHBondContact O-N 3.24Å; I924-I926 HydrophobicContact CG2-CG1 4.49Å; I926-I1027 HydrophobicContact CG2-CD1 4.31Å
927R50.9Low56.1Low131 Ų13156.3 Ų56.349%0.49431%0.305SS..EExtended strand (participates in β ladder)trans-72.9137.6168.4-72.7-172.9170.1-175.9-5.3109.7P832 V833 R914 R925P832-R927 HydrophobicContact CB-CB 4.2Å; V833-R927 PolarHBondContact N-O 3.32Å; R914-R927 HydrophobicContact CG-CG 4.38Å; R925-R927 PolarHBondContact O-N 3.45Å
928A54.7Low56.3Low1 Ų156.3 Ų56.31%0.00831%0.305CS..EExtended strand (participates in β ladder)trans-135.8145.1167.900000111.1V833 I913 I930 I1027V833-A928 HydrophobicContact CB-CB 4.2Å; V833-A928 WeakPolarHBondContact O-CA 3.49Å; V833-A928 WeakPolarHBondContact O-CB 3.27Å; I913-A928 CarbonylContact C-O 3.59Å; I913-A928 VanDerWaalsContact C-O 3.3Å; I913-A928 PolarHBondContact N-O 3.48Å; I913-A928 CarbonylContact O-C 3.56Å; I913-A928 WeakPolarHBondContact O-CA 3.29Å; I913-A928 WeakPolarHBondContact O-CB 3.34Å; I913-A928 PolarHBondContact O-N 3.02Å; A928-I930 HydrophobicContact CB-CD1 4.36Å; A928-I930 HydrophobicContact CB-CG1 4.29Å; A928-I1027 HydrophobicContact CB-CD1 3.84Å
929I52.8Low57Low51 Ų5158.5 Ų58.526%0.26231%0.309SS..EExtended strand (participates in β ladder)trans-115.4120.6171.2-48.5-164.4000106.6V833 Y834 A835 E912 I931V833-I929 PolarHBondContact O-N 3.46Å; Y834-I929 HydrophobicContact CD1-CB 4.06Å; Y834-I929 HydrophobicContact CD1-CD1 3.74Å; Y834-I929 HydrophobicContact CD1-CG1 3.79Å; Y834-I929 HydrophobicContact CE1-CD1 3.65Å; Y834-I929 HydrophobicContact CE1-CG1 4.08Å; A835-I929 PolarHBondContact N-O 3.37Å; A835-I929 VanDerWaalsContact O-O 3.11Å; E912-I929 HydrophobicContact CG-CG1 4.29Å; I929-I931 HydrophobicContact CG2-CD1 4.43Å; I929-I931 HydrophobicContact CG2-CG1 4.02Å
930I54.8Low57.5Low0 Ų063.7 Ų63.70%033%0.331CS..EExtended strand (participates in β ladder)trans-117.592-168.7-60.8-174.7000109.4A835 L837 P911 I913 A928 L933 I942 L1071A835-I930 HydrophobicContact CB-CG1 4.41Å; A835-I930 WeakPolarHBondContact O-CA 3.49Å; L837-I930 HydrophobicContact CD1-CG2 4.26Å; P911-I930 PolarHBondContact O-N 3.38Å; I913-I930 HydrophobicContact CB-CD1 4.2Å; I913-I930 HydrophobicContact CB-CG1 4.48Å; I913-I930 HydrophobicContact CD1-CB 4.19Å; I913-I930 HydrophobicContact CD1-CD1 4.01Å; I913-I930 HydrophobicContact CD1-CG1 4.43Å; I913-I930 HydrophobicContact CG2-CD1 4.4Å; A928-I930 HydrophobicContact CB-CD1 4.36Å; A928-I930 HydrophobicContact CB-CG1 4.29Å; I930-L933 HydrophobicContact CG2-CD1 3.96Å; I930-L933 HydrophobicContact CG2-CG 4.28Å; I930-I942 HydrophobicContact CD1-CD1 3.46Å; I930-I942 VanDerWaalsContact CD1-CD1 3.46Å; I930-I942 HydrophobicContact CD1-CG1 4.28Å; I930-I942 HydrophobicContact CG2-CD1 4.4Å; I930-L1071 HydrophobicContact CD1-CD1 4.36Å
931I47.9Very low57.9Low66 Ų6660.6 Ų60.634%0.33830%0.302SS..EExtended strand (participates in β ladder)trans-90.3122.3-171.6-48.4-174.9000109.6A835 V836 L837 V910 I929A835-I931 PolarHBondContact O-N 3.23Å; A835-I931 VanDerWaalsContact O-N 3.13Å; V836-I931 HydrophobicContact CG1-CB 4.38Å; V836-I931 HydrophobicContact CG2-CB 4.36Å; V836-I931 HydrophobicContact CG2-CD1 4.27Å; L837-I931 CarbonylContact C-O 3.6Å; L837-I931 PolarHBondContact N-O 2.93Å; V910-I931 HydrophobicContact CG1-CB 4.25Å; V910-I931 HydrophobicContact CG1-CG1 3.88Å; V910-I931 HydrophobicContact CG1-CG2 4.15Å; V910-I931 HydrophobicContact CG2-CG2 4.15Å; I929-I931 HydrophobicContact CG2-CD1 4.43Å; I929-I931 HydrophobicContact CG2-CG1 4.02Å
932G49.8Very low58.7Low29 Ų2954.7 Ų54.730%0.29926%0.261SS..THydrogen-bonded Turntrans109.31.8172.300000116.5L837 Q839L837-G932 CarbonylContact O-C 3.57Å; L837-G932 WeakPolarHBondContact O-CA 3.29Å; Q839-G932 WeakPolarHBondContact CG-O 3.45Å
933L57.1Low60Low11 Ų1153 Ų536%0.05825%0.246CC..  trans-108.3152169.7-60.1-177000111L837 P911 I930 M937 Y1029L837-L933 HydrophobicContact CB-CD2 4.39Å; L837-L933 HydrophobicContact CB-CG 4.32Å; L837-L933 HydrophobicContact CD1-CD1 3.77Å; L837-L933 HydrophobicContact CD1-CG 4.17Å; P911-L933 WeakPolarHBondContact CD-O 3.49Å; P911-L933 WeakPolarHBondContact CG-O 3.5Å; I930-L933 HydrophobicContact CG2-CD1 3.96Å; I930-L933 HydrophobicContact CG2-CG 4.28Å; L933-M937 HydrophobicContact CB-CB 4.27Å; L933-M937 HydrophobicContact CD2-CB 4.23Å; L933-Y1029 HydrophobicContact CD1-CD2 4.29Å; L933-Y1029 HydrophobicContact CD1-CE2 3.81Å; L933-Y1029 HydrophobicContact CD2-CE2 4.35Å
934N59.2Low60.9Low73 Ų7348.8 Ų48.839%0.3923%0.226SC..  trans-85168.1162.675.99.1000111E936 M937 A938N934-E936 VanDerWaalsContact C-N 3.25Å; N934-E936 PolarHBondContact O-N 3.21Å; N934-E936 PolarHBondContact OD1-N 3.06Å; N934-M937 PolarHBondContact O-N 2.94Å; N934-M937 WeakPolarHBondContact OD1-CB 3.47Å; N934-M937 VanDerWaalsContact OD1-CG 3.28Å; N934-M937 WeakPolarHBondContact OD1-CG 3.43Å; N934-M937 PolarHBondContact OD1-N 3.44Å; N934-A938 WeakPolarHBondContact O-CB 3.46Å; N934-A938 PolarHBondContact O-N 3.49Å
935I62.2Low61.8Low60 Ų6048.1 Ų48.131%0.30822%0.222SC..Hα-helixtrans-55.9-34.4-178.7-176.3171000113.9R939 L1004I935-R939 WeakPolarHBondContact O-CB 3.23Å; I935-R939 WeakPolarHBondContact O-CG 3.45Å; I935-R939 PolarHBondContact O-N 3.42Å; I935-L1004 HydrophobicContact CB-CD1 4.28Å; I935-L1004 HydrophobicContact CD1-CD1 3.87Å; I935-L1004 HydrophobicContact CD1-CD2 3.71Å; I935-L1004 HydrophobicContact CD1-CG 4.4Å; I935-L1004 HydrophobicContact CG1-CD1 3.75Å; I935-L1004 HydrophobicContact CG1-CD2 4.4Å
936E65.5Low62.8Low115 Ų11543.8 Ų43.854%0.53721%0.208SC..Hα-helixtrans-76.2-40.5-179.2-60.4-166.8169.500112.6N934 A938 R939 K940N934-E936 VanDerWaalsContact C-N 3.25Å; N934-E936 PolarHBondContact O-N 3.21Å; N934-E936 PolarHBondContact OD1-N 3.06Å; E936-A938 VanDerWaalsContact C-N 3.35Å; E936-R939 PolarHBondContact O-N 2.97Å; E936-K940 WeakPolarHBondContact O-CB 3.46Å; E936-K940 WeakPolarHBondContact O-CG 3.45Å; E936-K940 PolarHBondContact O-N 3.27Å
937M64.2Low63.6Low69 Ų6946.3 Ų46.334%0.3422%0.217SC..Hα-helixtrans-65.8-40.3172.5-70172.6178.600110.7Q839 L933 N934 R939 K940 H941Q839-M937 PolarHBondContact NE2-SD 3.09Å; L933-M937 HydrophobicContact CB-CB 4.27Å; L933-M937 HydrophobicContact CD2-CB 4.23Å; N934-M937 PolarHBondContact O-N 2.94Å; N934-M937 WeakPolarHBondContact OD1-CB 3.47Å; N934-M937 VanDerWaalsContact OD1-CG 3.28Å; N934-M937 WeakPolarHBondContact OD1-CG 3.43Å; N934-M937 PolarHBondContact OD1-N 3.44Å; M937-R939 VanDerWaalsContact C-N 3.35Å; M937-R939 PolarHBondContact O-N 3.48Å; M937-K940 PolarHBondContact O-N 3.28Å; M937-H941 WeakPolarHBondContact O-CB 3.39Å; M937-H941 PolarHBondContact O-CD2 3.04Å; M937-H941 VanDerWaalsContact O-CD2 3.23Å; M937-H941 PolarHBondContact O-N 2.74Å
938A65.3Low64.4Low0 Ų044.4 Ų44.40%021%0.21CC..Hα-helixtrans-54.7-50.7171.600000111.2I913 N934 E936 K940 I942 W984I913-A938 HydrophobicContact CD1-CB 3.72Å; N934-A938 WeakPolarHBondContact O-CB 3.46Å; N934-A938 PolarHBondContact O-N 3.49Å; E936-A938 VanDerWaalsContact C-N 3.35Å; A938-K940 VanDerWaalsContact C-N 3.35Å; A938-K940 PolarHBondContact O-N 3.07Å; A938-I942 HydrophobicContact CB-CD1 3.72Å; A938-I942 VanDerWaalsContact O-CB 3.27Å; A938-I942 WeakPolarHBondContact O-CB 3.42Å; A938-I942 WeakPolarHBondContact O-CD1 3.33Å; A938-I942 WeakPolarHBondContact O-CG1 3.21Å; A938-I942 PolarHBondContact O-N 2.9Å; A938-W984 HydrophobicContact CB-CH2 4.29Å; A938-W984 HydrophobicContact CB-CZ3 4.19Å; A938-W984 WeakPolarHBondContact O-CH2 3.2Å
939R69.7Low64.8Low108 Ų10846.5 Ų46.541%0.40822%0.223SC..Hα-helixtrans-62.2-33.5176.4-77.6170.9170.1170.7-1.6114.3I935 E936 M937 W984I935-R939 WeakPolarHBondContact O-CB 3.23Å; I935-R939 WeakPolarHBondContact O-CG 3.45Å; I935-R939 PolarHBondContact O-N 3.42Å; E936-R939 PolarHBondContact O-N 2.97Å; M937-R939 VanDerWaalsContact C-N 3.35Å; M937-R939 PolarHBondContact O-N 3.48Å; R939-W984 HydrophobicContact CB-CZ2 4.45Å; R939-W984 HydrophobicContact CG-CD2 3.55Å; R939-W984 HydrophobicContact CG-CE3 3.83Å; R939-W984 HydrophobicContact CG-CG 3.91Å; R939-W984 HydrophobicContact CG-CH2 4.32Å; R939-W984 HydrophobicContact CG-CZ2 4.1Å; R939-W984 HydrophobicContact CG-CZ3 4.2Å; R939-W984 PolarHBondContact NH2-O 3.31Å
940K69.5Low65.1Low115 Ų11547.9 Ų47.950%0.523%0.231SC..Hα-helixtrans-83.9-28.4-178-75.2173.4-177.5171.10114.8E936 M937 A938 W978E936-K940 WeakPolarHBondContact O-CB 3.46Å; E936-K940 WeakPolarHBondContact O-CG 3.45Å; E936-K940 PolarHBondContact O-N 3.27Å; M937-K940 PolarHBondContact O-N 3.28Å; A938-K940 VanDerWaalsContact C-N 3.35Å; A938-K940 PolarHBondContact O-N 3.07Å; K940-W978 WeakPolarHBondContact O-CH2 3.38Å; K940-W978 WeakPolarHBondContact O-CZ3 3.37Å
941H68.2Low65.2Low18 Ų1852.6 Ų52.68%0.08326%0.256CS..Hα-helixtrans-116.8-16.2-169.7-62.3-83.2000114.6M937 Y1029 C1030 D1035M937-H941 WeakPolarHBondContact O-CB 3.39Å; M937-H941 PolarHBondContact O-CD2 3.04Å; M937-H941 VanDerWaalsContact O-CD2 3.23Å; M937-H941 PolarHBondContact O-N 2.74Å; H941-Y1029 HydrophobicContact CB-CD2 3.76Å; H941-Y1029 HydrophobicContact CB-CE2 3.29Å; H941-Y1029 AromaticContact CG-CE2 3.97Å; H941-Y1029 AromaticContact CG-CZ 3.94Å; H941-Y1029 CarbonylContact O-C 3.56Å; H941-Y1029 WeakPolarHBondContact O-CA 3.41Å; H941-C1030 PolarHBondContact ND1-O 3.27Å; H941-C1030 WeakPolarHBondContact O-CB 3.3Å; H941-C1030 PolarHBondContact O-N 2.86Å; H941-D1035 IonicContact CE1-OD2 3.39Å; H941-D1035 PolarHBondContact CE1-OD2 3.35Å
942I72.5Confident65.2Low4 Ų457.2 Ų57.22%0.02128%0.28CS..EExtended strand (participates in β ladder)trans-88126.2179.5-61.2166.2000110.5I913 I930 A938 W984 I1027I913-I942 HydrophobicContact CD1-CD1 3.63Å; I930-I942 HydrophobicContact CD1-CD1 3.46Å; I930-I942 VanDerWaalsContact CD1-CD1 3.46Å; I930-I942 HydrophobicContact CD1-CG1 4.28Å; I930-I942 HydrophobicContact CG2-CD1 4.4Å; A938-I942 HydrophobicContact CB-CD1 3.72Å; A938-I942 VanDerWaalsContact O-CB 3.27Å; A938-I942 WeakPolarHBondContact O-CB 3.42Å; A938-I942 WeakPolarHBondContact O-CD1 3.33Å; A938-I942 WeakPolarHBondContact O-CG1 3.21Å; A938-I942 PolarHBondContact O-N 2.9Å; I942-W984 HydrophobicContact CB-CH2 4.25Å; I942-W984 HydrophobicContact CD1-CH2 4.14Å; I942-I1027 HydrophobicContact CG2-CG2 3.55Å
943C72.9Confident64.9Low1 Ų161.3 Ų61.31%0.00730%0.299CS..EExtended strand (participates in β ladder)trans-127159.2174.7660000111.6W978 G1028C943-W978 HydrophobicContact CB-CD2 4.11Å; C943-W978 HydrophobicContact CB-CE3 4.05Å; C943-W978 HydrophobicContact CB-CH2 4.29Å; C943-W978 HydrophobicContact CB-CZ2 4.3Å; C943-W978 HydrophobicContact CB-CZ3 4.14Å; C943-G1028 PolarHBondContact N-O 3.45Å; C943-G1028 PolarHBondContact O-N 3.21Å
944I75.2Confident63.9Low6 Ų665.8 Ų65.83%0.03133%0.331CS..EExtended strand (participates in β ladder)trans-85.6135.1171.8-50.3-179000107.7F915 H976 W977 I1010 L1025 G1026F915-I944 HydrophobicContact CD2-CD1 4.38Å; F915-I944 HydrophobicContact CE2-CD1 3.32Å; F915-I944 HydrophobicContact CE2-CG1 3.98Å; F915-I944 HydrophobicContact CZ-CD1 3.44Å; F915-I944 VanDerWaalsContact CZ-CD1 3.44Å; F915-I944 HydrophobicContact CZ-CG1 4.17Å; F915-I944 HydrophobicContact CZ-CG2 4.45Å; I944-H976 CarbonylContact O-C 3.18Å; I944-H976 WeakPolarHBondContact O-CA 3.31Å; I944-W977 HydrophobicContact CB-CE3 4.49Å; I944-W977 HydrophobicContact CD1-CE3 3.37Å; I944-W977 HydrophobicContact CD1-CZ3 3.52Å; I944-W977 HydrophobicContact CG1-CE3 4Å; I944-W977 HydrophobicContact CG1-CZ3 4.45Å; I944-W977 PolarHBondContact N-O 3.26Å; I944-W977 PolarHBondContact O-N 2.83Å; I944-I1010 HydrophobicContact CD1-CD1 3.73Å; I944-I1010 HydrophobicContact CG2-CD1 4.39Å; I944-L1025 HydrophobicContact CG2-CD2 4.45Å; I944-G1026 WeakPolarHBondContact CG2-O 3.33Å
945I75.8Confident62.7Low4 Ų471 Ų712%0.02135%0.353CS..EExtended strand (participates in β ladder)trans-112.2141.1173.357.2174000110.8L974 Y975 H976 L1025 G1026 I1068 P1070 L1077I945-L974 HydrophobicContact CB-CD2 4.41Å; I945-L974 HydrophobicContact CD1-CD2 4.48Å; I945-Y975 CarbonylContact C-O 3.24Å; I945-Y975 WeakPolarHBondContact CA-O 3.28Å; I945-H976 HydrophobicContact CG2-CB 4.41Å; I945-L1025 CarbonylContact O-C 3.59Å; I945-L1025 WeakPolarHBondContact O-CA 3.39Å; I945-G1026 VanDerWaalsContact CG1-C 3.49Å; I945-G1026 PolarHBondContact N-O 3.23Å; I945-G1026 PolarHBondContact O-N 2.9Å; I945-I1068 HydrophobicContact CG2-CG2 3.87Å; I945-P1070 HydrophobicContact CD1-CB 3.65Å; I945-L1077 HydrophobicContact CD1-CD2 4.04Å; I945-L1077 HydrophobicContact CG1-CD2 4.21Å
946F74.4Confident61.3Low52 Ų5275 Ų7523%0.22838%0.375CS..EExtended strand (participates in β ladder)trans-148.6154.9179.567.3-81.2000113.3Y975 W977 D1024 L1025F946-Y975 HydrophobicContact CE2-CD2 4.24Å; F946-Y975 HydrophobicContact CE2-CG 4.09Å; F946-Y975 HydrophobicContact CZ-CG 4.15Å; F946-Y975 PolarHBondContact N-O 2.91Å; F946-Y975 PolarHBondContact O-N 3.47Å; F946-W977 HydrophobicContact CE1-CB 4.17Å; F946-D1024 CarbonylContact C-O 3.42Å; F946-D1024 VanDerWaalsContact CA-O 3.23Å; F946-D1024 WeakPolarHBondContact CA-O 3.43Å; F946-L1025 HydrophobicContact CB-CD2 3.94Å; F946-L1025 HydrophobicContact CB-CG 4.07Å
947R73Confident59.7Low58 Ų5875.7 Ų75.722%0.21939%0.389CS..EExtended strand (participates in β ladder)trans-151.6155.3174.765.9174.7-163.4159.83.6112P949 K973 L974 D1024 I1074 L1077R947-P949 WeakPolarHBondContact O-CD 3.27Å; R947-K973 WeakPolarHBondContact CB-O 3.46Å; R947-L974 HydrophobicContact CB-CD2 4.48Å; R947-D1024 HydrophobicContact CG-CB 3.72Å; R947-D1024 IonicContact CZ-OD2 2.9Å; R947-D1024 VanDerWaalsContact CZ-OD2 3.24Å; R947-D1024 PolarHBondContact N-O 2.78Å; R947-D1024 IonicContact NE-OD2 3.22Å; R947-D1024 PolarHBondContact NE-OD2 3.07Å; R947-D1024 IonicContact NH2-OD2 3.17Å; R947-D1024 PolarHBondContact NH2-OD2 2.93Å; R947-D1024 PolarHBondContact O-N 3.03Å; R947-I1074 VanDerWaalsContact NH1-CG2 3.33Å; R947-L1077 HydrophobicContact CG-CD1 4.4Å
948R68.4Low58Low91 Ų9177.1 Ų77.134%0.34341%0.406SS..  trans-104.6100.2171-172.7176.3-174.5175.23.1109.7D950 T1022R948-D950 VanDerWaalsContact C-N 3.28Å; R948-D950 PolarHBondContact O-N 2.85Å; R948-T1022 WeakPolarHBondContact CG-O 3.48Å
949P62.2Low56.5Low46 Ų4684.1 Ų84.130%0.29945%0.449SS..THydrogen-bonded Turntrans-67.9-24.9-17627.9-35.8000113.7R947 L951 T1022R947-P949 WeakPolarHBondContact O-CD 3.27Å; P949-L951 PolarHBondContact O-N 3.36Å; P949-L951 VanDerWaalsContact O-N 3.16Å; P949-T1022 WeakPolarHBondContact CG-OG1 3.22Å
950D60.3Low54.5Low80 Ų8089.2 Ų89.243%0.42847%0.474SS..THydrogen-bonded Turntrans-70.2-7.9-177.7-51.6-37.7000114.4R948 L952 T1022R948-D950 VanDerWaalsContact C-N 3.28Å; R948-D950 PolarHBondContact O-N 2.85Å; D950-L952 PolarHBondContact O-N 2.82Å; D950-T1022 PolarHBondContact OD1-OG1 3.2Å; D950-T1022 WeakPolarHBondContact OD2-CA 3.47Å; D950-T1022 WeakPolarHBondContact OD2-CB 3.37Å; D950-T1022 PolarHBondContact OD2-N 2.87Å; D950-T1022 PolarHBondContact OD2-OG1 3.11Å
951L55.9Low52.7Low99 Ų9989.4 Ų89.452%0.51849%0.49SS..  trans-80.265.7-177.7-141.5104.3000111.7P949 K973P949-L951 PolarHBondContact O-N 3.36Å; P949-L951 VanDerWaalsContact O-N 3.16Å; L951-K973 PolarHBondContact O-NZ 2.9Å; L951-K973 VanDerWaalsContact O-NZ 3.09Å
952L48Very low50.9Low163 Ų16396.4 Ų96.485%0.85353%0.526SS*.PPolyproline II helixtrans-74117.7164-70.7174.5000108.6D950 S954D950-L952 PolarHBondContact O-N 2.82Å; L952-S954 PolarHBondContact O-N 3.27Å
953V44.3Very low48.8Very low115 Ų115103 Ų10370%0.69757%0.567SS**PPolyproline II helixtrans-71.2126-179.9176.20000109.1H955V953-H955 PolarHBondContact O-N 2.95Å
954S34.9Very low46.7Very low104 Ų104111.8 Ų111.873%0.72761%0.608SS**PPolyproline II helixtrans-65.8124.9172.341.80000110.6L952 N956L952-S954 PolarHBondContact O-N 3.27Å; S954-N956 PolarHBondContact O-N 3.42Å
955H35Very low44.5Very low182 Ų182117.3 Ų117.384%0.84364%0.637SS**  trans-72.6113.1174.8-82.3-79.4000110.8V953 P957V953-H955 PolarHBondContact O-N 2.95Å; H955-P957 WeakPolarHBondContact O-CD 3.47Å
956N32.8Very low42.3Very low145 Ų145124.8 Ų124.878%0.77568%0.677SS**  trans-75.6120.7157.2-87-11000108.9S954 S958S954-N956 PolarHBondContact O-N 3.42Å; N956-S958 PolarHBondContact O-N 3.09Å; N956-S958 VanDerWaalsContact O-N 3.11Å
957P32.3Very low40.4Very low129 Ų129127.7 Ų127.784%0.83870%0.7SS**  trans-9069.6-16835.8-36.7000112.8H955H955-P957 WeakPolarHBondContact O-CD 3.47Å
958S28.6Very low38.6Very low99 Ų99132.9 Ų132.969%0.69272%0.724SS**  trans-145.345.7-175.369.10000117N956N956-S958 PolarHBondContact O-N 3.09Å; N956-S958 VanDerWaalsContact O-N 3.11Å
959T33.1Very low37.1Very low147 Ų147134.1 Ų134.190%0.90274%0.737SS**  trans-162.3146.1149.914.40000110.4
960K27.4Very low36Very low215 Ų215136.9 Ų136.994%0.93575%0.748SS**  trans-115.2107.5176.6-79.2-177.7175.9177.60111.1
961S31.3Very low35.1Very low119 Ų119140.2 Ų140.283%0.83276%0.761SS**  trans-145.7151.9153.157.70000108.8
962I30.3Very low34.5Very low165 Ų165139.2 Ų139.285%0.84676%0.763SS**  trans-125.6120.1-170.6-59.9169.9000108.9
963T28.6Very low34.9Very low144 Ų144136.1 Ų136.188%0.88374%0.742SS**  trans-168.4156.8147.824.30000110.5
964H28.9Very low35.7Very low185 Ų185132.6 Ų132.686%0.85672%0.72SS**  trans-72.7138.5-176.1-65.4-67.8000113.8
965N29.7Very low37.3Very low121 Ų121134.4 Ų134.465%0.64771%0.711SS**  trans-159.838157.7-115.4-39.8000114.6T967N965-T967 PolarHBondContact O-N 3.13Å
966N28.3Very low39Very low161 Ų161129.6 Ų129.686%0.86169%0.689SS**THydrogen-bonded Turntrans-79.2-0.6-169.4-88.75.6000116.9
967T34.9Very low40.9Very low114 Ų114126.6 Ų126.670%0.69967%0.667SS**THydrogen-bonded Turntrans-99.3-23-17446.70000115.1N965 N969N965-T967 PolarHBondContact O-N 3.13Å; T967-N969 VanDerWaalsContact C-N 3.27Å; T967-N969 PolarHBondContact O-N 3.01Å
968K35Very low42.9Very low167 Ų167125.1 Ų125.173%0.72665%0.645SS**THydrogen-bonded Turntrans-79.21.5-176.8-73.4-178.7177.3172.20114.9
969N38Very low44.9Very low116 Ų116121 Ų12162%0.6262%0.616SS**THydrogen-bonded Turntrans-11424.2-168.5-122.6-17.6000114.9T967 S972T967-N969 VanDerWaalsContact C-N 3.27Å; T967-N969 PolarHBondContact O-N 3.01Å; N969-S972 PolarHBondContact O-OG 2.84Å; N969-S972 PolarHBondContact OD1-OG 3.28Å
970I39.6Very low46.7Very low104 Ų104116.9 Ų116.953%0.53359%0.591SS.*SBendtrans-92.1-35.3179.6-62.1177.8000112I1074I970-I1074 HydrophobicContact CG2-CD1 4.3Å
971Q40.3Very low48.7Very low150 Ų150111.9 Ų111.970%0.70158%0.584SS**G310 helixtrans-73.7-30.3177.4-74179.5-47.500112.9K973 L974Q971-K973 PolarHBondContact O-N 2.9Å; Q971-L974 PolarHBondContact O-N 2.86Å; Q971-L974 VanDerWaalsContact O-N 3.13Å
972S44.3Very low50.6Low78 Ų78112.3 Ų112.355%0.54558%0.576SS.*G310 helixtrans-67.2-1.2-179.450.90000115.3N969N969-S972 PolarHBondContact O-OG 2.84Å; N969-S972 PolarHBondContact OD1-OG 3.28Å
973K54.6Low52.5Low98 Ų98104.8 Ų104.843%0.42654%0.539SS..G310 helixtrans-1128174.4-68.4-167.1174.3-170.40114R947 L951 Q971R947-K973 WeakPolarHBondContact CB-O 3.46Å; L951-K973 PolarHBondContact O-NZ 2.9Å; L951-K973 VanDerWaalsContact O-NZ 3.09Å; Q971-K973 PolarHBondContact O-N 2.9Å
974L61.1Low54.5Low42 Ų4298.5 Ų98.522%0.2250%0.499CS..  trans-93.4107.6171.8-81.3161.8000109.8I945 R947 Q971 I1074 L1077I945-L974 HydrophobicContact CB-CD2 4.41Å; I945-L974 HydrophobicContact CD1-CD2 4.48Å; R947-L974 HydrophobicContact CB-CD2 4.48Å; Q971-L974 PolarHBondContact O-N 2.86Å; Q971-L974 VanDerWaalsContact O-N 3.13Å; L974-I1074 HydrophobicContact CD1-CD1 3.93Å; L974-I1074 HydrophobicContact CD1-CG1 4.31Å; L974-L1077 HydrophobicContact CD2-CD1 4.47Å
975Y69.7Low56.3Low141 Ų14193.5 Ų93.555%0.55348%0.475SS*.EExtended strand (participates in β ladder)trans-81.4154.5169.1-59.7-84.7000109.5I945 F946I945-Y975 CarbonylContact C-O 3.24Å; I945-Y975 WeakPolarHBondContact CA-O 3.28Å; F946-Y975 HydrophobicContact CE2-CD2 4.24Å; F946-Y975 HydrophobicContact CE2-CG 4.09Å; F946-Y975 HydrophobicContact CZ-CG 4.15Å; F946-Y975 PolarHBondContact N-O 2.91Å; F946-Y975 PolarHBondContact O-N 3.47Å
976H71.3Confident57.9Low81 Ų8193.5 Ų93.538%0.37547%0.471SS..EExtended strand (participates in β ladder)trans-129.5153.917571.4-91.1000111.4I944 I945 W978 I1068I944-H976 CarbonylContact O-C 3.18Å; I944-H976 WeakPolarHBondContact O-CA 3.31Å; I945-H976 HydrophobicContact CG2-CB 4.41Å; H976-W978 AromaticContact CD2-CD1 3.83Å; H976-W978 AromaticContact CD2-NE1 3.4Å; H976-W978 PolarHBondContact CD2-NE1 2.98Å; H976-W978 AromaticContact NE2-NE1 3.47Å; H976-W978 PolarHBondContact NE2-NE1 2.64Å; H976-I1068 HydrophobicContact CB-CD1 3.54Å; H976-I1068 VanDerWaalsContact ND1-CD1 3.33Å; H976-I1068 WeakPolarHBondContact ND1-CD1 3.41Å
977W72.3Confident59.4Low83 Ų8387 Ų8731%0.31444%0.436SS..EExtended strand (participates in β ladder)trans-140.5143.3177.6-177.493.1000110.3I944 F946 P979 P980 T1008I944-W977 HydrophobicContact CB-CE3 4.49Å; I944-W977 HydrophobicContact CD1-CE3 3.37Å; I944-W977 HydrophobicContact CD1-CZ3 3.52Å; I944-W977 HydrophobicContact CG1-CE3 4Å; I944-W977 HydrophobicContact CG1-CZ3 4.45Å; I944-W977 PolarHBondContact N-O 3.26Å; I944-W977 PolarHBondContact O-N 2.83Å; F946-W977 HydrophobicContact CE1-CB 4.17Å; W977-P979 VanDerWaalsContact CZ3-CA 3.43Å; W977-P979 HydrophobicContact CZ3-CB 4.04Å; W977-P980 VanDerWaalsContact CH2-CD 3.45Å; W977-P980 HydrophobicContact CH2-CG 4.5Å; W977-T1008 HydrophobicContact CH2-CG2 3.82Å; W977-T1008 HydrophobicContact CZ3-CG2 3.64Å
978W73.4Confident60.3Low98 Ų9888.4 Ų88.437%0.37144%0.44SS..PPolyproline II helixtrans-102.7120.1-173.9-75.1101.7000111.1K940 C943 H976 C1030K940-W978 WeakPolarHBondContact O-CH2 3.38Å; K940-W978 WeakPolarHBondContact O-CZ3 3.37Å; C943-W978 HydrophobicContact CB-CD2 4.11Å; C943-W978 HydrophobicContact CB-CE3 4.05Å; C943-W978 HydrophobicContact CB-CH2 4.29Å; C943-W978 HydrophobicContact CB-CZ2 4.3Å; C943-W978 HydrophobicContact CB-CZ3 4.14Å; H976-W978 AromaticContact CD2-CD1 3.83Å; H976-W978 AromaticContact CD2-NE1 3.4Å; H976-W978 PolarHBondContact CD2-NE1 2.98Å; H976-W978 AromaticContact NE2-NE1 3.47Å; H976-W978 PolarHBondContact NE2-NE1 2.64Å; W978-C1030 HydrophobicContact CH2-CB 3.49Å; W978-C1030 VanDerWaalsContact CH2-CB 3.49Å; W978-C1030 HydrophobicContact CZ2-CB 3.76Å
979P70.8Confident61.1Low13 Ų1387.1 Ų87.18%0.08444%0.436CS..PPolyproline II helixtrans-65.1122.717726.1-33.1000110.7W977 S983 W984 I1006 T1008W977-P979 VanDerWaalsContact CZ3-CA 3.43Å; W977-P979 HydrophobicContact CZ3-CB 4.04Å; P979-S983 WeakPolarHBondContact CB-OG 3.35Å; P979-W984 HydrophobicContact CG-CZ2 3.88Å; P979-I1006 HydrophobicContact CB-CG2 4.04Å; P979-T1008 HydrophobicContact CB-CG2 3.88Å
980P71.4Confident61.2Low60 Ų6089.3 Ų89.339%0.3945%0.448SS..PPolyproline II helixtrans-65.5152.4-17928.6-35.5000110.8W977 N982 S983W977-P980 VanDerWaalsContact CH2-CD 3.45Å; W977-P980 HydrophobicContact CH2-CG 4.5Å; P980-N982 WeakPolarHBondContact CB-OD1 3.25Å; P980-N982 WeakPolarHBondContact CG-OD1 3.46Å; P980-N982 PolarHBondContact O-N 3.45Å; P980-S983 WeakPolarHBondContact O-CB 3.4Å; P980-S983 PolarHBondContact O-N 3.31Å; P980-S983 PolarHBondContact O-OG 2.9Å
981S68.6Low61Low110 Ų11091.2 Ų91.277%0.76947%0.465SS*.G310 helixtrans-54-30-168.3-41.60000114.8
982N71.5Confident60.9Low127 Ų12790.4 Ų90.468%0.67947%0.471SS*.G310 helixtrans-80-10.9179.963.7-23.9000114.9P980 W984 H985P980-N982 WeakPolarHBondContact CB-OD1 3.25Å; P980-N982 WeakPolarHBondContact CG-OD1 3.46Å; P980-N982 PolarHBondContact O-N 3.45Å; N982-W984 VanDerWaalsContact C-N 3.3Å; N982-H985 PolarHBondContact O-CE1 3.24Å
983S69.6Low60.4Low8 Ų892.3 Ų92.36%0.05648%0.484CS..G310 helixtrans-82.3-3.9179.663.70000114.4P979 P980 H985 I1006 R1007P979-S983 WeakPolarHBondContact CB-OG 3.35Å; P980-S983 WeakPolarHBondContact O-CB 3.4Å; P980-S983 PolarHBondContact O-N 3.31Å; P980-S983 PolarHBondContact O-OG 2.9Å; S983-H985 PolarHBondContact O-CD2 3.41Å; S983-I1006 CarbonylContact O-C 3.48Å; S983-I1006 WeakPolarHBondContact O-CA 3.39Å; S983-R1007 VanDerWaalsContact CB-O 3.31Å; S983-R1007 WeakPolarHBondContact CB-O 3.48Å; S983-R1007 PolarHBondContact O-N 3.4Å
984W71.1Confident59.5Low12 Ų1292.6 Ų92.65%0.04550%0.498CS..EExtended strand (participates in β ladder)trans-98.491.9-178-6880.2000110.8I913 A938 R939 I942 P979 N982 I1006I913-W984 HydrophobicContact CD1-CZ3 4.04Å; I913-W984 HydrophobicContact CG2-CZ3 4.46Å; A938-W984 HydrophobicContact CB-CH2 4.29Å; A938-W984 HydrophobicContact CB-CZ3 4.19Å; A938-W984 WeakPolarHBondContact O-CH2 3.2Å; R939-W984 HydrophobicContact CB-CZ2 4.45Å; R939-W984 HydrophobicContact CG-CD2 3.55Å; R939-W984 HydrophobicContact CG-CE3 3.83Å; R939-W984 HydrophobicContact CG-CG 3.91Å; R939-W984 HydrophobicContact CG-CH2 4.32Å; R939-W984 HydrophobicContact CG-CZ2 4.1Å; R939-W984 HydrophobicContact CG-CZ3 4.2Å; R939-W984 PolarHBondContact NH2-O 3.31Å; I942-W984 HydrophobicContact CB-CH2 4.25Å; I942-W984 HydrophobicContact CD1-CH2 4.14Å; P979-W984 HydrophobicContact CG-CZ2 3.88Å; N982-W984 VanDerWaalsContact C-N 3.3Å; W984-I1006 HydrophobicContact CD2-CD1 4.34Å; W984-I1006 HydrophobicContact CD2-CG1 3.81Å; W984-I1006 HydrophobicContact CE3-CD1 4.1Å; W984-I1006 HydrophobicContact CE3-CG1 3.63Å; W984-I1006 HydrophobicContact CH2-CD1 3.43Å; W984-I1006 VanDerWaalsContact CH2-CD1 3.43Å; W984-I1006 HydrophobicContact CH2-CG1 3.94Å; W984-I1006 HydrophobicContact CZ2-CD1 3.68Å; W984-I1006 HydrophobicContact CZ2-CG1 4.09Å; W984-I1006 HydrophobicContact CZ3-CD1 3.65Å; W984-I1006 HydrophobicContact CZ3-CG1 3.71Å
985H67.1Low58.1Low79 Ų7995.3 Ų95.337%0.36652%0.52SS..EExtended strand (participates in β ladder)trans-91.6150.9178.5-53.1-76.1000111.1N982 S983 L1004 E1005N982-H985 PolarHBondContact O-CE1 3.24Å; S983-H985 PolarHBondContact O-CD2 3.41Å; H985-L1004 WeakPolarHBondContact O-CA 3.27Å; H985-E1005 PolarHBondContact N-O 2.97Å; H985-E1005 PolarHBondContact O-N 3.44Å
986Q62.6Low56.5Low121 Ų12195.7 Ų95.757%0.56554%0.538SS*.EExtended strand (participates in β ladder)trans-73.3146.6162.1-164.1158.312.400108.4D988 D1002Q986-D988 PolarHBondContact O-N 3.46Å; Q986-D1002 PolarHBondContact NE2-OD1 3.04Å
987L60.4Low54.6Low24 Ų2497 Ų9713%0.12656%0.556CS.*  trans-84.3108.3179.7-171.387.5000109.4R914 E989 H1003 E1005R914-L987 VanDerWaalsContact NH1-CD2 3.29Å; L987-E989 PolarHBondContact O-N 3.37Å; L987-H1003 HydrophobicContact CB-CB 3.65Å; L987-H1003 HydrophobicContact CD2-CB 3.83Å; L987-H1003 HydrophobicContact CG-CB 4.39Å; L987-H1003 PolarHBondContact N-O 3.36Å; L987-E1005 HydrophobicContact CD1-CB 4.19Å
988D53.3Low52.7Low144 Ų144100.4 Ų100.477%0.7758%0.579SS**  trans-63.9121.4165.5-58.8-53.6000108.9Q986Q986-D988 PolarHBondContact O-N 3.46Å
989E51.8Low51Low140 Ų140101.7 Ų101.765%0.65459%0.592SS**  trans-79.2134.7169-67.2-155.2121.700110.3L987 T991L987-E989 PolarHBondContact O-N 3.37Å; E989-T991 PolarHBondContact O-N 3.42Å
990D41.3Very low49.5Very low162 Ų162107.9 Ų107.987%0.86662%0.624SS**  trans-60.6105.3179.2-73-57.2000110.4T992D990-T992 PolarHBondContact O-N 3.5Å
991T34.2Very low48.5Very low144 Ų144110.2 Ų110.288%0.88363%0.63SS**  trans-7695.8-165.623.10000112.5E989E989-T991 PolarHBondContact O-N 3.42Å
992T37.7Very low47.7Very low134 Ų134108.6 Ų108.682%0.82261%0.612SS**  trans-109.9122.4160.947.40000110.1D990D990-T992 PolarHBondContact O-N 3.5Å
993S34.5Very low47.1Very low118 Ų118104.3 Ų104.383%0.82559%0.588SS**  trans-57.4151.4178.943.60000113.5
994S35.5Very low46.6Very low103 Ų103104.1 Ų104.172%0.7259%0.587SS**  cis-160151.111.840.50000114.5
995S31.9Very low46.2Very low99 Ų99104.2 Ų104.269%0.69259%0.587SS**  trans51.398.9145.663.80000120.1
996T35.2Very low46.1Very low150 Ų150100.6 Ų100.692%0.9257%0.571SS**  -158.6154.295.415.50000110.4
997S32.3Very low46Very low107 Ų107101.2 Ų101.275%0.74857%0.568SS**  trans-89.8138.9-165.654.80000114.1
998I31.5Very low46.1Very low155 Ų155100.3 Ų100.380%0.79556%0.564SS**  trans-178.9137.1131.2-96.6155.5000111
999I39Very low46.4Very low126 Ų12698.2 Ų98.265%0.64655%0.549SS*.  trans67.3115.4174.7-66.2156.1000117.1
1000N39.9Very low46.9Very low142 Ų14292.3 Ų92.376%0.75952%0.522SS*.  trans-68.2142.3163.2-61.8-1.1000110.6
1001Q50.4Low47.6Very low110 Ų11091.4 Ų91.451%0.51451%0.512SS..  trans-114.8123.8165.1-65.8-174.445.800109.5H1003Q1001-H1003 VanDerWaalsContact C-N 3.27Å; Q1001-H1003 WeakPolarHBondContact CB-NE2 3.32Å; Q1001-H1003 PolarHBondContact O-CD2 2.97Å; Q1001-H1003 PolarHBondContact O-N 3.33Å
1002D51.8Low48.6Very low76 Ų7687.2 Ų87.241%0.40648%0.484SS..  trans-80.873.4179.5-71.9-30.3000111Q986Q986-D1002 PolarHBondContact NE2-OD1 3.04Å
1003H58.4Low49.2Very low36 Ų3687.1 Ų87.117%0.16748%0.483CS..  trans-67.8136168.6-64.3-94.9000110.1E912 L987 Q1001E912-H1003 IonicContact OE2-CE1 3.8Å; E912-H1003 IonicContact OE2-ND1 2.68Å; E912-H1003 PolarHBondContact OE2-ND1 3.37Å; L987-H1003 HydrophobicContact CB-CB 3.65Å; L987-H1003 HydrophobicContact CD2-CB 3.83Å; L987-H1003 HydrophobicContact CG-CB 4.39Å; L987-H1003 PolarHBondContact N-O 3.36Å; Q1001-H1003 VanDerWaalsContact C-N 3.27Å; Q1001-H1003 WeakPolarHBondContact CB-NE2 3.32Å; Q1001-H1003 PolarHBondContact O-CD2 2.97Å; Q1001-H1003 PolarHBondContact O-N 3.33Å
1004L59.5Low50Low5 Ų583.6 Ų83.63%0.02646%0.461CS..EExtended strand (participates in β ladder)trans-124.5140.3-175.6-69158.5000111.4P911 E912 I913 R914 I935 H985P911-L1004 HydrophobicContact CB-CD1 4.19Å; E912-L1004 PolarHBondContact O-N 3.34Å; I913-L1004 WeakPolarHBondContact CA-O 3.49Å; I913-L1004 HydrophobicContact CG1-CB 4.33Å; R914-L1004 PolarHBondContact N-O 3.29Å; I935-L1004 HydrophobicContact CB-CD1 4.28Å; I935-L1004 HydrophobicContact CD1-CD1 3.87Å; I935-L1004 HydrophobicContact CD1-CD2 3.71Å; I935-L1004 HydrophobicContact CD1-CG 4.4Å; I935-L1004 HydrophobicContact CG1-CD1 3.75Å; I935-L1004 HydrophobicContact CG1-CD2 4.4Å; H985-L1004 WeakPolarHBondContact O-CA 3.27Å
1005E62.1Low50.5Low13 Ų1382.1 Ų82.16%0.06146%0.463CS..EExtended strand (participates in β ladder)trans-118.7118.3167.1-165.4-179160.100111R914 T916 H985 L987 R1007R914-E1005 HydrophobicContact CB-CB 4.32Å; R914-E1005 HydrophobicContact CB-CG 3.91Å; R914-E1005 CarbonylContact O-C 3.06Å; R914-E1005 VanDerWaalsContact O-CA 3.3Å; R914-E1005 WeakPolarHBondContact O-CA 3.38Å; R914-E1005 WeakPolarHBondContact O-CG 3.5Å; T916-E1005 WeakPolarHBondContact CB-OE1 3.33Å; T916-E1005 PolarHBondContact OG1-OE1 3.44Å; H985-E1005 PolarHBondContact N-O 2.97Å; H985-E1005 PolarHBondContact O-N 3.44Å; L987-E1005 HydrophobicContact CD1-CB 4.19Å; E1005-R1007 HydrophobicContact CB-CG 4.5Å; E1005-R1007 HydrophobicContact CG-CG 3.79Å; E1005-R1007 PolarHBondContact O-N 3.45Å; E1005-R1007 VanDerWaalsContact OE1-CG 3.28Å; E1005-R1007 WeakPolarHBondContact OE1-CG 3.39Å; E1005-R1007 IonicContact OE1-CZ 3.03Å; E1005-R1007 IonicContact OE1-NE 2.72Å; E1005-R1007 PolarHBondContact OE1-NE 3.07Å; E1005-R1007 IonicContact OE1-NH2 3.24Å; E1005-R1007 IonicContact OE2-CZ 3.02Å; E1005-R1007 VanDerWaalsContact OE2-CZ 3.26Å; E1005-R1007 IonicContact OE2-NE 3.98Å; E1005-R1007 PolarHBondContact OE2-NE 3.05Å; E1005-R1007 IonicContact OE2-NH2 3.96Å; E1005-R1007 PolarHBondContact OE2-NH2 3.22Å
1006I65.1Low51.2Low4 Ų486.1 Ų86.12%0.02146%0.463CS..EExtended strand (participates in β ladder)trans-80.1105.5165.4-56.9170.5000107.3I913 R914 F915 T916 P979 S983 W984 T1008I913-I1006 HydrophobicContact CG2-CD1 3.46Å; I913-I1006 VanDerWaalsContact CG2-CD1 3.46Å; I913-I1006 HydrophobicContact CG2-CG1 3.96Å; R914-I1006 PolarHBondContact O-N 3.12Å; F915-I1006 HydrophobicContact CD2-CB 3.99Å; F915-I1006 HydrophobicContact CD2-CG2 3.74Å; F915-I1006 HydrophobicContact CE2-CG2 4.14Å; T916-I1006 PolarHBondContact N-O 3.34Å; P979-I1006 HydrophobicContact CB-CG2 4.04Å; S983-I1006 CarbonylContact O-C 3.48Å; S983-I1006 WeakPolarHBondContact O-CA 3.39Å; W984-I1006 HydrophobicContact CD2-CD1 4.34Å; W984-I1006 HydrophobicContact CD2-CG1 3.81Å; W984-I1006 HydrophobicContact CE3-CD1 4.1Å; W984-I1006 HydrophobicContact CE3-CG1 3.63Å; W984-I1006 HydrophobicContact CH2-CD1 3.43Å; W984-I1006 VanDerWaalsContact CH2-CD1 3.43Å; W984-I1006 HydrophobicContact CH2-CG1 3.94Å; W984-I1006 HydrophobicContact CZ2-CD1 3.68Å; W984-I1006 HydrophobicContact CZ2-CG1 4.09Å; W984-I1006 HydrophobicContact CZ3-CD1 3.65Å; W984-I1006 HydrophobicContact CZ3-CG1 3.71Å; I1006-T1008 HydrophobicContact CG2-CG2 3.58Å
1007R61.3Low52Low134 Ų13481.6 Ų81.651%0.50643%0.429SS..EExtended strand (participates in β ladder)trans-104.6106.3172.9-65.7-174.7178152.210.5109.4S983 E1005S983-R1007 VanDerWaalsContact CB-O 3.31Å; S983-R1007 WeakPolarHBondContact CB-O 3.48Å; S983-R1007 PolarHBondContact O-N 3.4Å; E1005-R1007 HydrophobicContact CB-CG 4.5Å; E1005-R1007 HydrophobicContact CG-CG 3.79Å; E1005-R1007 PolarHBondContact O-N 3.45Å; E1005-R1007 VanDerWaalsContact OE1-CG 3.28Å; E1005-R1007 WeakPolarHBondContact OE1-CG 3.39Å; E1005-R1007 IonicContact OE1-CZ 3.03Å; E1005-R1007 IonicContact OE1-NE 2.72Å; E1005-R1007 PolarHBondContact OE1-NE 3.07Å; E1005-R1007 IonicContact OE1-NH2 3.24Å; E1005-R1007 IonicContact OE2-CZ 3.02Å; E1005-R1007 VanDerWaalsContact OE2-CZ 3.26Å; E1005-R1007 IonicContact OE2-NE 3.98Å; E1005-R1007 PolarHBondContact OE2-NE 3.05Å; E1005-R1007 IonicContact OE2-NH2 3.96Å; E1005-R1007 PolarHBondContact OE2-NH2 3.22Å
1008T62.5Low52.9Low5 Ų580.5 Ų80.53%0.03142%0.421CS..EExtended strand (participates in β ladder)trans-125.6128.7-177.862.80000112F915 T916 I918 W977 P979 I1006F915-T1008 HydrophobicContact CE2-CG2 4.45Å; F915-T1008 WeakPolarHBondContact CE2-OG1 3.35Å; T916-T1008 PolarHBondContact O-N 3.39Å; I918-T1008 PolarHBondContact N-O 3.09Å; W977-T1008 HydrophobicContact CH2-CG2 3.82Å; W977-T1008 HydrophobicContact CZ3-CG2 3.64Å; P979-T1008 HydrophobicContact CB-CG2 3.88Å; I1006-T1008 HydrophobicContact CG2-CG2 3.58Å
1009H59.5Low53.9Low100 Ų10078.6 Ų78.646%0.46341%0.412SS..EExtended strand (participates in β ladder)trans-80.8125.7165.8-157.8-114.1000109E1011H1009-E1011 IonicContact CE1-OE1 2.87Å; H1009-E1011 PolarHBondContact CE1-OE1 3.26Å; H1009-E1011 VanDerWaalsContact ND1-CG 3.27Å; H1009-E1011 WeakPolarHBondContact ND1-CG 3.18Å; H1009-E1011 IonicContact ND1-OE1 3.18Å; H1009-E1011 PolarHBondContact ND1-OE1 3.42Å
1010I60.6Low54.9Low16 Ų1674.8 Ų74.88%0.08240%0.397CS..  trans-116.494.5177.4-53.2179.1000108.2F915 A917 I918 I944 L1012 L1025F915-I1010 HydrophobicContact CZ-CD1 4.39Å; A917-I1010 HydrophobicContact CB-CD1 4.41Å; I918-I1010 PolarHBondContact O-N 3.31Å; I944-I1010 HydrophobicContact CD1-CD1 3.73Å; I944-I1010 HydrophobicContact CG2-CD1 4.39Å; I1010-L1012 HydrophobicContact CG2-CD2 3.87Å; I1010-L1012 HydrophobicContact CG2-CG 4.12Å; I1010-L1012 PolarHBondContact O-N 3.28Å; I1010-L1025 HydrophobicContact CD1-CD2 4.42Å
1011E56.8Low55.9Low142 Ų14268 Ų6866%0.66436%0.361SS*.  trans-77.9109.7174.7-63.1-167.1175.500110.5H1009H1009-E1011 IonicContact CE1-OE1 2.87Å; H1009-E1011 PolarHBondContact CE1-OE1 3.26Å; H1009-E1011 VanDerWaalsContact ND1-CG 3.27Å; H1009-E1011 WeakPolarHBondContact ND1-CG 3.18Å; H1009-E1011 IonicContact ND1-OE1 3.18Å; H1009-E1011 PolarHBondContact ND1-OE1 3.42Å
1012L56.2Low56.6Low57 Ų5764.3 Ų64.330%0.29835%0.346SS..  trans-97.990.6174.3-61.5178.8000108.9I919 I1010 A1014 I1023I919-L1012 HydrophobicContact CD1-CD1 4.48Å; I919-L1012 HydrophobicContact CG2-CD1 4.31Å; I1010-L1012 HydrophobicContact CG2-CD2 3.87Å; I1010-L1012 HydrophobicContact CG2-CG 4.12Å; I1010-L1012 PolarHBondContact O-N 3.28Å; L1012-A1014 PolarHBondContact O-N 3.2Å; L1012-I1023 HydrophobicContact CD1-CD1 3.49Å; L1012-I1023 VanDerWaalsContact CD1-CD1 3.49Å
1013T50.2Low57.6Low131 Ų13161.3 Ų61.380%0.80433%0.33SS*.  trans-69.4110.3179.842.50000111.3G1015T1013-G1015 PolarHBondContact O-N 2.66Å
1014A50Low58.3Low44 Ų4459.6 Ų59.636%0.36432%0.322SS..  trans-90.490.2-168.600000113.2L1012 R1016 W1017L1012-A1014 PolarHBondContact O-N 3.2Å; A1014-R1016 PolarHBondContact O-N 3.16Å; A1014-W1017 HydrophobicContact CB-CD2 3.59Å; A1014-W1017 VanDerWaalsContact CB-CE2 3.5Å; A1014-W1017 HydrophobicContact CB-CE3 4.1Å; A1014-W1017 HydrophobicContact CB-CG 3.81Å; A1014-W1017 HydrophobicContact CB-CH2 4.38Å; A1014-W1017 HydrophobicContact CB-CZ2 3.93Å; A1014-W1017 HydrophobicContact CB-CZ3 4.46Å
1015G45.7Very low58.8Low73 Ų7359.6 Ų59.675%0.75332%0.322SS*.SBendtrans-67.1112161.900000110.9T1013T1013-G1015 PolarHBondContact O-N 2.66Å
1016R47.9Very low59.2Low182 Ų18259 Ų5969%0.68732%0.319SS*.  trans55.383.8177.5-73.5-177.5161.2145.2-2.9115.6A1014 W1091A1014-R1016 PolarHBondContact O-N 3.16Å; R1016-W1091 HydrophobicContact CB-CE3 4.36Å; R1016-W1091 HydrophobicContact CG-CE3 3.99Å; R1016-W1091 VanDerWaalsContact CZ-OXT 3.3Å; R1016-W1091 PolarHBondContact NE-OXT 3.26Å; R1016-W1091 PolarHBondContact NH2-OXT 3.46Å
1017W52.1Low59.5Low56 Ų5659.1 Ų59.121%0.21232%0.319CS..  trans-111.991.9164.8-73.114.6000110.3A1014 I1023 L1082A1014-W1017 HydrophobicContact CB-CD2 3.59Å; A1014-W1017 VanDerWaalsContact CB-CE2 3.5Å; A1014-W1017 HydrophobicContact CB-CE3 4.1Å; A1014-W1017 HydrophobicContact CB-CG 3.81Å; A1014-W1017 HydrophobicContact CB-CH2 4.38Å; A1014-W1017 HydrophobicContact CB-CZ2 3.93Å; A1014-W1017 HydrophobicContact CB-CZ3 4.46Å; W1017-I1023 HydrophobicContact CH2-CD1 4.37Å; W1017-L1082 HydrophobicContact CH2-CB 4.41Å; W1017-L1082 HydrophobicContact CH2-CD1 3.45Å; W1017-L1082 VanDerWaalsContact CH2-CD1 3.45Å; W1017-L1082 HydrophobicContact CZ3-CB 3.74Å; W1017-L1082 HydrophobicContact CZ3-CD1 3.61Å; W1017-L1082 HydrophobicContact CZ3-CG 4.3Å
1018S50Low59.9Low83 Ų8352.7 Ų52.758%0.5830%0.295SS*.  trans-71.8-34.6168.147.40000112.5
1019D53.1Low60.2Low115 Ų11554 Ų5462%0.61530%0.3SS*.SBendtrans-123.9155.6-167.6-62.1-84.7000112.3G1021D1019-G1021 PolarHBondContact O-N 3.16Å; D1019-G1021 VanDerWaalsContact O-N 3.1Å
1020S59.9Low60.6Low46 Ų4649.4 Ų49.432%0.32228%0.279SS..  trans-65.4109.9179.664.70000111.9K1081 L1082S1020-K1081 VanDerWaalsContact CB-CE 3.43Å; S1020-K1081 WeakPolarHBondContact OG-CE 3.41Å; S1020-K1081 PolarHBondContact OG-NZ 3.18Å; S1020-L1082 CarbonylContact C-O 3.5Å; S1020-L1082 WeakPolarHBondContact CA-O 3.46Å; S1020-L1082 WeakPolarHBondContact CB-O 3.48Å
1021G62.1Low60.5Low1 Ų151.1 Ų51.11%0.0129%0.288CS..EExtended strand (participates in β ladder)trans-91.6144179.700000113.3D1019 L1082D1019-G1021 PolarHBondContact O-N 3.16Å; D1019-G1021 VanDerWaalsContact O-N 3.1Å; G1021-L1082 PolarHBondContact N-O 2.8Å; G1021-L1082 VanDerWaalsContact N-O 3.16Å; G1021-L1082 PolarHBondContact O-N 3.29Å
1022T64.7Low60.3Low32 Ų3248 Ų4820%0.19627%0.274CS..EExtended strand (participates in β ladder)trans-102.6144.7169.868.30000111.4R948 P949 D950 V1080 K1081R948-T1022 WeakPolarHBondContact CG-O 3.48Å; P949-T1022 WeakPolarHBondContact CG-OG1 3.22Å; D950-T1022 PolarHBondContact OD1-OG1 3.2Å; D950-T1022 WeakPolarHBondContact OD2-CA 3.47Å; D950-T1022 WeakPolarHBondContact OD2-CB 3.37Å; D950-T1022 PolarHBondContact OD2-N 2.87Å; D950-T1022 PolarHBondContact OD2-OG1 3.11Å; T1022-V1080 CarbonylContact C-O 3.56Å; T1022-V1080 VanDerWaalsContact CA-O 3.27Å; T1022-V1080 WeakPolarHBondContact CA-O 3.34Å; T1022-K1081 HydrophobicContact CG2-CB 4.03Å; T1022-K1081 HydrophobicContact CG2-CD 4.36Å; T1022-K1081 HydrophobicContact CG2-CG 3.96Å
1023I71.9Confident59.8Low13 Ų1349.3 Ų49.37%0.06729%0.285CS..EExtended strand (participates in β ladder)trans-133130.7177.2-54.6-175.6000108L1012 W1017 L1025 V1080 L1082L1012-I1023 HydrophobicContact CD1-CD1 3.49Å; L1012-I1023 VanDerWaalsContact CD1-CD1 3.49Å; W1017-I1023 HydrophobicContact CH2-CD1 4.37Å; I1023-L1025 HydrophobicContact CB-CD1 4.4Å; I1023-L1025 HydrophobicContact CG2-CD1 3.85Å; I1023-L1025 HydrophobicContact CG2-CG 4.11Å; I1023-V1080 PolarHBondContact N-O 3.01Å; I1023-V1080 PolarHBondContact O-N 3.38Å; I1023-L1082 HydrophobicContact CD1-CD1 3.87Å; I1023-L1082 HydrophobicContact CG1-CD1 4.46Å
1024D72.3Confident59.5Low0 Ų047.4 Ų47.40%027%0.273CS..EExtended strand (participates in β ladder)trans-98.3125174-68.41.7000108.3F946 R947 L1077 S1078 K1079F946-D1024 CarbonylContact C-O 3.42Å; F946-D1024 VanDerWaalsContact CA-O 3.23Å; F946-D1024 WeakPolarHBondContact CA-O 3.43Å; R947-D1024 HydrophobicContact CG-CB 3.72Å; R947-D1024 IonicContact CZ-OD2 2.9Å; R947-D1024 VanDerWaalsContact CZ-OD2 3.24Å; R947-D1024 PolarHBondContact N-O 2.78Å; R947-D1024 IonicContact NE-OD2 3.22Å; R947-D1024 PolarHBondContact NE-OD2 3.07Å; R947-D1024 IonicContact NH2-OD2 3.17Å; R947-D1024 PolarHBondContact NH2-OD2 2.93Å; R947-D1024 PolarHBondContact O-N 3.03Å; D1024-L1077 HydrophobicContact CB-CB 3.77Å; D1024-L1077 HydrophobicContact CB-CD1 3.84Å; D1024-L1077 HydrophobicContact CB-CG 4.46Å; D1024-S1078 WeakPolarHBondContact CA-O 3.32Å; D1024-K1079 WeakPolarHBondContact OD1-CE 3.34Å; D1024-K1079 WeakPolarHBondContact OD1-CG 3.44Å; D1024-K1079 IonicContact OD1-NZ 3.35Å; D1024-K1079 PolarHBondContact OD1-NZ 3.49Å; D1024-K1079 IonicContact OD2-NZ 3.04Å; D1024-K1079 PolarHBondContact OD2-NZ 3.11Å
1025L71.6Confident59.1Low4 Ų448.8 Ų48.82%0.02128%0.275CS..EExtended strand (participates in β ladder)trans-122.4153.7-179.3-71.5121.1000113.3I919 I944 I945 F946 I1010 I1023 L1077 S1078 V1080I919-L1025 HydrophobicContact CD1-CD1 3.6Å; I919-L1025 HydrophobicContact CD1-CD2 4.24Å; I944-L1025 HydrophobicContact CG2-CD2 4.45Å; I945-L1025 CarbonylContact O-C 3.59Å; I945-L1025 WeakPolarHBondContact O-CA 3.39Å; F946-L1025 HydrophobicContact CB-CD2 3.94Å; F946-L1025 HydrophobicContact CB-CG 4.07Å; I1010-L1025 HydrophobicContact CD1-CD2 4.42Å; I1023-L1025 HydrophobicContact CB-CD1 4.4Å; I1023-L1025 HydrophobicContact CG2-CD1 3.85Å; I1023-L1025 HydrophobicContact CG2-CG 4.11Å; L1025-L1077 CarbonylContact O-C 3.55Å; L1025-L1077 WeakPolarHBondContact O-CA 3.44Å; L1025-L1077 WeakPolarHBondContact O-CB 3.47Å; L1025-L1077 WeakPolarHBondContact O-CD2 3.27Å; L1025-S1078 PolarHBondContact N-O 3.16Å; L1025-S1078 PolarHBondContact O-N 3.35Å; L1025-S1078 PolarHBondContact O-OG 3.19Å; L1025-V1080 HydrophobicContact CD1-CB 4.46Å; L1025-V1080 HydrophobicContact CD1-CG2 3.61Å
1026G69.7Low58.8Low0 Ų048.3 Ų48.30%026%0.259CS..EExtended strand (participates in β ladder)trans-173.5-164-18000000113.8I944 I945 T1072I944-G1026 WeakPolarHBondContact CG2-O 3.33Å; I945-G1026 VanDerWaalsContact CG1-C 3.49Å; I945-G1026 PolarHBondContact N-O 3.23Å; I945-G1026 PolarHBondContact O-N 2.9Å; G1026-T1072 WeakPolarHBondContact CA-OG1 3.41Å
1027I71.9Confident58.2Low7 Ų743.5 Ų43.54%0.03625%0.253CS..EExtended strand (participates in β ladder)trans-121.7137-175.7-50.1-179.9000109.8F915 I926 A928 I942 L1071 T1072F915-I1027 HydrophobicContact CB-CD1 4.11Å; I926-I1027 HydrophobicContact CG2-CD1 4.31Å; A928-I1027 HydrophobicContact CB-CD1 3.84Å; I942-I1027 HydrophobicContact CG2-CG2 3.55Å; I1027-L1071 HydrophobicContact CG2-CD1 4.09Å; I1027-L1071 WeakPolarHBondContact O-CB 3.33Å; I1027-L1071 PolarHBondContact O-N 3.34Å; I1027-T1072 PolarHBondContact N-OG1 3.19Å; I1027-T1072 VanDerWaalsContact N-OG1 3.12Å; I1027-T1072 PolarHBondContact O-N 3.47Å; I1027-T1072 PolarHBondContact O-OG1 3.25Å
1028G68.9Low57.5Low0 Ų049.6 Ų49.60%028%0.282CS..EExtended strand (participates in β ladder)trans-123.1161.2174.700000112.7C943 I1069C943-G1028 PolarHBondContact N-O 3.45Å; C943-G1028 PolarHBondContact O-N 3.21Å; G1028-I1069 CarbonylContact C-O 3.31Å; G1028-I1069 WeakPolarHBondContact CA-O 3.39Å
1029Y70.2Confident56.8Low32 Ų3252.9 Ų52.913%0.12529%0.29CS..EExtended strand (participates in β ladder)trans-117.7123.9172.9-180-89.7000109.8L837 L933 H941 L1031 I1068 I1069L837-Y1029 HydrophobicContact CD1-CD2 3.43Å; L837-Y1029 VanDerWaalsContact CD1-CD2 3.43Å; L837-Y1029 HydrophobicContact CD1-CE2 3.75Å; L837-Y1029 HydrophobicContact CD1-CG 4.04Å; L933-Y1029 HydrophobicContact CD1-CD2 4.29Å; L933-Y1029 HydrophobicContact CD1-CE2 3.81Å; L933-Y1029 HydrophobicContact CD2-CE2 4.35Å; H941-Y1029 HydrophobicContact CB-CD2 3.76Å; H941-Y1029 HydrophobicContact CB-CE2 3.29Å; H941-Y1029 AromaticContact CG-CE2 3.97Å; H941-Y1029 AromaticContact CG-CZ 3.94Å; H941-Y1029 CarbonylContact O-C 3.56Å; H941-Y1029 WeakPolarHBondContact O-CA 3.41Å; Y1029-L1031 HydrophobicContact CD1-CG 4.37Å; Y1029-L1031 HydrophobicContact CE1-CD2 3.89Å; Y1029-L1031 HydrophobicContact CE1-CG 4.03Å; Y1029-I1068 CarbonylContact O-C 3.58Å; Y1029-I1068 WeakPolarHBondContact O-CA 3.44Å; Y1029-I1069 PolarHBondContact N-O 3.09Å; Y1029-I1069 PolarHBondContact O-N 3.43Å
1030C67.1Low55.6Low3 Ų353.4 Ų53.42%0.0229%0.292CS..EExtended strand (participates in β ladder)trans-96.3119.8-177175.70000111H941 W978 S1066 I1068H941-C1030 PolarHBondContact ND1-O 3.27Å; H941-C1030 WeakPolarHBondContact O-CB 3.3Å; H941-C1030 PolarHBondContact O-N 2.86Å; W978-C1030 HydrophobicContact CH2-CB 3.49Å; W978-C1030 VanDerWaalsContact CH2-CB 3.49Å; W978-C1030 HydrophobicContact CZ2-CB 3.76Å; C1030-S1066 VanDerWaalsContact SG-CB 3.55Å; C1030-I1068 HydrophobicContact CB-CG1 4.46Å
1031L57.8Low54Low53 Ų5358.9 Ų58.928%0.27732%0.318SS..EExtended strand (participates in β ladder)trans-84.3126.5166.8-72.8158.3000109.8Y1029 L1067 I1069Y1029-L1031 HydrophobicContact CD1-CG 4.37Å; Y1029-L1031 HydrophobicContact CE1-CD2 3.89Å; Y1029-L1031 HydrophobicContact CE1-CG 4.03Å; L1031-L1067 HydrophobicContact CB-CB 4.4Å; L1031-L1067 HydrophobicContact CD1-CD2 4.09Å; L1031-L1067 PolarHBondContact N-O 3.32Å; L1031-L1067 VanDerWaalsContact N-O 3.09Å; L1031-I1069 HydrophobicContact CD1-CD1 3.81Å; L1031-I1069 HydrophobicContact CD1-CG1 4.42Å
1032Q53.5Low52.6Low77 Ų7766.8 Ų66.836%0.3636%0.36SS..PPolyproline II helixtrans-86.6148174.6-64.6-166.6-2.100110.4T1034 D1035Q1032-T1034 PolarHBondContact O-N 3.22Å; Q1032-T1034 VanDerWaalsContact O-N 3.16Å; Q1032-D1035 PolarHBondContact N-OD2 3.25Å; Q1032-D1035 PolarHBondContact O-N 3.4Å
1033P44.5Very low50.8Low84 Ų8471.6 Ų71.655%0.54539%0.39SS..G310 helixtrans-58.3-30.6-176.9-2735.7000114.3D1035 C1036P1033-D1035 VanDerWaalsContact C-N 3.28Å; P1033-D1035 PolarHBondContact O-N 3.4Å; P1033-C1036 PolarHBondContact O-N 3.03Å
1034T44.8Very low48.8Very low90 Ų9077 Ų7755%0.55243%0.428SS*.G310 helixtrans-58.9-35.5178.544.10000113.5Q1032 C1036 S1037Q1032-T1034 PolarHBondContact O-N 3.22Å; Q1032-T1034 VanDerWaalsContact O-N 3.16Å; T1034-C1036 PolarHBondContact O-N 2.97Å; T1034-S1037 WeakPolarHBondContact O-CB 3.45Å; T1034-S1037 PolarHBondContact O-N 3.19Å; T1034-S1037 PolarHBondContact O-OG 3.22Å
1035D41.7Very low46.5Very low74 Ų7486.5 Ų86.540%0.39647%0.465SS..G310 helixtrans-73.1-17.1-172.3-48.6-27.3000111.7H941 Q1032 P1033 S1037H941-D1035 IonicContact CE1-OD2 3.39Å; H941-D1035 PolarHBondContact CE1-OD2 3.35Å; Q1032-D1035 PolarHBondContact N-OD2 3.25Å; Q1032-D1035 PolarHBondContact O-N 3.4Å; P1033-D1035 VanDerWaalsContact C-N 3.28Å; P1033-D1035 PolarHBondContact O-N 3.4Å; D1035-S1037 VanDerWaalsContact C-N 3.29Å; D1035-S1037 PolarHBondContact O-N 2.95Å
1036C40Very low44.6Very low63 Ų6393.9 Ų93.943%0.42650%0.504SS..G310 helixtrans-80.8-4.7178-66.60000114P1033 T1034 F1038 M1039P1033-C1036 PolarHBondContact O-N 3.03Å; T1034-C1036 PolarHBondContact O-N 2.97Å; C1036-F1038 PolarHBondContact O-N 3.22Å; C1036-M1039 PolarHBondContact O-N 3.1Å
1037S33.6Very low42.5Very low80 Ų80102.2 Ų102.256%0.55954%0.543SS*.G310 helixtrans-64.8-33.6-175.853.30000114.1T1034 D1035 M1039 N1040T1034-S1037 WeakPolarHBondContact O-CB 3.45Å; T1034-S1037 PolarHBondContact O-N 3.19Å; T1034-S1037 PolarHBondContact O-OG 3.22Å; D1035-S1037 VanDerWaalsContact C-N 3.29Å; D1035-S1037 PolarHBondContact O-N 2.95Å; S1037-M1039 PolarHBondContact O-N 2.75Å; S1037-N1040 PolarHBondContact O-N 3.31Å
1038F37.9Very low40.6Very low185 Ų185108.7 Ų108.781%0.81158%0.578SS**G310 helixtrans-65-5.8179.9-92.4-87.7000115.4C1036C1036-F1038 PolarHBondContact O-N 3.22Å
1039M35.4Very low38.6Very low152 Ų152113.2 Ų113.275%0.74961%0.61SS**G310 helixtrans-95.86.1-178.9-81.2-85133.900114.3C1036 S1037C1036-M1039 PolarHBondContact O-N 3.1Å; S1037-M1039 PolarHBondContact O-N 2.75Å
1040N29Very low36.8Very low125 Ų125118.5 Ų118.567%0.66864%0.639SS**  trans-126.231.6-164.5-147.375.8000116S1037S1037-N1040 PolarHBondContact O-N 3.31Å
1041N25.6Very low35Very low161 Ų161127.6 Ų127.686%0.86167%0.674SS**  trans-113.692.6170.4-87.7-5.6000111.6
1042N33Very low33.7Very low168 Ų168132.1 Ų132.190%0.89869%0.693SS**  trans-160.6114.6145.4-109.1-14.9000108.2
1043T27Very low32.4Very low133 Ų133134.5 Ų134.582%0.81671%0.709SS**  trans-77.5144179.540.50000110.8
1044C28.6Very low31.6Very low127 Ų127137.3 Ų137.386%0.85872%0.724SS**  trans-131.5121.6167.3-162.20000108.3
1045Y25.6Very low30.9Very low199 Ų199139.4 Ų139.478%0.7873%0.732SS**  trans-71.4143.9176.7-75-102.8000110.6
1046N31.2Very low30.1Very low159 Ų159142.1 Ų142.185%0.8575%0.746SS**  -165.7160111.1-95.53.3000110.8
1047E25.7Very low29.6Very low175 Ų175147.7 Ų147.782%0.81877%0.765SS**  trans-75159.4178-60.9165.6128.800109.2
1048D31.5Very low29.4Very low142 Ų142155.1 Ų155.176%0.75978%0.781SS**  -155.213251.6-96.1-50.6000115.7
1049S27.7Very low28.9Very low96 Ų96153.6 Ų153.667%0.67178%0.782SS**  trans64.7126.8135.183.40000123.8
1050I31.4Very low28.5Very low143 Ų143153.8 Ų153.873%0.73378%0.78SS**  trans80.495.8138.9-62.1162.5000119.8
1051Y29.8Very low28.4Very low194 Ų194153.2 Ų153.276%0.76179%0.785SS**  37.9140.7125.5-55.2-56.4000122.1
1052H29.4Very low28.7Very low147 Ų147152.5 Ų152.568%0.68178%0.78SS**  cis-158.8154.3-0.1-130.8-57.3000111.3
1053N26.7Very low28.6Very low128 Ų128150.8 Ų150.868%0.68477%0.77SS**  trans56.997161-67.13.8000119
1054V28Very low28.9Very low143 Ų143151.2 Ų151.287%0.86777%0.767SS**  trans-112120.3154.7176.50000107.6
1055N29.7Very low29.5Very low134 Ų134150 Ų15072%0.71776%0.76SS**  trans-91.6121.1176.4-83.125.3000111.6
1056D26.5Very low30.5Very low131 Ų131142.5 Ų142.570%0.70174%0.737SS**  trans15.3116.3141.9-52.2-42.5000118.8
1057H27.9Very low31.6Very low179 Ų179140.3 Ų140.383%0.82972%0.724SS**SBendtrans-163.3-11140.5-111.647.8000115.4
1058W29.1Very low33.2Very low236 Ų236133.8 Ų133.889%0.89470%0.695SS**SBendtrans-112.2-7.7-170.4-80.159.8000116.6
1059N27.9Very low34.7Very low154 Ų154130.5 Ų130.582%0.82468%0.676SS**SBendtrans-93-1.1-177.2-80.8-14.5000115.4
1060H26.7Very low36.3Very low155 Ų155127.6 Ų127.672%0.71866%0.656SS**SBendtrans-93.1-0.1-171.1-103.7-68.4000116.3
1061C27.4Very low37.6Very low114 Ų114121.4 Ų121.477%0.7762%0.624SS**SBendtrans-110.611.7-167.6-61.70000116.1
1062I32.7Very low38.8Very low145 Ų145112.3 Ų112.374%0.74459%0.588SS**SBendtrans-125.9-7.1-172.6-62.8179.4000113.7
1063L30.6Very low39.9Very low133 Ų133107 Ų10770%0.69657%0.567SS**SBendtrans-104.5-11.1-175.6-82.2163.2000116
1064D32.8Very low41.4Very low141 Ų141102.6 Ų102.675%0.75454%0.543SS*.  trans-84.3-9.8-175.5-68.9-20.3000114.5S1066D1064-S1066 PolarHBondContact O-N 2.87Å
1065S40.5Very low42.7Very low101 Ų10198.1 Ų98.171%0.70652%0.517SS*.SBendtrans-80.299.8176.463.10000110.9L1067S1065-L1067 PolarHBondContact O-N 2.87Å
1066S48.2Very low43.8Very low42 Ų4294.6 Ų94.629%0.29450%0.498SS..  trans-55.7131.9173.3500000112C1030 D1064 I1068C1030-S1066 VanDerWaalsContact SG-CB 3.55Å; D1064-S1066 PolarHBondContact O-N 2.87Å; S1066-I1068 PolarHBondContact O-N 3.14Å; S1066-I1068 VanDerWaalsContact O-N 3.16Å
1067L53.5Low45.5Very low113 Ų11388.7 Ų88.759%0.59247%0.466SS*.EExtended strand (participates in β ladder)trans-82.4101.6-176.8-166.577.3000109.8L1031 S1065L1031-L1067 HydrophobicContact CB-CB 4.4Å; L1031-L1067 HydrophobicContact CD1-CD2 4.09Å; L1031-L1067 PolarHBondContact N-O 3.32Å; L1031-L1067 VanDerWaalsContact N-O 3.09Å; S1065-L1067 PolarHBondContact O-N 2.87Å
1068I59.8Low47Very low39 Ų3981.2 Ų81.220%0.243%0.434CS..EExtended strand (participates in β ladder)trans-90.8111.7-179.9-59177000110.2I945 H976 Y1029 C1030 S1066 P1070I945-I1068 HydrophobicContact CG2-CG2 3.87Å; H976-I1068 HydrophobicContact CB-CD1 3.54Å; H976-I1068 VanDerWaalsContact ND1-CD1 3.33Å; H976-I1068 WeakPolarHBondContact ND1-CD1 3.41Å; Y1029-I1068 CarbonylContact O-C 3.58Å; Y1029-I1068 WeakPolarHBondContact O-CA 3.44Å; C1030-I1068 HydrophobicContact CB-CG1 4.46Å; S1066-I1068 PolarHBondContact O-N 3.14Å; S1066-I1068 VanDerWaalsContact O-N 3.16Å; I1068-P1070 WeakPolarHBondContact O-CD 3.28Å
1069I62Low48.7Very low72 Ų7276 Ų7637%0.36942%0.418SS..EExtended strand (participates in β ladder)trans-86.3116.7172.4-60.5176.6000108.2G1028 Y1029 L1031 L1071G1028-I1069 CarbonylContact C-O 3.31Å; G1028-I1069 WeakPolarHBondContact CA-O 3.39Å; Y1029-I1069 PolarHBondContact N-O 3.09Å; Y1029-I1069 PolarHBondContact O-N 3.43Å; L1031-I1069 HydrophobicContact CD1-CD1 3.81Å; L1031-I1069 HydrophobicContact CD1-CG1 4.42Å; I1069-L1071 PolarHBondContact O-N 2.84Å
1070P60.9Low50.4Low36 Ų3669.5 Ų69.523%0.23438%0.383CS..EExtended strand (participates in β ladder)trans-67.6117175.227.3-33.6000110.8R605 I945 I1068 T1072R605-P1070 PolarHBondContact NH1-O 3.37Å; I945-P1070 HydrophobicContact CD1-CB 3.65Å; I1068-P1070 WeakPolarHBondContact O-CD 3.28Å; P1070-T1072 WeakPolarHBondContact CB-O 3.36Å
1071L59.4Low52.1Low12 Ų1268.4 Ų68.46%0.06338%0.376CS..SBendtrans-72.5-40.8174.7-60.9-176.4000109.9R605 A835 L837 I930 I1027 I1069R605-L1071 PolarHBondContact NH1-O 2.9Å; A835-L1071 HydrophobicContact CB-CB 4.25Å; A835-L1071 HydrophobicContact CB-CD1 4.08Å; A835-L1071 HydrophobicContact CB-CD2 4.26Å; A835-L1071 HydrophobicContact CB-CG 4.44Å; L837-L1071 HydrophobicContact CD1-CD2 4.49Å; L837-L1071 HydrophobicContact CD2-CD2 4.41Å; I930-L1071 HydrophobicContact CD1-CD1 4.36Å; I1027-L1071 HydrophobicContact CG2-CD1 4.09Å; I1027-L1071 WeakPolarHBondContact O-CB 3.33Å; I1027-L1071 PolarHBondContact O-N 3.34Å; I1069-L1071 PolarHBondContact O-N 2.84Å
1072T55.2Low53.8Low3 Ų364.3 Ų64.32%0.01835%0.347CS..SBendtrans-81119.7164.242.50000111.4V833 G1026 I1027 P1070 L1077V833-T1072 HydrophobicContact CB-CG2 4.22Å; V833-T1072 HydrophobicContact CG1-CG2 3.61Å; V833-T1072 HydrophobicContact CG2-CG2 3.55Å; G1026-T1072 WeakPolarHBondContact CA-OG1 3.41Å; I1027-T1072 PolarHBondContact N-OG1 3.19Å; I1027-T1072 VanDerWaalsContact N-OG1 3.12Å; I1027-T1072 PolarHBondContact O-N 3.47Å; I1027-T1072 PolarHBondContact O-OG1 3.25Å; P1070-T1072 WeakPolarHBondContact CB-O 3.36Å; T1072-L1077 VanDerWaalsContact OG1-CD2 3.29Å; T1072-L1077 WeakPolarHBondContact OG1-CD2 3.38Å
1073P53.6Low55Low35 Ų3562 Ų6223%0.22734%0.339CS..  trans-54.1141.6168.1-25.235000111.7P1075 L1076 L1077P1073-P1075 VanDerWaalsContact C-N 3.29Å; P1073-P1075 VanDerWaalsContact O-N 3.13Å; P1073-L1076 HydrophobicContact CB-CD1 4.45Å; P1073-L1076 HydrophobicContact CB-CG 4.45Å; P1073-L1076 HydrophobicContact CG-CD1 4.17Å; P1073-L1076 WeakPolarHBondContact O-CA 3.43Å; P1073-L1076 PolarHBondContact O-N 3.47Å; P1073-L1077 PolarHBondContact O-N 3.36Å
1074I58.1Low56.3Low37 Ų3758.7 Ų58.719%0.1933%0.325CS..G310 helixtrans-51.6-37-176.6-60.2175.4000113.8R947 I970 L974 L1076 L1077R947-I1074 VanDerWaalsContact NH1-CG2 3.33Å; I970-I1074 HydrophobicContact CG2-CD1 4.3Å; L974-I1074 HydrophobicContact CD1-CD1 3.93Å; L974-I1074 HydrophobicContact CD1-CG1 4.31Å; I1074-L1076 VanDerWaalsContact C-N 3.27Å; I1074-L1076 PolarHBondContact O-N 3.39Å; I1074-L1077 HydrophobicContact CB-CD1 4.47Å; I1074-L1077 HydrophobicContact CG2-CD1 4.15Å; I1074-L1077 WeakPolarHBondContact O-CD1 3.47Å; I1074-L1077 WeakPolarHBondContact O-CG 3.48Å
1075P54.7Low57.1Low48 Ų4858.6 Ų58.631%0.31234%0.335SS..G310 helixtrans-71.5-15.5176-19.734.3000115.1M568 P1073M568-P1075 HydrophobicContact CE-CB 3.93Å; M568-P1075 HydrophobicContact CE-CG 3.36Å; M568-P1075 HydrophobicContact SD-CB 4.03Å; M568-P1075 HydrophobicContact SD-CG 3.92Å; P1073-P1075 VanDerWaalsContact C-N 3.29Å; P1073-P1075 VanDerWaalsContact O-N 3.13Å
1076L52Low57.6Low61 Ų6156.5 Ų56.532%0.31932%0.323SS..G310 helixtrans-106.25.9-177.4-60.2-176.5000113.4L565 I831 P1073 I1074L565-L1076 HydrophobicContact CD1-CD1 4.29Å; L565-L1076 HydrophobicContact CD1-CD2 4.43Å; L565-L1076 HydrophobicContact CD2-CD1 3.94Å; L565-L1076 HydrophobicContact CD2-CD2 4.17Å; L565-L1076 HydrophobicContact CD2-CG 4.11Å; I831-L1076 HydrophobicContact CD1-CD2 4.29Å; P1073-L1076 HydrophobicContact CB-CD1 4.45Å; P1073-L1076 HydrophobicContact CB-CG 4.45Å; P1073-L1076 HydrophobicContact CG-CD1 4.17Å; P1073-L1076 WeakPolarHBondContact O-CA 3.43Å; P1073-L1076 PolarHBondContact O-N 3.47Å; I1074-L1076 VanDerWaalsContact C-N 3.27Å; I1074-L1076 PolarHBondContact O-N 3.39Å
1077L62.2Low57.3Low6 Ų660.5 Ų60.53%0.03135%0.348CS..SBendtrans-58.4138.2169.3-63.1173.3000110I945 R947 L974 D1024 L1025 T1072 P1073 I1074 K1079I945-L1077 HydrophobicContact CD1-CD2 4.04Å; I945-L1077 HydrophobicContact CG1-CD2 4.21Å; R947-L1077 HydrophobicContact CG-CD1 4.4Å; L974-L1077 HydrophobicContact CD2-CD1 4.47Å; D1024-L1077 HydrophobicContact CB-CB 3.77Å; D1024-L1077 HydrophobicContact CB-CD1 3.84Å; D1024-L1077 HydrophobicContact CB-CG 4.46Å; L1025-L1077 CarbonylContact O-C 3.55Å; L1025-L1077 WeakPolarHBondContact O-CA 3.44Å; L1025-L1077 WeakPolarHBondContact O-CB 3.47Å; L1025-L1077 WeakPolarHBondContact O-CD2 3.27Å; T1072-L1077 VanDerWaalsContact OG1-CD2 3.29Å; T1072-L1077 WeakPolarHBondContact OG1-CD2 3.38Å; P1073-L1077 PolarHBondContact O-N 3.36Å; I1074-L1077 HydrophobicContact CB-CD1 4.47Å; I1074-L1077 HydrophobicContact CG2-CD1 4.15Å; I1074-L1077 WeakPolarHBondContact O-CD1 3.47Å; I1074-L1077 WeakPolarHBondContact O-CG 3.48Å; L1077-K1079 PolarHBondContact O-N 3.18Å
1078S60.6Low56.7Low22 Ų2260.3 Ų60.315%0.15435%0.347CS..EExtended strand (participates in β ladder)trans-67.6119.8179560000110D1024 L1025D1024-S1078 WeakPolarHBondContact CA-O 3.32Å; L1025-S1078 PolarHBondContact N-O 3.16Å; L1025-S1078 PolarHBondContact O-N 3.35Å; L1025-S1078 PolarHBondContact O-OG 3.19Å
1079K64.2Low55.6Low128 Ų12865.9 Ų65.956%0.55738%0.377SS*.EExtended strand (participates in β ladder)trans-92.8119.6-175.3-60-162.9167.3-95.90110.9D1024 L1077D1024-K1079 WeakPolarHBondContact OD1-CE 3.34Å; D1024-K1079 WeakPolarHBondContact OD1-CG 3.44Å; D1024-K1079 IonicContact OD1-NZ 3.35Å; D1024-K1079 PolarHBondContact OD1-NZ 3.49Å; D1024-K1079 IonicContact OD2-NZ 3.04Å; D1024-K1079 PolarHBondContact OD2-NZ 3.11Å; L1077-K1079 PolarHBondContact O-N 3.18Å
1080V62.9Low54.1Low16 Ų1670.9 Ų70.910%0.09740%0.399CS..EExtended strand (participates in β ladder)trans-111.4112.3179.9-170.40000107.9I924 T1022 I1023 L1025 L1082I924-V1080 HydrophobicContact CD1-CB 4.5Å; I924-V1080 HydrophobicContact CD1-CG1 4.2Å; I924-V1080 HydrophobicContact CD1-CG2 3.45Å; I924-V1080 VanDerWaalsContact CD1-CG2 3.45Å; I924-V1080 HydrophobicContact CG1-CG2 4.23Å; T1022-V1080 CarbonylContact C-O 3.56Å; T1022-V1080 VanDerWaalsContact CA-O 3.27Å; T1022-V1080 WeakPolarHBondContact CA-O 3.34Å; I1023-V1080 PolarHBondContact N-O 3.01Å; I1023-V1080 PolarHBondContact O-N 3.38Å; L1025-V1080 HydrophobicContact CD1-CB 4.46Å; L1025-V1080 HydrophobicContact CD1-CG2 3.61Å; V1080-L1082 HydrophobicContact CG1-CD2 3.7Å; V1080-L1082 HydrophobicContact CG1-CG 4Å
1081K63.2Low52.7Low132 Ų13277 Ų7757%0.57442%0.417SS*.EExtended strand (participates in β ladder)trans-92116.3169.4-173.8171.9-179.7176.60109.1S1020 T1022 V1083S1020-K1081 VanDerWaalsContact CB-CE 3.43Å; S1020-K1081 WeakPolarHBondContact OG-CE 3.41Å; S1020-K1081 PolarHBondContact OG-NZ 3.18Å; T1022-K1081 HydrophobicContact CG2-CB 4.03Å; T1022-K1081 HydrophobicContact CG2-CD 4.36Å; T1022-K1081 HydrophobicContact CG2-CG 3.96Å; K1081-V1083 HydrophobicContact CG-CG2 4.33Å
1082L62.3Low52.4Low28 Ų2880.3 Ų80.315%0.14744%0.435CS..EExtended strand (participates in β ladder)trans-98.9130.1178.5-60.3170.4000108.5I919 W1017 S1020 G1021 I1023 V1080I919-L1082 HydrophobicContact CG2-CD1 4.23Å; I919-L1082 HydrophobicContact CG2-CD2 4.34Å; W1017-L1082 HydrophobicContact CH2-CB 4.41Å; W1017-L1082 HydrophobicContact CH2-CD1 3.45Å; W1017-L1082 VanDerWaalsContact CH2-CD1 3.45Å; W1017-L1082 HydrophobicContact CZ3-CB 3.74Å; W1017-L1082 HydrophobicContact CZ3-CD1 3.61Å; W1017-L1082 HydrophobicContact CZ3-CG 4.3Å; S1020-L1082 CarbonylContact C-O 3.5Å; S1020-L1082 WeakPolarHBondContact CA-O 3.46Å; S1020-L1082 WeakPolarHBondContact CB-O 3.48Å; G1021-L1082 PolarHBondContact N-O 2.8Å; G1021-L1082 VanDerWaalsContact N-O 3.16Å; G1021-L1082 PolarHBondContact O-N 3.29Å; I1023-L1082 HydrophobicContact CD1-CD1 3.87Å; I1023-L1082 HydrophobicContact CG1-CD1 4.46Å; V1080-L1082 HydrophobicContact CG1-CD2 3.7Å; V1080-L1082 HydrophobicContact CG1-CG 4Å
1083V59.2Low52.3Low96 Ų9684.3 Ų84.358%0.58246%0.457SS*.  trans-123.5128.8-175.3-177.10000107.9K1081K1081-V1083 HydrophobicContact CG-CG2 4.33Å
1084P57.9Low52.2Low64 Ų6487.1 Ų87.142%0.41647%0.47SS..  trans-68.2132.3177.927.4-33.5000110.9A1086P1084-A1086 VanDerWaalsContact C-N 3.26Å; P1084-A1086 PolarHBondContact O-N 3.46Å
1085C49.4Very low51.8Low140 Ų14090 Ų9095%0.94649%0.486SS*.SBendtrans-77.4-0.6-173.8-61.30000115.1
1086A49.6Very low51.7Low57 Ų5792.6 Ų92.647%0.47150%0.497SS..SBendtrans-150.5140.3177.600000111.8P1084 I1088P1084-A1086 VanDerWaalsContact C-N 3.26Å; P1084-A1086 PolarHBondContact O-N 3.46Å; A1086-I1088 PolarHBondContact O-N 3.45Å
1087P43.7Very low51.6Low125 Ų12594.7 Ų94.781%0.81251%0.509SS*.  trans-81.791.7176.232.6-33.1000110.9N1089P1087-N1089 PolarHBondContact O-N 3.36Å
1088I40.9Very low50.9Low110 Ų110101.1 Ų101.156%0.56454%0.543SS*.  trans-89.3102.9176.2-57179.4000109.4A1086 Q1090A1086-I1088 PolarHBondContact O-N 3.45Å; I1088-Q1090 PolarHBondContact O-N 2.72Å
1089N35.2Very low50.1Low156 Ų156107.2 Ų107.283%0.83457%0.573SS**SBendtrans-76.957.2177.8-75.1-14.8000112.8P1087P1087-N1089 PolarHBondContact O-N 3.36Å
1090Q31.5Very low49Very low177 Ų177105.4 Ų105.483%0.82757%0.574SS**  trans177.8133.8161.2-101.1156.730.300110.4I1088I1088-Q1090 PolarHBondContact O-N 2.72Å
1091W31.9Very low47.7Very low164 Ų164113.5 Ų113.562%0.62162%0.618SS**  trans-1550179.7-85.290.9000111.5R1016R1016-W1091 HydrophobicContact CB-CE3 4.36Å; R1016-W1091 HydrophobicContact CG-CE3 3.99Å; R1016-W1091 VanDerWaalsContact CZ-OXT 3.3Å; R1016-W1091 PolarHBondContact NE-OXT 3.26Å; R1016-W1091 PolarHBondContact NH2-OXT 3.46Å

Retrieved 1,091 of 1,091 residues in 274 ms (Link to these results)

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